A0A061IJ15_CRIGR Loading...

Afamin

AlphaFold DB , UniProt , Accession A0A061IJ15, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Afm, Length 608 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29.7	Very low	29	Very low	241 Å²	241	143 Å²	143	100%	1.187	67%	0.67	S	S	*	*				0	124.5	0	-77	179.7	-104.7	0	0	107.7
2	K	26.7	Very low	29.2	Very low	205 Å²	205	138.8 Å²	138.8	89%	0.891	65%	0.649	S	S	*	*			trans	82.8	80.6	-153.2	-64.8	-174.9	175.5	-179.7	0	113.5
3	H	25.2	Very low	29.1	Very low	185 Å²	185	137 Å²	137	86%	0.856	65%	0.645	S	S	*	*			trans	171.5	148.3	150.6	-89.7	-63.4	0	0	0	104.8
4	I	27	Very low	28.8	Very low	166 Å²	166	138.4 Å²	138.4	85%	0.851	65%	0.648	S	S	*	*			trans	93.4	77.3	-169.4	-46.6	158.8	0	0	0	112.8
5	K	24.7	Very low	28.7	Very low	205 Å²	205	135.7 Å²	135.7	89%	0.891	65%	0.651	S	S	*	*			trans	-147.5	70.2	156.5	-81.2	-161.3	177.3	-169.4	0	107.7
6	F	27.5	Very low	28.5	Very low	159 Å²	159	135.6 Å²	135.6	70%	0.697	65%	0.654	S	S	*	*			trans	-151.2	141.9	171.1	-106.1	-89.6	0	0	0	104.7
7	I	30.1	Very low	28.4	Very low	101 Å²	101	135 Å²	135	52%	0.518	66%	0.661	S	S	.	*	S	Bend	trans	100.4	62	-170.8	-48.6	153.4	0	0	0	112.1	T459 T460	I7-T459 HydrophobicContact CG2-CG2 4.34Å; I7-T460 WeakPolarHBondContact O-CA 3.34Å
8	G	25.7	Very low	28	Very low	12 Å²	12	138.2 Å²	138.2	12%	0.124	67%	0.674	C	S	.	*	S	Bend	trans	-163.4	23.8	166.3	0	0	0	0	0	113	T460 L464	G8-T460 WeakPolarHBondContact CA-O 3.47Å; G8-L464 WeakPolarHBondContact O-CD1 3.33Å
9	F	32.8	Very low	28	Very low	112 Å²	112	136.4 Å²	136.4	49%	0.491	68%	0.676	S	S	.	*			trans	-154.1	63.6	-152.5	-94.2	-93.2	0	0	0	110.1	F12 L13 L464	F9-F12 HydrophobicContact CD1-CB 3.19Å; F9-F12 HydrophobicContact CD1-CG 4.36Å; F9-F12 VanDerWaalsContact CD1-O 3.26Å; F9-F12 WeakPolarHBondContact CD1-O 3.41Å; F9-F12 HydrophobicContact CE1-CB 3.28Å; F9-F12 HydrophobicContact CE1-CG 4.06Å; F9-F12 HydrophobicContact CG-CB 4.45Å; F9-L13 HydrophobicContact CD1-CD1 4.19Å; F9-L13 HydrophobicContact CD1-CG 4.43Å; F9-L13 HydrophobicContact CE1-CD1 3.99Å; F9-L13 HydrophobicContact CE1-CG 4.44Å; F9-L464 HydrophobicContact CE2-CD2 4.32Å
10	I	33.8	Very low	27.8	Very low	63 Å²	63	138.2 Å²	138.2	32%	0.323	69%	0.688	S	S	.	*	S	Bend	trans	-91.6	-0.9	163.1	-65.3	-178.8	0	0	0	111.4	Q211 A215	I10-Q211 HydrophobicContact CD1-CG 3.55Å; I10-Q211 VanDerWaalsContact CD1-NE2 3.34Å; I10-Q211 HydrophobicContact CG1-CG 4.2Å; I10-A215 HydrophobicContact CD1-CB 4.03Å; I10-A215 HydrophobicContact CG2-CB 3.96Å
11	F	35.4	Very low	27.7	Very low	124 Å²	124	135.9 Å²	135.9	54%	0.544	69%	0.691	S	S	.	*	S	Bend	trans	-115.7	8.6	170.3	-88.6	-72.1	0	0	0	115.7	I315 N318	F11-I315 WeakPolarHBondContact CE1-O 3.34Å; F11-N318 PolarHBondContact O-OD1 2.98Å
12	F	31.8	Very low	27.9	Very low	93 Å²	93	132.2 Å²	132.2	41%	0.408	68%	0.675	S	S	.	*	S	Bend	trans	-152.7	144.2	175.5	-91.5	-105.9	0	0	0	109.2	F9 N318	F9-F12 HydrophobicContact CD1-CB 3.19Å; F9-F12 HydrophobicContact CD1-CG 4.36Å; F9-F12 VanDerWaalsContact CD1-O 3.26Å; F9-F12 WeakPolarHBondContact CD1-O 3.41Å; F9-F12 HydrophobicContact CE1-CB 3.28Å; F9-F12 HydrophobicContact CE1-CG 4.06Å; F9-F12 HydrophobicContact CG-CB 4.45Å; F12-N318 HydrophobicContact CD1-CB 4.25Å; F12-N318 WeakPolarHBondContact CD1-ND2 3.08Å; F12-N318 WeakPolarHBondContact CD1-OD1 3.33Å; F12-N318 HydrophobicContact CD2-CB 4.25Å; F12-N318 WeakPolarHBondContact CD2-OD1 3.42Å; F12-N318 HydrophobicContact CE1-CB 3.59Å; F12-N318 WeakPolarHBondContact CE1-ND2 3.38Å; F12-N318 WeakPolarHBondContact CE1-OD1 3.49Å; F12-N318 HydrophobicContact CE2-CB 3.53Å; F12-N318 VanDerWaalsContact CE2-OD1 3.25Å; F12-N318 WeakPolarHBondContact CE2-OD1 3.03Å; F12-N318 WeakPolarHBondContact CG-OD1 3.32Å; F12-N318 HydrophobicContact CZ-CB 3.17Å; F12-N318 WeakPolarHBondContact CZ-OD1 3.44Å
13	L	27.4	Very low	28.3	Very low	115 Å²	115	127.7 Å²	127.7	60%	0.602	67%	0.667	S	S	*	*			trans	73	80.9	166.9	-55.8	170.7	0	0	0	119.1	F9	F9-L13 HydrophobicContact CD1-CD1 4.19Å; F9-L13 HydrophobicContact CD1-CG 4.43Å; F9-L13 HydrophobicContact CE1-CD1 3.99Å; F9-L13 HydrophobicContact CE1-CG 4.44Å
14	F	25.2	Very low	28.5	Very low	156 Å²	156	124.6 Å²	124.6	68%	0.684	66%	0.661	S	S	*	*				-130.9	88.7	125.4	-85	-77.9	0	0	0	108.9	L16 P208	F14-L16 PolarHBondContact O-N 3.31Å; F14-P208 HydrophobicContact CE2-CB 4.21Å; F14-P208 HydrophobicContact CZ-CB 4.28Å
15	S	27.1	Very low	28.6	Very low	99 Å²	99	125.7 Å²	125.7	69%	0.692	66%	0.659	S	S	*	*			trans	-85.1	98.1	156.9	-53.5	0	0	0	0	106.5	T17	S15-T17 VanDerWaalsContact C-N 3.32Å; S15-T17 PolarHBondContact O-N 3.25Å; S15-T17 VanDerWaalsContact O-N 3.11Å
16	L	26.2	Very low	29.2	Very low	134 Å²	134	121.7 Å²	121.7	70%	0.702	65%	0.654	S	S	*	*			trans	-72.8	95.2	161.1	-83.6	160.5	0	0	0	106.9	F14	F14-L16 PolarHBondContact O-N 3.31Å
17	T	26.2	Very low	29.7	Very low	125 Å²	125	122.3 Å²	122.3	77%	0.767	66%	0.659	S	S	*	*			trans	-78.9	111.5	160.1	51.5	0	0	0	0	107.9	S15	S15-T17 VanDerWaalsContact C-N 3.32Å; S15-T17 PolarHBondContact O-N 3.25Å; S15-T17 VanDerWaalsContact O-N 3.11Å
18	E	22	Very low	30.1	Very low	193 Å²	193	126 Å²	126	90%	0.902	68%	0.68	S	S	*	*				-159.9	142.4	126.2	-111	176.3	-165	0	0	111.3
19	S	26.9	Very low	31.4	Very low	103 Å²	103	129.1 Å²	129.1	72%	0.72	70%	0.696	S	S	*	*			trans	-65	150.9	-169.4	57.4	0	0	0	0	114.1
20	L	23.9	Very low	33.1	Very low	172 Å²	172	128 Å²	128	90%	0.901	70%	0.696	S	S	*	*				-164.5	112.7	127.1	-98.5	151.9	0	0	0	110.7
21	A	26.2	Very low	34.7	Very low	91 Å²	91	127.7 Å²	127.7	75%	0.752	70%	0.698	S	S	*	*			trans	35.7	110.4	157.9	0	0	0	0	0	120.8
22	L	33.4	Very low	36.5	Very low	163 Å²	163	129 Å²	129	85%	0.853	70%	0.704	S	S	*	*			trans	-55.9	145.8	149	-97.2	116.3	0	0	0	111.1
23	P	36.2	Very low	38.9	Very low	111 Å²	111	131 Å²	131	72%	0.721	71%	0.71	S	S	*	*				-137.8	163.1	76.8	38.5	-22.5	0	0	0	111.6
24	T	29.3	Very low	41.8	Very low	119 Å²	119	127.3 Å²	127.3	73%	0.73	70%	0.695	S	S	*	*			cis	-173.3	161.2	45.3	-30.7	0	0	0	0	106.3
25	K	29.6	Very low	44.8	Very low	190 Å²	190	120.3 Å²	120.3	83%	0.826	67%	0.665	S	S	*	*			trans	-26.5	138	174.2	-83.9	178.9	170.4	-178.8	0	115.1	Q27	K25-Q27 PolarHBondContact O-N 3.24Å; K25-Q27 VanDerWaalsContact O-N 3.08Å
26	P	37.4	Very low	47.7	Very low	120 Å²	120	118.4 Å²	118.4	78%	0.779	65%	0.645	S	S	*	*			trans	-60	118.1	169.3	-9.9	23.5	0	0	0	108.5	D28	P26-D28 PolarHBondContact O-N 3.03Å
27	Q	36.8	Very low	50.8	Low	173 Å²	173	116.3 Å²	116.3	81%	0.808	63%	0.63	S	S	*	*			trans	-62	132.7	158.3	-86.6	173.2	-34.5	0	0	106.8	K25 V29	K25-Q27 PolarHBondContact O-N 3.24Å; K25-Q27 VanDerWaalsContact O-N 3.08Å; Q27-V29 HydrophobicContact CB-CG2 4.29Å; Q27-V29 PolarHBondContact O-N 3.16Å
28	D	39.4	Very low	54	Low	177 Å²	177	111.6 Å²	111.6	95%	0.947	60%	0.599	S	S	*	*			trans	-59.1	82.6	167.5	-81.3	-41.7	0	0	0	109.1	P26	P26-D28 PolarHBondContact O-N 3.03Å
29	V	52.6	Low	57.4	Low	78 Å²	78	103 Å²	103	47%	0.473	56%	0.559	S	S	.	*			trans	-87.4	123.5	169.7	-179.6	0	0	0	0	106.4	Q27 P31 Y33 A34	Q27-V29 HydrophobicContact CB-CG2 4.29Å; Q27-V29 PolarHBondContact O-N 3.16Å; V29-P31 WeakPolarHBondContact O-CD 3.42Å; V29-P31 VanDerWaalsContact O-N 3.11Å; V29-Y33 HydrophobicContact CG1-CD1 3.91Å; V29-A34 HydrophobicContact CG1-CB 4.13Å
30	D	69.1	Low	60.4	Low	89 Å²	89	100.3 Å²	100.3	48%	0.476	54%	0.535	S	S	.	.			trans	-48.2	118.5	173.5	175.8	3.5	0	0	0	110	F32 Y33 A34	D30-F32 PolarHBondContact O-N 2.71Å; D30-F32 VanDerWaalsContact O-N 3.12Å; D30-F32 WeakPolarHBondContact OD1-CB 3.43Å; D30-F32 WeakPolarHBondContact OD1-CD2 3.41Å; D30-F32 PolarHBondContact OD1-N 2.92Å; D30-Y33 WeakPolarHBondContact O-CB 3.1Å; D30-Y33 PolarHBondContact O-N 3.41Å; D30-A34 PolarHBondContact O-N 2.05Å
31	P	66.9	Low	63.7	Low	57 Å²	57	98 Å²	98	37%	0.37	52%	0.52	S	S	.	.	H	α-helix	trans	-56.3	-29.1	-178.8	-24.9	33.1	0	0	0	113.6	V29 T35 N286	V29-P31 WeakPolarHBondContact O-CD 3.42Å; V29-P31 VanDerWaalsContact O-N 3.11Å; P31-T35 WeakPolarHBondContact O-CB 3.24Å; P31-T35 PolarHBondContact O-N 3.12Å; P31-T35 VanDerWaalsContact O-N 3.08Å; P31-T35 PolarHBondContact O-OG1 2.75Å; P31-N286 VanDerWaalsContact CB-ND2 3.32Å; P31-N286 WeakPolarHBondContact CB-ND2 3.39Å
32	F	73.6	Confident	66.9	Low	151 Å²	151	95.1 Å²	95.1	66%	0.662	49%	0.492	S	S	*	.	H	α-helix	trans	-68.6	-44.3	174.9	-69.7	-78	0	0	0	111.5	D30 T35 H36	D30-F32 PolarHBondContact O-N 2.71Å; D30-F32 VanDerWaalsContact O-N 3.12Å; D30-F32 WeakPolarHBondContact OD1-CB 3.43Å; D30-F32 WeakPolarHBondContact OD1-CD2 3.41Å; D30-F32 PolarHBondContact OD1-N 2.92Å; F32-T35 PolarHBondContact O-N 3.2Å; F32-H36 WeakPolarHBondContact O-CB 3.47Å; F32-H36 PolarHBondContact O-N 3.3Å
33	Y	82.5	Confident	69.9	Low	136 Å²	136	88 Å²	88	53%	0.533	46%	0.455	S	S	.	.	H	α-helix	trans	-62.8	-44.4	175.4	178.4	-98.5	0	0	0	111.9	V29 D30 T35 H36 K37	V29-Y33 HydrophobicContact CG1-CD1 3.91Å; D30-Y33 WeakPolarHBondContact O-CB 3.1Å; D30-Y33 PolarHBondContact O-N 3.41Å; Y33-T35 VanDerWaalsContact C-N 3.32Å; Y33-T35 PolarHBondContact O-N 3.33Å; Y33-H36 PolarHBondContact O-N 2.89Å; Y33-K37 HydrophobicContact CE1-CD 4.35Å; Y33-K37 WeakPolarHBondContact O-CB 3.4Å; Y33-K37 PolarHBondContact O-N 2.87Å
34	A	86.9	Confident	72.7	Confident	36 Å²	36	83.7 Å²	83.7	30%	0.298	43%	0.429	S	S	.	.	H	α-helix	trans	-60.8	-40.6	177.4	0	0	0	0	0	112.2	V29 D30 F38	V29-A34 HydrophobicContact CG1-CB 4.13Å; D30-A34 PolarHBondContact O-N 2.05Å; A34-F38 WeakPolarHBondContact O-CB 3.31Å; A34-F38 PolarHBondContact O-N 3.01Å
35	T	89.6	Confident	75.9	Confident	9 Å²	9	79.8 Å²	79.8	6%	0.055	40%	0.401	C	S	.	.	H	α-helix	trans	-66.1	-43.9	176.3	-53.3	0	0	0	0	111.7	P31 F32 Y33 F38 I39 I278 R279 S282 M307	P31-T35 WeakPolarHBondContact O-CB 3.24Å; P31-T35 PolarHBondContact O-N 3.12Å; P31-T35 VanDerWaalsContact O-N 3.08Å; P31-T35 PolarHBondContact O-OG1 2.75Å; F32-T35 PolarHBondContact O-N 3.2Å; Y33-T35 VanDerWaalsContact C-N 3.32Å; Y33-T35 PolarHBondContact O-N 3.33Å; T35-F38 PolarHBondContact O-N 2.71Å; T35-I39 HydrophobicContact CG2-CD1 4.1Å; T35-I39 WeakPolarHBondContact O-CD1 3.32Å; T35-I39 WeakPolarHBondContact O-CG1 3.41Å; T35-I39 PolarHBondContact O-N 3.07Å; T35-I39 VanDerWaalsContact O-N 3.1Å; T35-I278 HydrophobicContact CG2-CG2 4.35Å; T35-R279 HydrophobicContact CG2-CG 4.24Å; T35-S282 WeakPolarHBondContact OG1-CB 3.07Å; T35-S282 PolarHBondContact OG1-OG 2.94Å; T35-M307 VanDerWaalsContact CA-CE 3.43Å; T35-M307 HydrophobicContact CG2-CE 4.38Å; T35-M307 HydrophobicContact CG2-SD 4.43Å; T35-M307 WeakPolarHBondContact OG1-CE 3.14Å
36	H	87.9	Confident	79.1	Confident	59 Å²	59	70.9 Å²	70.9	27%	0.273	36%	0.363	S	S	.	.	H	α-helix	trans	-61.3	-48.7	177.7	-176.7	36.5	0	0	0	111.6	F32 Y33 F38 I39 E40 R81	F32-H36 WeakPolarHBondContact O-CB 3.47Å; F32-H36 PolarHBondContact O-N 3.3Å; Y33-H36 PolarHBondContact O-N 2.89Å; H36-F38 VanDerWaalsContact C-N 3.34Å; H36-F38 PolarHBondContact O-N 3.46Å; H36-I39 PolarHBondContact O-N 3.35Å; H36-E40 IonicContact CD2-OE1 3.55Å; H36-E40 IonicContact CE1-OE1 2.66Å; H36-E40 PolarHBondContact CE1-OE1 3Å; H36-E40 IonicContact CG-OE1 3.84Å; H36-E40 IonicContact ND1-OE1 3.22Å; H36-E40 IonicContact NE2-OE1 2.97Å; H36-E40 PolarHBondContact NE2-OE1 3.02Å; H36-E40 WeakPolarHBondContact O-CG 2.99Å; H36-E40 PolarHBondContact O-N 2.99Å; H36-R81 PolarHBondContact NE2-NH2 3.12Å
37	K	91.4	Very high	82	Confident	90 Å²	90	65.3 Å²	65.3	39%	0.391	33%	0.327	S	S	.	.	H	α-helix	trans	-59.4	-43.7	177	-179.2	173.7	173.6	176.8	0	112	Y33 I39 E40 E41	Y33-K37 HydrophobicContact CE1-CD 4.35Å; Y33-K37 WeakPolarHBondContact O-CB 3.4Å; Y33-K37 PolarHBondContact O-N 2.87Å; K37-I39 VanDerWaalsContact C-N 3.32Å; K37-I39 PolarHBondContact O-N 3.47Å; K37-E40 WeakPolarHBondContact O-CB 3.33Å; K37-E40 PolarHBondContact O-N 3.27Å; K37-E41 WeakPolarHBondContact CE-OE1 3.35Å; K37-E41 HydrophobicContact CG-CG 4.41Å; K37-E41 IonicContact NZ-OE1 3.92Å; K37-E41 WeakPolarHBondContact O-CG 3.43Å; K37-E41 PolarHBondContact O-N 3.43Å
38	F	92.4	Very high	84.9	Confident	26 Å²	26	57.2 Å²	57.2	11%	0.114	29%	0.288	C	S	.	.	H	α-helix	trans	-58.7	-42.5	176.5	-179.8	-96.4	0	0	0	112.3	A34 T35 H36 N42 L179 I278 M307 P308	A34-F38 WeakPolarHBondContact O-CB 3.31Å; A34-F38 PolarHBondContact O-N 3.01Å; T35-F38 PolarHBondContact O-N 2.71Å; H36-F38 VanDerWaalsContact C-N 3.34Å; H36-F38 PolarHBondContact O-N 3.46Å; F38-N42 WeakPolarHBondContact CE2-ND2 3.32Å; F38-N42 WeakPolarHBondContact O-CB 3.29Å; F38-N42 PolarHBondContact O-N 3Å; F38-N42 VanDerWaalsContact O-N 3.08Å; F38-N42 PolarHBondContact O-ND2 3.41Å; F38-L179 HydrophobicContact CE1-CD1 3.68Å; F38-L179 HydrophobicContact CZ-CD1 3.83Å; F38-I278 HydrophobicContact CD1-CG2 4.1Å; F38-I278 HydrophobicContact CE1-CD1 4.35Å; F38-I278 HydrophobicContact CE1-CG2 4.33Å; F38-M307 HydrophobicContact CB-CE 4.21Å; F38-M307 HydrophobicContact CD2-CB 4.08Å; F38-M307 HydrophobicContact CE2-CB 4.18Å; F38-M307 HydrophobicContact CG-CB 4.25Å; F38-M307 HydrophobicContact CZ-CB 4.43Å; F38-P308 HydrophobicContact CZ-CB 4.32Å; F38-P308 HydrophobicContact CZ-CG 4.31Å
39	I	92.9	Very high	87.7	Confident	12 Å²	12	48.8 Å²	48.8	6%	0.062	24%	0.243	C	C	.	.	H	α-helix	trans	-65.2	-42.1	176.6	-68.9	162.1	0	0	0	111.2	T35 H36 K37 N42 T43 L46 V275 I278 R279	T35-I39 HydrophobicContact CG2-CD1 4.1Å; T35-I39 WeakPolarHBondContact O-CD1 3.32Å; T35-I39 WeakPolarHBondContact O-CG1 3.41Å; T35-I39 PolarHBondContact O-N 3.07Å; T35-I39 VanDerWaalsContact O-N 3.1Å; H36-I39 PolarHBondContact O-N 3.35Å; K37-I39 VanDerWaalsContact C-N 3.32Å; K37-I39 PolarHBondContact O-N 3.47Å; I39-N42 CarbonylContact O-C 3.5Å; I39-N42 PolarHBondContact O-N 3.46Å; I39-T43 PolarHBondContact O-N 3.47Å; I39-T43 PolarHBondContact O-OG1 3.3Å; I39-L46 HydrophobicContact CB-CD1 4.5Å; I39-L46 HydrophobicContact CG2-CD1 4.03Å; I39-V275 HydrophobicContact CD1-CG1 4.14Å; I39-V275 HydrophobicContact CG2-CG1 3.95Å; I39-I278 HydrophobicContact CD1-CG2 4.07Å; I39-I278 HydrophobicContact CG1-CB 4.42Å; I39-I278 HydrophobicContact CG1-CG2 3.84Å; I39-R279 HydrophobicContact CD1-CG 3.48Å; I39-R279 VanDerWaalsContact CD1-CG 3.48Å
40	E	91	Very high	89.9	Confident	47 Å²	47	45 Å²	45	22%	0.22	22%	0.221	C	C	.	.	H	α-helix	trans	-61.6	-45.2	177.7	-71	175.2	170.1	0	0	112	H36 K37 N42 T43 R74 L78 R81	H36-E40 IonicContact CD2-OE1 3.55Å; H36-E40 IonicContact CE1-OE1 2.66Å; H36-E40 PolarHBondContact CE1-OE1 3Å; H36-E40 IonicContact CG-OE1 3.84Å; H36-E40 IonicContact ND1-OE1 3.22Å; H36-E40 IonicContact NE2-OE1 2.97Å; H36-E40 PolarHBondContact NE2-OE1 3.02Å; H36-E40 WeakPolarHBondContact O-CG 2.99Å; H36-E40 PolarHBondContact O-N 2.99Å; K37-E40 WeakPolarHBondContact O-CB 3.33Å; K37-E40 PolarHBondContact O-N 3.27Å; E40-N42 VanDerWaalsContact C-N 3.28Å; E40-N42 PolarHBondContact O-N 2.77Å; E40-T43 PolarHBondContact O-N 3.43Å; E40-T43 PolarHBondContact O-OG1 3.08Å; E40-T43 VanDerWaalsContact O-OG1 3.07Å; E40-R74 PolarHBondContact O-NH1 3.48Å; E40-L78 VanDerWaalsContact OE1-CD2 3.28Å; E40-L78 WeakPolarHBondContact OE1-CD2 3.3Å; E40-R81 IonicContact OE1-NH2 2.79Å
41	E	92.4	Very high	91.3	Very high	125 Å²	125	40.9 Å²	40.9	58%	0.584	20%	0.199	S	C	*	.	H	α-helix	trans	-65.9	-30.4	178	-71.6	173.6	166.1	0	0	112.1	K37	K37-E41 WeakPolarHBondContact CE-OE1 3.35Å; K37-E41 HydrophobicContact CG-CG 4.41Å; K37-E41 IonicContact NZ-OE1 3.92Å; K37-E41 WeakPolarHBondContact O-CG 3.43Å; K37-E41 PolarHBondContact O-N 3.43Å
42	N	94.3	Very high	92.8	Very high	30 Å²	30	38.2 Å²	38.2	16%	0.16	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.1	16.1	-177	-69.3	-84.8	0	0	0	114.1	F38 I39 E40 A44 Y45 L46	F38-N42 WeakPolarHBondContact CE2-ND2 3.32Å; F38-N42 WeakPolarHBondContact O-CB 3.29Å; F38-N42 PolarHBondContact O-N 3Å; F38-N42 VanDerWaalsContact O-N 3.08Å; F38-N42 PolarHBondContact O-ND2 3.41Å; I39-N42 CarbonylContact O-C 3.5Å; I39-N42 PolarHBondContact O-N 3.46Å; E40-N42 VanDerWaalsContact C-N 3.28Å; E40-N42 PolarHBondContact O-N 2.77Å; N42-A44 PolarHBondContact O-N 2.99Å; N42-Y45 PolarHBondContact O-N 3.16Å; N42-L46 WeakPolarHBondContact O-CG 2.7Å; N42-L46 PolarHBondContact O-N 3.45Å
43	T	95	Very high	93.9	Very high	12 Å²	12	31.2 Å²	31.2	7%	0.074	15%	0.151	C	C	.	.	H	α-helix	trans	-56.3	-37.5	-175.7	-66.2	0	0	0	0	112.8	I39 E40 L46 T47 M70 M71 R74	I39-T43 PolarHBondContact O-N 3.47Å; I39-T43 PolarHBondContact O-OG1 3.3Å; E40-T43 PolarHBondContact O-N 3.43Å; E40-T43 PolarHBondContact O-OG1 3.08Å; E40-T43 VanDerWaalsContact O-OG1 3.07Å; T43-L46 PolarHBondContact O-N 2.98Å; T43-T47 WeakPolarHBondContact O-CB 3.39Å; T43-T47 PolarHBondContact O-N 2.94Å; T43-T47 PolarHBondContact O-OG1 3.46Å; T43-M70 HydrophobicContact CG2-CE 4.41Å; T43-M70 HydrophobicContact CG2-CG 3.82Å; T43-M71 HydrophobicContact CG2-SD 3.97Å; T43-R74 HydrophobicContact CG2-CB 4.42Å
44	A	95.8	Very high	94.6	Very high	21 Å²	21	24.7 Å²	24.7	17%	0.174	13%	0.125	C	C	.	.	H	α-helix	trans	-62.2	-52.8	176.9	0	0	0	0	0	112	N42 L46 T47 I48 V67 M71	N42-A44 PolarHBondContact O-N 2.99Å; A44-L46 VanDerWaalsContact C-N 3.3Å; A44-L46 PolarHBondContact O-N 3.04Å; A44-T47 PolarHBondContact O-N 3.45Å; A44-I48 WeakPolarHBondContact O-CG1 3.11Å; A44-I48 PolarHBondContact O-N 3.48Å; A44-V67 HydrophobicContact CB-CG1 3.83Å; A44-M71 HydrophobicContact CB-SD 4.3Å
45	Y	96.6	Very high	95.1	Very high	38 Å²	38	23 Å²	23	15%	0.149	11%	0.111	C	C	.	.	H	α-helix	trans	-59.2	-41	177.1	-73	-51.9	0	0	0	112.4	N42 T47 I48 I49 L159 N160 M163 L179	N42-Y45 PolarHBondContact O-N 3.16Å; Y45-T47 VanDerWaalsContact C-N 3.32Å; Y45-T47 PolarHBondContact O-N 3.17Å; Y45-I48 HydrophobicContact CD1-CD1 4.48Å; Y45-I48 WeakPolarHBondContact O-CB 2.81Å; Y45-I48 PolarHBondContact O-N 3.37Å; Y45-I49 WeakPolarHBondContact O-CB 3.39Å; Y45-I49 WeakPolarHBondContact O-CG1 3.29Å; Y45-I49 PolarHBondContact O-N 3.36Å; Y45-L159 HydrophobicContact CE1-CB 4.18Å; Y45-L159 WeakPolarHBondContact OH-CB 3.35Å; Y45-L159 WeakPolarHBondContact OH-CD1 3.18Å; Y45-N160 WeakPolarHBondContact CE1-OD1 3.4Å; Y45-M163 HydrophobicContact CD1-CB 4.02Å; Y45-M163 HydrophobicContact CD1-CE 4.48Å; Y45-M163 HydrophobicContact CD1-CG 4.03Å; Y45-M163 HydrophobicContact CE1-CB 4.3Å; Y45-L179 HydrophobicContact CD2-CD2 4.24Å; Y45-L179 HydrophobicContact CG-CD2 4.23Å
46	L	97.1	Very high	95.4	Very high	3 Å²	3	22.6 Å²	22.6	2%	0.016	11%	0.109	C	C	.	.	H	α-helix	trans	-65.5	-38.4	179.6	-65.5	172.4	0	0	0	112.4	I39 N42 T43 A44 I49 A50 L179 V274 V275 I278	I39-L46 HydrophobicContact CB-CD1 4.5Å; I39-L46 HydrophobicContact CG2-CD1 4.03Å; N42-L46 WeakPolarHBondContact O-CG 2.7Å; N42-L46 PolarHBondContact O-N 3.45Å; T43-L46 PolarHBondContact O-N 2.98Å; A44-L46 VanDerWaalsContact C-N 3.3Å; A44-L46 PolarHBondContact O-N 3.04Å; L46-I49 PolarHBondContact O-N 3.25Å; L46-A50 WeakPolarHBondContact O-CB 3.48Å; L46-A50 PolarHBondContact O-N 3.22Å; L46-L179 HydrophobicContact CD2-CD1 4.25Å; L46-V274 HydrophobicContact CB-CG2 4.06Å; L46-V274 HydrophobicContact CD2-CB 4.23Å; L46-V274 HydrophobicContact CD2-CG2 4.27Å; L46-V275 HydrophobicContact CD1-CG2 4.36Å; L46-I278 HydrophobicContact CD1-CD1 3.8Å; L46-I278 HydrophobicContact CD2-CD1 3.25Å; L46-I278 HydrophobicContact CG-CD1 4.13Å
47	T	97.7	Very high	95.8	Very high	3 Å²	3	22.6 Å²	22.6	2%	0.018	11%	0.109	C	C	.	.	H	α-helix	trans	-64.5	-45.5	173.8	-50.5	0	0	0	0	110.7	T43 A44 Y45 I49 A50 V51 V67 M70	T43-T47 WeakPolarHBondContact O-CB 3.39Å; T43-T47 PolarHBondContact O-N 2.94Å; T43-T47 PolarHBondContact O-OG1 3.46Å; A44-T47 PolarHBondContact O-N 3.45Å; Y45-T47 VanDerWaalsContact C-N 3.32Å; Y45-T47 PolarHBondContact O-N 3.17Å; T47-I49 PolarHBondContact O-N 3.39Å; T47-A50 PolarHBondContact O-N 3.39Å; T47-V51 HydrophobicContact CG2-CG2 4.21Å; T47-V51 WeakPolarHBondContact O-CB 3.42Å; T47-V51 VanDerWaalsContact O-CG2 3.24Å; T47-V51 WeakPolarHBondContact O-CG2 3.28Å; T47-V51 PolarHBondContact O-N 3.38Å; T47-V67 HydrophobicContact CG2-CG2 4.06Å; T47-M70 HydrophobicContact CG2-CB 3.96Å; T47-M70 HydrophobicContact CG2-CG 4.35Å; T47-M70 VanDerWaalsContact OG1-CG 3.25Å; T47-M70 WeakPolarHBondContact OG1-CG 2.86Å
48	I	98.6	Very high	96	Very high	2 Å²	2	18.3 Å²	18.3	1%	0.01	9%	0.09	C	C	.	.	H	α-helix	trans	-57.4	-51.2	176.4	-68	163.5	0	0	0	110.5	A44 Y45 A52 V63 V67 N160 M163	A44-I48 WeakPolarHBondContact O-CG1 3.11Å; A44-I48 PolarHBondContact O-N 3.48Å; Y45-I48 HydrophobicContact CD1-CD1 4.48Å; Y45-I48 WeakPolarHBondContact O-CB 2.81Å; Y45-I48 PolarHBondContact O-N 3.37Å; I48-A52 WeakPolarHBondContact O-CB 3.4Å; I48-A52 PolarHBondContact O-N 3.36Å; I48-V63 HydrophobicContact CB-CG1 4.15Å; I48-V63 HydrophobicContact CG1-CG1 3.71Å; I48-V63 HydrophobicContact CG2-CG1 4.27Å; I48-V67 HydrophobicContact CD1-CG2 4.26Å; I48-V67 HydrophobicContact CG1-CG2 3.6Å; I48-N160 HydrophobicContact CD1-CB 3.53Å; I48-N160 WeakPolarHBondContact CD1-OD1 3.39Å; I48-M163 HydrophobicContact CB-CG 4.5Å; I48-M163 HydrophobicContact CG2-CB 4.19Å; I48-M163 HydrophobicContact CG2-CG 3.94Å
49	I	98.5	Very high	96.2	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-58	-54.5	-179.9	-67.8	163.4	0	0	0	109.9	Y45 L46 T47 V51 A52 Q53 M163 A167 L178 L179 V274	Y45-I49 WeakPolarHBondContact O-CB 3.39Å; Y45-I49 WeakPolarHBondContact O-CG1 3.29Å; Y45-I49 PolarHBondContact O-N 3.36Å; L46-I49 PolarHBondContact O-N 3.25Å; T47-I49 PolarHBondContact O-N 3.39Å; I49-V51 PolarHBondContact O-N 3.38Å; I49-A52 PolarHBondContact O-N 3.34Å; I49-Q53 HydrophobicContact CG2-CG 4.23Å; I49-Q53 WeakPolarHBondContact O-CB 3.03Å; I49-Q53 WeakPolarHBondContact O-CG 3.45Å; I49-Q53 PolarHBondContact O-N 2.66Å; I49-M163 HydrophobicContact CD1-CE 4.23Å; I49-M163 HydrophobicContact CD1-CG 4.32Å; I49-M163 HydrophobicContact CD1-SD 3.78Å; I49-M163 HydrophobicContact CG1-CG 3.74Å; I49-M163 HydrophobicContact CG1-SD 3.5Å; I49-M163 VanDerWaalsContact CG1-SD 3.5Å; I49-A167 HydrophobicContact CG1-CB 4.43Å; I49-L178 HydrophobicContact CB-CD1 4.42Å; I49-L178 HydrophobicContact CD1-CB 3.89Å; I49-L178 HydrophobicContact CD1-CD1 4.31Å; I49-L178 HydrophobicContact CG1-CB 4.36Å; I49-L178 HydrophobicContact CG1-CD1 4.06Å; I49-L178 HydrophobicContact CG2-CD1 3.51Å; I49-L179 HydrophobicContact CD1-CD2 4.3Å; I49-L179 HydrophobicContact CD1-CG 4.4Å; I49-V274 HydrophobicContact CB-CG1 4.4Å; I49-V274 HydrophobicContact CG2-CG1 3.75Å
50	A	97.8	Very high	96.4	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-59.3	-50.6	-175.9	0	0	0	0	0	111.9	L46 T47 Q53 Y54 I94 V274	L46-A50 WeakPolarHBondContact O-CB 3.48Å; L46-A50 PolarHBondContact O-N 3.22Å; T47-A50 PolarHBondContact O-N 3.39Å; A50-Q53 PolarHBondContact O-N 3.06Å; A50-Y54 HydrophobicContact CB-CD2 4.39Å; A50-Y54 HydrophobicContact CB-CE2 4.32Å; A50-Y54 WeakPolarHBondContact O-CB 3.28Å; A50-Y54 WeakPolarHBondContact O-CD2 3.33Å; A50-Y54 PolarHBondContact O-N 3.48Å; A50-I94 HydrophobicContact CB-CD1 3.92Å; A50-I94 HydrophobicContact CB-CG2 4Å; A50-V274 HydrophobicContact CB-CG1 3.94Å; A50-V274 HydrophobicContact CB-CG2 3.88Å
51	V	97.9	Very high	96.6	Very high	2 Å²	2	23 Å²	23	1%	0.012	12%	0.12	C	C	.	.	H	α-helix	trans	-65	-45.6	-178	179.3	0	0	0	0	110.7	T47 I49 Q53 Y54 V55 V58 V63 L66 I94 I98	T47-V51 HydrophobicContact CG2-CG2 4.21Å; T47-V51 WeakPolarHBondContact O-CB 3.42Å; T47-V51 VanDerWaalsContact O-CG2 3.24Å; T47-V51 WeakPolarHBondContact O-CG2 3.28Å; T47-V51 PolarHBondContact O-N 3.38Å; I49-V51 PolarHBondContact O-N 3.38Å; V51-Q53 VanDerWaalsContact C-N 3.32Å; V51-Q53 PolarHBondContact O-N 3.39Å; V51-Y54 PolarHBondContact O-N 3.47Å; V51-V55 PolarHBondContact O-N 2.87Å; V51-V58 HydrophobicContact CG1-CG1 4.21Å; V51-V58 HydrophobicContact CG1-CG2 4.35Å; V51-V63 HydrophobicContact CB-CG2 4.5Å; V51-V63 HydrophobicContact CG1-CG2 3.95Å; V51-L66 HydrophobicContact CB-CD1 4.48Å; V51-L66 HydrophobicContact CG1-CD1 3.64Å; V51-L66 HydrophobicContact CG2-CD1 3.98Å; V51-I94 HydrophobicContact CG2-CG2 4.05Å; V51-I98 HydrophobicContact CG2-CD1 4.24Å; V51-I98 HydrophobicContact CG2-CG1 4.34Å
52	A	98.1	Very high	96.8	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-65.3	-33.3	-179.8	0	0	0	0	0	112.8	I48 I49 Q56 Y164 A167 R168	I48-A52 WeakPolarHBondContact O-CB 3.4Å; I48-A52 PolarHBondContact O-N 3.36Å; I49-A52 PolarHBondContact O-N 3.34Å; A52-Q56 WeakPolarHBondContact O-CA 3.45Å; A52-Q56 VanDerWaalsContact O-CG 3.27Å; A52-Q56 WeakPolarHBondContact O-CG 3.33Å; A52-Y164 HydrophobicContact CB-CD2 4.01Å; A52-A167 HydrophobicContact CB-CB 3.9Å; A52-R168 HydrophobicContact CB-CB 4.14Å; A52-R168 WeakPolarHBondContact O-CA 3.35Å; A52-R168 WeakPolarHBondContact O-CB 3.04Å
53	Q	98.1	Very high	97	Very high	4 Å²	4	16.8 Å²	16.8	2%	0.019	9%	0.09	C	C	.	.	H	α-helix	trans	-76.8	-38.6	175.9	-68.6	-172.6	-36.5	0	0	112.4	I49 A50 V51 K129 A167 N170 P171 V173	I49-Q53 HydrophobicContact CG2-CG 4.23Å; I49-Q53 WeakPolarHBondContact O-CB 3.03Å; I49-Q53 WeakPolarHBondContact O-CG 3.45Å; I49-Q53 PolarHBondContact O-N 2.66Å; A50-Q53 PolarHBondContact O-N 3.06Å; V51-Q53 VanDerWaalsContact C-N 3.32Å; V51-Q53 PolarHBondContact O-N 3.39Å; Q53-K129 WeakPolarHBondContact O-CG 3.47Å; Q53-A167 HydrophobicContact CG-CB 4.19Å; Q53-N170 PolarHBondContact NE2-O 3.17Å; Q53-P171 HydrophobicContact CB-CB 4.48Å; Q53-V173 PolarHBondContact NE2-O 3.43Å
54	Y	96.9	Very high	97	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-75.9	-36.7	179.8	-74.8	-49	0	0	0	113.8	A50 V51 N91 F125 N128 K129 G272	A50-Y54 HydrophobicContact CB-CD2 4.39Å; A50-Y54 HydrophobicContact CB-CE2 4.32Å; A50-Y54 WeakPolarHBondContact O-CB 3.28Å; A50-Y54 WeakPolarHBondContact O-CD2 3.33Å; A50-Y54 PolarHBondContact O-N 3.48Å; V51-Y54 PolarHBondContact O-N 3.47Å; Y54-N91 WeakPolarHBondContact CE2-OD1 3.35Å; Y54-N91 PolarHBondContact OH-ND2 3.05Å; Y54-N91 VanDerWaalsContact OH-ND2 3.16Å; Y54-N91 PolarHBondContact OH-OD1 2.99Å; Y54-F125 HydrophobicContact CD1-CB 3.69Å; Y54-F125 HydrophobicContact CD1-CD1 4.35Å; Y54-F125 HydrophobicContact CD1-CG 4.4Å; Y54-F125 HydrophobicContact CE1-CB 3.87Å; Y54-F125 HydrophobicContact CG-CB 4.31Å; Y54-F125 HydrophobicContact CG-CD1 4.2Å; Y54-N128 PolarHBondContact O-ND2 3.43Å; Y54-K129 HydrophobicContact CD1-CG 4.46Å; Y54-G272 PolarHBondContact OH-O 2.96Å; Y54-G272 VanDerWaalsContact OH-O 3.13Å
55	V	96.8	Very high	96.9	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.111	C	C	.	.			trans	-128.8	73.4	-175	-166.9	0	0	0	0	108.3	V51 E57 V58 I98 H108 V110 F125	V51-V55 PolarHBondContact O-N 2.87Å; V55-E57 PolarHBondContact O-N 1.98Å; V55-V58 HydrophobicContact CB-CB 4.2Å; V55-V58 HydrophobicContact CG1-CB 4.02Å; V55-V58 VanDerWaalsContact O-CB 3.23Å; V55-V58 WeakPolarHBondContact O-CB 3.12Å; V55-V58 WeakPolarHBondContact O-CG1 3.39Å; V55-V58 PolarHBondContact O-N 3.3Å; V55-I98 HydrophobicContact CG2-CD1 4.29Å; V55-I98 HydrophobicContact CG2-CG2 4.19Å; V55-H108 HydrophobicContact CG1-CB 3.45Å; V55-H108 VanDerWaalsContact CG1-CB 3.45Å; V55-V110 HydrophobicContact CG1-CG1 4.45Å; V55-V110 HydrophobicContact CG2-CG1 4.18Å; V55-F125 HydrophobicContact CG2-CE1 4.37Å
56	Q	96.8	Very high	96.9	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.005	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-18.7	-170	-69.2	164.5	-99.3	0	0	113.9	A52 K130 T133 F135 R168	A52-Q56 WeakPolarHBondContact O-CA 3.45Å; A52-Q56 VanDerWaalsContact O-CG 3.27Å; A52-Q56 WeakPolarHBondContact O-CG 3.33Å; Q56-K130 PolarHBondContact NE2-O 3.21Å; Q56-K130 PolarHBondContact OE1-O 3.33Å; Q56-T133 VanDerWaalsContact NE2-CG2 3.28Å; Q56-F135 HydrophobicContact CB-CE2 4.14Å; Q56-F135 HydrophobicContact CB-CZ 3.71Å; Q56-R168 HydrophobicContact CB-CB 4.31Å; Q56-R168 HydrophobicContact CG-CB 4.35Å; Q56-R168 WeakPolarHBondContact CG-O 3.34Å; Q56-R168 PolarHBondContact NE2-O 3.14Å; Q56-R168 PolarHBondContact O-NE 2.99Å; Q56-R168 PolarHBondContact O-NH2 3.43Å
57	E	95.3	Very high	96.9	Very high	59 Å²	59	20.9 Å²	20.9	28%	0.276	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-9.8	176.6	-64.8	85.9	164.1	0	0	114.5	V55 H108 K130 F135	V55-E57 PolarHBondContact O-N 1.98Å; E57-H108 PolarHBondContact O-CE1 3.03Å; E57-K130 IonicContact OE1-NZ 2.8Å; E57-K130 PolarHBondContact OE1-NZ 2.75Å; E57-F135 HydrophobicContact CG-CD2 4.01Å; E57-F135 HydrophobicContact CG-CE2 3.67Å; E57-F135 WeakPolarHBondContact OE1-CE2 3.38Å
58	V	96.3	Very high	96.7	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.136	C	C	.	.			trans	-53.6	143.7	176.8	74.6	0	0	0	0	110.7	V51 V55 E62 V63 Y164	V51-V58 HydrophobicContact CG1-CG1 4.21Å; V51-V58 HydrophobicContact CG1-CG2 4.35Å; V55-V58 HydrophobicContact CB-CB 4.2Å; V55-V58 HydrophobicContact CG1-CB 4.02Å; V55-V58 VanDerWaalsContact O-CB 3.23Å; V55-V58 WeakPolarHBondContact O-CB 3.12Å; V55-V58 WeakPolarHBondContact O-CG1 3.39Å; V55-V58 PolarHBondContact O-N 3.3Å; V58-E62 HydrophobicContact CG2-CB 3.65Å; V58-V63 HydrophobicContact CB-CG2 4.41Å; V58-V63 HydrophobicContact CG1-CG2 3.46Å; V58-V63 VanDerWaalsContact CG1-CG2 3.46Å; V58-V63 HydrophobicContact CG2-CG2 4.03Å; V58-Y164 HydrophobicContact CG1-CE2 4.02Å; V58-Y164 PolarHBondContact O-OH 3.39Å
59	S	96.3	Very high	96.5	Very high	38 Å²	38	30.1 Å²	30.1	27%	0.266	15%	0.153	S	C	.	.			trans	-80.3	158.9	174.4	74.3	0	0	0	0	111.7	D61 E62 V63	S59-D61 VanDerWaalsContact C-N 3.32Å; S59-D61 PolarHBondContact O-N 2.96Å; S59-E62 PolarHBondContact N-OE2 3.11Å; S59-E62 PolarHBondContact O-N 3.35Å; S59-E62 WeakPolarHBondContact OG-CG 3.16Å; S59-E62 PolarHBondContact OG-N 3.39Å; S59-E62 PolarHBondContact OG-OE2 3.49Å; S59-V63 WeakPolarHBondContact O-CG2 3.45Å; S59-V63 PolarHBondContact O-N 2.93Å; S59-V63 VanDerWaalsContact O-N 3.07Å
60	F	96.6	Very high	96.3	Very high	27 Å²	27	30.9 Å²	30.9	12%	0.118	16%	0.156	C	C	.	.	H	α-helix	trans	-61.4	-40.5	176.1	-175.2	-117.2	0	0	0	112	E62 V63 E64 N160 L161 Y164	F60-E62 VanDerWaalsContact C-N 3.31Å; F60-E62 PolarHBondContact O-N 3.17Å; F60-V63 CarbonylContact O-C 3.57Å; F60-V63 WeakPolarHBondContact O-CA 3.44Å; F60-V63 WeakPolarHBondContact O-CB 3.23Å; F60-V63 PolarHBondContact O-N 3.04Å; F60-E64 HydrophobicContact CD1-CG 4.2Å; F60-E64 VanDerWaalsContact CE1-CD 3.49Å; F60-E64 HydrophobicContact CE1-CG 3.78Å; F60-E64 WeakPolarHBondContact CE1-OE1 3.26Å; F60-E64 HydrophobicContact CE2-CG 4.18Å; F60-E64 HydrophobicContact CZ-CG 3.77Å; F60-E64 PolarHBondContact O-N 2.91Å; F60-N160 HydrophobicContact CE2-CB 4.1Å; F60-N160 HydrophobicContact CZ-CB 3.84Å; F60-L161 HydrophobicContact CB-CD1 4.14Å; F60-L161 HydrophobicContact CD1-CD1 3.83Å; F60-L161 HydrophobicContact CD2-CD1 3.96Å; F60-L161 HydrophobicContact CE1-CB 4.08Å; F60-L161 HydrophobicContact CE1-CD1 4.2Å; F60-L161 HydrophobicContact CE2-CB 4.15Å; F60-L161 HydrophobicContact CE2-CD1 4.34Å; F60-L161 HydrophobicContact CG-CD1 3.68Å; F60-L161 HydrophobicContact CZ-CB 3.86Å; F60-L161 HydrophobicContact CZ-CD1 4.44Å; F60-Y164 HydrophobicContact CB-CD1 4.01Å; F60-Y164 HydrophobicContact CB-CE1 3.8Å; F60-Y164 HydrophobicContact CB-CG 4.49Å; F60-Y164 AromaticContact CD2-CD1 3.73Å; F60-Y164 HydrophobicContact CD2-CD1 3.73Å; F60-Y164 HydrophobicContact CD2-CD2 4.27Å; F60-Y164 HydrophobicContact CD2-CE1 4.38Å; F60-Y164 AromaticContact CD2-CG 3.64Å; F60-Y164 HydrophobicContact CD2-CG 3.64Å; F60-Y164 HydrophobicContact CE2-CG 4.42Å; F60-Y164 HydrophobicContact CG-CD1 4.22Å; F60-Y164 HydrophobicContact CG-CE1 4.49Å; F60-Y164 PolarHBondContact N-OH 3.3Å
61	D	96.1	Very high	96.2	Very high	118 Å²	118	33.3 Å²	33.3	63%	0.631	17%	0.168	S	C	*	.	H	α-helix	trans	-59.8	-39.4	176.5	-59.4	-18.6	0	0	0	112.8	S59 V63 E64 M65	S59-D61 VanDerWaalsContact C-N 3.32Å; S59-D61 PolarHBondContact O-N 2.96Å; D61-V63 VanDerWaalsContact C-N 3.34Å; D61-E64 PolarHBondContact O-N 3.41Å; D61-M65 PolarHBondContact O-N 2.9Å
62	E	96.6	Very high	96	Very high	25 Å²	25	37.8 Å²	37.8	12%	0.117	19%	0.192	C	C	.	.	H	α-helix	trans	-67.2	-37.1	175.4	-74.3	169.9	154.5	0	0	111.2	V58 S59 F60 M65 L66 L104 K107 H108	V58-E62 HydrophobicContact CG2-CB 3.65Å; S59-E62 PolarHBondContact N-OE2 3.11Å; S59-E62 PolarHBondContact O-N 3.35Å; S59-E62 WeakPolarHBondContact OG-CG 3.16Å; S59-E62 PolarHBondContact OG-N 3.39Å; S59-E62 PolarHBondContact OG-OE2 3.49Å; F60-E62 VanDerWaalsContact C-N 3.31Å; F60-E62 PolarHBondContact O-N 3.17Å; E62-M65 WeakPolarHBondContact O-CB 3.39Å; E62-M65 PolarHBondContact O-N 3.07Å; E62-L66 WeakPolarHBondContact O-CG 3.47Å; E62-L66 PolarHBondContact O-N 3.19Å; E62-L66 VanDerWaalsContact O-N 3.09Å; E62-L104 HydrophobicContact CB-CD1 4.44Å; E62-K107 WeakPolarHBondContact OE1-CD 3.46Å; E62-K107 IonicContact OE1-NZ 2.82Å; E62-K107 PolarHBondContact OE1-NZ 3.36Å; E62-K107 IonicContact OE2-NZ 3.82Å; E62-H108 IonicContact OE1-NE2 2.73Å; E62-H108 IonicContact OE2-CD2 3.3Å; E62-H108 IonicContact OE2-CE1 2.76Å; E62-H108 PolarHBondContact OE2-CE1 3.3Å; E62-H108 IonicContact OE2-NE2 3.7Å; E62-H108 PolarHBondContact OE2-NE2 3.4Å
63	V	97.2	Very high	95.7	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-65.9	-44.8	173.4	174.9	0	0	0	0	110.9	I48 V51 V58 S59 F60 D61 M65 L66 V67 Y164	I48-V63 HydrophobicContact CB-CG1 4.15Å; I48-V63 HydrophobicContact CG1-CG1 3.71Å; I48-V63 HydrophobicContact CG2-CG1 4.27Å; V51-V63 HydrophobicContact CB-CG2 4.5Å; V51-V63 HydrophobicContact CG1-CG2 3.95Å; V58-V63 HydrophobicContact CB-CG2 4.41Å; V58-V63 HydrophobicContact CG1-CG2 3.46Å; V58-V63 VanDerWaalsContact CG1-CG2 3.46Å; V58-V63 HydrophobicContact CG2-CG2 4.03Å; S59-V63 WeakPolarHBondContact O-CG2 3.45Å; S59-V63 PolarHBondContact O-N 2.93Å; S59-V63 VanDerWaalsContact O-N 3.07Å; F60-V63 CarbonylContact O-C 3.57Å; F60-V63 WeakPolarHBondContact O-CA 3.44Å; F60-V63 WeakPolarHBondContact O-CB 3.23Å; F60-V63 PolarHBondContact O-N 3.04Å; D61-V63 VanDerWaalsContact C-N 3.34Å; V63-M65 VanDerWaalsContact C-N 3.26Å; V63-M65 PolarHBondContact O-N 2.72Å; V63-L66 PolarHBondContact O-N 3.32Å; V63-L66 VanDerWaalsContact O-N 3.11Å; V63-V67 HydrophobicContact CG1-CG2 4.25Å; V63-V67 VanDerWaalsContact O-CG2 3.28Å; V63-V67 WeakPolarHBondContact O-CG2 3.4Å; V63-V67 PolarHBondContact O-N 2.93Å; V63-Y164 HydrophobicContact CG2-CD2 3.95Å; V63-Y164 HydrophobicContact CG2-CE2 4.03Å
64	E	95.6	Very high	95.4	Very high	54 Å²	54	41.3 Å²	41.3	25%	0.252	21%	0.205	S	C	.	.	H	α-helix	trans	-61.5	-35.6	177.1	-72.5	-163.6	129.5	0	0	112.2	F60 D61 V67 K68	F60-E64 HydrophobicContact CD1-CG 4.2Å; F60-E64 VanDerWaalsContact CE1-CD 3.49Å; F60-E64 HydrophobicContact CE1-CG 3.78Å; F60-E64 WeakPolarHBondContact CE1-OE1 3.26Å; F60-E64 HydrophobicContact CE2-CG 4.18Å; F60-E64 HydrophobicContact CZ-CG 3.77Å; F60-E64 PolarHBondContact O-N 2.91Å; D61-E64 PolarHBondContact O-N 3.41Å; E64-V67 PolarHBondContact O-N 3.26Å; E64-K68 WeakPolarHBondContact O-CG 3.41Å; E64-K68 PolarHBondContact O-N 2.9Å; E64-K68 VanDerWaalsContact O-N 3.09Å
65	M	94.8	Very high	95.3	Very high	89 Å²	89	44.8 Å²	44.8	44%	0.438	22%	0.224	S	C	.	.	H	α-helix	trans	-60.2	-51	171	-176.6	-150.6	-58.4	0	0	111.1	D61 E62 V63 V67 K68 V69 T101	D61-M65 PolarHBondContact O-N 2.9Å; E62-M65 WeakPolarHBondContact O-CB 3.39Å; E62-M65 PolarHBondContact O-N 3.07Å; V63-M65 VanDerWaalsContact C-N 3.26Å; V63-M65 PolarHBondContact O-N 2.72Å; M65-V67 VanDerWaalsContact C-N 3.31Å; M65-V67 PolarHBondContact O-N 3.36Å; M65-K68 WeakPolarHBondContact O-CB 3.41Å; M65-K68 PolarHBondContact O-N 3.46Å; M65-V69 WeakPolarHBondContact O-CG2 3.39Å; M65-V69 PolarHBondContact O-N 3.45Å; M65-V69 VanDerWaalsContact O-N 3.14Å; M65-T101 HydrophobicContact SD-CG2 3.86Å
66	L	96.2	Very high	95.2	Very high	2 Å²	2	51 Å²	51	1%	0.01	25%	0.247	C	C	.	.	H	α-helix	trans	-63.5	-36.5	179.4	-71.4	169.4	0	0	0	112.3	V51 E62 V63 K68 V69 M70 M97 I98 T101 L104	V51-L66 HydrophobicContact CB-CD1 4.48Å; V51-L66 HydrophobicContact CG1-CD1 3.64Å; V51-L66 HydrophobicContact CG2-CD1 3.98Å; E62-L66 WeakPolarHBondContact O-CG 3.47Å; E62-L66 PolarHBondContact O-N 3.19Å; E62-L66 VanDerWaalsContact O-N 3.09Å; V63-L66 PolarHBondContact O-N 3.32Å; V63-L66 VanDerWaalsContact O-N 3.11Å; L66-K68 PolarHBondContact O-N 2.88Å; L66-V69 PolarHBondContact O-N 3.44Å; L66-M70 PolarHBondContact O-N 2.81Å; L66-M97 HydrophobicContact CD2-CB 3.97Å; L66-I98 HydrophobicContact CD1-CG1 4.33Å; L66-T101 WeakPolarHBondContact CD2-OG1 3.41Å; L66-L104 HydrophobicContact CD1-CD1 3.92Å
67	V	96.1	Very high	94.9	Very high	15 Å²	15	51.8 Å²	51.8	9%	0.091	25%	0.253	C	S	.	.	H	α-helix	trans	-58.5	-47.4	172.8	169.2	0	0	0	0	110.5	A44 T47 I48 V63 E64 M65 V69 M70 M71	A44-V67 HydrophobicContact CB-CG1 3.83Å; T47-V67 HydrophobicContact CG2-CG2 4.06Å; I48-V67 HydrophobicContact CD1-CG2 4.26Å; I48-V67 HydrophobicContact CG1-CG2 3.6Å; V63-V67 HydrophobicContact CG1-CG2 4.25Å; V63-V67 VanDerWaalsContact O-CG2 3.28Å; V63-V67 WeakPolarHBondContact O-CG2 3.4Å; V63-V67 PolarHBondContact O-N 2.93Å; E64-V67 PolarHBondContact O-N 3.26Å; M65-V67 VanDerWaalsContact C-N 3.31Å; M65-V67 PolarHBondContact O-N 3.36Å; V67-V69 VanDerWaalsContact C-N 3.33Å; V67-V69 PolarHBondContact O-N 3.44Å; V67-M70 PolarHBondContact O-N 2.81Å; V67-M71 HydrophobicContact CG1-CG 4.14Å; V67-M71 WeakPolarHBondContact O-CB 3.18Å; V67-M71 WeakPolarHBondContact O-CG 3.49Å; V67-M71 PolarHBondContact O-N 3.43Å
68	K	94.8	Very high	94.6	Very high	138 Å²	138	52.6 Å²	52.6	60%	0.6	26%	0.259	S	S	*	.	H	α-helix	trans	-58.6	-45.5	177.3	-70.2	167.8	-174.2	169.7	0	111.5	E64 M65 L66 M70 M71 D72	E64-K68 WeakPolarHBondContact O-CG 3.41Å; E64-K68 PolarHBondContact O-N 2.9Å; E64-K68 VanDerWaalsContact O-N 3.09Å; M65-K68 WeakPolarHBondContact O-CB 3.41Å; M65-K68 PolarHBondContact O-N 3.46Å; L66-K68 PolarHBondContact O-N 2.88Å; K68-M70 VanDerWaalsContact C-N 3.32Å; K68-M70 PolarHBondContact O-N 3.32Å; K68-M71 PolarHBondContact O-N 3.09Å; K68-D72 PolarHBondContact O-N 3.27Å
69	V	94.2	Very high	94.4	Very high	61 Å²	61	56.9 Å²	56.9	37%	0.37	29%	0.294	S	S	.	.	H	α-helix	trans	-61.1	-40.6	177.4	177.8	0	0	0	0	111.8	M65 L66 V67 Y73 M97	M65-V69 WeakPolarHBondContact O-CG2 3.39Å; M65-V69 PolarHBondContact O-N 3.45Å; M65-V69 VanDerWaalsContact O-N 3.14Å; L66-V69 PolarHBondContact O-N 3.44Å; V67-V69 VanDerWaalsContact C-N 3.33Å; V67-V69 PolarHBondContact O-N 3.44Å; V69-Y73 WeakPolarHBondContact O-CB 3.44Å; V69-Y73 PolarHBondContact O-N 3.46Å; V69-M97 HydrophobicContact CG1-CE 4.05Å; V69-M97 HydrophobicContact CG1-CG 4.1Å; V69-M97 HydrophobicContact CG1-SD 4.08Å
70	M	94.3	Very high	94.2	Very high	16 Å²	16	58.3 Å²	58.3	8%	0.079	30%	0.299	C	S	.	.	H	α-helix	trans	-70.6	-36	177.8	-172.6	60.5	-173.6	0	0	112.7	T43 T47 L66 V67 K68 Y73 R74 V93 M97	T43-M70 HydrophobicContact CG2-CE 4.41Å; T43-M70 HydrophobicContact CG2-CG 3.82Å; T47-M70 HydrophobicContact CG2-CB 3.96Å; T47-M70 HydrophobicContact CG2-CG 4.35Å; T47-M70 VanDerWaalsContact OG1-CG 3.25Å; T47-M70 WeakPolarHBondContact OG1-CG 2.86Å; L66-M70 PolarHBondContact O-N 2.81Å; V67-M70 PolarHBondContact O-N 2.81Å; K68-M70 VanDerWaalsContact C-N 3.32Å; K68-M70 PolarHBondContact O-N 3.32Å; M70-Y73 HydrophobicContact CE-CD1 3.91Å; M70-Y73 HydrophobicContact CE-CE1 4.18Å; M70-Y73 WeakPolarHBondContact O-CB 3.5Å; M70-Y73 PolarHBondContact O-N 3.19Å; M70-Y73 HydrophobicContact SD-CD1 3.79Å; M70-Y73 HydrophobicContact SD-CE1 4.49Å; M70-Y73 HydrophobicContact SD-CG 4.44Å; M70-R74 WeakPolarHBondContact O-CB 3.47Å; M70-R74 PolarHBondContact O-N 2.94Å; M70-V93 HydrophobicContact SD-CG1 4.01Å; M70-M97 HydrophobicContact CB-CE 4.25Å; M70-M97 HydrophobicContact CB-SD 3.94Å; M70-M97 HydrophobicContact CG-SD 4.46Å; M70-M97 HydrophobicContact SD-CE 3.57Å; M70-M97 VanDerWaalsContact SD-CE 3.57Å; M70-M97 HydrophobicContact SD-SD 3.88Å
71	M	94.6	Very high	93.8	Very high	50 Å²	50	64.7 Å²	64.7	25%	0.246	32%	0.322	C	S	.	.	H	α-helix	trans	-65.8	-42.5	175.3	-65.9	-71.8	-79.3	0	0	111.1	T43 A44 V67 K68 Y73 R74 D75	T43-M71 HydrophobicContact CG2-SD 3.97Å; A44-M71 HydrophobicContact CB-SD 4.3Å; V67-M71 HydrophobicContact CG1-CG 4.14Å; V67-M71 WeakPolarHBondContact O-CB 3.18Å; V67-M71 WeakPolarHBondContact O-CG 3.49Å; V67-M71 PolarHBondContact O-N 3.43Å; K68-M71 PolarHBondContact O-N 3.09Å; M71-Y73 VanDerWaalsContact C-N 3.34Å; M71-Y73 PolarHBondContact O-N 3.06Å; M71-R74 VanDerWaalsContact CE-CZ 3.49Å; M71-R74 VanDerWaalsContact CE-NH2 3.29Å; M71-R74 WeakPolarHBondContact O-CB 3.49Å; M71-R74 PolarHBondContact O-N 3.39Å; M71-R74 PolarHBondContact SD-NH1 2.97Å; M71-R74 VanDerWaalsContact SD-NH1 3.41Å; M71-D75 VanDerWaalsContact O-CG 3.24Å; M71-D75 PolarHBondContact O-N 2.95Å
72	D	94	Very high	93.5	Very high	96 Å²	96	64.9 Å²	64.9	51%	0.513	33%	0.328	S	S	.	.	H	α-helix	trans	-62.5	-41.1	173.6	-72	-15	0	0	0	111.9	K68 D75 R76	K68-D72 PolarHBondContact O-N 3.27Å; D72-D75 PolarHBondContact O-N 3.39Å; D72-R76 WeakPolarHBondContact O-CG 2.92Å; D72-R76 PolarHBondContact O-N 3.47Å
73	Y	92.2	Very high	93.2	Very high	25 Å²	25	66 Å²	66	10%	0.098	34%	0.335	C	S	.	.	H	α-helix	trans	-59.8	-48.3	174	168.7	-92.9	0	0	0	111.5	V69 M70 M71 D75 R76 C77 E85 C86 V93 M97	V69-Y73 WeakPolarHBondContact O-CB 3.44Å; V69-Y73 PolarHBondContact O-N 3.46Å; M70-Y73 HydrophobicContact CE-CD1 3.91Å; M70-Y73 HydrophobicContact CE-CE1 4.18Å; M70-Y73 WeakPolarHBondContact O-CB 3.5Å; M70-Y73 PolarHBondContact O-N 3.19Å; M70-Y73 HydrophobicContact SD-CD1 3.79Å; M70-Y73 HydrophobicContact SD-CE1 4.49Å; M70-Y73 HydrophobicContact SD-CG 4.44Å; M71-Y73 VanDerWaalsContact C-N 3.34Å; M71-Y73 PolarHBondContact O-N 3.06Å; Y73-D75 VanDerWaalsContact C-N 3.35Å; Y73-D75 PolarHBondContact O-N 3.21Å; Y73-R76 PolarHBondContact O-N 2.96Å; Y73-C77 PolarHBondContact O-N 3.38Å; Y73-C77 PolarHBondContact O-SG 3.44Å; Y73-C77 VanDerWaalsContact O-SG 3.41Å; Y73-E85 HydrophobicContact CD2-CG 4.47Å; Y73-E85 HydrophobicContact CE2-CB 4.1Å; Y73-E85 HydrophobicContact CE2-CG 3.95Å; Y73-E85 PolarHBondContact OH-O 3.45Å; Y73-C86 WeakPolarHBondContact OH-CA 3.4Å; Y73-V93 HydrophobicContact CD1-CG1 4.05Å; Y73-V93 HydrophobicContact CD2-CG1 4.22Å; Y73-V93 HydrophobicContact CE1-CG1 3.95Å; Y73-V93 HydrophobicContact CE1-CG2 4.33Å; Y73-V93 HydrophobicContact CE2-CG1 4.11Å; Y73-V93 HydrophobicContact CE2-CG2 4.32Å; Y73-V93 HydrophobicContact CG-CG1 4.2Å; Y73-M97 HydrophobicContact CG-CE 4.02Å
74	R	92.8	Very high	92.7	Very high	53 Å²	53	70.9 Å²	70.9	20%	0.2	37%	0.366	C	S	.	.	H	α-helix	trans	-56.5	-49.6	175.9	178	-156.7	65.8	-171.4	-5.6	110.7	E40 T43 M70 M71 R76 C77 L78	E40-R74 PolarHBondContact O-NH1 3.48Å; T43-R74 HydrophobicContact CG2-CB 4.42Å; M70-R74 WeakPolarHBondContact O-CB 3.47Å; M70-R74 PolarHBondContact O-N 2.94Å; M71-R74 VanDerWaalsContact CE-CZ 3.49Å; M71-R74 VanDerWaalsContact CE-NH2 3.29Å; M71-R74 WeakPolarHBondContact O-CB 3.49Å; M71-R74 PolarHBondContact O-N 3.39Å; M71-R74 PolarHBondContact SD-NH1 2.97Å; M71-R74 VanDerWaalsContact SD-NH1 3.41Å; R74-R76 VanDerWaalsContact C-N 3.34Å; R74-R76 PolarHBondContact O-N 3.31Å; R74-C77 PolarHBondContact O-N 3.2Å; R74-C77 VanDerWaalsContact O-N 3.1Å; R74-L78 HydrophobicContact CG-CD1 3.99Å; R74-L78 HydrophobicContact CG-CG 4.32Å; R74-L78 WeakPolarHBondContact O-CG 3.41Å; R74-L78 PolarHBondContact O-N 3.4Å
75	D	93.8	Very high	92.2	Very high	73 Å²	73	71.6 Å²	71.6	39%	0.39	37%	0.369	S	S	.	.	H	α-helix	trans	-64.9	-38.3	-175.2	-68	-9.4	0	0	0	111.9	M71 D72 Y73 L78 A79	M71-D75 VanDerWaalsContact O-CG 3.24Å; M71-D75 PolarHBondContact O-N 2.95Å; D72-D75 PolarHBondContact O-N 3.39Å; Y73-D75 VanDerWaalsContact C-N 3.35Å; Y73-D75 PolarHBondContact O-N 3.21Å; D75-L78 PolarHBondContact O-N 3.26Å; D75-A79 WeakPolarHBondContact O-CB 3.33Å; D75-A79 PolarHBondContact O-N 2.8Å
76	R	93.6	Very high	91.9	Very high	130 Å²	130	68.8 Å²	68.8	49%	0.491	36%	0.358	S	S	.	.	H	α-helix	trans	-61.6	-44	171	-73.3	-169.1	-60.4	-116.7	-0.6	112.2	D72 Y73 R74 A79 N80 L83	D72-R76 WeakPolarHBondContact O-CG 2.92Å; D72-R76 PolarHBondContact O-N 3.47Å; Y73-R76 PolarHBondContact O-N 2.96Å; R74-R76 VanDerWaalsContact C-N 3.34Å; R74-R76 PolarHBondContact O-N 3.31Å; R76-A79 PolarHBondContact O-N 3.36Å; R76-N80 PolarHBondContact O-N 3.01Å; R76-L83 HydrophobicContact CB-CD1 4.49Å
77	C	91.6	Very high	91.4	Very high	18 Å²	18	73.7 Å²	73.7	12%	0.122	39%	0.392	C	S	.	.	H	α-helix	trans	-69.8	-32	179.3	-70.1	0	0	0	0	113.5	Y73 R74 N80 R81 C86	Y73-C77 PolarHBondContact O-N 3.38Å; Y73-C77 PolarHBondContact O-SG 3.44Å; Y73-C77 VanDerWaalsContact O-SG 3.41Å; R74-C77 PolarHBondContact O-N 3.2Å; R74-C77 VanDerWaalsContact O-N 3.1Å; C77-N80 CarbonylContact O-C 3.35Å; C77-R81 WeakPolarHBondContact O-CA 3.34Å; C77-R81 VanDerWaalsContact O-CG 3.23Å; C77-R81 WeakPolarHBondContact O-CG 3.31Å; C77-R81 PolarHBondContact O-N 3.23Å; C77-C86 WeakPolarHBondContact CA-SG 3.12Å; C77-C86 HydrophobicContact CB-CB 3.77Å; C77-C86 WeakPolarHBondContact CB-SG 3.25Å; C77-C86 WeakPolarHBondContact SG-CA 2.78Å; C77-C86 WeakPolarHBondContact SG-CB 3.02Å; C77-C86 CovalentContact SG-SG 2.04Å; C77-C86 PolarHBondContact SG-SG 3.07Å
78	L	89.3	Confident	90.9	Very high	76 Å²	76	77.4 Å²	77.4	40%	0.398	41%	0.408	S	S	.	.	H	α-helix	trans	-66.7	-40.3	170.7	-71.7	176.2	0	0	0	111.4	E40 R74 D75	E40-L78 VanDerWaalsContact OE1-CD2 3.28Å; E40-L78 WeakPolarHBondContact OE1-CD2 3.3Å; R74-L78 HydrophobicContact CG-CD1 3.99Å; R74-L78 HydrophobicContact CG-CG 4.32Å; R74-L78 WeakPolarHBondContact O-CG 3.41Å; R74-L78 PolarHBondContact O-N 3.4Å; D75-L78 PolarHBondContact O-N 3.26Å
79	A	92.8	Very high	90.5	Very high	91 Å²	91	73.8 Å²	73.8	75%	0.752	39%	0.394	S	S	*	.	H	α-helix	trans	-69.5	-37.7	177.1	0	0	0	0	0	112.7	D75 R76	D75-A79 WeakPolarHBondContact O-CB 3.33Å; D75-A79 PolarHBondContact O-N 2.8Å; R76-A79 PolarHBondContact O-N 3.36Å
80	N	90.9	Very high	90.2	Very high	67 Å²	67	71.6 Å²	71.6	36%	0.358	38%	0.382	S	S	.	.			trans	-147.4	96.9	177.7	-174	4	0	0	0	112.9	R76 C77 T82 L83	R76-N80 PolarHBondContact O-N 3.01Å; C77-N80 CarbonylContact O-C 3.35Å; N80-T82 PolarHBondContact O-N 3.41Å; N80-T82 PolarHBondContact OD1-N 2.97Å; N80-T82 PolarHBondContact OD1-OG1 3.26Å; N80-L83 HydrophobicContact CB-CD1 4.11Å; N80-L83 HydrophobicContact CB-CG 4.05Å; N80-L83 WeakPolarHBondContact O-CG 3.49Å; N80-L83 PolarHBondContact O-N 2.91Å
81	R	87.5	Confident	90	Very high	162 Å²	162	70.9 Å²	70.9	61%	0.611	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-13.3	178.7	-65.1	-179.1	175.7	-155	-10.9	114.6	H36 E40 C77 L83	H36-R81 PolarHBondContact NE2-NH2 3.12Å; E40-R81 IonicContact OE1-NH2 2.79Å; C77-R81 WeakPolarHBondContact O-CA 3.34Å; C77-R81 VanDerWaalsContact O-CG 3.23Å; C77-R81 WeakPolarHBondContact O-CG 3.31Å; C77-R81 PolarHBondContact O-N 3.23Å; R81-L83 VanDerWaalsContact C-N 3.32Å
82	T	90.6	Very high	89.8	Confident	121 Å²	121	70.7 Å²	70.7	74%	0.742	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-6.6	-178	68.1	0	0	0	0	113.5	N80	N80-T82 PolarHBondContact O-N 3.41Å; N80-T82 PolarHBondContact OD1-N 2.97Å; N80-T82 PolarHBondContact OD1-OG1 3.26Å
83	L	89.9	Confident	89.7	Confident	50 Å²	50	66.5 Å²	66.5	26%	0.262	36%	0.355	S	S	.	.	S	Bend	trans	-61.3	135.4	175.3	-68.2	172.7	0	0	0	110.3	R76 N80 R81 E85 C86	R76-L83 HydrophobicContact CB-CD1 4.49Å; N80-L83 HydrophobicContact CB-CD1 4.11Å; N80-L83 HydrophobicContact CB-CG 4.05Å; N80-L83 WeakPolarHBondContact O-CG 3.49Å; N80-L83 PolarHBondContact O-N 2.91Å; R81-L83 VanDerWaalsContact C-N 3.32Å; L83-E85 VanDerWaalsContact C-N 3.26Å; L83-E85 HydrophobicContact CB-CG 4.43Å; L83-E85 PolarHBondContact O-N 3.17Å; L83-C86 WeakPolarHBondContact O-CB 3.31Å; L83-C86 PolarHBondContact O-N 3.02Å
84	P	87.8	Confident	89.8	Confident	102 Å²	102	65.5 Å²	65.5	66%	0.662	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-55.2	-39.7	-175.7	-26.9	34.7	0	0	0	113.7	C86 S87	P84-C86 VanDerWaalsContact C-N 3.25Å; P84-C86 PolarHBondContact O-N 3.35Å; P84-S87 PolarHBondContact O-N 2.88Å; P84-S87 PolarHBondContact O-OG 2.92Å
85	E	83.8	Confident	89.9	Confident	68 Å²	68	63.1 Å²	63.1	32%	0.318	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-62.8	-30	-179.7	63.3	-89	-151.9	0	0	113	Y73 L83 S87 K88	Y73-E85 HydrophobicContact CD2-CG 4.47Å; Y73-E85 HydrophobicContact CE2-CB 4.1Å; Y73-E85 HydrophobicContact CE2-CG 3.95Å; Y73-E85 PolarHBondContact OH-O 3.45Å; L83-E85 VanDerWaalsContact C-N 3.26Å; L83-E85 HydrophobicContact CB-CG 4.43Å; L83-E85 PolarHBondContact O-N 3.17Å; E85-S87 PolarHBondContact O-N 2.85Å; E85-K88 WeakPolarHBondContact O-CB 3.48Å; E85-K88 PolarHBondContact O-N 3.45Å; E85-K88 VanDerWaalsContact O-N 3.12Å
86	C	88.8	Confident	89.9	Confident	30 Å²	30	61.7 Å²	61.7	20%	0.203	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-72.7	-8.6	-177.4	-58.7	0	0	0	0	114	Y73 C77 L83 P84	Y73-C86 WeakPolarHBondContact OH-CA 3.4Å; C77-C86 WeakPolarHBondContact CA-SG 3.12Å; C77-C86 HydrophobicContact CB-CB 3.77Å; C77-C86 WeakPolarHBondContact CB-SG 3.25Å; C77-C86 WeakPolarHBondContact SG-CA 2.78Å; C77-C86 WeakPolarHBondContact SG-CB 3.02Å; C77-C86 CovalentContact SG-SG 2.04Å; C77-C86 PolarHBondContact SG-SG 3.07Å; L83-C86 WeakPolarHBondContact O-CB 3.31Å; L83-C86 PolarHBondContact O-N 3.02Å; P84-C86 VanDerWaalsContact C-N 3.25Å; P84-C86 PolarHBondContact O-N 3.35Å
87	S	85.4	Confident	89.9	Confident	105 Å²	105	56.4 Å²	56.4	73%	0.734	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-87.7	-11.3	173.3	69.6	0	0	0	0	113.6	P84 E85	P84-S87 PolarHBondContact O-N 2.88Å; P84-S87 PolarHBondContact O-OG 2.92Å; E85-S87 PolarHBondContact O-N 2.85Å
88	K	86.1	Confident	90.1	Very high	94 Å²	94	55.5 Å²	55.5	41%	0.409	31%	0.31	S	S	.	.	S	Bend	trans	-68.3	150.5	179.6	-71.2	-174.5	169	-171.6	0	111.8	E85 V93 D96	E85-K88 WeakPolarHBondContact O-CB 3.48Å; E85-K88 PolarHBondContact O-N 3.45Å; E85-K88 VanDerWaalsContact O-N 3.12Å; K88-V93 HydrophobicContact CB-CG2 3.56Å; K88-V93 HydrophobicContact CD-CG2 4.09Å; K88-V93 HydrophobicContact CG-CG2 4.5Å; K88-D96 IonicContact NZ-OD2 3.97Å; K88-D96 PolarHBondContact NZ-OD2 3.33Å
89	I	86.5	Confident	90.4	Very high	62 Å²	62	53.2 Å²	53.2	32%	0.318	30%	0.3	S	S	.	.			trans	-68.4	135.3	172.2	-59.2	170.7	0	0	0	108.3	N91 E92 V93	I89-N91 HydrophobicContact CG2-CB 4.44Å; I89-N91 PolarHBondContact O-N 3.35Å; I89-E92 HydrophobicContact CB-CG 4.24Å; I89-E92 WeakPolarHBondContact O-CB 3.33Å; I89-E92 PolarHBondContact O-N 3.44Å; I89-V93 PolarHBondContact O-N 3.37Å; I89-V93 VanDerWaalsContact O-N 3.11Å
90	A	88.3	Confident	90.5	Very high	15 Å²	15	54.2 Å²	54.2	12%	0.124	30%	0.297	C	S	.	.	H	α-helix	trans	-57.7	-36.3	-173.6	0	0	0	0	0	113.2	E92 V93 I94 V275	A90-E92 PolarHBondContact O-N 3.03Å; A90-V93 WeakPolarHBondContact O-CB 3.44Å; A90-V93 PolarHBondContact O-N 3.03Å; A90-I94 WeakPolarHBondContact O-CG1 3.36Å; A90-I94 PolarHBondContact O-N 2.92Å; A90-V275 HydrophobicContact CB-CB 3.85Å; A90-V275 HydrophobicContact CB-CG1 4.05Å; A90-V275 HydrophobicContact CB-CG2 3.61Å
91	N	89.6	Confident	90.5	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-63.9	-38.7	176.2	-167.3	40.7	0	0	0	112.7	Y54 I89 V93 I94 Q95 D273	Y54-N91 WeakPolarHBondContact CE2-OD1 3.35Å; Y54-N91 PolarHBondContact OH-ND2 3.05Å; Y54-N91 VanDerWaalsContact OH-ND2 3.16Å; Y54-N91 PolarHBondContact OH-OD1 2.99Å; I89-N91 HydrophobicContact CG2-CB 4.44Å; I89-N91 PolarHBondContact O-N 3.35Å; N91-V93 VanDerWaalsContact C-N 3.34Å; N91-I94 PolarHBondContact O-N 3.33Å; N91-Q95 PolarHBondContact ND2-NE2 3.48Å; N91-Q95 WeakPolarHBondContact O-CB 3.49Å; N91-Q95 VanDerWaalsContact O-CG 3.3Å; N91-Q95 WeakPolarHBondContact O-CG 3.29Å; N91-Q95 PolarHBondContact O-N 3.47Å; N91-D273 HydrophobicContact CB-CB 4.05Å; N91-D273 VanDerWaalsContact CB-CG 3.46Å; N91-D273 VanDerWaalsContact CB-OD2 3.26Å; N91-D273 WeakPolarHBondContact CB-OD2 3.45Å
92	E	90.5	Very high	90.6	Very high	47 Å²	47	53.8 Å²	53.8	22%	0.22	30%	0.301	C	S	.	.	H	α-helix	trans	-66	-39.7	174.6	-64.2	-177.4	163.8	0	0	111.2	I89 A90 Q95 D96	I89-E92 HydrophobicContact CB-CG 4.24Å; I89-E92 WeakPolarHBondContact O-CB 3.33Å; I89-E92 PolarHBondContact O-N 3.44Å; A90-E92 PolarHBondContact O-N 3.03Å; E92-Q95 PolarHBondContact O-N 3.43Å; E92-D96 WeakPolarHBondContact O-CB 3.42Å; E92-D96 VanDerWaalsContact O-CG 3.3Å; E92-D96 PolarHBondContact O-N 3.22Å
93	V	92.6	Very high	90.6	Very high	7 Å²	7	49.8 Å²	49.8	4%	0.042	29%	0.285	C	S	.	.	H	α-helix	trans	-61.4	-45.7	175.4	176.1	0	0	0	0	111	M70 Y73 K88 I89 A90 N91 D96 M97	M70-V93 HydrophobicContact SD-CG1 4.01Å; Y73-V93 HydrophobicContact CD1-CG1 4.05Å; Y73-V93 HydrophobicContact CD2-CG1 4.22Å; Y73-V93 HydrophobicContact CE1-CG1 3.95Å; Y73-V93 HydrophobicContact CE1-CG2 4.33Å; Y73-V93 HydrophobicContact CE2-CG1 4.11Å; Y73-V93 HydrophobicContact CE2-CG2 4.32Å; Y73-V93 HydrophobicContact CG-CG1 4.2Å; K88-V93 HydrophobicContact CB-CG2 3.56Å; K88-V93 HydrophobicContact CD-CG2 4.09Å; K88-V93 HydrophobicContact CG-CG2 4.5Å; I89-V93 PolarHBondContact O-N 3.37Å; I89-V93 VanDerWaalsContact O-N 3.11Å; A90-V93 WeakPolarHBondContact O-CB 3.44Å; A90-V93 PolarHBondContact O-N 3.03Å; N91-V93 VanDerWaalsContact C-N 3.34Å; V93-D96 WeakPolarHBondContact O-CB 3.32Å; V93-D96 PolarHBondContact O-N 3.46Å; V93-M97 HydrophobicContact CG1-CE 3.39Å; V93-M97 HydrophobicContact CG1-SD 4.23Å; V93-M97 VanDerWaalsContact O-CG 3.28Å; V93-M97 WeakPolarHBondContact O-CG 3.42Å; V93-M97 PolarHBondContact O-N 3.25Å
94	I	94.2	Very high	90.8	Very high	5 Å²	5	47.6 Å²	47.6	3%	0.026	27%	0.273	C	S	.	.	H	α-helix	trans	-62.9	-44.2	177.8	-68.3	165.2	0	0	0	110.8	A50 V51 A90 N91 M97 I98 V274	A50-I94 HydrophobicContact CB-CD1 3.92Å; A50-I94 HydrophobicContact CB-CG2 4Å; V51-I94 HydrophobicContact CG2-CG2 4.05Å; A90-I94 WeakPolarHBondContact O-CG1 3.36Å; A90-I94 PolarHBondContact O-N 2.92Å; N91-I94 PolarHBondContact O-N 3.33Å; I94-M97 WeakPolarHBondContact O-CB 3.33Å; I94-M97 PolarHBondContact O-N 2.76Å; I94-I98 HydrophobicContact CG2-CD1 4.24Å; I94-I98 WeakPolarHBondContact O-CG1 3.34Å; I94-I98 PolarHBondContact O-N 2.73Å; I94-V274 HydrophobicContact CD1-CG2 4.48Å
95	Q	95.1	Very high	91	Very high	3 Å²	3	42.9 Å²	42.9	1%	0.014	24%	0.243	C	C	.	.	H	α-helix	trans	-66.2	-38.9	177.2	-70.4	175.4	10.9	0	0	112.2	N91 E92 M97 I98 C99 F125	N91-Q95 PolarHBondContact ND2-NE2 3.48Å; N91-Q95 WeakPolarHBondContact O-CB 3.49Å; N91-Q95 VanDerWaalsContact O-CG 3.3Å; N91-Q95 WeakPolarHBondContact O-CG 3.29Å; N91-Q95 PolarHBondContact O-N 3.47Å; E92-Q95 PolarHBondContact O-N 3.43Å; Q95-M97 VanDerWaalsContact C-N 3.32Å; Q95-M97 PolarHBondContact O-N 3.03Å; Q95-I98 PolarHBondContact O-N 2.74Å; Q95-C99 WeakPolarHBondContact O-CB 3.27Å; Q95-C99 PolarHBondContact O-N 3.16Å; Q95-C99 PolarHBondContact O-SG 3.18Å; Q95-F125 HydrophobicContact CB-CD2 4.2Å; Q95-F125 HydrophobicContact CB-CE2 3.89Å; Q95-F125 HydrophobicContact CG-CD2 3.69Å; Q95-F125 HydrophobicContact CG-CE2 3.85Å; Q95-F125 HydrophobicContact CG-CG 4.25Å
96	D	93.9	Very high	91.5	Very high	43 Å²	43	45.8 Å²	45.8	23%	0.23	26%	0.256	C	S	.	.	H	α-helix	trans	-59.2	-43.6	172.2	-81.4	-16.9	0	0	0	110.7	K88 E92 V93 C99 T100 R121	K88-D96 IonicContact NZ-OD2 3.97Å; K88-D96 PolarHBondContact NZ-OD2 3.33Å; E92-D96 WeakPolarHBondContact O-CB 3.42Å; E92-D96 VanDerWaalsContact O-CG 3.3Å; E92-D96 PolarHBondContact O-N 3.22Å; V93-D96 WeakPolarHBondContact O-CB 3.32Å; V93-D96 PolarHBondContact O-N 3.46Å; D96-C99 PolarHBondContact O-N 3.42Å; D96-T100 WeakPolarHBondContact O-CB 3.37Å; D96-T100 VanDerWaalsContact O-CG2 3.26Å; D96-T100 WeakPolarHBondContact O-CG2 3.35Å; D96-T100 PolarHBondContact O-N 2.72Å; D96-T100 PolarHBondContact O-OG1 3.37Å; D96-R121 IonicContact OD1-CZ 3.76Å; D96-R121 IonicContact OD1-NH1 2.75Å; D96-R121 PolarHBondContact OD1-NH1 3.4Å
97	M	93.4	Very high	91.8	Very high	18 Å²	18	50.6 Å²	50.6	9%	0.089	27%	0.273	C	S	.	.	H	α-helix	trans	-61.4	-47.6	176.5	-70.4	170.6	-177.7	0	0	111.6	L66 V69 M70 Y73 V93 I94 Q95 C99 T100 T101	L66-M97 HydrophobicContact CD2-CB 3.97Å; V69-M97 HydrophobicContact CG1-CE 4.05Å; V69-M97 HydrophobicContact CG1-CG 4.1Å; V69-M97 HydrophobicContact CG1-SD 4.08Å; M70-M97 HydrophobicContact CB-CE 4.25Å; M70-M97 HydrophobicContact CB-SD 3.94Å; M70-M97 HydrophobicContact CG-SD 4.46Å; M70-M97 HydrophobicContact SD-CE 3.57Å; M70-M97 VanDerWaalsContact SD-CE 3.57Å; M70-M97 HydrophobicContact SD-SD 3.88Å; Y73-M97 HydrophobicContact CG-CE 4.02Å; V93-M97 HydrophobicContact CG1-CE 3.39Å; V93-M97 HydrophobicContact CG1-SD 4.23Å; V93-M97 VanDerWaalsContact O-CG 3.28Å; V93-M97 WeakPolarHBondContact O-CG 3.42Å; V93-M97 PolarHBondContact O-N 3.25Å; I94-M97 WeakPolarHBondContact O-CB 3.33Å; I94-M97 PolarHBondContact O-N 2.76Å; Q95-M97 VanDerWaalsContact C-N 3.32Å; Q95-M97 PolarHBondContact O-N 3.03Å; M97-C99 VanDerWaalsContact C-N 3.26Å; M97-C99 PolarHBondContact O-N 3.38Å; M97-T100 PolarHBondContact O-N 3.09Å; M97-T100 PolarHBondContact O-OG1 3.21Å; M97-T101 PolarHBondContact O-N 3.39Å; M97-T101 VanDerWaalsContact O-N 3.1Å; M97-T101 PolarHBondContact O-OG1 3Å
98	I	95.4	Very high	92.2	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-55.6	-44.7	174.8	-67.8	166.2	0	0	0	110.6	V51 V55 L66 I94 Q95 L104 P105 V110 F125	V51-I98 HydrophobicContact CG2-CD1 4.24Å; V51-I98 HydrophobicContact CG2-CG1 4.34Å; V55-I98 HydrophobicContact CG2-CD1 4.29Å; V55-I98 HydrophobicContact CG2-CG2 4.19Å; L66-I98 HydrophobicContact CD1-CG1 4.33Å; I94-I98 HydrophobicContact CG2-CD1 4.24Å; I94-I98 WeakPolarHBondContact O-CG1 3.34Å; I94-I98 PolarHBondContact O-N 2.73Å; Q95-I98 PolarHBondContact O-N 2.74Å; I98-L104 HydrophobicContact CG2-CD2 3.83Å; I98-P105 WeakPolarHBondContact O-CG 3.46Å; I98-V110 HydrophobicContact CG2-CG2 4.13Å; I98-F125 HydrophobicContact CB-CZ 4.39Å; I98-F125 HydrophobicContact CD1-CE1 4.3Å; I98-F125 HydrophobicContact CG2-CE1 4Å; I98-F125 HydrophobicContact CG2-CZ 3.92Å
99	C	95.9	Very high	92.4	Very high	28 Å²	28	47.7 Å²	47.7	19%	0.189	25%	0.253	C	S	.	.	H	α-helix	trans	-76.3	-22.4	-175.2	-70.3	0	0	0	0	115.1	Q95 D96 M97 C114	Q95-C99 WeakPolarHBondContact O-CB 3.27Å; Q95-C99 PolarHBondContact O-N 3.16Å; Q95-C99 PolarHBondContact O-SG 3.18Å; D96-C99 PolarHBondContact O-N 3.42Å; M97-C99 VanDerWaalsContact C-N 3.26Å; M97-C99 PolarHBondContact O-N 3.38Å; C99-C114 WeakPolarHBondContact CA-SG 3.4Å; C99-C114 HydrophobicContact CB-CB 3.59Å; C99-C114 WeakPolarHBondContact CB-SG 3.45Å; C99-C114 WeakPolarHBondContact SG-CA 3.38Å; C99-C114 WeakPolarHBondContact SG-CB 3.47Å; C99-C114 CovalentContact SG-SG 2.04Å; C99-C114 PolarHBondContact SG-SG 3.48Å
100	T	93.5	Very high	92.9	Very high	111 Å²	111	44.7 Å²	44.7	68%	0.681	24%	0.238	S	C	*	.	H	α-helix	trans	-97.1	-18.3	-178.2	52.3	0	0	0	0	113.1	D96 M97 E102	D96-T100 WeakPolarHBondContact O-CB 3.37Å; D96-T100 VanDerWaalsContact O-CG2 3.26Å; D96-T100 WeakPolarHBondContact O-CG2 3.35Å; D96-T100 PolarHBondContact O-N 2.72Å; D96-T100 PolarHBondContact O-OG1 3.37Å; M97-T100 PolarHBondContact O-N 3.09Å; M97-T100 PolarHBondContact O-OG1 3.21Å; T100-E102 PolarHBondContact O-N 3.43Å
101	T	92.4	Very high	93.2	Very high	26 Å²	26	46.3 Å²	46.3	16%	0.16	25%	0.248	C	C	.	.	S	Bend	trans	-63.7	119.2	173.2	-63.6	0	0	0	0	110.7	M65 L66 M97 G103 L104 P105	M65-T101 HydrophobicContact SD-CG2 3.86Å; L66-T101 WeakPolarHBondContact CD2-OG1 3.41Å; M97-T101 PolarHBondContact O-N 3.39Å; M97-T101 VanDerWaalsContact O-N 3.1Å; M97-T101 PolarHBondContact O-OG1 3Å; T101-G103 PolarHBondContact O-N 3.18Å; T101-L104 HydrophobicContact CG2-CB 3.75Å; T101-L104 HydrophobicContact CG2-CD1 3.81Å; T101-L104 HydrophobicContact CG2-CG 4.45Å; T101-L104 PolarHBondContact O-N 3.48Å; T101-P105 WeakPolarHBondContact O-CD 3.42Å
102	E	89.9	Confident	93.5	Very high	194 Å²	194	50.1 Å²	50.1	91%	0.907	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	127.8	-175.1	-170.7	176.5	-179	0	0	111.9	T100 L104	T100-E102 PolarHBondContact O-N 3.43Å; E102-L104 PolarHBondContact O-N 3.37Å
103	G	89.5	Confident	93.8	Very high	38 Å²	38	47.9 Å²	47.9	39%	0.392	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.6	-19.6	177.2	0	0	0	0	0	116	T101 Q106 K107	T101-G103 PolarHBondContact O-N 3.18Å; G103-Q106 PolarHBondContact O-N 2.84Å; G103-K107 VanDerWaalsContact O-CB 3.25Å; G103-K107 WeakPolarHBondContact O-CB 3.31Å; G103-K107 PolarHBondContact O-N 3.41Å
104	L	93.5	Very high	94	Very high	3 Å²	3	48.7 Å²	48.7	2%	0.016	26%	0.262	C	S	.	.	H	α-helix	trans	-62.6	-47.9	-177.6	-172.4	163.3	0	0	0	112.1	E62 L66 I98 T101 E102 Q106 K107 H108	E62-L104 HydrophobicContact CB-CD1 4.44Å; L66-L104 HydrophobicContact CD1-CD1 3.92Å; I98-L104 HydrophobicContact CG2-CD2 3.83Å; T101-L104 HydrophobicContact CG2-CB 3.75Å; T101-L104 HydrophobicContact CG2-CD1 3.81Å; T101-L104 HydrophobicContact CG2-CG 4.45Å; T101-L104 PolarHBondContact O-N 3.48Å; E102-L104 PolarHBondContact O-N 3.37Å; L104-Q106 VanDerWaalsContact C-N 3.31Å; L104-Q106 PolarHBondContact O-N 2.83Å; L104-K107 PolarHBondContact O-N 3.23Å; L104-H108 PolarHBondContact O-CD2 3.36Å; L104-H108 PolarHBondContact O-N 2.95Å; L104-H108 VanDerWaalsContact O-N 3.12Å
105	P	93.3	Very high	94.1	Very high	4 Å²	4	53.3 Å²	53.3	3%	0.026	29%	0.294	C	S	.	.	H	α-helix	trans	-61.3	-36.7	178.9	-26.6	35.7	0	0	0	114.4	I98 T101 N109 V110 S111	I98-P105 WeakPolarHBondContact O-CG 3.46Å; T101-P105 WeakPolarHBondContact O-CD 3.42Å; P105-N109 PolarHBondContact O-N 3.14Å; P105-V110 HydrophobicContact CB-CG2 4.15Å; P105-V110 PolarHBondContact O-N 3.44Å; P105-S111 PolarHBondContact O-N 2.62Å; P105-S111 VanDerWaalsContact O-N 3.11Å
106	Q	92.9	Very high	94.1	Very high	129 Å²	129	56.9 Å²	56.9	60%	0.603	31%	0.31	S	S	*	.	H	α-helix	trans	-73.4	-43.2	179.2	-64.8	76.6	14.2	0	0	110.8	G103 L104 H108 N109	G103-Q106 PolarHBondContact O-N 2.84Å; L104-Q106 VanDerWaalsContact C-N 3.31Å; L104-Q106 PolarHBondContact O-N 2.83Å; Q106-H108 VanDerWaalsContact C-N 3.33Å; Q106-H108 PolarHBondContact O-N 3.49Å; Q106-N109 PolarHBondContact O-N 3.28Å
107	K	95.1	Very high	93.9	Very high	130 Å²	130	57.3 Å²	57.3	57%	0.565	32%	0.319	S	S	*	.	H	α-helix	trans	-59.9	-41.6	179.9	-178.3	-179.3	173.2	-171	0	112.4	E62 G103 L104	E62-K107 WeakPolarHBondContact OE1-CD 3.46Å; E62-K107 IonicContact OE1-NZ 2.82Å; E62-K107 PolarHBondContact OE1-NZ 3.36Å; E62-K107 IonicContact OE2-NZ 3.82Å; G103-K107 VanDerWaalsContact O-CB 3.25Å; G103-K107 WeakPolarHBondContact O-CB 3.31Å; G103-K107 PolarHBondContact O-N 3.41Å; L104-K107 PolarHBondContact O-N 3.23Å
108	H	94.1	Very high	93.7	Very high	23 Å²	23	62 Å²	62	11%	0.106	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.1	14.6	-175.3	-59.6	-62.6	0	0	0	114.1	V55 E57 E62 L104 Q106 V110	V55-H108 HydrophobicContact CG1-CB 3.45Å; V55-H108 VanDerWaalsContact CG1-CB 3.45Å; E57-H108 PolarHBondContact O-CE1 3.03Å; E62-H108 IonicContact OE1-NE2 2.73Å; E62-H108 IonicContact OE2-CD2 3.3Å; E62-H108 IonicContact OE2-CE1 2.76Å; E62-H108 PolarHBondContact OE2-CE1 3.3Å; E62-H108 IonicContact OE2-NE2 3.7Å; E62-H108 PolarHBondContact OE2-NE2 3.4Å; L104-H108 PolarHBondContact O-CD2 3.36Å; L104-H108 PolarHBondContact O-N 2.95Å; L104-H108 VanDerWaalsContact O-N 3.12Å; Q106-H108 VanDerWaalsContact C-N 3.33Å; Q106-H108 PolarHBondContact O-N 3.49Å; H108-V110 VanDerWaalsContact C-N 3.28Å; H108-V110 PolarHBondContact O-N 3.13Å
109	N	91.6	Very high	93.4	Very high	115 Å²	115	66.9 Å²	66.9	62%	0.615	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.2	32	176.6	-164.4	34.9	0	0	0	115.3	P105 Q106 H112	P105-N109 PolarHBondContact O-N 3.14Å; Q106-N109 PolarHBondContact O-N 3.28Å; N109-H112 PolarHBondContact O-CE1 2.99Å; N109-H112 PolarHBondContact O-ND1 3.23Å
110	V	95.3	Very high	93.3	Very high	0 Å²	0	71.3 Å²	71.3	0%	0	39%	0.387	C	S	.	.			trans	-104.9	5.4	176.2	-61.4	0	0	0	0	113.4	V55 I98 P105 H108 H112 C113 C114 F125 N128	V55-V110 HydrophobicContact CG1-CG1 4.45Å; V55-V110 HydrophobicContact CG2-CG1 4.18Å; I98-V110 HydrophobicContact CG2-CG2 4.13Å; P105-V110 HydrophobicContact CB-CG2 4.15Å; P105-V110 PolarHBondContact O-N 3.44Å; H108-V110 VanDerWaalsContact C-N 3.28Å; H108-V110 PolarHBondContact O-N 3.13Å; V110-H112 PolarHBondContact O-N 2.89Å; V110-C113 WeakPolarHBondContact O-CB 3.24Å; V110-C113 PolarHBondContact O-N 2.64Å; V110-C114 PolarHBondContact O-N 2.92Å; V110-C114 VanDerWaalsContact O-N 3.12Å; V110-C114 PolarHBondContact O-SG 3.47Å; V110-F125 HydrophobicContact CB-CE1 4.24Å; V110-F125 HydrophobicContact CG1-CE1 4.47Å; V110-N128 WeakPolarHBondContact CG1-ND2 3.36Å
111	S	95.4	Very high	93.4	Very high	48 Å²	48	67.9 Å²	67.9	34%	0.336	36%	0.362	S	S	.	.	H	α-helix	trans	-55.6	-35.5	175.4	60.6	0	0	0	0	113.1	P105 C113 C114 S115	P105-S111 PolarHBondContact O-N 2.62Å; P105-S111 VanDerWaalsContact O-N 3.11Å; S111-C113 VanDerWaalsContact C-N 3.3Å; S111-C113 PolarHBondContact O-N 2.96Å; S111-C114 PolarHBondContact O-N 2.68Å; S111-C114 VanDerWaalsContact O-N 3.16Å; S111-S115 PolarHBondContact O-N 3.41Å
112	H	95.9	Very high	93.4	Very high	80 Å²	80	68.8 Å²	68.8	37%	0.37	36%	0.363	S	S	.	.	H	α-helix	trans	-62.5	-36	176.8	72.1	-81.4	0	0	0	112.2	N109 V110 S115 C124	N109-H112 PolarHBondContact O-CE1 2.99Å; N109-H112 PolarHBondContact O-ND1 3.23Å; V110-H112 PolarHBondContact O-N 2.89Å; H112-S115 PolarHBondContact O-OG 3.46Å; H112-C124 PolarHBondContact CD2-SG 2.65Å; H112-C124 PolarHBondContact NE2-SG 3.23Å; H112-C124 VanDerWaalsContact NE2-SG 3.42Å
113	C	96.9	Very high	93.5	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-71.8	-40.6	171.7	-61.7	0	0	0	0	112.1	V110 S111 S115 K116 C124 F125	V110-C113 WeakPolarHBondContact O-CB 3.24Å; V110-C113 PolarHBondContact O-N 2.64Å; S111-C113 VanDerWaalsContact C-N 3.3Å; S111-C113 PolarHBondContact O-N 2.96Å; C113-S115 PolarHBondContact O-N 2.89Å; C113-K116 WeakPolarHBondContact O-CB 3.23Å; C113-K116 PolarHBondContact O-N 2.94Å; C113-C124 WeakPolarHBondContact CA-SG 3.29Å; C113-C124 HydrophobicContact CB-CB 3.66Å; C113-C124 WeakPolarHBondContact CB-SG 3.39Å; C113-C124 WeakPolarHBondContact SG-CB 3.04Å; C113-C124 PolarHBondContact SG-O 2.65Å; C113-C124 CovalentContact SG-SG 2.05Å; C113-C124 PolarHBondContact SG-SG 3.47Å; C113-F125 HydrophobicContact CB-CD2 4.11Å; C113-F125 HydrophobicContact CB-CE2 4.02Å; C113-F125 HydrophobicContact CB-CG 4.47Å; C113-F125 HydrophobicContact CB-CZ 4.32Å
114	C	96.9	Very high	93.8	Very high	25 Å²	25	62 Å²	62	17%	0.169	32%	0.324	C	S	.	.	H	α-helix	trans	-64.5	-24.1	179.4	-64.9	0	0	0	0	114.2	C99 V110 S111 K116	C99-C114 WeakPolarHBondContact CA-SG 3.4Å; C99-C114 HydrophobicContact CB-CB 3.59Å; C99-C114 WeakPolarHBondContact CB-SG 3.45Å; C99-C114 WeakPolarHBondContact SG-CA 3.38Å; C99-C114 WeakPolarHBondContact SG-CB 3.47Å; C99-C114 CovalentContact SG-SG 2.04Å; C99-C114 PolarHBondContact SG-SG 3.48Å; V110-C114 PolarHBondContact O-N 2.92Å; V110-C114 VanDerWaalsContact O-N 3.12Å; V110-C114 PolarHBondContact O-SG 3.47Å; S111-C114 PolarHBondContact O-N 2.68Å; S111-C114 VanDerWaalsContact O-N 3.16Å; C114-K116 PolarHBondContact O-N 2.86Å
115	S	95.4	Very high	94	Very high	102 Å²	102	61.8 Å²	61.8	71%	0.713	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-14.8	172.5	75.2	0	0	0	0	114.1	S111 H112 C113	S111-S115 PolarHBondContact O-N 3.41Å; H112-S115 PolarHBondContact O-OG 3.46Å; C113-S115 PolarHBondContact O-N 2.89Å
116	K	96.1	Very high	94	Very high	77 Å²	77	61.7 Å²	61.7	34%	0.335	32%	0.322	S	S	.	.	S	Bend	trans	-92	170.6	178.2	-60	174.6	173.4	-64.3	0	110.9	C113 C114 E120 R121 C124	C113-K116 WeakPolarHBondContact O-CB 3.23Å; C113-K116 PolarHBondContact O-N 2.94Å; C114-K116 PolarHBondContact O-N 2.86Å; K116-E120 HydrophobicContact CB-CB 4.02Å; K116-E120 HydrophobicContact CD-CB 4.2Å; K116-E120 HydrophobicContact CG-CB 4.43Å; K116-E120 IonicContact NZ-OE2 3.77Å; K116-R121 HydrophobicContact CB-CB 4.08Å; K116-R121 VanDerWaalsContact O-CZ 3.22Å; K116-R121 PolarHBondContact O-NE 3.39Å; K116-R121 PolarHBondContact O-NH2 2.7Å; K116-C124 HydrophobicContact CD-CB 3.82Å
117	A	90.4	Very high	94.1	Very high	52 Å²	52	61.3 Å²	61.3	43%	0.43	32%	0.316	S	S	.	.			trans	-130.9	159.1	176.5	0	0	0	0	0	112	I119 E120 R121	A117-I119 PolarHBondContact O-N 3.45Å; A117-E120 PolarHBondContact O-N 3.36Å; A117-R121 PolarHBondContact O-N 3.47Å
118	N	87.6	Confident	94	Very high	116 Å²	116	56.5 Å²	56.5	62%	0.62	30%	0.297	S	S	*	.	H	α-helix	trans	49.1	-127.9	171.9	-53.1	-27.6	0	0	0	112.6	E120 R121 R122	N118-E120 VanDerWaalsContact C-N 3.33Å; N118-E120 PolarHBondContact O-N 2.84Å; N118-R121 PolarHBondContact O-N 3.19Å; N118-R122 WeakPolarHBondContact O-CG 3.32Å; N118-R122 PolarHBondContact O-N 2.58Å; N118-R122 VanDerWaalsContact O-N 3.1Å
119	I	89.3	Confident	94	Very high	104 Å²	104	55.6 Å²	55.6	53%	0.533	29%	0.292	S	S	.	.	H	α-helix	trans	-58.2	-41.2	-178.1	-61.4	168.4	0	0	0	111.9	A117 R121 R122 L123	A117-I119 PolarHBondContact O-N 3.45Å; I119-R121 VanDerWaalsContact C-N 3.29Å; I119-R121 PolarHBondContact O-N 2.89Å; I119-R122 PolarHBondContact O-N 2.88Å; I119-L123 HydrophobicContact CG2-CD1 3.9Å; I119-L123 HydrophobicContact CG2-CG 4.19Å; I119-L123 WeakPolarHBondContact O-CB 3.49Å; I119-L123 WeakPolarHBondContact O-CG 3.47Å; I119-L123 PolarHBondContact O-N 3.22Å
120	E	93.8	Very high	94	Very high	120 Å²	120	54.4 Å²	54.4	56%	0.561	28%	0.282	S	S	*	.	H	α-helix	trans	-63.8	-36.9	-179.3	-66.6	-172.3	-171	0	0	112.2	K116 A117 N118 C124	K116-E120 HydrophobicContact CB-CB 4.02Å; K116-E120 HydrophobicContact CD-CB 4.2Å; K116-E120 HydrophobicContact CG-CB 4.43Å; K116-E120 IonicContact NZ-OE2 3.77Å; A117-E120 PolarHBondContact O-N 3.36Å; N118-E120 VanDerWaalsContact C-N 3.33Å; N118-E120 PolarHBondContact O-N 2.84Å; E120-C124 VanDerWaalsContact O-CB 3.28Å; E120-C124 WeakPolarHBondContact O-CB 3.47Å; E120-C124 PolarHBondContact O-N 3.26Å
121	R	95.3	Very high	93.6	Very high	40 Å²	40	57 Å²	57	15%	0.151	30%	0.304	C	S	.	.	H	α-helix	trans	-66.8	-46.8	174.5	-177.3	-176.9	-60	173.1	2.6	110.8	D96 K116 A117 N118 I119 L123 C124 F125	D96-R121 IonicContact OD1-CZ 3.76Å; D96-R121 IonicContact OD1-NH1 2.75Å; D96-R121 PolarHBondContact OD1-NH1 3.4Å; K116-R121 HydrophobicContact CB-CB 4.08Å; K116-R121 VanDerWaalsContact O-CZ 3.22Å; K116-R121 PolarHBondContact O-NE 3.39Å; K116-R121 PolarHBondContact O-NH2 2.7Å; A117-R121 PolarHBondContact O-N 3.47Å; N118-R121 PolarHBondContact O-N 3.19Å; I119-R121 VanDerWaalsContact C-N 3.29Å; I119-R121 PolarHBondContact O-N 2.89Å; R121-L123 PolarHBondContact O-N 2.88Å; R121-C124 WeakPolarHBondContact O-CB 3.06Å; R121-C124 PolarHBondContact O-N 2.84Å; R121-C124 VanDerWaalsContact O-N 3.15Å; R121-F125 HydrophobicContact CG-CD2 3.8Å; R121-F125 HydrophobicContact CG-CE2 3.74Å; R121-F125 WeakPolarHBondContact O-CD2 3.19Å; R121-F125 PolarHBondContact O-N 2.05Å
122	R	93.1	Very high	93.1	Very high	44 Å²	44	59.6 Å²	59.6	17%	0.166	31%	0.309	C	S	.	.	H	α-helix	trans	-59.2	-47.7	179.8	-68.2	-170.2	-65.4	141	-13.3	111.9	N118 I119 C124 F125 F126 E271	N118-R122 WeakPolarHBondContact O-CG 3.32Å; N118-R122 PolarHBondContact O-N 2.58Å; N118-R122 VanDerWaalsContact O-N 3.1Å; I119-R122 PolarHBondContact O-N 2.88Å; R122-C124 VanDerWaalsContact C-N 3.33Å; R122-C124 PolarHBondContact O-N 2.94Å; R122-F125 PolarHBondContact O-N 2.92Å; R122-F126 PolarHBondContact O-N 3.01Å; R122-E271 WeakPolarHBondContact CB-OE1 3.22Å; R122-E271 VanDerWaalsContact CD-OE1 3.24Å; R122-E271 WeakPolarHBondContact CD-OE1 3.17Å; R122-E271 IonicContact CZ-OE1 3.79Å; R122-E271 IonicContact NE-OE1 3.89Å; R122-E271 VanDerWaalsContact NH1-CD 3.34Å; R122-E271 IonicContact NH1-OE1 3.89Å; R122-E271 PolarHBondContact NH1-OE1 3.49Å; R122-E271 IonicContact NH1-OE2 3.54Å; R122-E271 PolarHBondContact NH1-OE2 2.83Å; R122-E271 VanDerWaalsContact NH1-OE2 3.1Å
123	L	92.7	Very high	92.6	Very high	75 Å²	75	57.5 Å²	57.5	39%	0.393	30%	0.302	S	S	.	.	H	α-helix	trans	-61.2	-41.7	174.8	-70.9	176.9	0	0	0	111.8	I119 R121 F125 F126 Y127	I119-L123 HydrophobicContact CG2-CD1 3.9Å; I119-L123 HydrophobicContact CG2-CG 4.19Å; I119-L123 WeakPolarHBondContact O-CB 3.49Å; I119-L123 WeakPolarHBondContact O-CG 3.47Å; I119-L123 PolarHBondContact O-N 3.22Å; R121-L123 PolarHBondContact O-N 2.88Å; L123-F125 PolarHBondContact O-N 3.3Å; L123-F126 WeakPolarHBondContact O-CB 3.32Å; L123-F126 PolarHBondContact O-N 3.25Å; L123-Y127 HydrophobicContact CB-CD2 4.33Å; L123-Y127 HydrophobicContact CB-CE2 4.16Å; L123-Y127 HydrophobicContact CD2-CE2 4.48Å; L123-Y127 WeakPolarHBondContact O-CD2 3.28Å; L123-Y127 PolarHBondContact O-N 2.89Å
124	C	96.2	Very high	92	Very high	14 Å²	14	61.3 Å²	61.3	10%	0.095	34%	0.34	C	S	.	.	H	α-helix	trans	-59.6	-45.6	177	-172.3	0	0	0	0	112.2	H112 C113 K116 E120 R121 R122 F126 Y127 N128	H112-C124 PolarHBondContact CD2-SG 2.65Å; H112-C124 PolarHBondContact NE2-SG 3.23Å; H112-C124 VanDerWaalsContact NE2-SG 3.42Å; C113-C124 WeakPolarHBondContact CA-SG 3.29Å; C113-C124 HydrophobicContact CB-CB 3.66Å; C113-C124 WeakPolarHBondContact CB-SG 3.39Å; C113-C124 WeakPolarHBondContact SG-CB 3.04Å; C113-C124 PolarHBondContact SG-O 2.65Å; C113-C124 CovalentContact SG-SG 2.05Å; C113-C124 PolarHBondContact SG-SG 3.47Å; K116-C124 HydrophobicContact CD-CB 3.82Å; E120-C124 VanDerWaalsContact O-CB 3.28Å; E120-C124 WeakPolarHBondContact O-CB 3.47Å; E120-C124 PolarHBondContact O-N 3.26Å; R121-C124 WeakPolarHBondContact O-CB 3.06Å; R121-C124 PolarHBondContact O-N 2.84Å; R121-C124 VanDerWaalsContact O-N 3.15Å; R122-C124 VanDerWaalsContact C-N 3.33Å; R122-C124 PolarHBondContact O-N 2.94Å; C124-F126 VanDerWaalsContact C-N 3.34Å; C124-F126 PolarHBondContact O-N 3.28Å; C124-Y127 PolarHBondContact O-N 3.26Å; C124-N128 WeakPolarHBondContact O-CB 3.5Å; C124-N128 PolarHBondContact O-N 3.44Å
125	F	96.3	Very high	91.6	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-63.1	-38.7	174.9	-86.9	-71.6	0	0	0	112.9	Y54 V55 Q95 I98 V110 C113 R121 R122 L123 N128	Y54-F125 HydrophobicContact CD1-CB 3.69Å; Y54-F125 HydrophobicContact CD1-CD1 4.35Å; Y54-F125 HydrophobicContact CD1-CG 4.4Å; Y54-F125 HydrophobicContact CE1-CB 3.87Å; Y54-F125 HydrophobicContact CG-CB 4.31Å; Y54-F125 HydrophobicContact CG-CD1 4.2Å; V55-F125 HydrophobicContact CG2-CE1 4.37Å; Q95-F125 HydrophobicContact CB-CD2 4.2Å; Q95-F125 HydrophobicContact CB-CE2 3.89Å; Q95-F125 HydrophobicContact CG-CD2 3.69Å; Q95-F125 HydrophobicContact CG-CE2 3.85Å; Q95-F125 HydrophobicContact CG-CG 4.25Å; I98-F125 HydrophobicContact CB-CZ 4.39Å; I98-F125 HydrophobicContact CD1-CE1 4.3Å; I98-F125 HydrophobicContact CG2-CE1 4Å; I98-F125 HydrophobicContact CG2-CZ 3.92Å; V110-F125 HydrophobicContact CB-CE1 4.24Å; V110-F125 HydrophobicContact CG1-CE1 4.47Å; C113-F125 HydrophobicContact CB-CD2 4.11Å; C113-F125 HydrophobicContact CB-CE2 4.02Å; C113-F125 HydrophobicContact CB-CG 4.47Å; C113-F125 HydrophobicContact CB-CZ 4.32Å; R121-F125 HydrophobicContact CG-CD2 3.8Å; R121-F125 HydrophobicContact CG-CE2 3.74Å; R121-F125 WeakPolarHBondContact O-CD2 3.19Å; R121-F125 PolarHBondContact O-N 2.05Å; R122-F125 PolarHBondContact O-N 2.92Å; L123-F125 PolarHBondContact O-N 3.3Å; F125-N128 PolarHBondContact O-N 3.13Å
126	F	94.8	Very high	91.5	Very high	2 Å²	2	60.2 Å²	60.2	1%	0.009	32%	0.321	C	S	.	.	H	α-helix	trans	-61.3	-46.8	173.8	168	-102.8	0	0	0	112.2	R122 L123 C124 N128 K129 F172 M228 C270 N486	R122-F126 PolarHBondContact O-N 3.01Å; L123-F126 WeakPolarHBondContact O-CB 3.32Å; L123-F126 PolarHBondContact O-N 3.25Å; C124-F126 VanDerWaalsContact C-N 3.34Å; C124-F126 PolarHBondContact O-N 3.28Å; F126-N128 VanDerWaalsContact C-N 3.28Å; F126-N128 PolarHBondContact O-N 2.86Å; F126-K129 WeakPolarHBondContact O-CB 3.49Å; F126-K129 WeakPolarHBondContact O-CG 3.25Å; F126-K129 PolarHBondContact O-N 3.4Å; F126-F172 HydrophobicContact CE2-CE1 4.15Å; F126-M228 HydrophobicContact CE1-CE 4.09Å; F126-M228 HydrophobicContact CE1-CG 4.49Å; F126-M228 HydrophobicContact CE1-SD 3.92Å; F126-M228 HydrophobicContact CE2-CE 4.06Å; F126-M228 HydrophobicContact CZ-CE 3.58Å; F126-M228 HydrophobicContact CZ-CG 4Å; F126-M228 HydrophobicContact CZ-SD 3.81Å; F126-C270 WeakPolarHBondContact CD2-O 3.29Å; F126-C270 WeakPolarHBondContact CE2-O 3.3Å; F126-N486 HydrophobicContact CD1-CB 4.13Å; F126-N486 HydrophobicContact CD2-CB 4.44Å; F126-N486 HydrophobicContact CE1-CB 3.47Å; F126-N486 VanDerWaalsContact CE1-CB 3.47Å; F126-N486 HydrophobicContact CE2-CB 3.81Å; F126-N486 HydrophobicContact CZ-CB 3.28Å; F126-N486 PolarHBondContact O-ND2 2.83Å
127	Y	93.4	Very high	91.2	Very high	120 Å²	120	60.4 Å²	60.4	47%	0.471	33%	0.33	S	S	.	.	H	α-helix	trans	-69.4	-24.2	176.6	-70.8	-62.7	0	0	0	112.9	L123 C124 K129 N486	L123-Y127 HydrophobicContact CB-CD2 4.33Å; L123-Y127 HydrophobicContact CB-CE2 4.16Å; L123-Y127 HydrophobicContact CD2-CE2 4.48Å; L123-Y127 WeakPolarHBondContact O-CD2 3.28Å; L123-Y127 PolarHBondContact O-N 2.89Å; C124-Y127 PolarHBondContact O-N 3.26Å; Y127-K129 PolarHBondContact O-N 3.06Å; Y127-N486 WeakPolarHBondContact CD1-O 3.29Å; Y127-N486 WeakPolarHBondContact CE1-O 3.09Å; Y127-N486 PolarHBondContact O-ND2 3.43Å
128	N	93.1	Very high	91.1	Very high	29 Å²	29	63.6 Å²	63.6	16%	0.155	35%	0.347	C	S	.	.	H	α-helix	trans	-69.6	-18.2	175.7	-168.9	75	0	0	0	113.4	Y54 V110 C124 F125 F126 K130	Y54-N128 PolarHBondContact O-ND2 3.43Å; V110-N128 WeakPolarHBondContact CG1-ND2 3.36Å; C124-N128 WeakPolarHBondContact O-CB 3.5Å; C124-N128 PolarHBondContact O-N 3.44Å; F125-N128 PolarHBondContact O-N 3.13Å; F126-N128 VanDerWaalsContact C-N 3.28Å; F126-N128 PolarHBondContact O-N 2.86Å; N128-K130 PolarHBondContact O-N 3.36Å
129	K	94.6	Very high	91.1	Very high	4 Å²	4	62 Å²	62	2%	0.017	33%	0.334	C	S	.	.			trans	-62.8	132.7	176.9	-63.3	-174.5	169.5	-169.5	0	110.9	Q53 Y54 F126 Y127 P171 F172 N486	Q53-K129 WeakPolarHBondContact O-CG 3.47Å; Y54-K129 HydrophobicContact CD1-CG 4.46Å; F126-K129 WeakPolarHBondContact O-CB 3.49Å; F126-K129 WeakPolarHBondContact O-CG 3.25Å; F126-K129 PolarHBondContact O-N 3.4Å; Y127-K129 PolarHBondContact O-N 3.06Å; K129-P171 HydrophobicContact CB-CB 4.23Å; K129-P171 HydrophobicContact CD-CB 4.35Å; K129-P171 WeakPolarHBondContact CD-O 3.19Å; K129-P171 HydrophobicContact CG-CB 4.49Å; K129-P171 PolarHBondContact NZ-O 2.93Å; K129-F172 HydrophobicContact CB-CE1 3.9Å; K129-F172 HydrophobicContact CB-CE2 4.5Å; K129-F172 HydrophobicContact CB-CZ 3.64Å; K129-F172 HydrophobicContact CD-CD1 4.18Å; K129-F172 HydrophobicContact CD-CE1 3.75Å; K129-F172 HydrophobicContact CD-CZ 4.31Å; K129-F172 HydrophobicContact CG-CE1 4.46Å; K129-N486 PolarHBondContact O-ND2 3.15Å
130	K	91.6	Very high	90.8	Very high	90 Å²	90	60 Å²	60	39%	0.391	33%	0.328	S	S	.	.			trans	-106.2	106.6	-179.9	-63.5	175.1	-175.9	174.3	0	110.2	Q56 E57 N128 K132 F135 P171	Q56-K130 PolarHBondContact NE2-O 3.21Å; Q56-K130 PolarHBondContact OE1-O 3.33Å; E57-K130 IonicContact OE1-NZ 2.8Å; E57-K130 PolarHBondContact OE1-NZ 2.75Å; N128-K130 PolarHBondContact O-N 3.36Å; K130-K132 PolarHBondContact O-N 2.85Å; K130-F135 HydrophobicContact CB-CE1 3.91Å; K130-F135 HydrophobicContact CB-CZ 4.48Å; K130-F135 HydrophobicContact CD-CD1 4.25Å; K130-F135 HydrophobicContact CD-CE1 3.63Å; K130-F135 HydrophobicContact CD-CZ 4.05Å; K130-F135 HydrophobicContact CG-CE1 4.41Å; K130-P171 WeakPolarHBondContact O-CG 3.38Å
131	A	86.8	Confident	90.3	Very high	56 Å²	56	59.5 Å²	59.5	46%	0.463	33%	0.333	S	S	.	.	S	Bend	trans	-55.8	-37.5	173.2	0	0	0	0	0	112.1	F172	A131-F172 HydrophobicContact CB-CE2 3.85Å
132	K	84.2	Confident	89.6	Confident	102 Å²	102	61 Å²	61	44%	0.443	34%	0.344	S	S	.	.			trans	-89	115.6	177.9	-60.5	-178.2	-171.2	-178.6	0	110.3	K130 F135 E446	K130-K132 PolarHBondContact O-N 2.85Å; K132-F135 VanDerWaalsContact O-CE1 3.29Å; K132-F135 WeakPolarHBondContact O-CE1 3.49Å; K132-E446 WeakPolarHBondContact CD-OE1 3.47Å; K132-E446 WeakPolarHBondContact CE-OE1 3.37Å; K132-E446 WeakPolarHBondContact CE-OE2 3.39Å; K132-E446 IonicContact NZ-OE1 3.57Å; K132-E446 PolarHBondContact NZ-OE1 3.5Å; K132-E446 IonicContact NZ-OE2 3.95Å; K132-E446 PolarHBondContact NZ-OE2 3.36Å
133	T	86.1	Confident	89.5	Confident	36 Å²	36	62.7 Å²	62.7	22%	0.221	36%	0.356	C	S	.	.			trans	-107.3	17.8	-172.6	58.1	0	0	0	0	113.7	Q56 F135 L136	Q56-T133 VanDerWaalsContact NE2-CG2 3.28Å; T133-F135 PolarHBondContact O-N 3.13Å; T133-F135 VanDerWaalsContact O-N 3.1Å; T133-L136 VanDerWaalsContact O-CB 3.31Å; T133-L136 WeakPolarHBondContact O-CB 3.44Å; T133-L136 PolarHBondContact O-N 2.89Å
134	G	83.9	Confident	89.4	Confident	79 Å²	79	60.2 Å²	60.2	81%	0.814	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-8.7	179.6	0	0	0	0	0	115.5	L136	G134-L136 VanDerWaalsContact C-N 3.27Å
135	F	89.1	Confident	89.2	Confident	87 Å²	87	64 Å²	64	38%	0.382	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-15.4	169.6	64.1	-91.8	0	0	0	112.7	Q56 E57 K130 K132 T133	Q56-F135 HydrophobicContact CB-CE2 4.14Å; Q56-F135 HydrophobicContact CB-CZ 3.71Å; E57-F135 HydrophobicContact CG-CD2 4.01Å; E57-F135 HydrophobicContact CG-CE2 3.67Å; E57-F135 WeakPolarHBondContact OE1-CE2 3.38Å; K130-F135 HydrophobicContact CB-CE1 3.91Å; K130-F135 HydrophobicContact CB-CZ 4.48Å; K130-F135 HydrophobicContact CD-CD1 4.25Å; K130-F135 HydrophobicContact CD-CE1 3.63Å; K130-F135 HydrophobicContact CD-CZ 4.05Å; K130-F135 HydrophobicContact CG-CE1 4.41Å; K132-F135 VanDerWaalsContact O-CE1 3.29Å; K132-F135 WeakPolarHBondContact O-CE1 3.49Å; T133-F135 PolarHBondContact O-N 3.13Å; T133-F135 VanDerWaalsContact O-N 3.1Å
136	L	92.9	Very high	89.1	Confident	18 Å²	18	69.1 Å²	69.1	9%	0.094	39%	0.385	C	S	.	.	S	Bend	trans	-81	146.7	175.5	-62.7	-179.7	0	0	0	110.6	T133 G134 R168 R169	T133-L136 VanDerWaalsContact O-CB 3.31Å; T133-L136 WeakPolarHBondContact O-CB 3.44Å; T133-L136 PolarHBondContact O-N 2.89Å; G134-L136 VanDerWaalsContact C-N 3.27Å; L136-R168 HydrophobicContact CD1-CB 4.4Å; L136-R168 HydrophobicContact CD1-CG 3.81Å; L136-R168 VanDerWaalsContact CD2-CZ 3.42Å; L136-R168 VanDerWaalsContact CD2-NH2 3.32Å; L136-R169 HydrophobicContact CD1-CG 3.61Å
137	P	90.7	Very high	89	Confident	81 Å²	81	71 Å²	71	53%	0.526	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-62.9	162.6	170.4	29.1	-35.1	0	0	0	110.8	R169	P137-R169 PolarHBondContact O-NH2 3.3Å
138	P	87.8	Confident	89	Confident	119 Å²	119	65.5 Å²	65.5	77%	0.773	37%	0.372	S	S	*	.	S	Bend	trans	-47.4	148.7	169.6	-26.6	34.9	0	0	0	111.5
139	F	87.4	Confident	89.1	Confident	82 Å²	82	69.8 Å²	69.8	36%	0.36	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-54.4	126.7	179.7	-167.8	-81.1	0	0	0	109.5	T141 Y162 E165 V166	F139-T141 HydrophobicContact CD1-CG2 4.41Å; F139-T141 PolarHBondContact O-N 2.87Å; F139-Y162 HydrophobicContact CZ-CD2 4.06Å; F139-Y162 HydrophobicContact CZ-CE2 4.11Å; F139-E165 HydrophobicContact CD2-CB 4.43Å; F139-E165 HydrophobicContact CE2-CB 3.8Å; F139-E165 HydrophobicContact CZ-CB 4.06Å; F139-V166 HydrophobicContact CE2-CG2 3.99Å; F139-V166 HydrophobicContact CZ-CG2 4.27Å
140	P	84.2	Confident	89.1	Confident	61 Å²	61	71.3 Å²	71.3	40%	0.396	40%	0.404	S	S	.	.			trans	-67.8	105.4	-175.7	26.4	-32.8	0	0	0	109.5	E165	P140-E165 HydrophobicContact CG-CB 4.48Å; P140-E165 HydrophobicContact CG-CG 3.66Å
141	T	81.5	Confident	89.2	Confident	111 Å²	111	68.4 Å²	68.4	68%	0.681	39%	0.391	S	S	*	.			trans	-99	101.8	175.3	52.6	0	0	0	0	109.3	F139	F139-T141 HydrophobicContact CD1-CG2 4.41Å; F139-T141 PolarHBondContact O-N 2.87Å
142	L	81.9	Confident	89.5	Confident	71 Å²	71	72.9 Å²	72.9	37%	0.372	40%	0.4	S	S	.	.			trans	-66.4	153.4	167	-67.4	177.2	0	0	0	111	K147	L142-K147 HydrophobicContact CB-CD 4.34Å; L142-K147 HydrophobicContact CB-CG 3.47Å; L142-K147 VanDerWaalsContact CB-CG 3.47Å; L142-K147 HydrophobicContact CD1-CG 4.32Å; L142-K147 HydrophobicContact CG-CG 4.49Å; L142-K147 WeakPolarHBondContact O-CE 2.97Å; L142-K147 PolarHBondContact O-NZ 3.07Å
143	D	89.9	Confident	90	Very high	80 Å²	80	73.8 Å²	73.8	43%	0.428	41%	0.41	S	S	.	.			trans	-57.4	142.8	168.4	178.3	-92.3	0	0	0	110.2	E145 E146 K147	D143-E145 VanDerWaalsContact C-N 3.25Å; D143-E145 PolarHBondContact O-N 3.48Å; D143-E145 WeakPolarHBondContact OD1-CB 3.4Å; D143-E145 PolarHBondContact OD1-N 2.84Å; D143-E146 HydrophobicContact CB-CB 4.2Å; D143-E146 HydrophobicContact CB-CG 4.02Å; D143-E146 PolarHBondContact O-N 3.42Å; D143-E146 VanDerWaalsContact O-N 3.16Å; D143-K147 WeakPolarHBondContact O-CG 3.49Å; D143-K147 PolarHBondContact O-N 3.1Å
144	P	90.8	Very high	90.4	Very high	23 Å²	23	76.3 Å²	76.3	15%	0.149	42%	0.422	C	S	.	.	H	α-helix	trans	-56.9	-34.4	-176.3	-26.1	36.7	0	0	0	114.4	C148 K198 A199 F202	P144-C148 PolarHBondContact O-N 2.62Å; P144-C148 PolarHBondContact O-SG 3.29Å; P144-C148 VanDerWaalsContact O-SG 3.34Å; P144-K198 HydrophobicContact CB-CB 3.86Å; P144-A199 HydrophobicContact CB-CB 4.49Å; P144-A199 HydrophobicContact CG-CB 3.78Å; P144-F202 HydrophobicContact CB-CD2 4.4Å
145	E	92.8	Very high	90.8	Very high	94 Å²	94	76.5 Å²	76.5	44%	0.439	40%	0.404	S	S	.	.	H	α-helix	trans	-70.1	-46.6	176.3	-76.7	51.4	-135.2	0	0	110.4	D143 K147 C148 E149 K198	D143-E145 VanDerWaalsContact C-N 3.25Å; D143-E145 PolarHBondContact O-N 3.48Å; D143-E145 WeakPolarHBondContact OD1-CB 3.4Å; D143-E145 PolarHBondContact OD1-N 2.84Å; E145-K147 VanDerWaalsContact C-N 3.34Å; E145-K147 PolarHBondContact O-N 2.69Å; E145-C148 PolarHBondContact O-N 3.32Å; E145-C148 VanDerWaalsContact O-N 3.16Å; E145-E149 PolarHBondContact O-N 3.37Å; E145-K198 IonicContact OE1-NZ 3.89Å; E145-K198 PolarHBondContact OE1-NZ 3.49Å
146	E	93.3	Very high	90.9	Very high	106 Å²	106	73.6 Å²	73.6	50%	0.495	40%	0.398	S	S	.	.	H	α-helix	trans	-61.2	-39.7	176	-67.4	179.6	172.1	0	0	112.1	D143 C148 E149 A150	D143-E146 HydrophobicContact CB-CB 4.2Å; D143-E146 HydrophobicContact CB-CG 4.02Å; D143-E146 PolarHBondContact O-N 3.42Å; D143-E146 VanDerWaalsContact O-N 3.16Å; E146-C148 VanDerWaalsContact C-N 3.3Å; E146-C148 PolarHBondContact O-N 2.88Å; E146-E149 PolarHBondContact O-N 2.91Å; E146-A150 WeakPolarHBondContact O-CB 3.4Å; E146-A150 PolarHBondContact O-N 3.23Å
147	K	92.1	Very high	90.8	Very high	42 Å²	42	74.7 Å²	74.7	18%	0.183	41%	0.408	C	S	.	.	H	α-helix	trans	-56.5	-47.1	173.3	-77.2	179.1	175	149.9	0	111.3	L142 D143 E145 A150 Y151 F158	L142-K147 HydrophobicContact CB-CD 4.34Å; L142-K147 HydrophobicContact CB-CG 3.47Å; L142-K147 VanDerWaalsContact CB-CG 3.47Å; L142-K147 HydrophobicContact CD1-CG 4.32Å; L142-K147 HydrophobicContact CG-CG 4.49Å; L142-K147 WeakPolarHBondContact O-CE 2.97Å; L142-K147 PolarHBondContact O-NZ 3.07Å; D143-K147 WeakPolarHBondContact O-CG 3.49Å; D143-K147 PolarHBondContact O-N 3.1Å; E145-K147 VanDerWaalsContact C-N 3.34Å; E145-K147 PolarHBondContact O-N 2.69Å; K147-A150 PolarHBondContact O-N 3.11Å; K147-Y151 WeakPolarHBondContact O-CB 3.24Å; K147-Y151 PolarHBondContact O-N 3.25Å; K147-F158 HydrophobicContact CB-CE2 4.36Å; K147-F158 HydrophobicContact CG-CE2 4.48Å
148	C	94.8	Very high	90.9	Very high	4 Å²	4	71.8 Å²	71.8	3%	0.027	39%	0.387	C	S	.	.	H	α-helix	trans	-72.8	-33.1	-177.3	-71.9	0	0	0	0	112.9	P144 E145 E146 K152 C193 K198	P144-C148 PolarHBondContact O-N 2.62Å; P144-C148 PolarHBondContact O-SG 3.29Å; P144-C148 VanDerWaalsContact O-SG 3.34Å; E145-C148 PolarHBondContact O-N 3.32Å; E145-C148 VanDerWaalsContact O-N 3.16Å; E146-C148 VanDerWaalsContact C-N 3.3Å; E146-C148 PolarHBondContact O-N 2.88Å; C148-K152 WeakPolarHBondContact O-CB 3.39Å; C148-K152 WeakPolarHBondContact O-CG 3.1Å; C148-K152 PolarHBondContact O-N 2.94Å; C148-C193 WeakPolarHBondContact CA-SG 3.05Å; C148-C193 HydrophobicContact CB-CB 3.71Å; C148-C193 WeakPolarHBondContact CB-SG 3.3Å; C148-C193 WeakPolarHBondContact SG-CA 3.26Å; C148-C193 WeakPolarHBondContact SG-CB 3.06Å; C148-C193 CovalentContact SG-SG 2.04Å; C148-C193 PolarHBondContact SG-SG 3Å; C148-K198 HydrophobicContact CB-CD 4.41Å
149	E	95	Very high	91.3	Very high	120 Å²	120	66.3 Å²	66.3	56%	0.561	35%	0.351	S	S	*	.	H	α-helix	trans	-64.5	-47.9	170.2	-178	170.9	-176.6	0	0	111	E145 E146 Y151 K152 N153	E145-E149 PolarHBondContact O-N 3.37Å; E146-E149 PolarHBondContact O-N 2.91Å; E149-Y151 VanDerWaalsContact C-N 3.34Å; E149-Y151 PolarHBondContact O-N 3.11Å; E149-K152 PolarHBondContact O-N 3.4Å; E149-N153 WeakPolarHBondContact CG-ND2 3.28Å; E149-N153 VanDerWaalsContact O-CB 3.3Å; E149-N153 WeakPolarHBondContact O-CB 3.43Å; E149-N153 PolarHBondContact O-N 3.3Å; E149-N153 PolarHBondContact O-ND2 3.41Å
150	A	93.4	Very high	91.7	Very high	35 Å²	35	63.7 Å²	63.7	29%	0.289	34%	0.341	S	S	.	.	H	α-helix	trans	-58.3	-45.3	176.5	0	0	0	0	0	112	E146 K147 N153 N154 F158	E146-A150 WeakPolarHBondContact O-CB 3.4Å; E146-A150 PolarHBondContact O-N 3.23Å; K147-A150 PolarHBondContact O-N 3.11Å; A150-N153 PolarHBondContact O-N 3Å; A150-N154 CarbonylContact O-C 3.37Å; A150-N154 PolarHBondContact O-N 3.31Å; A150-F158 HydrophobicContact CB-CD2 3.89Å; A150-F158 HydrophobicContact CB-CE2 4.48Å
151	Y	94.6	Very high	92.2	Very high	30 Å²	30	63.8 Å²	63.8	12%	0.118	34%	0.338	C	S	.	.	H	α-helix	trans	-63.1	-42.1	176.9	-178.4	-112.3	0	0	0	112.6	K147 E149 N155 F158 E186 A189 T190	K147-Y151 WeakPolarHBondContact O-CB 3.24Å; K147-Y151 PolarHBondContact O-N 3.25Å; E149-Y151 VanDerWaalsContact C-N 3.34Å; E149-Y151 PolarHBondContact O-N 3.11Å; Y151-N155 HydrophobicContact CD2-CB 3.81Å; Y151-N155 HydrophobicContact CE2-CB 3.63Å; Y151-N155 WeakPolarHBondContact O-CA 3.07Å; Y151-N155 WeakPolarHBondContact O-CB 3.38Å; Y151-N155 PolarHBondContact O-N 3.05Å; Y151-N155 VanDerWaalsContact O-N 3.1Å; Y151-F158 AromaticContact CD2-CD1 3.56Å; Y151-F158 HydrophobicContact CD2-CD1 3.56Å; Y151-F158 AromaticContact CD2-CE1 3.92Å; Y151-F158 HydrophobicContact CD2-CE1 3.92Å; Y151-F158 HydrophobicContact CD2-CG 4.34Å; Y151-F158 HydrophobicContact CG-CD1 4.25Å; Y151-F158 HydrophobicContact CG-CE1 4.38Å; Y151-E186 HydrophobicContact CE2-CG 4.36Å; Y151-A189 HydrophobicContact CD1-CB 4.29Å; Y151-A189 HydrophobicContact CD2-CB 4.17Å; Y151-A189 HydrophobicContact CE1-CB 4.33Å; Y151-A189 HydrophobicContact CE2-CB 4.19Å; Y151-A189 HydrophobicContact CG-CB 4.21Å; Y151-T190 PolarHBondContact OH-OG1 2.91Å
152	K	93.9	Very high	92.9	Very high	149 Å²	149	60 Å²	60	65%	0.648	31%	0.311	S	S	*	.	H	α-helix	trans	-69.2	-36.9	177.7	-75.5	175	-176.8	179.8	0	112.8	C148 E149	C148-K152 WeakPolarHBondContact O-CB 3.39Å; C148-K152 WeakPolarHBondContact O-CG 3.1Å; C148-K152 PolarHBondContact O-N 2.94Å; E149-K152 PolarHBondContact O-N 3.4Å
153	N	94.8	Very high	93.6	Very high	121 Å²	121	56.7 Å²	56.7	65%	0.647	29%	0.294	S	S	*	.	H	α-helix	trans	-72.5	-44.9	-178.4	-72.5	-15.3	0	0	0	111.7	E149 A150	E149-N153 WeakPolarHBondContact CG-ND2 3.28Å; E149-N153 VanDerWaalsContact O-CB 3.3Å; E149-N153 WeakPolarHBondContact O-CB 3.43Å; E149-N153 PolarHBondContact O-N 3.3Å; E149-N153 PolarHBondContact O-ND2 3.41Å; A150-N153 PolarHBondContact O-N 3Å
154	N	93.3	Very high	94	Very high	90 Å²	90	53.2 Å²	53.2	48%	0.481	28%	0.275	S	S	.	.			trans	-155.4	88.8	177.7	-172.3	-20.1	0	0	0	110.5	A150 G156 S157 F158	A150-N154 CarbonylContact O-C 3.37Å; A150-N154 PolarHBondContact O-N 3.31Å; N154-G156 VanDerWaalsContact C-N 3.28Å; N154-G156 PolarHBondContact O-N 3.36Å; N154-G156 PolarHBondContact OD1-N 3.02Å; N154-S157 PolarHBondContact O-N 3.19Å; N154-S157 PolarHBondContact OD1-N 3.16Å; N154-F158 WeakPolarHBondContact O-CB 3.14Å; N154-F158 PolarHBondContact O-N 2.86Å; N154-F158 VanDerWaalsContact O-N 3.08Å
155	N	92	Very high	94.3	Very high	83 Å²	83	53.2 Å²	53.2	44%	0.444	27%	0.273	S	S	.	.	H	α-helix	trans	-57.4	-39.4	179.7	64.5	-9.6	0	0	0	112.7	Y151 F158 L159	Y151-N155 HydrophobicContact CD2-CB 3.81Å; Y151-N155 HydrophobicContact CE2-CB 3.63Å; Y151-N155 WeakPolarHBondContact O-CA 3.07Å; Y151-N155 WeakPolarHBondContact O-CB 3.38Å; Y151-N155 PolarHBondContact O-N 3.05Å; Y151-N155 VanDerWaalsContact O-N 3.1Å; N155-F158 PolarHBondContact O-N 3.38Å; N155-L159 WeakPolarHBondContact O-CB 3.47Å; N155-L159 VanDerWaalsContact O-CG 3.27Å; N155-L159 WeakPolarHBondContact O-CG 3.33Å; N155-L159 PolarHBondContact O-N 3.07Å
156	G	91.4	Very high	94.6	Very high	25 Å²	25	49 Å²	49	26%	0.258	25%	0.253	S	S	.	.	H	α-helix	trans	-63.4	-49.4	-179.4	0	0	0	0	0	112.9	N154 F158 L159 N160	N154-G156 VanDerWaalsContact C-N 3.28Å; N154-G156 PolarHBondContact O-N 3.36Å; N154-G156 PolarHBondContact OD1-N 3.02Å; G156-F158 VanDerWaalsContact C-N 3.35Å; G156-F158 PolarHBondContact O-N 2.85Å; G156-L159 PolarHBondContact O-N 3.13Å; G156-N160 VanDerWaalsContact O-CB 3.31Å; G156-N160 WeakPolarHBondContact O-CB 3.43Å; G156-N160 PolarHBondContact O-N 2.74Å; G156-N160 PolarHBondContact O-ND2 3.45Å; G156-N160 PolarHBondContact O-OD1 3.19Å
157	S	91.1	Very high	94.8	Very high	41 Å²	41	43.9 Å²	43.9	29%	0.287	23%	0.229	S	C	.	.	H	α-helix	trans	-65.2	-39.3	177.1	-176.1	0	0	0	0	111.7	N154 N160 L161	N154-S157 PolarHBondContact O-N 3.19Å; N154-S157 PolarHBondContact OD1-N 3.16Å; S157-N160 PolarHBondContact O-N 2.8Å; S157-L161 PolarHBondContact O-N 2.88Å
158	F	93.2	Very high	95.1	Very high	21 Å²	21	42.9 Å²	42.9	9%	0.092	22%	0.224	C	C	.	.	H	α-helix	trans	-59.6	-48.2	175.6	174.5	-97.8	0	0	0	112.6	K147 A150 Y151 N154 N155 G156 L161 Y162 F185 A189	K147-F158 HydrophobicContact CB-CE2 4.36Å; K147-F158 HydrophobicContact CG-CE2 4.48Å; A150-F158 HydrophobicContact CB-CD2 3.89Å; A150-F158 HydrophobicContact CB-CE2 4.48Å; Y151-F158 AromaticContact CD2-CD1 3.56Å; Y151-F158 HydrophobicContact CD2-CD1 3.56Å; Y151-F158 AromaticContact CD2-CE1 3.92Å; Y151-F158 HydrophobicContact CD2-CE1 3.92Å; Y151-F158 HydrophobicContact CD2-CG 4.34Å; Y151-F158 HydrophobicContact CG-CD1 4.25Å; Y151-F158 HydrophobicContact CG-CE1 4.38Å; N154-F158 WeakPolarHBondContact O-CB 3.14Å; N154-F158 PolarHBondContact O-N 2.86Å; N154-F158 VanDerWaalsContact O-N 3.08Å; N155-F158 PolarHBondContact O-N 3.38Å; G156-F158 VanDerWaalsContact C-N 3.35Å; G156-F158 PolarHBondContact O-N 2.85Å; F158-L161 PolarHBondContact O-N 3.12Å; F158-Y162 PolarHBondContact O-N 2.71Å; F158-F185 HydrophobicContact CD1-CE1 4.35Å; F158-F185 HydrophobicContact CE1-CD1 4.41Å; F158-F185 AromaticContact CE1-CE1 3.42Å; F158-F185 HydrophobicContact CE1-CE1 3.42Å; F158-F185 VanDerWaalsContact CE1-CE1 3.42Å; F158-F185 AromaticContact CE1-CZ 3.94Å; F158-F185 HydrophobicContact CE1-CZ 3.94Å; F158-F185 AromaticContact CZ-CE1 3.74Å; F158-F185 HydrophobicContact CZ-CE1 3.74Å; F158-F185 AromaticContact CZ-CZ 3.79Å; F158-F185 HydrophobicContact CZ-CZ 3.79Å; F158-A189 HydrophobicContact CE1-CB 4.23Å
159	L	94.9	Very high	95.2	Very high	3 Å²	3	44.5 Å²	44.5	2%	0.016	23%	0.23	C	C	.	.	H	α-helix	trans	-71	-33.9	179	-66	169.9	0	0	0	112.2	Y45 N155 G156 Y162 M163 F185 E186	Y45-L159 HydrophobicContact CE1-CB 4.18Å; Y45-L159 WeakPolarHBondContact OH-CB 3.35Å; Y45-L159 WeakPolarHBondContact OH-CD1 3.18Å; N155-L159 WeakPolarHBondContact O-CB 3.47Å; N155-L159 VanDerWaalsContact O-CG 3.27Å; N155-L159 WeakPolarHBondContact O-CG 3.33Å; N155-L159 PolarHBondContact O-N 3.07Å; G156-L159 PolarHBondContact O-N 3.13Å; L159-Y162 PolarHBondContact O-N 2.96Å; L159-M163 WeakPolarHBondContact O-CB 3.32Å; L159-M163 PolarHBondContact O-N 3.28Å; L159-F185 HydrophobicContact CD2-CD1 3.96Å; L159-F185 HydrophobicContact CD2-CE1 4.39Å; L159-E186 HydrophobicContact CD1-CB 4.09Å; L159-E186 VanDerWaalsContact CD1-CD 3.41Å; L159-E186 HydrophobicContact CD1-CG 3.84Å; L159-E186 WeakPolarHBondContact CD1-OE1 3.17Å; L159-E186 HydrophobicContact CD2-CB 3.83Å; L159-E186 HydrophobicContact CD2-CG 4.31Å
160	N	96.1	Very high	95.2	Very high	28 Å²	28	40.2 Å²	40.2	15%	0.15	21%	0.211	C	C	.	.	H	α-helix	trans	-60.8	-44.5	172.8	-75.9	-11.6	0	0	0	111.5	Y45 I48 F60 G156 S157 M163 Y164	Y45-N160 WeakPolarHBondContact CE1-OD1 3.4Å; I48-N160 HydrophobicContact CD1-CB 3.53Å; I48-N160 WeakPolarHBondContact CD1-OD1 3.39Å; F60-N160 HydrophobicContact CE2-CB 4.1Å; F60-N160 HydrophobicContact CZ-CB 3.84Å; G156-N160 VanDerWaalsContact O-CB 3.31Å; G156-N160 WeakPolarHBondContact O-CB 3.43Å; G156-N160 PolarHBondContact O-N 2.74Å; G156-N160 PolarHBondContact O-ND2 3.45Å; G156-N160 PolarHBondContact O-OD1 3.19Å; S157-N160 PolarHBondContact O-N 2.8Å; N160-M163 PolarHBondContact O-N 3.46Å; N160-Y164 WeakPolarHBondContact O-CB 3.42Å; N160-Y164 PolarHBondContact O-N 2.62Å
161	L	95.8	Very high	95.4	Very high	62 Å²	62	38.8 Å²	38.8	33%	0.325	20%	0.199	S	C	.	.	H	α-helix	trans	-63.9	-43.8	176.8	179.5	64.2	0	0	0	111.2	F60 S157 F158 M163 Y164 E165	F60-L161 HydrophobicContact CB-CD1 4.14Å; F60-L161 HydrophobicContact CD1-CD1 3.83Å; F60-L161 HydrophobicContact CD2-CD1 3.96Å; F60-L161 HydrophobicContact CE1-CB 4.08Å; F60-L161 HydrophobicContact CE1-CD1 4.2Å; F60-L161 HydrophobicContact CE2-CB 4.15Å; F60-L161 HydrophobicContact CE2-CD1 4.34Å; F60-L161 HydrophobicContact CG-CD1 3.68Å; F60-L161 HydrophobicContact CZ-CB 3.86Å; F60-L161 HydrophobicContact CZ-CD1 4.44Å; S157-L161 PolarHBondContact O-N 2.88Å; F158-L161 PolarHBondContact O-N 3.12Å; L161-M163 PolarHBondContact O-N 3.27Å; L161-Y164 HydrophobicContact CD1-CD1 4.03Å; L161-Y164 PolarHBondContact O-N 3.48Å; L161-E165 HydrophobicContact CD1-CG 4.34Å; L161-E165 WeakPolarHBondContact O-CG 3.33Å; L161-E165 PolarHBondContact O-N 3.18Å
162	Y	95.4	Very high	95.4	Very high	32 Å²	32	38.2 Å²	38.2	13%	0.125	20%	0.197	C	C	.	.	H	α-helix	trans	-57.6	-49.6	174.3	176.3	-100.5	0	0	0	111.6	F139 F158 L159 Y164 E165 V166 V181 F185	F139-Y162 HydrophobicContact CZ-CD2 4.06Å; F139-Y162 HydrophobicContact CZ-CE2 4.11Å; F158-Y162 PolarHBondContact O-N 2.71Å; L159-Y162 PolarHBondContact O-N 2.96Å; Y162-Y164 VanDerWaalsContact C-N 3.33Å; Y162-Y164 PolarHBondContact O-N 3.29Å; Y162-E165 PolarHBondContact O-N 2.98Å; Y162-V166 HydrophobicContact CD1-CG2 4.29Å; Y162-V166 HydrophobicContact CD2-CG2 4.2Å; Y162-V166 HydrophobicContact CE1-CG2 3.89Å; Y162-V166 HydrophobicContact CE2-CG2 3.79Å; Y162-V166 HydrophobicContact CG-CG2 4.44Å; Y162-V166 WeakPolarHBondContact O-CG2 3.43Å; Y162-V166 PolarHBondContact O-N 2.76Å; Y162-V181 HydrophobicContact CE1-CG1 4.05Å; Y162-V181 WeakPolarHBondContact OH-CG1 3.44Å; Y162-F185 HydrophobicContact CD1-CB 4.11Å; Y162-F185 AromaticContact CD1-CD1 3.48Å; Y162-F185 HydrophobicContact CD1-CD1 3.48Å; Y162-F185 VanDerWaalsContact CD1-CD1 3.48Å; Y162-F185 HydrophobicContact CD1-CE1 4.05Å; Y162-F185 AromaticContact CD1-CG 3.85Å; Y162-F185 HydrophobicContact CD1-CG 3.85Å; Y162-F185 AromaticContact CD2-CD1 3.69Å; Y162-F185 HydrophobicContact CD2-CD1 3.69Å; Y162-F185 HydrophobicContact CD2-CD2 4.1Å; Y162-F185 AromaticContact CD2-CE1 3.5Å; Y162-F185 HydrophobicContact CD2-CE1 3.5Å; Y162-F185 VanDerWaalsContact CD2-CE1 3.5Å; Y162-F185 AromaticContact CD2-CE2 3.95Å; Y162-F185 HydrophobicContact CD2-CE2 3.95Å; Y162-F185 AromaticContact CD2-CG 3.97Å; Y162-F185 HydrophobicContact CD2-CG 3.97Å; Y162-F185 AromaticContact CD2-CZ 3.64Å; Y162-F185 HydrophobicContact CD2-CZ 3.64Å; Y162-F185 HydrophobicContact CE1-CB 3.49Å; Y162-F185 VanDerWaalsContact CE1-CB 3.49Å; Y162-F185 AromaticContact CE1-CD1 3.71Å; Y162-F185 HydrophobicContact CE1-CD1 3.71Å; Y162-F185 HydrophobicContact CE1-CD2 4.25Å; Y162-F185 AromaticContact CE1-CG 3.54Å; Y162-F185 HydrophobicContact CE1-CG 3.54Å; Y162-F185 HydrophobicContact CE2-CB 4.39Å; Y162-F185 AromaticContact CE2-CD1 3.91Å; Y162-F185 HydrophobicContact CE2-CD1 3.91Å; Y162-F185 AromaticContact CE2-CD2 3.59Å; Y162-F185 HydrophobicContact CE2-CD2 3.59Å; Y162-F185 HydrophobicContact CE2-CE1 4.02Å; Y162-F185 AromaticContact CE2-CE2 3.73Å; Y162-F185 HydrophobicContact CE2-CE2 3.73Å; Y162-F185 AromaticContact CE2-CG 3.68Å; Y162-F185 HydrophobicContact CE2-CG 3.68Å; Y162-F185 AromaticContact CE2-CZ 3.94Å; Y162-F185 HydrophobicContact CE2-CZ 3.94Å; Y162-F185 AromaticContact CG-CD1 3.46Å; Y162-F185 HydrophobicContact CG-CD1 3.46Å; Y162-F185 VanDerWaalsContact CG-CD1 3.46Å; Y162-F185 AromaticContact CG-CE1 3.51Å; Y162-F185 HydrophobicContact CG-CE1 3.51Å; Y162-F185 HydrophobicContact CG-CG 4.05Å; Y162-F185 HydrophobicContact CG-CZ 4.15Å; Y162-F185 AromaticContact CZ-CD1 3.92Å; Y162-F185 AromaticContact CZ-CD2 3.67Å; Y162-F185 AromaticContact CZ-CG 3.45Å; Y162-F185 VanDerWaalsContact CZ-CG 3.45Å
163	M	97.5	Very high	95.6	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.005	17%	0.166	C	C	.	.	H	α-helix	trans	-59.8	-43	178.8	-177.2	55.4	74	0	0	111.8	Y45 I48 I49 L159 N160 L161 V166 A167 L178 A182	Y45-M163 HydrophobicContact CD1-CB 4.02Å; Y45-M163 HydrophobicContact CD1-CE 4.48Å; Y45-M163 HydrophobicContact CD1-CG 4.03Å; Y45-M163 HydrophobicContact CE1-CB 4.3Å; I48-M163 HydrophobicContact CB-CG 4.5Å; I48-M163 HydrophobicContact CG2-CB 4.19Å; I48-M163 HydrophobicContact CG2-CG 3.94Å; I49-M163 HydrophobicContact CD1-CE 4.23Å; I49-M163 HydrophobicContact CD1-CG 4.32Å; I49-M163 HydrophobicContact CD1-SD 3.78Å; I49-M163 HydrophobicContact CG1-CG 3.74Å; I49-M163 HydrophobicContact CG1-SD 3.5Å; I49-M163 VanDerWaalsContact CG1-SD 3.5Å; L159-M163 WeakPolarHBondContact O-CB 3.32Å; L159-M163 PolarHBondContact O-N 3.28Å; N160-M163 PolarHBondContact O-N 3.46Å; L161-M163 PolarHBondContact O-N 3.27Å; M163-V166 PolarHBondContact O-N 3.3Å; M163-A167 WeakPolarHBondContact O-CB 3.39Å; M163-A167 PolarHBondContact O-N 3.39Å; M163-L178 HydrophobicContact CE-CB 4.28Å; M163-L178 WeakPolarHBondContact CE-O 3.08Å; M163-L178 HydrophobicContact SD-CB 3.95Å; M163-A182 HydrophobicContact CE-CB 3.22Å
164	Y	98.3	Very high	95.7	Very high	8 Å²	8	25.8 Å²	25.8	3%	0.031	14%	0.137	C	C	.	.	H	α-helix	trans	-59.1	-49.3	175.8	159.1	-101.1	0	0	0	112	A52 V58 F60 V63 N160 L161 Y162 V166 A167 R168	A52-Y164 HydrophobicContact CB-CD2 4.01Å; V58-Y164 HydrophobicContact CG1-CE2 4.02Å; V58-Y164 PolarHBondContact O-OH 3.39Å; F60-Y164 HydrophobicContact CB-CD1 4.01Å; F60-Y164 HydrophobicContact CB-CE1 3.8Å; F60-Y164 HydrophobicContact CB-CG 4.49Å; F60-Y164 AromaticContact CD2-CD1 3.73Å; F60-Y164 HydrophobicContact CD2-CD1 3.73Å; F60-Y164 HydrophobicContact CD2-CD2 4.27Å; F60-Y164 HydrophobicContact CD2-CE1 4.38Å; F60-Y164 AromaticContact CD2-CG 3.64Å; F60-Y164 HydrophobicContact CD2-CG 3.64Å; F60-Y164 HydrophobicContact CE2-CG 4.42Å; F60-Y164 HydrophobicContact CG-CD1 4.22Å; F60-Y164 HydrophobicContact CG-CE1 4.49Å; F60-Y164 PolarHBondContact N-OH 3.3Å; V63-Y164 HydrophobicContact CG2-CD2 3.95Å; V63-Y164 HydrophobicContact CG2-CE2 4.03Å; N160-Y164 WeakPolarHBondContact O-CB 3.42Å; N160-Y164 PolarHBondContact O-N 2.62Å; L161-Y164 HydrophobicContact CD1-CD1 4.03Å; L161-Y164 PolarHBondContact O-N 3.48Å; Y162-Y164 VanDerWaalsContact C-N 3.33Å; Y162-Y164 PolarHBondContact O-N 3.29Å; Y164-V166 PolarHBondContact O-N 3.26Å; Y164-A167 PolarHBondContact O-N 3.05Å; Y164-R168 VanDerWaalsContact O-CG 3.28Å; Y164-R168 WeakPolarHBondContact O-CG 3.24Å; Y164-R168 PolarHBondContact O-N 3.35Å; Y164-R168 VanDerWaalsContact O-N 3.1Å; Y164-R168 PolarHBondContact OH-NH1 3.22Å
165	E	97.6	Very high	95.9	Very high	22 Å²	22	21.6 Å²	21.6	10%	0.103	12%	0.115	C	C	.	.	H	α-helix	trans	-68.6	-33.6	-178.1	-67.1	-65.2	-179.9	0	0	112.5	F139 P140 L161 Y162 R168 R169	F139-E165 HydrophobicContact CD2-CB 4.43Å; F139-E165 HydrophobicContact CE2-CB 3.8Å; F139-E165 HydrophobicContact CZ-CB 4.06Å; P140-E165 HydrophobicContact CG-CB 4.48Å; P140-E165 HydrophobicContact CG-CG 3.66Å; L161-E165 HydrophobicContact CD1-CG 4.34Å; L161-E165 WeakPolarHBondContact O-CG 3.33Å; L161-E165 PolarHBondContact O-N 3.18Å; Y162-E165 PolarHBondContact O-N 2.98Å; E165-R168 WeakPolarHBondContact OE2-CD 3.04Å; E165-R168 IonicContact OE2-NH1 2.94Å; E165-R169 PolarHBondContact O-NH1 3.45Å; E165-R169 IonicContact OE2-CZ 2.81Å; E165-R169 IonicContact OE2-NH1 3.13Å; E165-R169 PolarHBondContact OE2-NH1 2.91Å; E165-R169 IonicContact OE2-NH2 3.98Å; E165-R169 PolarHBondContact OE2-NH2 3.27Å
166	V	97.6	Very high	96	Very high	5 Å²	5	18.3 Å²	18.3	3%	0.03	10%	0.098	C	C	.	.	H	α-helix	trans	-71.1	-48.7	174.5	174.6	0	0	0	0	110.8	F139 Y162 M163 Y164 R169 N170 L178 V181 L213	F139-V166 HydrophobicContact CE2-CG2 3.99Å; F139-V166 HydrophobicContact CZ-CG2 4.27Å; Y162-V166 HydrophobicContact CD1-CG2 4.29Å; Y162-V166 HydrophobicContact CD2-CG2 4.2Å; Y162-V166 HydrophobicContact CE1-CG2 3.89Å; Y162-V166 HydrophobicContact CE2-CG2 3.79Å; Y162-V166 HydrophobicContact CG-CG2 4.44Å; Y162-V166 WeakPolarHBondContact O-CG2 3.43Å; Y162-V166 PolarHBondContact O-N 2.76Å; M163-V166 PolarHBondContact O-N 3.3Å; Y164-V166 PolarHBondContact O-N 3.26Å; V166-R169 PolarHBondContact O-N 3.08Å; V166-N170 WeakPolarHBondContact O-CB 3.19Å; V166-N170 PolarHBondContact O-N 3.41Å; V166-N170 PolarHBondContact O-ND2 3.1Å; V166-L178 HydrophobicContact CG1-CD2 3.75Å; V166-V181 HydrophobicContact CG1-CG1 4.47Å; V166-L213 HydrophobicContact CG1-CD2 3.7Å
167	A	98.3	Very high	96.2	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-63.6	-45.6	-175.5	0	0	0	0	0	112.5	I49 A52 Q53 M163 Y164 R169 N170 L178	I49-A167 HydrophobicContact CG1-CB 4.43Å; A52-A167 HydrophobicContact CB-CB 3.9Å; Q53-A167 HydrophobicContact CG-CB 4.19Å; M163-A167 WeakPolarHBondContact O-CB 3.39Å; M163-A167 PolarHBondContact O-N 3.39Å; Y164-A167 PolarHBondContact O-N 3.05Å; A167-R169 PolarHBondContact O-N 2.68Å; A167-N170 CarbonylContact O-C 3.45Å; A167-N170 PolarHBondContact O-N 3.34Å; A167-L178 HydrophobicContact CB-CD1 4.22Å
168	R	97.7	Very high	96.5	Very high	20 Å²	20	15.5 Å²	15.5	8%	0.075	7%	0.074	C	C	.	.	H	α-helix	trans	-65.8	-21.1	178.8	70.6	-169.6	-61.5	-158.2	14.2	114	A52 Q56 L136 Y164 E165	A52-R168 HydrophobicContact CB-CB 4.14Å; A52-R168 WeakPolarHBondContact O-CA 3.35Å; A52-R168 WeakPolarHBondContact O-CB 3.04Å; Q56-R168 HydrophobicContact CB-CB 4.31Å; Q56-R168 HydrophobicContact CG-CB 4.35Å; Q56-R168 WeakPolarHBondContact CG-O 3.34Å; Q56-R168 PolarHBondContact NE2-O 3.14Å; Q56-R168 PolarHBondContact O-NE 2.99Å; Q56-R168 PolarHBondContact O-NH2 3.43Å; L136-R168 HydrophobicContact CD1-CB 4.4Å; L136-R168 HydrophobicContact CD1-CG 3.81Å; L136-R168 VanDerWaalsContact CD2-CZ 3.42Å; L136-R168 VanDerWaalsContact CD2-NH2 3.32Å; Y164-R168 VanDerWaalsContact O-CG 3.28Å; Y164-R168 WeakPolarHBondContact O-CG 3.24Å; Y164-R168 PolarHBondContact O-N 3.35Å; Y164-R168 VanDerWaalsContact O-N 3.1Å; Y164-R168 PolarHBondContact OH-NH1 3.22Å; E165-R168 WeakPolarHBondContact OE2-CD 3.04Å; E165-R168 IonicContact OE2-NH1 2.94Å
169	R	96.7	Very high	96.6	Very high	39 Å²	39	14.9 Å²	14.9	15%	0.147	7%	0.072	C	C	.	.	H	α-helix	trans	-87.6	-14.1	174	-77.2	174	-175.2	72.6	-0.6	113.1	L136 P137 E165 V166 A167	L136-R169 HydrophobicContact CD1-CG 3.61Å; P137-R169 PolarHBondContact O-NH2 3.3Å; E165-R169 PolarHBondContact O-NH1 3.45Å; E165-R169 IonicContact OE2-CZ 2.81Å; E165-R169 IonicContact OE2-NH1 3.13Å; E165-R169 PolarHBondContact OE2-NH1 2.91Å; E165-R169 IonicContact OE2-NH2 3.98Å; E165-R169 PolarHBondContact OE2-NH2 3.27Å; V166-R169 PolarHBondContact O-N 3.08Å; A167-R169 PolarHBondContact O-N 2.68Å
170	N	96.6	Very high	96.5	Very high	30 Å²	30	15.3 Å²	15.3	16%	0.16	7%	0.074	C	C	.	.			trans	-133.4	66.1	-174.4	-64.8	-82.8	0	0	0	110.6	Q53 V166 A167 F172 V173	Q53-N170 PolarHBondContact NE2-O 3.17Å; V166-N170 WeakPolarHBondContact O-CB 3.19Å; V166-N170 PolarHBondContact O-N 3.41Å; V166-N170 PolarHBondContact O-ND2 3.1Å; A167-N170 CarbonylContact O-C 3.45Å; A167-N170 PolarHBondContact O-N 3.34Å; N170-F172 PolarHBondContact O-N 2.91Å; N170-F172 VanDerWaalsContact O-N 3.13Å; N170-V173 HydrophobicContact CB-CB 4.12Å; N170-V173 HydrophobicContact CB-CG2 3.64Å; N170-V173 PolarHBondContact O-N 3.48Å
171	P	96.1	Very high	96.5	Very high	5 Å²	5	14 Å²	14	3%	0.032	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-13.3	-167.6	27.6	-36.1	0	0	0	115.5	Q53 K129 K130	Q53-P171 HydrophobicContact CB-CB 4.48Å; K129-P171 HydrophobicContact CB-CB 4.23Å; K129-P171 HydrophobicContact CD-CB 4.35Å; K129-P171 WeakPolarHBondContact CD-O 3.19Å; K129-P171 HydrophobicContact CG-CB 4.49Å; K129-P171 PolarHBondContact NZ-O 2.93Å; K130-P171 WeakPolarHBondContact O-CG 3.38Å
172	F	96.2	Very high	96.4	Very high	18 Å²	18	11.3 Å²	11.3	8%	0.079	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.8	-1.5	-179.9	-56.9	-71.7	0	0	0	113.6	F126 K129 A131 N170 F174 V485 N486	F126-F172 HydrophobicContact CE2-CE1 4.15Å; K129-F172 HydrophobicContact CB-CE1 3.9Å; K129-F172 HydrophobicContact CB-CE2 4.5Å; K129-F172 HydrophobicContact CB-CZ 3.64Å; K129-F172 HydrophobicContact CD-CD1 4.18Å; K129-F172 HydrophobicContact CD-CE1 3.75Å; K129-F172 HydrophobicContact CD-CZ 4.31Å; K129-F172 HydrophobicContact CG-CE1 4.46Å; A131-F172 HydrophobicContact CB-CE2 3.85Å; N170-F172 PolarHBondContact O-N 2.91Å; N170-F172 VanDerWaalsContact O-N 3.13Å; F172-F174 WeakPolarHBondContact O-CD1 3.36Å; F172-F174 PolarHBondContact O-N 3.46Å; F172-V485 HydrophobicContact CD1-CB 4.15Å; F172-V485 HydrophobicContact CD1-CG1 3.73Å; F172-V485 HydrophobicContact CD2-CB 4.16Å; F172-V485 HydrophobicContact CD2-CG2 3.99Å; F172-V485 HydrophobicContact CE1-CB 4.17Å; F172-V485 HydrophobicContact CE1-CG1 4.04Å; F172-V485 HydrophobicContact CE2-CB 4.19Å; F172-V485 HydrophobicContact CE2-CG2 4.36Å; F172-V485 HydrophobicContact CG-CB 4.16Å; F172-V485 HydrophobicContact CG-CG1 4.02Å; F172-V485 HydrophobicContact CG-CG2 4.16Å; F172-V485 HydrophobicContact CZ-CB 4.21Å; F172-N486 HydrophobicContact CE1-CB 3.85Å; F172-N486 HydrophobicContact CZ-CB 3.94Å; F172-N486 VanDerWaalsContact CZ-CG 3.4Å; F172-N486 WeakPolarHBondContact CZ-OD1 3.37Å
173	V	97.6	Very high	96.3	Very high	1 Å²	1	12.1 Å²	12.1	1%	0.006	7%	0.068	C	C	.	.	S	Bend	trans	-71.6	133.3	175.9	177.6	0	0	0	0	109.2	Q53 N170 V177 L178 L213 S217	Q53-V173 PolarHBondContact NE2-O 3.43Å; N170-V173 HydrophobicContact CB-CB 4.12Å; N170-V173 HydrophobicContact CB-CG2 3.64Å; N170-V173 PolarHBondContact O-N 3.48Å; V173-V177 HydrophobicContact CG1-CB 3.81Å; V173-V177 HydrophobicContact CG1-CG1 3.57Å; V173-L178 HydrophobicContact CB-CD1 4.49Å; V173-L178 HydrophobicContact CB-CD2 4.18Å; V173-L178 HydrophobicContact CB-CG 4.2Å; V173-L178 HydrophobicContact CG1-CD2 3.86Å; V173-L178 HydrophobicContact CG1-CG 3.78Å; V173-L213 HydrophobicContact CB-CD1 4.49Å; V173-L213 HydrophobicContact CG1-CD1 3.97Å; V173-L213 HydrophobicContact CG2-CD1 4.04Å; V173-S217 VanDerWaalsContact CG2-CB 3.43Å; V173-S217 WeakPolarHBondContact CG2-OG 3.39Å
174	F	97.2	Very high	96.1	Very high	7 Å²	7	14.7 Å²	14.7	3%	0.031	8%	0.08	C	C	.	.			trans	-68.1	144	-176.1	-64	-3.7	0	0	0	111.2	F172 P176 V177 L178 Q220 C224 Y266 C269	F172-F174 WeakPolarHBondContact O-CD1 3.36Å; F172-F174 PolarHBondContact O-N 3.46Å; F174-P176 VanDerWaalsContact C-N 3.29Å; F174-V177 PolarHBondContact O-N 3.33Å; F174-L178 PolarHBondContact O-N 3.32Å; F174-L178 VanDerWaalsContact O-N 3.15Å; F174-Q220 HydrophobicContact CD1-CB 4.31Å; F174-Q220 HydrophobicContact CD1-CG 4.24Å; F174-Q220 HydrophobicContact CD2-CG 4.01Å; F174-Q220 HydrophobicContact CE1-CB 4.07Å; F174-Q220 HydrophobicContact CE1-CG 4.23Å; F174-Q220 HydrophobicContact CE2-CG 4.01Å; F174-Q220 HydrophobicContact CG-CG 4.13Å; F174-Q220 HydrophobicContact CZ-CB 4.22Å; F174-Q220 HydrophobicContact CZ-CG 4.12Å; F174-C224 VanDerWaalsContact CE1-SG 3.52Å; F174-Y266 AromaticContact CE2-CD1 3.94Å; F174-Y266 HydrophobicContact CE2-CD1 3.94Å; F174-Y266 AromaticContact CE2-CE1 3.89Å; F174-Y266 HydrophobicContact CE2-CE1 3.89Å; F174-Y266 AromaticContact CZ-CD1 3.78Å; F174-Y266 HydrophobicContact CZ-CD1 3.78Å; F174-Y266 AromaticContact CZ-CE1 3.97Å; F174-Y266 HydrophobicContact CZ-CE1 3.97Å; F174-C269 HydrophobicContact CB-CB 4.49Å; F174-C269 HydrophobicContact CD1-CB 3.62Å; F174-C269 HydrophobicContact CD2-CB 3.58Å; F174-C269 HydrophobicContact CE1-CB 3.53Å; F174-C269 HydrophobicContact CE2-CB 3.5Å; F174-C269 VanDerWaalsContact CE2-CB 3.5Å; F174-C269 HydrophobicContact CG-CB 3.65Å; F174-C269 HydrophobicContact CZ-CB 3.47Å; F174-C269 VanDerWaalsContact CZ-CB 3.47Å
175	S	96.1	Very high	95.9	Very high	2 Å²	2	15.6 Å²	15.6	1%	0.014	8%	0.084	C	C	.	.	H	α-helix	trans	-54.5	-35.9	-178.6	53.4	0	0	0	0	114	V177 L178 L179 V274	S175-V177 VanDerWaalsContact C-N 3.35Å; S175-V177 PolarHBondContact O-N 3.13Å; S175-L178 PolarHBondContact O-N 3.45Å; S175-L179 WeakPolarHBondContact O-CG 3.2Å; S175-L179 PolarHBondContact O-N 2.84Å; S175-V274 PolarHBondContact OG-O 3.47Å
176	P	95	Very high	95.7	Very high	14 Å²	14	17.7 Å²	17.7	9%	0.091	9%	0.094	C	C	.	.	H	α-helix	trans	-67.4	-34.5	178.8	-26.6	43.2	0	0	0	112.9	F174 L179 T180 I278 Q281	F174-P176 VanDerWaalsContact C-N 3.29Å; P176-L179 PolarHBondContact O-N 3.43Å; P176-T180 PolarHBondContact O-N 3Å; P176-T180 VanDerWaalsContact O-N 3.07Å; P176-T180 PolarHBondContact O-OG1 2.97Å; P176-T180 VanDerWaalsContact O-OG1 3.14Å; P176-I278 HydrophobicContact CG-CG1 3.76Å; P176-Q281 HydrophobicContact CG-CB 4.46Å
177	V	95.7	Very high	95.6	Very high	8 Å²	8	21.9 Å²	21.9	5%	0.048	11%	0.113	C	C	.	.	H	α-helix	trans	-67.4	-44.2	174.1	170	0	0	0	0	110.6	V173 F174 S175 L179 T180 V181 Y212	V173-V177 HydrophobicContact CG1-CB 3.81Å; V173-V177 HydrophobicContact CG1-CG1 3.57Å; F174-V177 PolarHBondContact O-N 3.33Å; S175-V177 VanDerWaalsContact C-N 3.35Å; S175-V177 PolarHBondContact O-N 3.13Å; V177-L179 VanDerWaalsContact C-N 3.31Å; V177-L179 PolarHBondContact O-N 3.46Å; V177-T180 WeakPolarHBondContact O-CB 3.44Å; V177-T180 PolarHBondContact O-N 3.2Å; V177-V181 WeakPolarHBondContact O-CG2 3.44Å; V177-V181 PolarHBondContact O-N 3.15Å; V177-Y212 HydrophobicContact CG1-CE1 3.77Å
178	L	96.9	Very high	95.4	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-61.9	-40	177.6	-69.5	175	0	0	0	111.9	I49 M163 V166 A167 V173 F174 S175 V181 A182 L213	I49-L178 HydrophobicContact CB-CD1 4.42Å; I49-L178 HydrophobicContact CD1-CB 3.89Å; I49-L178 HydrophobicContact CD1-CD1 4.31Å; I49-L178 HydrophobicContact CG1-CB 4.36Å; I49-L178 HydrophobicContact CG1-CD1 4.06Å; I49-L178 HydrophobicContact CG2-CD1 3.51Å; M163-L178 HydrophobicContact CE-CB 4.28Å; M163-L178 WeakPolarHBondContact CE-O 3.08Å; M163-L178 HydrophobicContact SD-CB 3.95Å; V166-L178 HydrophobicContact CG1-CD2 3.75Å; A167-L178 HydrophobicContact CB-CD1 4.22Å; V173-L178 HydrophobicContact CB-CD1 4.49Å; V173-L178 HydrophobicContact CB-CD2 4.18Å; V173-L178 HydrophobicContact CB-CG 4.2Å; V173-L178 HydrophobicContact CG1-CD2 3.86Å; V173-L178 HydrophobicContact CG1-CG 3.78Å; F174-L178 PolarHBondContact O-N 3.32Å; F174-L178 VanDerWaalsContact O-N 3.15Å; S175-L178 PolarHBondContact O-N 3.45Å; L178-V181 PolarHBondContact O-N 2.83Å; L178-A182 PolarHBondContact O-N 3.44Å; L178-L213 HydrophobicContact CD2-CD1 4.14Å
179	L	95.3	Very high	95.3	Very high	8 Å²	8	21.1 Å²	21.1	4%	0.042	11%	0.111	C	C	.	.	H	α-helix	trans	-64	-41.1	174.5	-69.6	174.8	0	0	0	112.4	F38 Y45 L46 I49 S175 P176 V177 V181 A182 A183 I278 P308	F38-L179 HydrophobicContact CE1-CD1 3.68Å; F38-L179 HydrophobicContact CZ-CD1 3.83Å; Y45-L179 HydrophobicContact CD2-CD2 4.24Å; Y45-L179 HydrophobicContact CG-CD2 4.23Å; L46-L179 HydrophobicContact CD2-CD1 4.25Å; I49-L179 HydrophobicContact CD1-CD2 4.3Å; I49-L179 HydrophobicContact CD1-CG 4.4Å; S175-L179 WeakPolarHBondContact O-CG 3.2Å; S175-L179 PolarHBondContact O-N 2.84Å; P176-L179 PolarHBondContact O-N 3.43Å; V177-L179 VanDerWaalsContact C-N 3.31Å; V177-L179 PolarHBondContact O-N 3.46Å; L179-V181 VanDerWaalsContact C-N 3.34Å; L179-A182 PolarHBondContact O-N 3.32Å; L179-A183 PolarHBondContact O-N 2.96Å; L179-I278 HydrophobicContact CD1-CD1 3.74Å; L179-P308 HydrophobicContact CB-CG 4.43Å
180	T	93.8	Very high	95.2	Very high	11 Å²	11	22.1 Å²	22.1	7%	0.067	12%	0.121	C	C	.	.	H	α-helix	trans	-60.7	-43.1	172.6	-61.8	0	0	0	0	111.5	P176 V177 A182 A183 Q184 Y212 D312	P176-T180 PolarHBondContact O-N 3Å; P176-T180 VanDerWaalsContact O-N 3.07Å; P176-T180 PolarHBondContact O-OG1 2.97Å; P176-T180 VanDerWaalsContact O-OG1 3.14Å; V177-T180 WeakPolarHBondContact O-CB 3.44Å; V177-T180 PolarHBondContact O-N 3.2Å; T180-A182 PolarHBondContact O-N 2.98Å; T180-A183 PolarHBondContact O-N 3.28Å; T180-Q184 HydrophobicContact CG2-CG 4.48Å; T180-Q184 WeakPolarHBondContact O-CG 3.04Å; T180-Q184 PolarHBondContact O-N 3.19Å; T180-Y212 HydrophobicContact CG2-CE1 4.05Å; T180-D312 HydrophobicContact CG2-CB 4.48Å
181	V	94.8	Very high	95.2	Very high	1 Å²	1	23 Å²	23	1%	0.006	13%	0.128	C	C	.	.	H	α-helix	trans	-61.7	-42.2	176.9	166	0	0	0	0	111.5	Y162 V166 V177 L178 L179 F185 I209 Y212 L213	Y162-V181 HydrophobicContact CE1-CG1 4.05Å; Y162-V181 WeakPolarHBondContact OH-CG1 3.44Å; V166-V181 HydrophobicContact CG1-CG1 4.47Å; V177-V181 WeakPolarHBondContact O-CG2 3.44Å; V177-V181 PolarHBondContact O-N 3.15Å; L178-V181 PolarHBondContact O-N 2.83Å; L179-V181 VanDerWaalsContact C-N 3.34Å; V181-F185 VanDerWaalsContact O-CB 3.32Å; V181-F185 WeakPolarHBondContact O-CB 3.07Å; V181-F185 PolarHBondContact O-N 2.98Å; V181-I209 HydrophobicContact CG1-CG2 3.84Å; V181-Y212 HydrophobicContact CG2-CD1 3.78Å; V181-Y212 HydrophobicContact CG2-CE1 3.91Å; V181-L213 HydrophobicContact CG2-CB 4.11Å; V181-L213 HydrophobicContact CG2-CD1 4.31Å
182	A	94.1	Very high	95.2	Very high	5 Å²	5	22.8 Å²	22.8	4%	0.041	13%	0.127	C	C	.	.	H	α-helix	trans	-62.4	-44.4	173.6	0	0	0	0	0	112.5	M163 L178 L179 T180 Q184 F185 E186	M163-A182 HydrophobicContact CE-CB 3.22Å; L178-A182 PolarHBondContact O-N 3.44Å; L179-A182 PolarHBondContact O-N 3.32Å; T180-A182 PolarHBondContact O-N 2.98Å; A182-Q184 PolarHBondContact O-N 2.03Å; A182-F185 PolarHBondContact O-N 3.3Å; A182-E186 WeakPolarHBondContact O-CB 3.31Å; A182-E186 PolarHBondContact O-N 2.74Å
183	A	92.9	Very high	95.2	Very high	50 Å²	50	22.4 Å²	22.4	41%	0.413	13%	0.126	S	C	.	.	H	α-helix	trans	-61.6	-44.2	178.8	0	0	0	0	0	111.9	L179 T180 F185 E186 E187	L179-A183 PolarHBondContact O-N 2.96Å; T180-A183 PolarHBondContact O-N 3.28Å; A183-F185 VanDerWaalsContact C-N 3.33Å; A183-F185 PolarHBondContact O-N 2.95Å; A183-E186 PolarHBondContact O-N 2.92Å; A183-E187 PolarHBondContact O-N 3.05Å
184	Q	93.4	Very high	95.1	Very high	55 Å²	55	29.8 Å²	29.8	26%	0.257	16%	0.16	S	C	.	.	H	α-helix	trans	-65.3	-37.4	176.1	-69.5	176.5	-6.8	0	0	112.2	T180 A182 A188 I209	T180-Q184 HydrophobicContact CG2-CG 4.48Å; T180-Q184 WeakPolarHBondContact O-CG 3.04Å; T180-Q184 PolarHBondContact O-N 3.19Å; A182-Q184 PolarHBondContact O-N 2.03Å; Q184-A188 WeakPolarHBondContact O-CB 3.31Å; Q184-A188 PolarHBondContact O-N 3.28Å; Q184-I209 HydrophobicContact CB-CD1 3.95Å; Q184-I209 HydrophobicContact CB-CG1 3.9Å
185	F	94	Very high	94.9	Very high	26 Å²	26	34 Å²	34	11%	0.114	18%	0.18	C	C	.	.	H	α-helix	trans	-69.1	-38.6	176.2	-179.6	-104.6	0	0	0	112.1	F158 L159 Y162 V181 A182 A183 A188 A189 I209	F158-F185 HydrophobicContact CD1-CE1 4.35Å; F158-F185 HydrophobicContact CE1-CD1 4.41Å; F158-F185 AromaticContact CE1-CE1 3.42Å; F158-F185 HydrophobicContact CE1-CE1 3.42Å; F158-F185 VanDerWaalsContact CE1-CE1 3.42Å; F158-F185 AromaticContact CE1-CZ 3.94Å; F158-F185 HydrophobicContact CE1-CZ 3.94Å; F158-F185 AromaticContact CZ-CE1 3.74Å; F158-F185 HydrophobicContact CZ-CE1 3.74Å; F158-F185 AromaticContact CZ-CZ 3.79Å; F158-F185 HydrophobicContact CZ-CZ 3.79Å; L159-F185 HydrophobicContact CD2-CD1 3.96Å; L159-F185 HydrophobicContact CD2-CE1 4.39Å; Y162-F185 HydrophobicContact CD1-CB 4.11Å; Y162-F185 AromaticContact CD1-CD1 3.48Å; Y162-F185 HydrophobicContact CD1-CD1 3.48Å; Y162-F185 VanDerWaalsContact CD1-CD1 3.48Å; Y162-F185 HydrophobicContact CD1-CE1 4.05Å; Y162-F185 AromaticContact CD1-CG 3.85Å; Y162-F185 HydrophobicContact CD1-CG 3.85Å; Y162-F185 AromaticContact CD2-CD1 3.69Å; Y162-F185 HydrophobicContact CD2-CD1 3.69Å; Y162-F185 HydrophobicContact CD2-CD2 4.1Å; Y162-F185 AromaticContact CD2-CE1 3.5Å; Y162-F185 HydrophobicContact CD2-CE1 3.5Å; Y162-F185 VanDerWaalsContact CD2-CE1 3.5Å; Y162-F185 AromaticContact CD2-CE2 3.95Å; Y162-F185 HydrophobicContact CD2-CE2 3.95Å; Y162-F185 AromaticContact CD2-CG 3.97Å; Y162-F185 HydrophobicContact CD2-CG 3.97Å; Y162-F185 AromaticContact CD2-CZ 3.64Å; Y162-F185 HydrophobicContact CD2-CZ 3.64Å; Y162-F185 HydrophobicContact CE1-CB 3.49Å; Y162-F185 VanDerWaalsContact CE1-CB 3.49Å; Y162-F185 AromaticContact CE1-CD1 3.71Å; Y162-F185 HydrophobicContact CE1-CD1 3.71Å; Y162-F185 HydrophobicContact CE1-CD2 4.25Å; Y162-F185 AromaticContact CE1-CG 3.54Å; Y162-F185 HydrophobicContact CE1-CG 3.54Å; Y162-F185 HydrophobicContact CE2-CB 4.39Å; Y162-F185 AromaticContact CE2-CD1 3.91Å; Y162-F185 HydrophobicContact CE2-CD1 3.91Å; Y162-F185 AromaticContact CE2-CD2 3.59Å; Y162-F185 HydrophobicContact CE2-CD2 3.59Å; Y162-F185 HydrophobicContact CE2-CE1 4.02Å; Y162-F185 AromaticContact CE2-CE2 3.73Å; Y162-F185 HydrophobicContact CE2-CE2 3.73Å; Y162-F185 AromaticContact CE2-CG 3.68Å; Y162-F185 HydrophobicContact CE2-CG 3.68Å; Y162-F185 AromaticContact CE2-CZ 3.94Å; Y162-F185 HydrophobicContact CE2-CZ 3.94Å; Y162-F185 AromaticContact CG-CD1 3.46Å; Y162-F185 HydrophobicContact CG-CD1 3.46Å; Y162-F185 VanDerWaalsContact CG-CD1 3.46Å; Y162-F185 AromaticContact CG-CE1 3.51Å; Y162-F185 HydrophobicContact CG-CE1 3.51Å; Y162-F185 HydrophobicContact CG-CG 4.05Å; Y162-F185 HydrophobicContact CG-CZ 4.15Å; Y162-F185 AromaticContact CZ-CD1 3.92Å; Y162-F185 AromaticContact CZ-CD2 3.67Å; Y162-F185 AromaticContact CZ-CG 3.45Å; Y162-F185 VanDerWaalsContact CZ-CG 3.45Å; V181-F185 VanDerWaalsContact O-CB 3.32Å; V181-F185 WeakPolarHBondContact O-CB 3.07Å; V181-F185 PolarHBondContact O-N 2.98Å; A182-F185 PolarHBondContact O-N 3.3Å; A183-F185 VanDerWaalsContact C-N 3.33Å; A183-F185 PolarHBondContact O-N 2.95Å; F185-A188 WeakPolarHBondContact O-CB 3.12Å; F185-A188 PolarHBondContact O-N 2.04Å; F185-A189 WeakPolarHBondContact O-CB 3.27Å; F185-A189 PolarHBondContact O-N 3.05Å; F185-I209 HydrophobicContact CB-CD1 4.44Å
186	E	94.9	Very high	94.7	Very high	66 Å²	66	42.8 Å²	42.8	31%	0.308	22%	0.221	S	C	.	.	H	α-helix	trans	-60.5	-48.2	172.9	-178.1	169.7	-158.3	0	0	110.9	Y151 L159 A182 A183 A188 A189 T190	Y151-E186 HydrophobicContact CE2-CG 4.36Å; L159-E186 HydrophobicContact CD1-CB 4.09Å; L159-E186 VanDerWaalsContact CD1-CD 3.41Å; L159-E186 HydrophobicContact CD1-CG 3.84Å; L159-E186 WeakPolarHBondContact CD1-OE1 3.17Å; L159-E186 HydrophobicContact CD2-CB 3.83Å; L159-E186 HydrophobicContact CD2-CG 4.31Å; A182-E186 WeakPolarHBondContact O-CB 3.31Å; A182-E186 PolarHBondContact O-N 2.74Å; A183-E186 PolarHBondContact O-N 2.92Å; E186-A188 VanDerWaalsContact C-N 3.28Å; E186-A188 PolarHBondContact O-N 2.62Å; E186-A189 WeakPolarHBondContact O-CB 3.4Å; E186-A189 PolarHBondContact O-N 3.02Å; E186-T190 PolarHBondContact O-N 2.68Å; E186-T190 PolarHBondContact O-OG1 3.26Å
187	E	94.4	Very high	94.6	Very high	94 Å²	94	48.3 Å²	48.3	44%	0.439	25%	0.245	S	C	.	.	H	α-helix	trans	-57.6	-42.3	175.5	-170.6	-160.6	140.9	0	0	111.8	A183 T190 T191	A183-E187 PolarHBondContact O-N 3.05Å; E187-T190 PolarHBondContact O-N 3.41Å; E187-T191 WeakPolarHBondContact O-CB 3.03Å; E187-T191 PolarHBondContact O-N 3.24Å; E187-T191 PolarHBondContact O-OG1 3.41Å
188	A	94.8	Very high	94.6	Very high	3 Å²	3	50 Å²	50	3%	0.025	25%	0.252	C	S	.	.	H	α-helix	trans	-62.4	-43.2	175.1	0	0	0	0	0	111.6	Q184 F185 E186 T191 C192 K205 I209	Q184-A188 WeakPolarHBondContact O-CB 3.31Å; Q184-A188 PolarHBondContact O-N 3.28Å; F185-A188 WeakPolarHBondContact O-CB 3.12Å; F185-A188 PolarHBondContact O-N 2.04Å; E186-A188 VanDerWaalsContact C-N 3.28Å; E186-A188 PolarHBondContact O-N 2.62Å; A188-T191 PolarHBondContact O-N 3.34Å; A188-C192 WeakPolarHBondContact O-CB 3.46Å; A188-C192 PolarHBondContact O-N 3.25Å; A188-C192 PolarHBondContact O-SG 3.48Å; A188-K205 HydrophobicContact CB-CB 3.67Å; A188-K205 HydrophobicContact CB-CG 4.15Å; A188-I209 HydrophobicContact CB-CD1 4.35Å
189	A	94.7	Very high	94.4	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-64.5	-47.1	176.6	0	0	0	0	0	111.8	Y151 F158 F185 E186 T191 C193 F202	Y151-A189 HydrophobicContact CD1-CB 4.29Å; Y151-A189 HydrophobicContact CD2-CB 4.17Å; Y151-A189 HydrophobicContact CE1-CB 4.33Å; Y151-A189 HydrophobicContact CE2-CB 4.19Å; Y151-A189 HydrophobicContact CG-CB 4.21Å; F158-A189 HydrophobicContact CE1-CB 4.23Å; F185-A189 WeakPolarHBondContact O-CB 3.27Å; F185-A189 PolarHBondContact O-N 3.05Å; E186-A189 WeakPolarHBondContact O-CB 3.4Å; E186-A189 PolarHBondContact O-N 3.02Å; A189-T191 VanDerWaalsContact C-N 3.34Å; A189-T191 PolarHBondContact O-N 3.35Å; A189-C193 WeakPolarHBondContact O-CB 3.36Å; A189-C193 PolarHBondContact O-N 3.25Å; A189-C193 PolarHBondContact O-SG 3.47Å; A189-F202 HydrophobicContact CB-CE1 4.29Å
190	T	95.6	Very high	94.3	Very high	61 Å²	61	57 Å²	57	37%	0.374	30%	0.296	S	S	.	.	H	α-helix	trans	-54.7	-51	175.3	-52.3	0	0	0	0	110.6	Y151 E186 E187	Y151-T190 PolarHBondContact OH-OG1 2.91Å; E186-T190 PolarHBondContact O-N 2.68Å; E186-T190 PolarHBondContact O-OG1 3.26Å; E187-T190 PolarHBondContact O-N 3.41Å
191	T	95.9	Very high	94.4	Very high	49 Å²	49	57.6 Å²	57.6	30%	0.301	30%	0.3	S	S	.	.	H	α-helix	trans	-69.5	-49.3	-176.4	-53.9	0	0	0	0	112	E187 A188 A189 C193 E194	E187-T191 WeakPolarHBondContact O-CB 3.03Å; E187-T191 PolarHBondContact O-N 3.24Å; E187-T191 PolarHBondContact O-OG1 3.41Å; A188-T191 PolarHBondContact O-N 3.34Å; A189-T191 VanDerWaalsContact C-N 3.34Å; A189-T191 PolarHBondContact O-N 3.35Å; T191-C193 PolarHBondContact O-N 3.39Å; T191-E194 PolarHBondContact O-N 2.99Å
192	C	96.3	Very high	94.3	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-74.5	-26.6	-171	-67.1	0	0	0	0	113.3	A188 E194 Q195 K198 C201 F202	A188-C192 WeakPolarHBondContact O-CB 3.46Å; A188-C192 PolarHBondContact O-N 3.25Å; A188-C192 PolarHBondContact O-SG 3.48Å; C192-E194 PolarHBondContact O-N 2.96Å; C192-Q195 PolarHBondContact O-N 3.41Å; C192-Q195 VanDerWaalsContact O-N 3.15Å; C192-K198 WeakPolarHBondContact O-CG 3.45Å; C192-C201 WeakPolarHBondContact CA-SG 3.41Å; C192-C201 HydrophobicContact CB-CB 3.64Å; C192-C201 WeakPolarHBondContact CB-SG 3.47Å; C192-C201 WeakPolarHBondContact SG-CB 3.47Å; C192-C201 PolarHBondContact SG-O 3.38Å; C192-C201 CovalentContact SG-SG 2.04Å; C192-C201 PolarHBondContact SG-SG 3.5Å; C192-F202 HydrophobicContact CB-CD1 4.1Å; C192-F202 HydrophobicContact CB-CD2 3.9Å; C192-F202 HydrophobicContact CB-CE1 4.02Å; C192-F202 HydrophobicContact CB-CE2 3.82Å; C192-F202 HydrophobicContact CB-CG 4.04Å; C192-F202 HydrophobicContact CB-CZ 3.88Å; C192-F202 PolarHBondContact SG-N 2.88Å
193	C	95.8	Very high	94.2	Very high	9 Å²	9	65.1 Å²	65.1	6%	0.061	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-12.5	176.6	-69.7	0	0	0	0	114.5	C148 A189 T191	C148-C193 WeakPolarHBondContact CA-SG 3.05Å; C148-C193 HydrophobicContact CB-CB 3.71Å; C148-C193 WeakPolarHBondContact CB-SG 3.3Å; C148-C193 WeakPolarHBondContact SG-CA 3.26Å; C148-C193 WeakPolarHBondContact SG-CB 3.06Å; C148-C193 CovalentContact SG-SG 2.04Å; C148-C193 PolarHBondContact SG-SG 3Å; A189-C193 WeakPolarHBondContact O-CB 3.36Å; A189-C193 PolarHBondContact O-N 3.25Å; A189-C193 PolarHBondContact O-SG 3.47Å; T191-C193 PolarHBondContact O-N 3.39Å
194	E	95.2	Very high	94.2	Very high	157 Å²	157	66 Å²	66	73%	0.734	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	-12	172.7	-62.1	-177.4	167.3	0	0	112.8	T191 C192	T191-E194 PolarHBondContact O-N 2.99Å; C192-E194 PolarHBondContact O-N 2.96Å
195	Q	93.8	Very high	94.3	Very high	95 Å²	95	66.4 Å²	66.4	44%	0.444	34%	0.342	S	S	.	.	S	Bend	trans	-81.4	152.4	-179	-60.5	-58.2	-43.3	0	0	112.4	C192 K198 C201	C192-Q195 PolarHBondContact O-N 3.41Å; C192-Q195 VanDerWaalsContact O-N 3.15Å; Q195-K198 VanDerWaalsContact O-CG 3.29Å; Q195-K198 WeakPolarHBondContact O-CG 3.27Å; Q195-C201 HydrophobicContact CB-CB 4.44Å; Q195-C201 HydrophobicContact CG-CB 4.29Å
196	Q	91.4	Very high	94.2	Very high	186 Å²	186	67.1 Å²	67.1	87%	0.869	35%	0.353	S	S	*	.	S	Bend	trans	-69.1	-47.2	172.6	-169.5	171.8	9.9	0	0	110.8	K198	Q196-K198 PolarHBondContact O-N 3.31Å
197	E	94.1	Very high	93.9	Very high	130 Å²	130	66.8 Å²	66.8	61%	0.607	36%	0.362	S	S	*	.	S	Bend	trans	-96.2	70.9	178.5	-62.1	-164.6	174.1	0	0	111.8	A199 I200 C201	E197-A199 PolarHBondContact O-N 2.04Å; E197-I200 HydrophobicContact CB-CB 4.42Å; E197-I200 HydrophobicContact CB-CD1 4.35Å; E197-I200 PolarHBondContact O-N 3.07Å; E197-I200 WeakPolarHBondContact OE2-CD1 3.37Å; E197-C201 PolarHBondContact O-N 3.36Å; E197-C201 VanDerWaalsContact O-N 3.14Å
198	K	94.4	Very high	93.8	Very high	43 Å²	43	64.4 Å²	64.4	19%	0.187	35%	0.354	C	S	.	.	H	α-helix	trans	-58.4	-43.8	-174.7	-57.2	-175.1	-171.8	65.7	0	113	P144 E145 C148 C192 Q195 Q196 I200 C201 F202	P144-K198 HydrophobicContact CB-CB 3.86Å; E145-K198 IonicContact OE1-NZ 3.89Å; E145-K198 PolarHBondContact OE1-NZ 3.49Å; C148-K198 HydrophobicContact CB-CD 4.41Å; C192-K198 WeakPolarHBondContact O-CG 3.45Å; Q195-K198 VanDerWaalsContact O-CG 3.29Å; Q195-K198 WeakPolarHBondContact O-CG 3.27Å; Q196-K198 PolarHBondContact O-N 3.31Å; K198-I200 VanDerWaalsContact C-N 3.35Å; K198-I200 PolarHBondContact O-N 3.19Å; K198-C201 PolarHBondContact O-N 3.01Å; K198-F202 HydrophobicContact CB-CD2 4.37Å; K198-F202 HydrophobicContact CB-CE2 4.47Å; K198-F202 VanDerWaalsContact O-CD2 3.26Å; K198-F202 WeakPolarHBondContact O-CD2 3.29Å; K198-F202 PolarHBondContact O-N 2.87Å
199	A	92.1	Very high	93.7	Very high	55 Å²	55	64.7 Å²	64.7	46%	0.455	36%	0.355	S	S	.	.	H	α-helix	trans	-56	-48.9	-178.6	0	0	0	0	0	112	P144 E197 F202 Q203	P144-A199 HydrophobicContact CB-CB 4.49Å; P144-A199 HydrophobicContact CG-CB 3.78Å; E197-A199 PolarHBondContact O-N 2.04Å; A199-F202 PolarHBondContact O-N 3.36Å; A199-Q203 WeakPolarHBondContact O-CB 3.23Å; A199-Q203 PolarHBondContact O-N 3.16Å
200	I	93.9	Very high	93.6	Very high	101 Å²	101	67.9 Å²	67.9	52%	0.518	38%	0.375	S	S	.	.	H	α-helix	trans	-66.8	-41.4	-179.6	-71.6	162.2	0	0	0	110.3	E197 K198 Q203 A204	E197-I200 HydrophobicContact CB-CB 4.42Å; E197-I200 HydrophobicContact CB-CD1 4.35Å; E197-I200 PolarHBondContact O-N 3.07Å; E197-I200 WeakPolarHBondContact OE2-CD1 3.37Å; K198-I200 VanDerWaalsContact C-N 3.35Å; K198-I200 PolarHBondContact O-N 3.19Å; I200-Q203 PolarHBondContact O-N 3.16Å; I200-A204 WeakPolarHBondContact O-CB 3.23Å; I200-A204 PolarHBondContact O-N 3.01Å
201	C	95.7	Very high	93.4	Very high	23 Å²	23	68.9 Å²	68.9	16%	0.155	38%	0.375	C	S	.	.	H	α-helix	trans	-60.2	-50.4	175.5	-175.8	0	0	0	0	112.1	C192 Q195 E197 K198 Q203 A204 K205	C192-C201 WeakPolarHBondContact CA-SG 3.41Å; C192-C201 HydrophobicContact CB-CB 3.64Å; C192-C201 WeakPolarHBondContact CB-SG 3.47Å; C192-C201 WeakPolarHBondContact SG-CB 3.47Å; C192-C201 PolarHBondContact SG-O 3.38Å; C192-C201 CovalentContact SG-SG 2.04Å; C192-C201 PolarHBondContact SG-SG 3.5Å; Q195-C201 HydrophobicContact CB-CB 4.44Å; Q195-C201 HydrophobicContact CG-CB 4.29Å; E197-C201 PolarHBondContact O-N 3.36Å; E197-C201 VanDerWaalsContact O-N 3.14Å; K198-C201 PolarHBondContact O-N 3.01Å; C201-Q203 VanDerWaalsContact C-N 3.33Å; C201-Q203 PolarHBondContact O-N 2.93Å; C201-A204 PolarHBondContact O-N 3.12Å; C201-K205 WeakPolarHBondContact O-CG 3.25Å; C201-K205 PolarHBondContact O-N 3.41Å
202	F	94	Very high	93.3	Very high	18 Å²	18	68 Å²	68	8%	0.079	37%	0.367	C	S	.	.	H	α-helix	trans	-61.6	-41.7	179.1	-84.9	-65.5	0	0	0	111.9	P144 A189 C192 K198 A199 A204 K205 A206	P144-F202 HydrophobicContact CB-CD2 4.4Å; A189-F202 HydrophobicContact CB-CE1 4.29Å; C192-F202 HydrophobicContact CB-CD1 4.1Å; C192-F202 HydrophobicContact CB-CD2 3.9Å; C192-F202 HydrophobicContact CB-CE1 4.02Å; C192-F202 HydrophobicContact CB-CE2 3.82Å; C192-F202 HydrophobicContact CB-CG 4.04Å; C192-F202 HydrophobicContact CB-CZ 3.88Å; C192-F202 PolarHBondContact SG-N 2.88Å; K198-F202 HydrophobicContact CB-CD2 4.37Å; K198-F202 HydrophobicContact CB-CE2 4.47Å; K198-F202 VanDerWaalsContact O-CD2 3.26Å; K198-F202 WeakPolarHBondContact O-CD2 3.29Å; K198-F202 PolarHBondContact O-N 2.87Å; A199-F202 PolarHBondContact O-N 3.36Å; F202-A204 VanDerWaalsContact C-N 3.35Å; F202-A204 PolarHBondContact O-N 3.47Å; F202-K205 PolarHBondContact O-N 2.84Å; F202-A206 WeakPolarHBondContact O-CB 3.33Å; F202-A206 PolarHBondContact O-N 3.23Å
203	Q	91.3	Very high	93.2	Very high	147 Å²	147	68.8 Å²	68.8	69%	0.687	37%	0.371	S	S	*	.	H	α-helix	trans	-61.4	-44.2	177	-173.7	177.5	5.6	0	0	111.5	A199 I200 C201 A207	A199-Q203 WeakPolarHBondContact O-CB 3.23Å; A199-Q203 PolarHBondContact O-N 3.16Å; I200-Q203 PolarHBondContact O-N 3.16Å; C201-Q203 VanDerWaalsContact C-N 3.33Å; C201-Q203 PolarHBondContact O-N 2.93Å; Q203-A207 PolarHBondContact O-N 3.43Å
204	A	93.4	Very high	93	Very high	67 Å²	67	73.8 Å²	73.8	55%	0.554	39%	0.392	S	S	*	.	H	α-helix	trans	-65.2	-40.8	178.7	0	0	0	0	0	112.5	I200 C201 F202 P208	I200-A204 WeakPolarHBondContact O-CB 3.23Å; I200-A204 PolarHBondContact O-N 3.01Å; C201-A204 PolarHBondContact O-N 3.12Å; F202-A204 VanDerWaalsContact C-N 3.35Å; F202-A204 PolarHBondContact O-N 3.47Å; A204-P208 WeakPolarHBondContact O-CD 3.08Å
205	K	94.4	Very high	92.8	Very high	64 Å²	64	67.8 Å²	67.8	28%	0.278	37%	0.369	S	S	.	.	H	α-helix	trans	-77	-31.3	179.5	-69.8	-73.7	-170.6	165.3	0	113.3	A188 C201 F202 P208 I209	A188-K205 HydrophobicContact CB-CB 3.67Å; A188-K205 HydrophobicContact CB-CG 4.15Å; C201-K205 WeakPolarHBondContact O-CG 3.25Å; C201-K205 PolarHBondContact O-N 3.41Å; F202-K205 PolarHBondContact O-N 2.84Å; K205-P208 WeakPolarHBondContact O-CD 3.3Å; K205-P208 WeakPolarHBondContact O-CG 3.38Å; K205-I209 WeakPolarHBondContact O-CD1 3.09Å; K205-I209 WeakPolarHBondContact O-CG1 3.15Å
206	A	91.3	Very high	92.8	Very high	42 Å²	42	64.2 Å²	64.2	35%	0.347	35%	0.354	S	S	.	.	H	α-helix	trans	-71.8	-30.3	-179.2	0	0	0	0	0	113.5	F202 I209 T210	F202-A206 WeakPolarHBondContact O-CB 3.33Å; F202-A206 PolarHBondContact O-N 3.23Å; A206-I209 PolarHBondContact O-N 2.94Å; A206-T210 WeakPolarHBondContact O-CB 3.49Å; A206-T210 PolarHBondContact O-N 3.12Å; A206-T210 PolarHBondContact O-OG1 3.08Å
207	A	90.4	Very high	93	Very high	58 Å²	58	56.7 Å²	56.7	48%	0.479	32%	0.322	S	S	.	.	H	α-helix	trans	-57.7	-55.1	-179.1	0	0	0	0	0	113.6	Q203 I209 T210 Q211	Q203-A207 PolarHBondContact O-N 3.43Å; A207-I209 PolarHBondContact O-N 3.4Å; A207-T210 PolarHBondContact O-N 3.41Å; A207-Q211 WeakPolarHBondContact O-CB 3.33Å; A207-Q211 PolarHBondContact O-N 3.45Å
208	P	91.6	Very high	92.9	Very high	44 Å²	44	51.4 Å²	51.4	29%	0.286	30%	0.3	S	S	.	.	H	α-helix	trans	-64.6	-36.4	178.4	24.5	-34.3	0	0	0	113	F14 A204 K205 T210 Q211 Y212	F14-P208 HydrophobicContact CE2-CB 4.21Å; F14-P208 HydrophobicContact CZ-CB 4.28Å; A204-P208 WeakPolarHBondContact O-CD 3.08Å; K205-P208 WeakPolarHBondContact O-CD 3.3Å; K205-P208 WeakPolarHBondContact O-CG 3.38Å; P208-T210 PolarHBondContact O-N 3.28Å; P208-Q211 PolarHBondContact O-N 2.95Å; P208-Y212 WeakPolarHBondContact O-CB 3.3Å; P208-Y212 PolarHBondContact O-N 3.11Å
209	I	93.4	Very high	93	Very high	9 Å²	9	53.1 Å²	53.1	5%	0.046	31%	0.306	C	S	.	.	H	α-helix	trans	-61.4	-46.1	176.1	-60.8	171.9	0	0	0	110.4	V181 Q184 F185 A188 K205 A206 A207 Q211 Y212 L213	V181-I209 HydrophobicContact CG1-CG2 3.84Å; Q184-I209 HydrophobicContact CB-CD1 3.95Å; Q184-I209 HydrophobicContact CB-CG1 3.9Å; F185-I209 HydrophobicContact CB-CD1 4.44Å; A188-I209 HydrophobicContact CB-CD1 4.35Å; K205-I209 WeakPolarHBondContact O-CD1 3.09Å; K205-I209 WeakPolarHBondContact O-CG1 3.15Å; A206-I209 PolarHBondContact O-N 2.94Å; A207-I209 PolarHBondContact O-N 3.4Å; I209-Q211 VanDerWaalsContact C-N 3.34Å; I209-Q211 PolarHBondContact O-N 2.81Å; I209-Y212 PolarHBondContact O-N 2.86Å; I209-L213 WeakPolarHBondContact O-CB 3.16Å; I209-L213 PolarHBondContact O-N 2.8Å
210	T	92.2	Very high	93.2	Very high	67 Å²	67	51.3 Å²	51.3	41%	0.411	29%	0.288	S	S	.	.	H	α-helix	trans	-64.2	-41	178.6	-58	0	0	0	0	111.2	A206 A207 P208 K214	A206-T210 WeakPolarHBondContact O-CB 3.49Å; A206-T210 PolarHBondContact O-N 3.12Å; A206-T210 PolarHBondContact O-OG1 3.08Å; A207-T210 PolarHBondContact O-N 3.41Å; P208-T210 PolarHBondContact O-N 3.28Å; T210-K214 HydrophobicContact CG2-CD 4.2Å; T210-K214 HydrophobicContact CG2-CG 4.49Å; T210-K214 WeakPolarHBondContact O-CB 3.34Å; T210-K214 VanDerWaalsContact O-CG 3.31Å; T210-K214 WeakPolarHBondContact O-CG 3.47Å; T210-K214 PolarHBondContact O-N 2.94Å
211	Q	91.1	Very high	93.2	Very high	82 Å²	82	46.7 Å²	46.7	38%	0.383	27%	0.265	S	S	.	.	H	α-helix	trans	-64.8	-44.6	178.3	-175.2	175.3	9.4	0	0	111.5	I10 A207 P208 I209 K214 A215	I10-Q211 HydrophobicContact CD1-CG 3.55Å; I10-Q211 VanDerWaalsContact CD1-NE2 3.34Å; I10-Q211 HydrophobicContact CG1-CG 4.2Å; A207-Q211 WeakPolarHBondContact O-CB 3.33Å; A207-Q211 PolarHBondContact O-N 3.45Å; P208-Q211 PolarHBondContact O-N 2.95Å; I209-Q211 VanDerWaalsContact C-N 3.34Å; I209-Q211 PolarHBondContact O-N 2.81Å; Q211-K214 PolarHBondContact O-N 3.23Å; Q211-A215 WeakPolarHBondContact O-CB 3.5Å; Q211-A215 PolarHBondContact O-N 3.5Å
212	Y	92.7	Very high	93.2	Very high	31 Å²	31	45.8 Å²	45.8	12%	0.122	26%	0.259	C	S	.	.	H	α-helix	trans	-60.2	-47.5	175.4	171.3	-101.7	0	0	0	112.2	V177 T180 V181 P208 I209 A215 S216 D312	V177-Y212 HydrophobicContact CG1-CE1 3.77Å; T180-Y212 HydrophobicContact CG2-CE1 4.05Å; V181-Y212 HydrophobicContact CG2-CD1 3.78Å; V181-Y212 HydrophobicContact CG2-CE1 3.91Å; P208-Y212 WeakPolarHBondContact O-CB 3.3Å; P208-Y212 PolarHBondContact O-N 3.11Å; I209-Y212 PolarHBondContact O-N 2.86Å; Y212-A215 PolarHBondContact O-N 3.42Å; Y212-S216 WeakPolarHBondContact O-CB 3.19Å; Y212-S216 PolarHBondContact O-N 3.18Å; Y212-S216 PolarHBondContact O-OG 2.9Å; Y212-D312 WeakPolarHBondContact CE2-OD1 3.4Å; Y212-D312 PolarHBondContact OH-OD1 3.32Å
213	L	95.2	Very high	93.3	Very high	17 Å²	17	45.1 Å²	45.1	9%	0.089	26%	0.256	C	S	.	.	H	α-helix	trans	-60.6	-46.9	177.6	175	61.1	0	0	0	111.5	V166 V173 L178 V181 I209 S216 S217	V166-L213 HydrophobicContact CG1-CD2 3.7Å; V173-L213 HydrophobicContact CB-CD1 4.49Å; V173-L213 HydrophobicContact CG1-CD1 3.97Å; V173-L213 HydrophobicContact CG2-CD1 4.04Å; L178-L213 HydrophobicContact CD2-CD1 4.14Å; V181-L213 HydrophobicContact CG2-CB 4.11Å; V181-L213 HydrophobicContact CG2-CD1 4.31Å; I209-L213 WeakPolarHBondContact O-CB 3.16Å; I209-L213 PolarHBondContact O-N 2.8Å; L213-S216 PolarHBondContact O-N 3.38Å; L213-S217 VanDerWaalsContact O-CB 3.22Å; L213-S217 WeakPolarHBondContact O-CB 3.44Å; L213-S217 PolarHBondContact O-N 3.34Å
214	K	92.2	Very high	93.6	Very high	114 Å²	114	38.1 Å²	38.1	50%	0.496	22%	0.224	S	C	.	.	H	α-helix	trans	-61.8	-48.2	179	-77.4	179.3	175.3	-173.2	0	112	T210 Q211 S216 S217 S218	T210-K214 HydrophobicContact CG2-CD 4.2Å; T210-K214 HydrophobicContact CG2-CG 4.49Å; T210-K214 WeakPolarHBondContact O-CB 3.34Å; T210-K214 VanDerWaalsContact O-CG 3.31Å; T210-K214 WeakPolarHBondContact O-CG 3.47Å; T210-K214 PolarHBondContact O-N 2.94Å; Q211-K214 PolarHBondContact O-N 3.23Å; K214-S216 VanDerWaalsContact C-N 3.33Å; K214-S216 PolarHBondContact O-N 3.19Å; K214-S217 WeakPolarHBondContact O-CB 3.08Å; K214-S217 PolarHBondContact O-N 2.91Å; K214-S218 PolarHBondContact O-N 2.89Å; K214-S218 PolarHBondContact O-OG 2.76Å
215	A	90.6	Very high	93.7	Very high	30 Å²	30	35.2 Å²	35.2	25%	0.248	20%	0.2	C	C	.	.	H	α-helix	trans	-61	-44.3	179.3	0	0	0	0	0	111.6	I10 Q211 Y212 Y219	I10-A215 HydrophobicContact CD1-CB 4.03Å; I10-A215 HydrophobicContact CG2-CB 3.96Å; Q211-A215 WeakPolarHBondContact O-CB 3.5Å; Q211-A215 PolarHBondContact O-N 3.5Å; Y212-A215 PolarHBondContact O-N 3.42Å; A215-Y219 WeakPolarHBondContact O-CB 3.3Å; A215-Y219 PolarHBondContact O-N 2.93Å; A215-Y219 VanDerWaalsContact O-N 3.08Å
216	S	94	Very high	93.7	Very high	21 Å²	21	32.1 Å²	32.1	15%	0.147	19%	0.186	C	C	.	.	H	α-helix	trans	-63.2	-42.6	176	-61.2	0	0	0	0	111.9	Y212 L213 K214 Q220	Y212-S216 WeakPolarHBondContact O-CB 3.19Å; Y212-S216 PolarHBondContact O-N 3.18Å; Y212-S216 PolarHBondContact O-OG 2.9Å; L213-S216 PolarHBondContact O-N 3.38Å; K214-S216 VanDerWaalsContact C-N 3.33Å; K214-S216 PolarHBondContact O-N 3.19Å; S216-Q220 VanDerWaalsContact O-CB 3.25Å; S216-Q220 WeakPolarHBondContact O-CB 3.3Å; S216-Q220 WeakPolarHBondContact O-CG 3.46Å; S216-Q220 PolarHBondContact O-N 2.82Å
217	S	94.4	Very high	93.9	Very high	28 Å²	28	30.8 Å²	30.8	20%	0.196	17%	0.173	C	C	.	.	H	α-helix	trans	-61.4	-51.8	178.7	-170.7	0	0	0	0	112.2	V173 L213 K214 Y219 Q220 G221	V173-S217 VanDerWaalsContact CG2-CB 3.43Å; V173-S217 WeakPolarHBondContact CG2-OG 3.39Å; L213-S217 VanDerWaalsContact O-CB 3.22Å; L213-S217 WeakPolarHBondContact O-CB 3.44Å; L213-S217 PolarHBondContact O-N 3.34Å; K214-S217 WeakPolarHBondContact O-CB 3.08Å; K214-S217 PolarHBondContact O-N 2.91Å; S217-Y219 PolarHBondContact O-N 2.73Å; S217-Q220 PolarHBondContact O-N 2.88Å; S217-G221 PolarHBondContact O-N 3.34Å
218	S	92.9	Very high	94.1	Very high	19 Å²	19	31.7 Å²	31.7	13%	0.133	17%	0.168	C	C	.	.	H	α-helix	trans	-64.8	-39.5	180	-66.4	0	0	0	0	112	K214 T222 D481	K214-S218 PolarHBondContact O-N 2.89Å; K214-S218 PolarHBondContact O-OG 2.76Å; S218-T222 VanDerWaalsContact O-CB 3.23Å; S218-T222 WeakPolarHBondContact O-CB 3.46Å; S218-T222 PolarHBondContact O-N 3.24Å; S218-T222 PolarHBondContact O-OG1 3.2Å; S218-D481 PolarHBondContact OG-OD2 2.93Å
219	Y	95.4	Very high	94.2	Very high	79 Å²	79	31.5 Å²	31.5	31%	0.31	16%	0.163	S	C	.	.	H	α-helix	trans	-65	-51.6	175.7	-180	-95.8	0	0	0	112.1	A215 S217 G221 T222 V223 Y266 L477	A215-Y219 WeakPolarHBondContact O-CB 3.3Å; A215-Y219 PolarHBondContact O-N 2.93Å; A215-Y219 VanDerWaalsContact O-N 3.08Å; S217-Y219 PolarHBondContact O-N 2.73Å; Y219-G221 PolarHBondContact O-N 3.23Å; Y219-T222 PolarHBondContact O-N 3.44Å; Y219-V223 HydrophobicContact CD1-CG2 4.36Å; Y219-V223 HydrophobicContact CD2-CG2 4.45Å; Y219-V223 HydrophobicContact CE1-CG2 3.96Å; Y219-V223 HydrophobicContact CE2-CG2 4.05Å; Y219-V223 WeakPolarHBondContact O-CG2 3.42Å; Y219-V223 PolarHBondContact O-N 3.29Å; Y219-Y266 WeakPolarHBondContact CE1-OH 3.32Å; Y219-L477 HydrophobicContact CD2-CD2 4.29Å
220	Q	96.3	Very high	94.2	Very high	17 Å²	17	33.6 Å²	33.6	8%	0.079	17%	0.172	C	C	.	.	H	α-helix	trans	-63	-42.8	-180	-72	168.7	-6.3	0	0	111.5	F174 S216 S217 T222 V223 C224	F174-Q220 HydrophobicContact CD1-CB 4.31Å; F174-Q220 HydrophobicContact CD1-CG 4.24Å; F174-Q220 HydrophobicContact CD2-CG 4.01Å; F174-Q220 HydrophobicContact CE1-CB 4.07Å; F174-Q220 HydrophobicContact CE1-CG 4.23Å; F174-Q220 HydrophobicContact CE2-CG 4.01Å; F174-Q220 HydrophobicContact CG-CG 4.13Å; F174-Q220 HydrophobicContact CZ-CB 4.22Å; F174-Q220 HydrophobicContact CZ-CG 4.12Å; S216-Q220 VanDerWaalsContact O-CB 3.25Å; S216-Q220 WeakPolarHBondContact O-CB 3.3Å; S216-Q220 WeakPolarHBondContact O-CG 3.46Å; S216-Q220 PolarHBondContact O-N 2.82Å; S217-Q220 PolarHBondContact O-N 2.88Å; Q220-T222 PolarHBondContact O-N 2.87Å; Q220-V223 PolarHBondContact O-N 2.94Å; Q220-C224 VanDerWaalsContact O-CB 3.24Å; Q220-C224 WeakPolarHBondContact O-CB 3.47Å; Q220-C224 PolarHBondContact O-N 3.33Å; Q220-C224 PolarHBondContact O-SG 2.52Å
221	G	95.1	Very high	94.3	Very high	4 Å²	4	31.3 Å²	31.3	4%	0.041	16%	0.162	C	C	.	.	H	α-helix	trans	-59	-45.6	174.7	0	0	0	0	0	112	S217 Y219 G225	S217-G221 PolarHBondContact O-N 3.34Å; Y219-G221 PolarHBondContact O-N 3.23Å; G221-G225 PolarHBondContact O-N 3.3Å
222	T	95.1	Very high	94.5	Very high	4 Å²	4	31.1 Å²	31.1	3%	0.025	17%	0.168	C	C	.	.	H	α-helix	trans	-63.1	-47	178.1	-65.1	0	0	0	0	112.2	S218 Y219 Q220 G225 A226 L477 F503 R506	S218-T222 VanDerWaalsContact O-CB 3.23Å; S218-T222 WeakPolarHBondContact O-CB 3.46Å; S218-T222 PolarHBondContact O-N 3.24Å; S218-T222 PolarHBondContact O-OG1 3.2Å; Y219-T222 PolarHBondContact O-N 3.44Å; Q220-T222 PolarHBondContact O-N 2.87Å; T222-G225 PolarHBondContact O-N 3.33Å; T222-A226 PolarHBondContact O-N 3.15Å; T222-L477 HydrophobicContact CG2-CD2 4.06Å; T222-L477 PolarHBondContact OG1-O 3.1Å; T222-F503 HydrophobicContact CG2-CE2 3.94Å; T222-F503 HydrophobicContact CG2-CZ 4.21Å; T222-R506 VanDerWaalsContact CG2-NH2 3.31Å
223	V	96.4	Very high	94.5	Very high	3 Å²	3	35.9 Å²	35.9	2%	0.018	19%	0.189	C	C	.	.	H	α-helix	trans	-69.7	-41.6	-179.5	178.5	0	0	0	0	111.7	Y219 Q220 G225 A226 L227 L235 I238 Y266	Y219-V223 HydrophobicContact CD1-CG2 4.36Å; Y219-V223 HydrophobicContact CD2-CG2 4.45Å; Y219-V223 HydrophobicContact CE1-CG2 3.96Å; Y219-V223 HydrophobicContact CE2-CG2 4.05Å; Y219-V223 WeakPolarHBondContact O-CG2 3.42Å; Y219-V223 PolarHBondContact O-N 3.29Å; Q220-V223 PolarHBondContact O-N 2.94Å; V223-G225 VanDerWaalsContact C-N 3.34Å; V223-A226 WeakPolarHBondContact O-CB 3.26Å; V223-A226 PolarHBondContact O-N 3.4Å; V223-L227 PolarHBondContact O-N 3.38Å; V223-L235 HydrophobicContact CG1-CD1 3.36Å; V223-I238 HydrophobicContact CG2-CG2 4.46Å; V223-Y266 HydrophobicContact CB-CE1 3.97Å; V223-Y266 HydrophobicContact CG1-CD1 3.8Å; V223-Y266 HydrophobicContact CG1-CE1 3.39Å; V223-Y266 HydrophobicContact CG1-CE2 4.44Å
224	C	96.8	Very high	94.5	Very high	1 Å²	1	36 Å²	36	1%	0.007	19%	0.192	C	C	.	.	H	α-helix	trans	-64.1	-40.2	173.2	-70.1	0	0	0	0	111.6	F174 Q220 A226 L227 M228 C270 V485	F174-C224 VanDerWaalsContact CE1-SG 3.52Å; Q220-C224 VanDerWaalsContact O-CB 3.24Å; Q220-C224 WeakPolarHBondContact O-CB 3.47Å; Q220-C224 PolarHBondContact O-N 3.33Å; Q220-C224 PolarHBondContact O-SG 2.52Å; C224-A226 VanDerWaalsContact C-N 3.28Å; C224-A226 PolarHBondContact O-N 3.25Å; C224-L227 PolarHBondContact O-N 3.45Å; C224-M228 WeakPolarHBondContact O-CG 3.28Å; C224-M228 PolarHBondContact O-N 3.22Å; C224-C270 WeakPolarHBondContact CA-SG 3.44Å; C224-C270 HydrophobicContact CB-CB 3.77Å; C224-C270 WeakPolarHBondContact CB-SG 3.38Å; C224-C270 VanDerWaalsContact SG-CA 3.52Å; C224-C270 WeakPolarHBondContact SG-CB 3.25Å; C224-C270 CovalentContact SG-SG 2.04Å; C224-C270 PolarHBondContact SG-SG 3.34Å; C224-V485 HydrophobicContact CB-CG1 3.67Å
225	G	95.6	Very high	94.7	Very high	5 Å²	5	30.6 Å²	30.6	5%	0.052	17%	0.169	C	C	.	.	H	α-helix	trans	-59.9	-39.8	173.4	0	0	0	0	0	111.7	G221 T222 V223 M228 K229	G221-G225 PolarHBondContact O-N 3.3Å; T222-G225 PolarHBondContact O-N 3.33Å; V223-G225 VanDerWaalsContact C-N 3.34Å; G225-M228 PolarHBondContact O-N 3.4Å; G225-K229 VanDerWaalsContact O-CB 3.32Å; G225-K229 WeakPolarHBondContact O-CB 3.11Å; G225-K229 VanDerWaalsContact O-CG 3.26Å; G225-K229 WeakPolarHBondContact O-CG 3.26Å; G225-K229 PolarHBondContact O-N 3.39Å
226	A	95.4	Very high	94.9	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-65.8	-44.8	175.2	0	0	0	0	0	112.2	T222 V223 C224 M228 K229 F230 I238 F503	T222-A226 PolarHBondContact O-N 3.15Å; V223-A226 WeakPolarHBondContact O-CB 3.26Å; V223-A226 PolarHBondContact O-N 3.4Å; C224-A226 VanDerWaalsContact C-N 3.28Å; C224-A226 PolarHBondContact O-N 3.25Å; A226-M228 VanDerWaalsContact C-N 3.33Å; A226-M228 PolarHBondContact O-N 3.39Å; A226-K229 PolarHBondContact O-N 3.49Å; A226-F230 HydrophobicContact CB-CD2 4.27Å; A226-F230 WeakPolarHBondContact O-CB 3.48Å; A226-F230 WeakPolarHBondContact O-CD2 3.43Å; A226-F230 PolarHBondContact O-N 2.86Å; A226-I238 HydrophobicContact CB-CD1 3.74Å; A226-F503 HydrophobicContact CB-CD2 3.66Å; A226-F503 HydrophobicContact CB-CE2 3.76Å; A226-F503 HydrophobicContact CB-CG 4.36Å
227	L	95.7	Very high	95	Very high	13 Å²	13	31.6 Å²	31.6	7%	0.068	17%	0.171	C	C	.	.	H	α-helix	trans	-57.3	-46.2	174.3	173.9	60.1	0	0	0	111.5	V223 C224 G231 P232 L235 C270	V223-L227 PolarHBondContact O-N 3.38Å; C224-L227 PolarHBondContact O-N 3.45Å; L227-G231 WeakPolarHBondContact O-CA 3.45Å; L227-G231 PolarHBondContact O-N 3.03Å; L227-P232 HydrophobicContact CD1-CG 4.21Å; L227-L235 HydrophobicContact CD1-CB 4.17Å; L227-L235 HydrophobicContact CD1-CD2 3.91Å; L227-L235 HydrophobicContact CD2-CD2 4.22Å; L227-L235 HydrophobicContact CG-CD2 4.48Å; L227-C270 HydrophobicContact CD2-CB 4.32Å
228	M	93.4	Very high	95.2	Very high	77 Å²	77	30.4 Å²	30.4	38%	0.379	16%	0.162	S	C	.	.	H	α-helix	trans	-70	-33.5	-177.4	-66	-64.3	162	0	0	112.9	F126 C224 G225 A226 C270	F126-M228 HydrophobicContact CE1-CE 4.09Å; F126-M228 HydrophobicContact CE1-CG 4.49Å; F126-M228 HydrophobicContact CE1-SD 3.92Å; F126-M228 HydrophobicContact CE2-CE 4.06Å; F126-M228 HydrophobicContact CZ-CE 3.58Å; F126-M228 HydrophobicContact CZ-CG 4Å; F126-M228 HydrophobicContact CZ-SD 3.81Å; C224-M228 WeakPolarHBondContact O-CG 3.28Å; C224-M228 PolarHBondContact O-N 3.22Å; G225-M228 PolarHBondContact O-N 3.4Å; A226-M228 VanDerWaalsContact C-N 3.33Å; A226-M228 PolarHBondContact O-N 3.39Å; M228-C270 HydrophobicContact CE-CB 4.01Å
229	K	93.9	Very high	95.4	Very high	40 Å²	40	29.7 Å²	29.7	17%	0.174	16%	0.157	C	C	.	.	H	α-helix	trans	-89.8	-40.9	-175.7	-69.9	176.4	173.1	68.8	0	113.5	G225 A226 C483 G484	G225-K229 VanDerWaalsContact O-CB 3.32Å; G225-K229 WeakPolarHBondContact O-CB 3.11Å; G225-K229 VanDerWaalsContact O-CG 3.26Å; G225-K229 WeakPolarHBondContact O-CG 3.26Å; G225-K229 PolarHBondContact O-N 3.39Å; A226-K229 PolarHBondContact O-N 3.49Å; K229-C483 VanDerWaalsContact CE-O 3.27Å; K229-C483 WeakPolarHBondContact CE-O 3.38Å; K229-C483 PolarHBondContact NZ-O 2.91Å; K229-G484 PolarHBondContact NZ-O 3.22Å
230	F	94.2	Very high	95.5	Very high	54 Å²	54	26 Å²	26	24%	0.237	14%	0.142	C	C	.	.	H	α-helix	trans	-115.4	-7.4	-171	-51.3	-74.5	0	0	0	112.9	A226 A234 R500 F503	A226-F230 HydrophobicContact CB-CD2 4.27Å; A226-F230 WeakPolarHBondContact O-CB 3.48Å; A226-F230 WeakPolarHBondContact O-CD2 3.43Å; A226-F230 PolarHBondContact O-N 2.86Å; F230-A234 HydrophobicContact CB-CB 3.47Å; F230-A234 VanDerWaalsContact CB-CB 3.47Å; F230-A234 HydrophobicContact CG-CB 4.45Å; F230-R500 VanDerWaalsContact CE1-O 3.31Å; F230-R500 WeakPolarHBondContact CE1-O 3.3Å; F230-F503 HydrophobicContact CD2-CB 3.87Å; F230-F503 HydrophobicContact CD2-CD2 4.49Å; F230-F503 HydrophobicContact CE2-CB 3.73Å; F230-F503 HydrophobicContact CE2-CD2 4.19Å; F230-F503 HydrophobicContact CE2-CG 4.46Å; F230-F503 HydrophobicContact CZ-CB 4.21Å
231	G	94.4	Very high	95.6	Very high	19 Å²	19	25.1 Å²	25.1	20%	0.196	14%	0.138	C	C	.	.			trans	82.6	-177.4	173.7	0	0	0	0	0	115	L227 K233 A234 L235	L227-G231 WeakPolarHBondContact O-CA 3.45Å; L227-G231 PolarHBondContact O-N 3.03Å; G231-K233 PolarHBondContact O-N 2.75Å; G231-K233 VanDerWaalsContact O-N 3.17Å; G231-A234 PolarHBondContact O-N 3.06Å; G231-L235 PolarHBondContact O-N 3.02Å
232	P	94.4	Very high	95.7	Very high	78 Å²	78	26.5 Å²	26.5	51%	0.506	15%	0.146	S	C	.	.	H	α-helix	trans	-61.6	-25.6	-174.3	-26	35.2	0	0	0	114.4	L227 L235 N236	L227-P232 HydrophobicContact CD1-CG 4.21Å; P232-L235 PolarHBondContact O-N 3.4Å; P232-N236 WeakPolarHBondContact O-CB 3.39Å; P232-N236 PolarHBondContact O-N 3.37Å
233	K	93.1	Very high	95.7	Very high	130 Å²	130	27.6 Å²	27.6	57%	0.565	15%	0.15	S	C	*	.	H	α-helix	trans	-64.7	-44.5	177.7	-66.4	-167.5	-178.9	-163.6	0	112.2	G231 N236 S237 D348	G231-K233 PolarHBondContact O-N 2.75Å; G231-K233 VanDerWaalsContact O-N 3.17Å; K233-N236 PolarHBondContact O-N 2.91Å; K233-S237 PolarHBondContact O-N 3.07Å; K233-S237 PolarHBondContact O-OG 3.39Å; K233-D348 WeakPolarHBondContact CE-OD2 3.49Å; K233-D348 IonicContact NZ-OD1 2.86Å; K233-D348 PolarHBondContact NZ-OD1 3.07Å; K233-D348 IonicContact NZ-OD2 3.57Å; K233-D348 PolarHBondContact NZ-OD2 2.95Å
234	A	94.6	Very high	95.8	Very high	19 Å²	19	27.4 Å²	27.4	16%	0.157	15%	0.149	C	C	.	.	H	α-helix	trans	-65.1	-43.4	175.9	0	0	0	0	0	110.9	F230 G231 N236 S237 I238	F230-A234 HydrophobicContact CB-CB 3.47Å; F230-A234 VanDerWaalsContact CB-CB 3.47Å; F230-A234 HydrophobicContact CG-CB 4.45Å; G231-A234 PolarHBondContact O-N 3.06Å; A234-N236 VanDerWaalsContact C-N 3.32Å; A234-N236 PolarHBondContact O-N 3.33Å; A234-S237 PolarHBondContact O-N 2.91Å; A234-I238 VanDerWaalsContact O-CG1 3.29Å; A234-I238 WeakPolarHBondContact O-CG1 3.26Å; A234-I238 PolarHBondContact O-N 2.96Å
235	L	96	Very high	95.6	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.005	15%	0.151	C	C	.	.	H	α-helix	trans	-56.3	-45.9	174.1	178.4	69.4	0	0	0	111.8	V223 L227 G231 P232 S237 I238 N239 Y266	V223-L235 HydrophobicContact CG1-CD1 3.36Å; L227-L235 HydrophobicContact CD1-CB 4.17Å; L227-L235 HydrophobicContact CD1-CD2 3.91Å; L227-L235 HydrophobicContact CD2-CD2 4.22Å; L227-L235 HydrophobicContact CG-CD2 4.48Å; G231-L235 PolarHBondContact O-N 3.02Å; P232-L235 PolarHBondContact O-N 3.4Å; L235-S237 VanDerWaalsContact C-N 3.34Å; L235-I238 PolarHBondContact O-N 2.04Å; L235-N239 VanDerWaalsContact CD1-ND2 3.28Å; L235-N239 WeakPolarHBondContact CD1-ND2 3.39Å; L235-N239 WeakPolarHBondContact O-CB 3.36Å; L235-N239 PolarHBondContact O-N 3.47Å; L235-N239 PolarHBondContact O-ND2 3.38Å; L235-Y266 HydrophobicContact CD1-CD1 4.21Å; L235-Y266 HydrophobicContact CD1-CD2 3.83Å; L235-Y266 HydrophobicContact CD1-CE2 4.27Å; L235-Y266 HydrophobicContact CD1-CG 3.8Å; L235-Y266 HydrophobicContact CD2-CD2 4.35Å; L235-Y266 HydrophobicContact CD2-CG 4.22Å; L235-Y266 HydrophobicContact CG-CD2 4.5Å
236	N	96	Very high	95.5	Very high	42 Å²	42	28.7 Å²	28.7	23%	0.225	15%	0.153	C	C	.	.	H	α-helix	trans	-64.2	-40.4	179.1	-169.2	59.9	0	0	0	111.7	P232 K233 A234 N239 T240 L259 N352	P232-N236 WeakPolarHBondContact O-CB 3.39Å; P232-N236 PolarHBondContact O-N 3.37Å; K233-N236 PolarHBondContact O-N 2.91Å; A234-N236 VanDerWaalsContact C-N 3.32Å; A234-N236 PolarHBondContact O-N 3.33Å; N236-N239 PolarHBondContact O-N 2.9Å; N236-T240 VanDerWaalsContact O-CB 3.31Å; N236-T240 WeakPolarHBondContact O-CB 3.41Å; N236-T240 PolarHBondContact O-N 2.8Å; N236-T240 PolarHBondContact O-OG1 3.06Å; N236-L259 WeakPolarHBondContact OD1-CB 3.41Å; N236-N352 PolarHBondContact ND2-OD1 3.04Å
237	S	96.7	Very high	95.5	Very high	30 Å²	30	28.7 Å²	28.7	21%	0.21	15%	0.153	C	C	.	.	H	α-helix	trans	-65.4	-46.4	178.6	-54.6	0	0	0	0	111.5	K233 A234 L235 N239 T240 A241	K233-S237 PolarHBondContact O-N 3.07Å; K233-S237 PolarHBondContact O-OG 3.39Å; A234-S237 PolarHBondContact O-N 2.91Å; L235-S237 VanDerWaalsContact C-N 3.34Å; S237-N239 PolarHBondContact O-N 2.76Å; S237-T240 WeakPolarHBondContact O-CB 3.02Å; S237-T240 PolarHBondContact O-N 3.23Å; S237-A241 PolarHBondContact O-N 3.43Å
238	I	97.5	Very high	95.5	Very high	4 Å²	4	28.1 Å²	28.1	2%	0.021	15%	0.15	C	C	.	.	H	α-helix	trans	-54.9	-52.9	174.1	-67.6	162.6	0	0	0	110.1	V223 A226 A234 L235 T240 A241 V242 T367 L371 F503	V223-I238 HydrophobicContact CG2-CG2 4.46Å; A226-I238 HydrophobicContact CB-CD1 3.74Å; A234-I238 VanDerWaalsContact O-CG1 3.29Å; A234-I238 WeakPolarHBondContact O-CG1 3.26Å; A234-I238 PolarHBondContact O-N 2.96Å; L235-I238 PolarHBondContact O-N 2.04Å; I238-T240 VanDerWaalsContact C-N 3.34Å; I238-T240 PolarHBondContact O-N 3.01Å; I238-A241 PolarHBondContact O-N 2.92Å; I238-V242 HydrophobicContact CG2-CG2 4.37Å; I238-V242 WeakPolarHBondContact O-CG2 3.26Å; I238-V242 PolarHBondContact O-N 3.43Å; I238-T367 HydrophobicContact CG2-CG2 4.37Å; I238-L371 HydrophobicContact CB-CD1 4.49Å; I238-L371 HydrophobicContact CG1-CD1 3.65Å; I238-F503 HydrophobicContact CD1-CD1 3.91Å; I238-F503 HydrophobicContact CD1-CE1 3.55Å; I238-F503 HydrophobicContact CD1-CE2 4.23Å; I238-F503 HydrophobicContact CD1-CG 4.41Å; I238-F503 HydrophobicContact CD1-CZ 3.73Å; I238-F503 HydrophobicContact CG1-CD1 4.04Å; I238-F503 HydrophobicContact CG1-CE1 3.63Å; I238-F503 HydrophobicContact CG1-CZ 4.23Å
239	N	97.5	Very high	95.4	Very high	3 Å²	3	29.1 Å²	29.1	2%	0.016	15%	0.152	C	C	.	.	H	α-helix	trans	-68.4	-33.9	-177.8	-73.7	-63.8	0	0	0	112	L235 N236 S237 A241 V242 F243 L259 V262 Y266	L235-N239 VanDerWaalsContact CD1-ND2 3.28Å; L235-N239 WeakPolarHBondContact CD1-ND2 3.39Å; L235-N239 WeakPolarHBondContact O-CB 3.36Å; L235-N239 PolarHBondContact O-N 3.47Å; L235-N239 PolarHBondContact O-ND2 3.38Å; N236-N239 PolarHBondContact O-N 2.9Å; S237-N239 PolarHBondContact O-N 2.76Å; N239-A241 PolarHBondContact O-N 2.8Å; N239-V242 PolarHBondContact O-N 2.9Å; N239-F243 HydrophobicContact CB-CD2 4.08Å; N239-F243 HydrophobicContact CB-CE2 4.2Å; N239-F243 WeakPolarHBondContact O-CB 3.43Å; N239-F243 WeakPolarHBondContact O-CD2 3.49Å; N239-F243 PolarHBondContact O-N 3.11Å; N239-L259 HydrophobicContact CB-CD2 3.41Å; N239-L259 VanDerWaalsContact CB-CD2 3.41Å; N239-V262 HydrophobicContact CB-CG1 4.21Å; N239-Y266 WeakPolarHBondContact OD1-CE2 3.42Å
240	T	98.3	Very high	95.4	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.006	15%	0.145	C	C	.	.	H	α-helix	trans	-57.3	-50.3	172.7	-61.3	0	0	0	0	109.9	N236 S237 I238 S244 L255 L259 T355	N236-T240 VanDerWaalsContact O-CB 3.31Å; N236-T240 WeakPolarHBondContact O-CB 3.41Å; N236-T240 PolarHBondContact O-N 2.8Å; N236-T240 PolarHBondContact O-OG1 3.06Å; S237-T240 WeakPolarHBondContact O-CB 3.02Å; S237-T240 PolarHBondContact O-N 3.23Å; I238-T240 VanDerWaalsContact C-N 3.34Å; I238-T240 PolarHBondContact O-N 3.01Å; T240-S244 WeakPolarHBondContact O-CB 3.46Å; T240-S244 PolarHBondContact O-N 3.38Å; T240-S244 PolarHBondContact O-OG 3.46Å; T240-L255 HydrophobicContact CG2-CD2 4.21Å; T240-L259 WeakPolarHBondContact OG1-CD1 3.48Å; T240-T355 HydrophobicContact CG2-CG2 3.94Å
241	A	97.9	Very high	95.4	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-61.9	-49	177.3	0	0	0	0	0	112	S237 I238 N239 F243 S244 K245 T355 S359 T367 L370 L371	S237-A241 PolarHBondContact O-N 3.43Å; I238-A241 PolarHBondContact O-N 2.92Å; N239-A241 PolarHBondContact O-N 2.8Å; A241-F243 PolarHBondContact O-N 2.89Å; A241-S244 PolarHBondContact O-N 3.18Å; A241-K245 WeakPolarHBondContact O-CD 3.39Å; A241-K245 WeakPolarHBondContact O-CG 3.49Å; A241-K245 PolarHBondContact O-N 3.28Å; A241-T355 HydrophobicContact CB-CG2 4.11Å; A241-S359 WeakPolarHBondContact CA-OG 3.45Å; A241-T367 HydrophobicContact CB-CG2 4.01Å; A241-L370 HydrophobicContact CB-CB 4.32Å; A241-L370 HydrophobicContact CB-CD1 4.32Å; A241-L371 HydrophobicContact CB-CD2 4.33Å
242	V	96.3	Very high	95.5	Very high	33 Å²	33	27.9 Å²	27.9	20%	0.2	15%	0.15	C	C	.	.	H	α-helix	trans	-58.7	-52.1	-179.1	170	0	0	0	0	112	I238 N239 K245 K246 T367	I238-V242 HydrophobicContact CG2-CG2 4.37Å; I238-V242 WeakPolarHBondContact O-CG2 3.26Å; I238-V242 PolarHBondContact O-N 3.43Å; N239-V242 PolarHBondContact O-N 2.9Å; V242-K245 PolarHBondContact O-N 3.23Å; V242-K246 WeakPolarHBondContact O-CB 3.01Å; V242-K246 PolarHBondContact O-N 3.49Å; V242-T367 HydrophobicContact CG2-CG2 3.85Å
243	F	96.4	Very high	95.5	Very high	26 Å²	26	32.2 Å²	32.2	11%	0.114	16%	0.164	C	C	.	.	H	α-helix	trans	-70.7	-35.2	-177.8	-77.4	-70.1	0	0	0	112.4	N239 A241 K245 K246 F247 L255 L258 L259 V262 I288	N239-F243 HydrophobicContact CB-CD2 4.08Å; N239-F243 HydrophobicContact CB-CE2 4.2Å; N239-F243 WeakPolarHBondContact O-CB 3.43Å; N239-F243 WeakPolarHBondContact O-CD2 3.49Å; N239-F243 PolarHBondContact O-N 3.11Å; A241-F243 PolarHBondContact O-N 2.89Å; F243-K245 PolarHBondContact O-N 3.42Å; F243-K246 PolarHBondContact O-N 2.68Å; F243-F247 AromaticContact CD1-CD2 3.82Å; F243-F247 HydrophobicContact CD1-CD2 3.82Å; F243-F247 AromaticContact CD1-CE2 3.71Å; F243-F247 HydrophobicContact CD1-CE2 3.71Å; F243-F247 HydrophobicContact CE1-CE2 4.05Å; F243-F247 WeakPolarHBondContact O-CA 3.05Å; F243-F247 WeakPolarHBondContact O-CB 3.23Å; F243-F247 PolarHBondContact O-N 3.02Å; F243-L255 HydrophobicContact CB-CD1 3.47Å; F243-L255 VanDerWaalsContact CB-CD1 3.47Å; F243-L255 HydrophobicContact CG-CD1 4.23Å; F243-L258 HydrophobicContact CD1-CD2 4.06Å; F243-L258 HydrophobicContact CE1-CD2 4.15Å; F243-L258 HydrophobicContact CG-CD2 4.44Å; F243-L259 HydrophobicContact CD2-CD2 4.13Å; F243-V262 HydrophobicContact CE2-CB 4.43Å; F243-V262 HydrophobicContact CE2-CG1 4.07Å; F243-V262 HydrophobicContact CE2-CG2 3.66Å; F243-V262 HydrophobicContact CZ-CG2 3.79Å; F243-I288 HydrophobicContact CE1-CD1 4.27Å
244	S	96.8	Very high	95.5	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-65.9	-37.7	176.6	-57.3	0	0	0	0	112.3	T240 A241 P248 L255 Y356 R360	T240-S244 WeakPolarHBondContact O-CB 3.46Å; T240-S244 PolarHBondContact O-N 3.38Å; T240-S244 PolarHBondContact O-OG 3.46Å; A241-S244 PolarHBondContact O-N 3.18Å; S244-P248 WeakPolarHBondContact O-CA 3.45Å; S244-L255 VanDerWaalsContact OG-CD2 3.31Å; S244-L255 WeakPolarHBondContact OG-CD2 3.43Å; S244-Y356 WeakPolarHBondContact OG-CD2 3.49Å; S244-R360 WeakPolarHBondContact O-CA 3.35Å; S244-R360 WeakPolarHBondContact O-CB 3.34Å
245	K	94.1	Very high	95.6	Very high	9 Å²	9	28 Å²	28	4%	0.039	15%	0.145	C	C	.	.	H	α-helix	trans	-68.1	-40.1	173.5	-67.2	164.3	76.4	169.1	0	112.1	A241 V242 F243 N363 L365 T367 L370 D473	A241-K245 WeakPolarHBondContact O-CD 3.39Å; A241-K245 WeakPolarHBondContact O-CG 3.49Å; A241-K245 PolarHBondContact O-N 3.28Å; V242-K245 PolarHBondContact O-N 3.23Å; F243-K245 PolarHBondContact O-N 3.42Å; K245-N363 HydrophobicContact CB-CB 4.47Å; K245-L365 WeakPolarHBondContact CE-O 3.41Å; K245-L365 PolarHBondContact NZ-O 2.72Å; K245-T367 PolarHBondContact NZ-OG1 2.83Å; K245-L370 HydrophobicContact CD-CD1 3.45Å; K245-L370 VanDerWaalsContact CD-CD1 3.45Å; K245-L370 HydrophobicContact CG-CD1 3.8Å; K245-D473 IonicContact NZ-OD2 3.1Å
246	K	93.9	Very high	95.6	Very high	24 Å²	24	31.4 Å²	31.4	10%	0.104	17%	0.166	C	C	.	.	H	α-helix	trans	-76.7	-39	-175.1	-168.6	-179.9	174.3	82.8	0	111.7	V242 F243 P248 I314 I315 T317 E320	V242-K246 WeakPolarHBondContact O-CB 3.01Å; V242-K246 PolarHBondContact O-N 3.49Å; F243-K246 PolarHBondContact O-N 2.68Å; K246-P248 VanDerWaalsContact C-CD 3.4Å; K246-P248 WeakPolarHBondContact O-CD 3.42Å; K246-I314 WeakPolarHBondContact CE-O 3.31Å; K246-I314 PolarHBondContact NZ-O 2.84Å; K246-I315 PolarHBondContact NZ-O 2.95Å; K246-T317 PolarHBondContact NZ-O 3.26Å; K246-E320 PolarHBondContact O-N 3.38Å
247	F	94.7	Very high	95.5	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.177	C	C	.	.			trans	-125.3	61.3	-176.1	-53.3	-44.9	0	0	0	111.6	F243 K249 I250 I288 I295 I299 I314	F243-F247 AromaticContact CD1-CD2 3.82Å; F243-F247 HydrophobicContact CD1-CD2 3.82Å; F243-F247 AromaticContact CD1-CE2 3.71Å; F243-F247 HydrophobicContact CD1-CE2 3.71Å; F243-F247 HydrophobicContact CE1-CE2 4.05Å; F243-F247 WeakPolarHBondContact O-CA 3.05Å; F243-F247 WeakPolarHBondContact O-CB 3.23Å; F243-F247 PolarHBondContact O-N 3.02Å; F247-K249 PolarHBondContact O-N 3.21Å; F247-I250 HydrophobicContact CB-CB 4.27Å; F247-I250 HydrophobicContact CB-CG2 4.28Å; F247-I250 WeakPolarHBondContact O-CB 3.33Å; F247-I250 WeakPolarHBondContact O-CG2 3.25Å; F247-I250 PolarHBondContact O-N 3.15Å; F247-I288 HydrophobicContact CE2-CD1 4.36Å; F247-I295 HydrophobicContact CB-CG2 3.85Å; F247-I295 HydrophobicContact CD1-CG2 3.69Å; F247-I295 HydrophobicContact CD2-CG2 3.59Å; F247-I295 HydrophobicContact CE1-CG2 4.06Å; F247-I295 HydrophobicContact CE2-CG2 3.97Å; F247-I295 HydrophobicContact CG-CG2 3.43Å; F247-I295 VanDerWaalsContact CG-CG2 3.43Å; F247-I295 HydrophobicContact CZ-CG2 4.19Å; F247-I299 HydrophobicContact CE1-CG2 4.17Å; F247-I314 HydrophobicContact CZ-CG2 4.28Å
248	P	94.6	Very high	95.5	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-15.2	-177.4	22.5	-38.1	0	0	0	115.9	S244 K246 E320 R360	S244-P248 WeakPolarHBondContact O-CA 3.45Å; K246-P248 VanDerWaalsContact C-CD 3.4Å; K246-P248 WeakPolarHBondContact O-CD 3.42Å; P248-E320 HydrophobicContact CG-CB 4.22Å; P248-R360 HydrophobicContact CB-CB 3.87Å
249	K	92.9	Very high	95.4	Very high	98 Å²	98	31.2 Å²	31.2	43%	0.426	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-19.2	175.8	-69.5	174.3	-177.3	169.7	0	113.9	F247 G251 E320 P323	F247-K249 PolarHBondContact O-N 3.21Å; K249-G251 PolarHBondContact O-N 2.94Å; K249-E320 HydrophobicContact CD-CG 3.99Å; K249-E320 HydrophobicContact CG-CG 4.48Å; K249-E320 IonicContact NZ-OE1 3.56Å; K249-E320 PolarHBondContact NZ-OE1 3.12Å; K249-P323 HydrophobicContact CG-CG 3.73Å
250	I	94.1	Very high	95.3	Very high	3 Å²	3	32.9 Å²	32.9	2%	0.015	19%	0.185	C	C	.	.	S	Bend	trans	-61.8	136	-179.5	-163.1	170.9	0	0	0	109.9	F247 D254 L255 L258 I295 Y356	F247-I250 HydrophobicContact CB-CB 4.27Å; F247-I250 HydrophobicContact CB-CG2 4.28Å; F247-I250 WeakPolarHBondContact O-CB 3.33Å; F247-I250 WeakPolarHBondContact O-CG2 3.25Å; F247-I250 PolarHBondContact O-N 3.15Å; I250-D254 HydrophobicContact CD1-CB 4.36Å; I250-D254 HydrophobicContact CG1-CB 3.89Å; I250-L255 HydrophobicContact CD1-CB 4.04Å; I250-L255 HydrophobicContact CD1-CD1 4.36Å; I250-L255 HydrophobicContact CG1-CB 4.32Å; I250-L255 HydrophobicContact CG2-CB 4.09Å; I250-L258 HydrophobicContact CD1-CD2 4.24Å; I250-I295 HydrophobicContact CD1-CD1 4.29Å; I250-I295 HydrophobicContact CD1-CG1 4.12Å; I250-I295 HydrophobicContact CG1-CG1 4.19Å; I250-Y356 HydrophobicContact CG2-CE2 4.16Å; I250-Y356 WeakPolarHBondContact O-CE2 3.31Å; I250-Y356 PolarHBondContact O-OH 3.07Å
251	G	94	Very high	95.1	Very high	30 Å²	30	34.2 Å²	34.2	31%	0.309	19%	0.192	S	C	.	.			trans	-72.9	151.2	172.9	0	0	0	0	0	111.9	K249 Q253 D254 L255	K249-G251 PolarHBondContact O-N 2.94Å; G251-Q253 VanDerWaalsContact C-N 3.3Å; G251-Q253 PolarHBondContact O-N 2.73Å; G251-D254 PolarHBondContact O-N 3.09Å; G251-D254 VanDerWaalsContact O-N 3.14Å; G251-L255 PolarHBondContact O-N 3.32Å
252	F	95.3	Very high	95.1	Very high	54 Å²	54	34.2 Å²	34.2	24%	0.237	19%	0.193	C	C	.	.	H	α-helix	trans	-57.2	-39.8	-177.7	-176.1	-125.1	0	0	0	113.6	L255 T256 N352 E353 Y356	F252-L255 PolarHBondContact O-N 3.31Å; F252-T256 WeakPolarHBondContact O-CB 3.39Å; F252-T256 PolarHBondContact O-N 2.88Å; F252-T256 PolarHBondContact O-OG1 2.99Å; F252-N352 HydrophobicContact CZ-CB 4.26Å; F252-E353 HydrophobicContact CD1-CG 4.09Å; F252-E353 HydrophobicContact CE1-CB 3.89Å; F252-E353 HydrophobicContact CE1-CG 3.94Å; F252-E353 HydrophobicContact CE2-CB 4.22Å; F252-E353 HydrophobicContact CG-CG 4.43Å; F252-E353 HydrophobicContact CZ-CB 3.73Å; F252-E353 HydrophobicContact CZ-CG 4.17Å; F252-Y356 HydrophobicContact CB-CD1 3.78Å; F252-Y356 HydrophobicContact CB-CE1 3.6Å; F252-Y356 HydrophobicContact CB-CG 4.38Å; F252-Y356 AromaticContact CD2-CD1 3.55Å; F252-Y356 HydrophobicContact CD2-CD1 3.55Å; F252-Y356 HydrophobicContact CD2-CD2 4.19Å; F252-Y356 HydrophobicContact CD2-CE1 4.25Å; F252-Y356 AromaticContact CD2-CG 3.52Å; F252-Y356 HydrophobicContact CD2-CG 3.52Å; F252-Y356 HydrophobicContact CE2-CD1 4.46Å; F252-Y356 HydrophobicContact CE2-CG 4.26Å; F252-Y356 AromaticContact CG-CD1 3.95Å; F252-Y356 HydrophobicContact CG-CD1 3.95Å; F252-Y356 HydrophobicContact CG-CE1 4.29Å; F252-Y356 HydrophobicContact CG-CG 4.34Å; F252-Y356 PolarHBondContact N-OH 3.05Å
253	Q	94.3	Very high	95	Very high	170 Å²	170	34.1 Å²	34.1	79%	0.794	19%	0.193	S	C	*	.	H	α-helix	trans	-67.9	-41.1	177.6	-68.2	-177.4	-4	0	0	112.2	G251 L255 T256 S257	G251-Q253 VanDerWaalsContact C-N 3.3Å; G251-Q253 PolarHBondContact O-N 2.73Å; Q253-L255 VanDerWaalsContact C-N 3.34Å; Q253-T256 PolarHBondContact O-N 2.04Å; Q253-S257 PolarHBondContact O-N 3.2Å
254	D	94.8	Very high	94.9	Very high	61 Å²	61	35.8 Å²	35.8	33%	0.326	21%	0.206	S	C	.	.	H	α-helix	trans	-65.4	-40	175.7	-72.3	-52.1	0	0	0	111.4	I250 G251 S257 L258 K291	I250-D254 HydrophobicContact CD1-CB 4.36Å; I250-D254 HydrophobicContact CG1-CB 3.89Å; G251-D254 PolarHBondContact O-N 3.09Å; G251-D254 VanDerWaalsContact O-N 3.14Å; D254-S257 PolarHBondContact O-N 2.82Å; D254-L258 WeakPolarHBondContact O-CB 3.34Å; D254-L258 PolarHBondContact O-N 3.21Å; D254-K291 IonicContact OD1-NZ 2.65Å; D254-K291 PolarHBondContact OD1-NZ 3.15Å
255	L	96.2	Very high	94.9	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-61.9	-47.7	173.1	177.1	61	0	0	0	111.4	T240 F243 S244 I250 G251 F252 Q253 S257 L258 L259 Y356	T240-L255 HydrophobicContact CG2-CD2 4.21Å; F243-L255 HydrophobicContact CB-CD1 3.47Å; F243-L255 VanDerWaalsContact CB-CD1 3.47Å; F243-L255 HydrophobicContact CG-CD1 4.23Å; S244-L255 VanDerWaalsContact OG-CD2 3.31Å; S244-L255 WeakPolarHBondContact OG-CD2 3.43Å; I250-L255 HydrophobicContact CD1-CB 4.04Å; I250-L255 HydrophobicContact CD1-CD1 4.36Å; I250-L255 HydrophobicContact CG1-CB 4.32Å; I250-L255 HydrophobicContact CG2-CB 4.09Å; G251-L255 PolarHBondContact O-N 3.32Å; F252-L255 PolarHBondContact O-N 3.31Å; Q253-L255 VanDerWaalsContact C-N 3.34Å; L255-S257 PolarHBondContact O-N 3.06Å; L255-L258 WeakPolarHBondContact O-CB 3.49Å; L255-L258 PolarHBondContact O-N 3.17Å; L255-L258 VanDerWaalsContact O-N 3.12Å; L255-L259 HydrophobicContact CD1-CD1 4.17Å; L255-L259 HydrophobicContact CD1-CD2 4.43Å; L255-L259 HydrophobicContact CD1-CG 4.02Å; L255-L259 HydrophobicContact CD2-CD1 4.44Å; L255-L259 HydrophobicContact CG-CD1 3.84Å; L255-L259 HydrophobicContact CG-CG 4.18Å; L255-L259 WeakPolarHBondContact O-CB 3.27Å; L255-L259 VanDerWaalsContact O-CG 3.26Å; L255-L259 WeakPolarHBondContact O-CG 3.44Å; L255-L259 PolarHBondContact O-N 2.87Å; L255-Y356 HydrophobicContact CD2-CD2 3.42Å; L255-Y356 VanDerWaalsContact CD2-CD2 3.42Å; L255-Y356 HydrophobicContact CD2-CE2 4.11Å; L255-Y356 HydrophobicContact CD2-CG 4.25Å
256	T	95.2	Very high	95.1	Very high	72 Å²	72	36.9 Å²	36.9	44%	0.442	21%	0.211	S	C	.	.	H	α-helix	trans	-58.9	-40.2	179.1	-58.7	0	0	0	0	111.3	F252 Q253 L259 G260	F252-T256 WeakPolarHBondContact O-CB 3.39Å; F252-T256 PolarHBondContact O-N 2.88Å; F252-T256 PolarHBondContact O-OG1 2.99Å; Q253-T256 PolarHBondContact O-N 2.04Å; T256-L259 PolarHBondContact O-N 3.26Å; T256-G260 PolarHBondContact O-N 3.2Å
257	S	95	Very high	95	Very high	65 Å²	65	38.8 Å²	38.8	46%	0.455	22%	0.222	S	C	.	.	H	α-helix	trans	-62.9	-47	174.6	-169.4	0	0	0	0	111.9	Q253 D254 L255 L259 G260 H287	Q253-S257 PolarHBondContact O-N 3.2Å; D254-S257 PolarHBondContact O-N 2.82Å; L255-S257 PolarHBondContact O-N 3.06Å; S257-L259 VanDerWaalsContact C-N 3.32Å; S257-L259 PolarHBondContact O-N 3.2Å; S257-G260 PolarHBondContact O-N 3.41Å; S257-H287 PolarHBondContact OG-CE1 2.95Å
258	L	95.8	Very high	95	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-60.6	-39.3	175.4	177.8	62.5	0	0	0	112.4	F243 I250 D254 L255 G260 D261 V262 V284 H287 I288	F243-L258 HydrophobicContact CD1-CD2 4.06Å; F243-L258 HydrophobicContact CE1-CD2 4.15Å; F243-L258 HydrophobicContact CG-CD2 4.44Å; I250-L258 HydrophobicContact CD1-CD2 4.24Å; D254-L258 WeakPolarHBondContact O-CB 3.34Å; D254-L258 PolarHBondContact O-N 3.21Å; L255-L258 WeakPolarHBondContact O-CB 3.49Å; L255-L258 PolarHBondContact O-N 3.17Å; L255-L258 VanDerWaalsContact O-N 3.12Å; L258-G260 VanDerWaalsContact C-N 3.25Å; L258-G260 PolarHBondContact O-N 3.01Å; L258-D261 PolarHBondContact O-N 3.38Å; L258-D261 VanDerWaalsContact O-N 3.17Å; L258-V262 HydrophobicContact CD1-CG2 4.37Å; L258-V262 HydrophobicContact CG-CG2 4.28Å; L258-V262 WeakPolarHBondContact O-CG2 3.47Å; L258-V262 PolarHBondContact O-N 2.75Å; L258-V284 HydrophobicContact CD1-CG1 4.09Å; L258-H287 HydrophobicContact CD1-CB 4.13Å; L258-I288 HydrophobicContact CD1-CD1 4.28Å; L258-I288 HydrophobicContact CD1-CG1 3.81Å; L258-I288 HydrophobicContact CD2-CD1 4.33Å; L258-I288 HydrophobicContact CD2-CG1 3.95Å
259	L	95.8	Very high	95	Very high	6 Å²	6	41.6 Å²	41.6	3%	0.031	24%	0.236	C	C	.	.	H	α-helix	trans	-63.3	-30.2	179.9	-73.3	169.7	0	0	0	112.6	N236 N239 T240 F243 L255 T256 S257 V262 S263	N236-L259 WeakPolarHBondContact OD1-CB 3.41Å; N239-L259 HydrophobicContact CB-CD2 3.41Å; N239-L259 VanDerWaalsContact CB-CD2 3.41Å; T240-L259 WeakPolarHBondContact OG1-CD1 3.48Å; F243-L259 HydrophobicContact CD2-CD2 4.13Å; L255-L259 HydrophobicContact CD1-CD1 4.17Å; L255-L259 HydrophobicContact CD1-CD2 4.43Å; L255-L259 HydrophobicContact CD1-CG 4.02Å; L255-L259 HydrophobicContact CD2-CD1 4.44Å; L255-L259 HydrophobicContact CG-CD1 3.84Å; L255-L259 HydrophobicContact CG-CG 4.18Å; L255-L259 WeakPolarHBondContact O-CB 3.27Å; L255-L259 VanDerWaalsContact O-CG 3.26Å; L255-L259 WeakPolarHBondContact O-CG 3.44Å; L255-L259 PolarHBondContact O-N 2.87Å; T256-L259 PolarHBondContact O-N 3.26Å; S257-L259 VanDerWaalsContact C-N 3.32Å; S257-L259 PolarHBondContact O-N 3.2Å; L259-V262 PolarHBondContact O-N 3.08Å; L259-S263 WeakPolarHBondContact O-CB 3.5Å; L259-S263 PolarHBondContact O-N 3.12Å
260	G	95.1	Very high	95.2	Very high	38 Å²	38	37 Å²	37	39%	0.392	22%	0.217	S	C	.	.	H	α-helix	trans	-62.6	-44.9	172.2	0	0	0	0	0	112.9	T256 S257 L258 V262 S263 T264	T256-G260 PolarHBondContact O-N 3.2Å; S257-G260 PolarHBondContact O-N 3.41Å; L258-G260 VanDerWaalsContact C-N 3.25Å; L258-G260 PolarHBondContact O-N 3.01Å; G260-V262 VanDerWaalsContact C-N 3.35Å; G260-S263 PolarHBondContact O-N 3.13Å; G260-T264 PolarHBondContact O-N 3.22Å; G260-T264 PolarHBondContact O-OG1 3.47Å; G260-T264 VanDerWaalsContact O-OG1 3.1Å
261	D	94.9	Very high	95	Very high	29 Å²	29	38.5 Å²	38.5	16%	0.155	22%	0.224	C	C	.	.	H	α-helix	trans	-65.2	-40.8	175	-67.2	-31.6	0	0	0	111.1	L258 T264 M265 Q283 V284 H287	L258-D261 PolarHBondContact O-N 3.38Å; L258-D261 VanDerWaalsContact O-N 3.17Å; D261-T264 PolarHBondContact O-N 3.46Å; D261-M265 PolarHBondContact O-N 2.7Å; D261-Q283 PolarHBondContact OD1-NE2 3.34Å; D261-V284 HydrophobicContact CB-CG2 3.8Å; D261-H287 IonicContact OD2-CE1 2.93Å; D261-H287 IonicContact OD2-CG 2.74Å; D261-H287 IonicContact OD2-ND1 2.93Å; D261-H287 PolarHBondContact OD2-ND1 3.3Å
262	V	96.4	Very high	95	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.006	21%	0.21	C	C	.	.	H	α-helix	trans	-64.6	-42.9	178.2	170.3	0	0	0	0	111.6	N239 F243 L258 L259 G260 T264 M265 Y266 V284	N239-V262 HydrophobicContact CB-CG1 4.21Å; F243-V262 HydrophobicContact CE2-CB 4.43Å; F243-V262 HydrophobicContact CE2-CG1 4.07Å; F243-V262 HydrophobicContact CE2-CG2 3.66Å; F243-V262 HydrophobicContact CZ-CG2 3.79Å; L258-V262 HydrophobicContact CD1-CG2 4.37Å; L258-V262 HydrophobicContact CG-CG2 4.28Å; L258-V262 WeakPolarHBondContact O-CG2 3.47Å; L258-V262 PolarHBondContact O-N 2.75Å; L259-V262 PolarHBondContact O-N 3.08Å; G260-V262 VanDerWaalsContact C-N 3.35Å; V262-T264 VanDerWaalsContact C-N 3.32Å; V262-T264 PolarHBondContact O-N 3.34Å; V262-M265 HydrophobicContact CG1-CE 4.43Å; V262-M265 WeakPolarHBondContact O-CB 3.4Å; V262-M265 PolarHBondContact O-N 3.49Å; V262-Y266 HydrophobicContact CG1-CD2 3.63Å; V262-Y266 HydrophobicContact CG1-CE2 3.59Å; V262-Y266 WeakPolarHBondContact O-CD2 3.05Å; V262-Y266 PolarHBondContact O-N 2.9Å; V262-V284 HydrophobicContact CG2-CG1 3.9Å; V262-V284 HydrophobicContact CG2-CG2 3.95Å
263	S	95.9	Very high	95	Very high	30 Å²	30	34.7 Å²	34.7	21%	0.21	20%	0.199	C	C	.	.	H	α-helix	trans	-58.5	-47.8	176.7	-170.4	0	0	0	0	110.5	L259 G260 M265 Y266 D267	L259-S263 WeakPolarHBondContact O-CB 3.5Å; L259-S263 PolarHBondContact O-N 3.12Å; G260-S263 PolarHBondContact O-N 3.13Å; S263-M265 VanDerWaalsContact C-N 3.29Å; S263-M265 PolarHBondContact O-N 2.66Å; S263-Y266 PolarHBondContact O-N 2.8Å; S263-D267 VanDerWaalsContact O-CG 3.3Å; S263-D267 PolarHBondContact O-N 3.08Å
264	T	94.2	Very high	95.1	Very high	62 Å²	62	26.8 Å²	26.8	38%	0.38	16%	0.163	S	C	.	.	H	α-helix	trans	-59.9	-41.1	177.3	-56.2	0	0	0	0	111.5	G260 D261 V262 D267 M268	G260-T264 PolarHBondContact O-N 3.22Å; G260-T264 PolarHBondContact O-OG1 3.47Å; G260-T264 VanDerWaalsContact O-OG1 3.1Å; D261-T264 PolarHBondContact O-N 3.46Å; V262-T264 VanDerWaalsContact C-N 3.32Å; V262-T264 PolarHBondContact O-N 3.34Å; T264-D267 PolarHBondContact O-N 2.86Å; T264-M268 HydrophobicContact CG2-CE 4.46Å; T264-M268 VanDerWaalsContact O-CG 3.26Å; T264-M268 WeakPolarHBondContact O-CG 3.01Å; T264-M268 PolarHBondContact O-N 3.09Å
265	M	96	Very high	95	Very high	16 Å²	16	24.2 Å²	24.2	8%	0.079	15%	0.15	C	C	.	.	H	α-helix	trans	-59.7	-50.5	175.4	179.1	-163.4	73	0	0	111.7	D261 V262 S263 D267 M268 C269 S280 Q281 V284	D261-M265 PolarHBondContact O-N 2.7Å; V262-M265 HydrophobicContact CG1-CE 4.43Å; V262-M265 WeakPolarHBondContact O-CB 3.4Å; V262-M265 PolarHBondContact O-N 3.49Å; S263-M265 VanDerWaalsContact C-N 3.29Å; S263-M265 PolarHBondContact O-N 2.66Å; M265-D267 PolarHBondContact O-N 2.94Å; M265-M268 PolarHBondContact O-N 3.5Å; M265-C269 VanDerWaalsContact O-CB 3.25Å; M265-C269 WeakPolarHBondContact O-CB 3.36Å; M265-C269 PolarHBondContact O-N 2.92Å; M265-C269 PolarHBondContact O-SG 2.63Å; M265-S280 VanDerWaalsContact CA-CB 3.5Å; M265-Q281 HydrophobicContact CG-CB 4.07Å; M265-Q281 HydrophobicContact SD-CB 3.74Å; M265-Q281 HydrophobicContact SD-CG 3.86Å; M265-V284 HydrophobicContact CB-CG2 4.19Å; M265-V284 HydrophobicContact SD-CG2 4.2Å
266	Y	97.3	Very high	94.9	Very high	15 Å²	15	26.2 Å²	26.2	6%	0.059	16%	0.159	C	C	.	.	H	α-helix	trans	-64	-39.6	179.4	-83.8	-76.8	0	0	0	112.4	F174 Y219 V223 L235 N239 V262 S263 M268 C269 C270	F174-Y266 AromaticContact CE2-CD1 3.94Å; F174-Y266 HydrophobicContact CE2-CD1 3.94Å; F174-Y266 AromaticContact CE2-CE1 3.89Å; F174-Y266 HydrophobicContact CE2-CE1 3.89Å; F174-Y266 AromaticContact CZ-CD1 3.78Å; F174-Y266 HydrophobicContact CZ-CD1 3.78Å; F174-Y266 AromaticContact CZ-CE1 3.97Å; F174-Y266 HydrophobicContact CZ-CE1 3.97Å; Y219-Y266 WeakPolarHBondContact CE1-OH 3.32Å; V223-Y266 HydrophobicContact CB-CE1 3.97Å; V223-Y266 HydrophobicContact CG1-CD1 3.8Å; V223-Y266 HydrophobicContact CG1-CE1 3.39Å; V223-Y266 HydrophobicContact CG1-CE2 4.44Å; L235-Y266 HydrophobicContact CD1-CD1 4.21Å; L235-Y266 HydrophobicContact CD1-CD2 3.83Å; L235-Y266 HydrophobicContact CD1-CE2 4.27Å; L235-Y266 HydrophobicContact CD1-CG 3.8Å; L235-Y266 HydrophobicContact CD2-CD2 4.35Å; L235-Y266 HydrophobicContact CD2-CG 4.22Å; L235-Y266 HydrophobicContact CG-CD2 4.5Å; N239-Y266 WeakPolarHBondContact OD1-CE2 3.42Å; V262-Y266 HydrophobicContact CG1-CD2 3.63Å; V262-Y266 HydrophobicContact CG1-CE2 3.59Å; V262-Y266 WeakPolarHBondContact O-CD2 3.05Å; V262-Y266 PolarHBondContact O-N 2.9Å; S263-Y266 PolarHBondContact O-N 2.8Å; Y266-M268 VanDerWaalsContact C-N 3.34Å; Y266-M268 PolarHBondContact O-N 2.96Å; Y266-C269 PolarHBondContact O-N 3.45Å; Y266-C270 WeakPolarHBondContact O-CB 3.38Å; Y266-C270 PolarHBondContact O-N 2.78Å; Y266-C270 PolarHBondContact O-SG 3.36Å
267	D	92.9	Very high	94.9	Very high	65 Å²	65	22.9 Å²	22.9	35%	0.348	14%	0.138	S	C	.	.	H	α-helix	trans	-55.7	-49.9	176.6	-70	-24.8	0	0	0	111.1	S263 T264 M265 E271	S263-D267 VanDerWaalsContact O-CG 3.3Å; S263-D267 PolarHBondContact O-N 3.08Å; T264-D267 PolarHBondContact O-N 2.86Å; M265-D267 PolarHBondContact O-N 2.94Å; D267-E271 WeakPolarHBondContact O-CB 3.45Å; D267-E271 PolarHBondContact O-N 3.43Å
268	M	93.5	Very high	94.9	Very high	50 Å²	50	20 Å²	20	25%	0.246	12%	0.118	C	C	.	.	H	α-helix	trans	-70.3	-44.1	-178.5	-59.3	-67.6	163.5	0	0	112.2	T264 M265 Y266 G272 D273 H276	T264-M268 HydrophobicContact CG2-CE 4.46Å; T264-M268 VanDerWaalsContact O-CG 3.26Å; T264-M268 WeakPolarHBondContact O-CG 3.01Å; T264-M268 PolarHBondContact O-N 3.09Å; M265-M268 PolarHBondContact O-N 3.5Å; Y266-M268 VanDerWaalsContact C-N 3.34Å; Y266-M268 PolarHBondContact O-N 2.96Å; M268-G272 PolarHBondContact O-N 3.41Å; M268-D273 PolarHBondContact O-N 2.79Å; M268-H276 HydrophobicContact CB-CB 3.86Å; M268-H276 HydrophobicContact CG-CB 3.84Å; M268-H276 HydrophobicContact SD-CB 3.85Å
269	C	96.4	Very high	94.8	Very high	8 Å²	8	24.9 Å²	24.9	5%	0.054	14%	0.136	C	C	.	.	H	α-helix	trans	-69.6	-42.1	-177.8	-66.7	0	0	0	0	112.5	F174 M265 Y266 G272 C277	F174-C269 HydrophobicContact CB-CB 4.49Å; F174-C269 HydrophobicContact CD1-CB 3.62Å; F174-C269 HydrophobicContact CD2-CB 3.58Å; F174-C269 HydrophobicContact CE1-CB 3.53Å; F174-C269 HydrophobicContact CE2-CB 3.5Å; F174-C269 VanDerWaalsContact CE2-CB 3.5Å; F174-C269 HydrophobicContact CG-CB 3.65Å; F174-C269 HydrophobicContact CZ-CB 3.47Å; F174-C269 VanDerWaalsContact CZ-CB 3.47Å; M265-C269 VanDerWaalsContact O-CB 3.25Å; M265-C269 WeakPolarHBondContact O-CB 3.36Å; M265-C269 PolarHBondContact O-N 2.92Å; M265-C269 PolarHBondContact O-SG 2.63Å; Y266-C269 PolarHBondContact O-N 3.45Å; C269-G272 PolarHBondContact O-N 3.21Å; C269-C277 HydrophobicContact CB-CB 3.89Å; C269-C277 WeakPolarHBondContact CB-SG 3.5Å; C269-C277 WeakPolarHBondContact SG-CA 3.4Å; C269-C277 WeakPolarHBondContact SG-CB 3.5Å; C269-C277 CovalentContact SG-SG 2.03Å; C269-C277 PolarHBondContact SG-SG 2.9Å
270	C	95.4	Very high	94.8	Very high	3 Å²	3	25 Å²	25	2%	0.02	14%	0.138	C	C	.	.	H	α-helix	trans	-67.2	-37.8	178.5	-65.4	0	0	0	0	111.7	F126 C224 L227 M228 Y266 G272	F126-C270 WeakPolarHBondContact CD2-O 3.29Å; F126-C270 WeakPolarHBondContact CE2-O 3.3Å; C224-C270 WeakPolarHBondContact CA-SG 3.44Å; C224-C270 HydrophobicContact CB-CB 3.77Å; C224-C270 WeakPolarHBondContact CB-SG 3.38Å; C224-C270 VanDerWaalsContact SG-CA 3.52Å; C224-C270 WeakPolarHBondContact SG-CB 3.25Å; C224-C270 CovalentContact SG-SG 2.04Å; C224-C270 PolarHBondContact SG-SG 3.34Å; L227-C270 HydrophobicContact CD2-CB 4.32Å; M228-C270 HydrophobicContact CE-CB 4.01Å; Y266-C270 WeakPolarHBondContact O-CB 3.38Å; Y266-C270 PolarHBondContact O-N 2.78Å; Y266-C270 PolarHBondContact O-SG 3.36Å; C270-G272 PolarHBondContact O-N 3.26Å
271	E	91.7	Very high	94.7	Very high	33 Å²	33	24.2 Å²	24.2	15%	0.154	12%	0.124	C	C	.	.	H	α-helix	trans	-61.1	-32.8	173.5	-170.6	-176.2	142.6	0	0	111.7	R122 D267	R122-E271 WeakPolarHBondContact CB-OE1 3.22Å; R122-E271 VanDerWaalsContact CD-OE1 3.24Å; R122-E271 WeakPolarHBondContact CD-OE1 3.17Å; R122-E271 IonicContact CZ-OE1 3.79Å; R122-E271 IonicContact NE-OE1 3.89Å; R122-E271 VanDerWaalsContact NH1-CD 3.34Å; R122-E271 IonicContact NH1-OE1 3.89Å; R122-E271 PolarHBondContact NH1-OE1 3.49Å; R122-E271 IonicContact NH1-OE2 3.54Å; R122-E271 PolarHBondContact NH1-OE2 2.83Å; R122-E271 VanDerWaalsContact NH1-OE2 3.1Å; D267-E271 WeakPolarHBondContact O-CB 3.45Å; D267-E271 PolarHBondContact O-N 3.43Å
272	G	93.1	Very high	94.6	Very high	3 Å²	3	23 Å²	23	3%	0.031	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	101.7	15.9	-176.5	0	0	0	0	0	114.1	Y54 M268 C269 C270 V274	Y54-G272 PolarHBondContact OH-O 2.96Å; Y54-G272 VanDerWaalsContact OH-O 3.13Å; M268-G272 PolarHBondContact O-N 3.41Å; C269-G272 PolarHBondContact O-N 3.21Å; C270-G272 PolarHBondContact O-N 3.26Å; G272-V274 VanDerWaalsContact C-N 3.33Å; G272-V274 PolarHBondContact O-N 3.21Å
273	D	95.3	Very high	94.5	Very high	1 Å²	1	27 Å²	27	1%	0.005	14%	0.136	C	C	.	.			trans	-73.2	89.3	170.7	-170.8	-31.9	0	0	0	109.6	N91 M268 V275 H276 C277	N91-D273 HydrophobicContact CB-CB 4.05Å; N91-D273 VanDerWaalsContact CB-CG 3.46Å; N91-D273 VanDerWaalsContact CB-OD2 3.26Å; N91-D273 WeakPolarHBondContact CB-OD2 3.45Å; M268-D273 PolarHBondContact O-N 2.79Å; D273-V275 PolarHBondContact O-N 2.96Å; D273-V275 VanDerWaalsContact O-N 3.15Å; D273-V275 PolarHBondContact OD1-N 3.23Å; D273-H276 HydrophobicContact CB-CB 4.13Å; D273-H276 VanDerWaalsContact CG-CB 3.49Å; D273-H276 PolarHBondContact O-N 3.31Å; D273-H276 IonicContact OD1-CG 2.96Å; D273-H276 PolarHBondContact OD1-N 3.45Å; D273-H276 IonicContact OD2-CD2 2.93Å; D273-H276 IonicContact OD2-CG 3.56Å; D273-H276 IonicContact OD2-ND1 3.84Å; D273-C277 WeakPolarHBondContact O-CB 3.37Å; D273-C277 PolarHBondContact O-N 2.75Å
274	V	95.8	Very high	94.4	Very high	4 Å²	4	25.6 Å²	25.6	2%	0.024	13%	0.127	C	C	.	.	H	α-helix	trans	-60.3	-27.2	-174.4	-59.6	0	0	0	0	113.7	L46 I49 A50 I94 S175 G272	L46-V274 HydrophobicContact CB-CG2 4.06Å; L46-V274 HydrophobicContact CD2-CB 4.23Å; L46-V274 HydrophobicContact CD2-CG2 4.27Å; I49-V274 HydrophobicContact CB-CG1 4.4Å; I49-V274 HydrophobicContact CG2-CG1 3.75Å; A50-V274 HydrophobicContact CB-CG1 3.94Å; A50-V274 HydrophobicContact CB-CG2 3.88Å; I94-V274 HydrophobicContact CD1-CG2 4.48Å; S175-V274 PolarHBondContact OG-O 3.47Å; G272-V274 VanDerWaalsContact C-N 3.33Å; G272-V274 PolarHBondContact O-N 3.21Å
275	V	94.2	Very high	94.5	Very high	8 Å²	8	23.2 Å²	23.2	5%	0.048	11%	0.111	C	C	.	.	H	α-helix	trans	-85.2	-48.2	-177.7	176.7	0	0	0	0	110.1	I39 L46 A90 D273 C277 I278 R279	I39-V275 HydrophobicContact CD1-CG1 4.14Å; I39-V275 HydrophobicContact CG2-CG1 3.95Å; L46-V275 HydrophobicContact CD1-CG2 4.36Å; A90-V275 HydrophobicContact CB-CB 3.85Å; A90-V275 HydrophobicContact CB-CG1 4.05Å; A90-V275 HydrophobicContact CB-CG2 3.61Å; D273-V275 PolarHBondContact O-N 2.96Å; D273-V275 VanDerWaalsContact O-N 3.15Å; D273-V275 PolarHBondContact OD1-N 3.23Å; V275-C277 VanDerWaalsContact C-N 3.25Å; V275-C277 PolarHBondContact O-N 3.02Å; V275-I278 PolarHBondContact O-N 3.41Å; V275-R279 WeakPolarHBondContact O-CG 3.43Å; V275-R279 PolarHBondContact O-N 3.48Å; V275-R279 VanDerWaalsContact O-N 3.1Å
276	H	93.6	Very high	94.3	Very high	42 Å²	42	23.8 Å²	23.8	19%	0.194	12%	0.115	C	C	.	.	H	α-helix	trans	-66.2	-31.2	175.4	-80.9	-150.9	0	0	0	112	M268 D273 R279 S280	M268-H276 HydrophobicContact CB-CB 3.86Å; M268-H276 HydrophobicContact CG-CB 3.84Å; M268-H276 HydrophobicContact SD-CB 3.85Å; D273-H276 HydrophobicContact CB-CB 4.13Å; D273-H276 VanDerWaalsContact CG-CB 3.49Å; D273-H276 PolarHBondContact O-N 3.31Å; D273-H276 IonicContact OD1-CG 2.96Å; D273-H276 PolarHBondContact OD1-N 3.45Å; D273-H276 IonicContact OD2-CD2 2.93Å; D273-H276 IonicContact OD2-CG 3.56Å; D273-H276 IonicContact OD2-ND1 3.84Å; H276-R279 PolarHBondContact NE2-NH1 2.79Å; H276-R279 PolarHBondContact O-N 3.44Å; H276-S280 VanDerWaalsContact O-CB 3.29Å; H276-S280 WeakPolarHBondContact O-CB 3.49Å; H276-S280 PolarHBondContact O-N 3.3Å; H276-S280 PolarHBondContact O-OG 3.49Å
277	C	95.6	Very high	94.1	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.007	12%	0.117	C	C	.	.	H	α-helix	trans	-58.2	-48.9	172.6	-177.6	0	0	0	0	111.7	C269 D273 V275 R279 S280 Q281	C269-C277 HydrophobicContact CB-CB 3.89Å; C269-C277 WeakPolarHBondContact CB-SG 3.5Å; C269-C277 WeakPolarHBondContact SG-CA 3.4Å; C269-C277 WeakPolarHBondContact SG-CB 3.5Å; C269-C277 CovalentContact SG-SG 2.03Å; C269-C277 PolarHBondContact SG-SG 2.9Å; D273-C277 WeakPolarHBondContact O-CB 3.37Å; D273-C277 PolarHBondContact O-N 2.75Å; V275-C277 VanDerWaalsContact C-N 3.25Å; V275-C277 PolarHBondContact O-N 3.02Å; C277-R279 PolarHBondContact O-N 2.98Å; C277-S280 PolarHBondContact O-N 3.31Å; C277-Q281 VanDerWaalsContact O-CB 3.31Å; C277-Q281 WeakPolarHBondContact O-CB 3.48Å; C277-Q281 PolarHBondContact O-N 2.79Å
278	I	94.9	Very high	94.2	Very high	5 Å²	5	21.2 Å²	21.2	3%	0.026	10%	0.101	C	C	.	.	H	α-helix	trans	-60.8	-46.2	175	-73.3	165.3	0	0	0	111.6	T35 F38 I39 L46 P176 L179 V275 S282	T35-I278 HydrophobicContact CG2-CG2 4.35Å; F38-I278 HydrophobicContact CD1-CG2 4.1Å; F38-I278 HydrophobicContact CE1-CD1 4.35Å; F38-I278 HydrophobicContact CE1-CG2 4.33Å; I39-I278 HydrophobicContact CD1-CG2 4.07Å; I39-I278 HydrophobicContact CG1-CB 4.42Å; I39-I278 HydrophobicContact CG1-CG2 3.84Å; L46-I278 HydrophobicContact CD1-CD1 3.8Å; L46-I278 HydrophobicContact CD2-CD1 3.25Å; L46-I278 HydrophobicContact CG-CD1 4.13Å; P176-I278 HydrophobicContact CG-CG1 3.76Å; L179-I278 HydrophobicContact CD1-CD1 3.74Å; V275-I278 PolarHBondContact O-N 3.41Å; I278-S282 VanDerWaalsContact O-CB 3.31Å; I278-S282 WeakPolarHBondContact O-CB 3.5Å; I278-S282 PolarHBondContact O-N 3.45Å
279	R	93.9	Very high	94.3	Very high	102 Å²	102	19.7 Å²	19.7	39%	0.385	10%	0.095	S	C	.	.	H	α-helix	trans	-60.1	-48.9	-179.3	-70.3	179	-179.2	157.3	-1.2	111.4	T35 I39 V275 H276 C277 S282 Q283	T35-R279 HydrophobicContact CG2-CG 4.24Å; I39-R279 HydrophobicContact CD1-CG 3.48Å; I39-R279 VanDerWaalsContact CD1-CG 3.48Å; V275-R279 WeakPolarHBondContact O-CG 3.43Å; V275-R279 PolarHBondContact O-N 3.48Å; V275-R279 VanDerWaalsContact O-N 3.1Å; H276-R279 PolarHBondContact NE2-NH1 2.79Å; H276-R279 PolarHBondContact O-N 3.44Å; C277-R279 PolarHBondContact O-N 2.98Å; R279-S282 WeakPolarHBondContact O-CB 3.03Å; R279-S282 PolarHBondContact O-N 3.44Å; R279-Q283 PolarHBondContact O-N 3.23Å
280	S	93.9	Very high	94.1	Very high	10 Å²	10	23.6 Å²	23.6	7%	0.07	12%	0.123	C	C	.	.	H	α-helix	trans	-69.9	-39.6	-177	-50.7	0	0	0	0	111.4	M265 H276 C277 S282 Q283 V284	M265-S280 VanDerWaalsContact CA-CB 3.5Å; H276-S280 VanDerWaalsContact O-CB 3.29Å; H276-S280 WeakPolarHBondContact O-CB 3.49Å; H276-S280 PolarHBondContact O-N 3.3Å; H276-S280 PolarHBondContact O-OG 3.49Å; C277-S280 PolarHBondContact O-N 3.31Å; S280-S282 PolarHBondContact O-N 2.91Å; S280-Q283 WeakPolarHBondContact O-CB 3.46Å; S280-Q283 PolarHBondContact O-N 2.98Å; S280-V284 WeakPolarHBondContact O-CG2 3.17Å; S280-V284 PolarHBondContact O-N 3.48Å
281	Q	93.4	Very high	94	Very high	20 Å²	20	26.4 Å²	26.4	9%	0.093	13%	0.134	C	C	.	.	H	α-helix	trans	-64.6	-41.3	173.4	-173.9	167.7	-5.2	0	0	111.3	P176 M265 C277 Q283 V284 M285	P176-Q281 HydrophobicContact CG-CB 4.46Å; M265-Q281 HydrophobicContact CG-CB 4.07Å; M265-Q281 HydrophobicContact SD-CB 3.74Å; M265-Q281 HydrophobicContact SD-CG 3.86Å; C277-Q281 VanDerWaalsContact O-CB 3.31Å; C277-Q281 WeakPolarHBondContact O-CB 3.48Å; C277-Q281 PolarHBondContact O-N 2.79Å; Q281-Q283 VanDerWaalsContact C-N 3.3Å; Q281-Q283 PolarHBondContact O-N 3.41Å; Q281-V284 PolarHBondContact O-N 2.87Å; Q281-M285 HydrophobicContact CG-CE 3.88Å; Q281-M285 HydrophobicContact CG-CG 4.49Å; Q281-M285 VanDerWaalsContact O-CG 3.3Å; Q281-M285 WeakPolarHBondContact O-CG 3.03Å; Q281-M285 PolarHBondContact O-N 2.04Å
282	S	93.5	Very high	94	Very high	5 Å²	5	27.3 Å²	27.3	4%	0.035	14%	0.139	C	C	.	.	H	α-helix	trans	-59.4	-41.9	174	-175	0	0	0	0	111.6	T35 I278 R279 S280 M285 N286 M307 R310	T35-S282 WeakPolarHBondContact OG1-CB 3.07Å; T35-S282 PolarHBondContact OG1-OG 2.94Å; I278-S282 VanDerWaalsContact O-CB 3.31Å; I278-S282 WeakPolarHBondContact O-CB 3.5Å; I278-S282 PolarHBondContact O-N 3.45Å; R279-S282 WeakPolarHBondContact O-CB 3.03Å; R279-S282 PolarHBondContact O-N 3.44Å; S280-S282 PolarHBondContact O-N 2.91Å; S282-M285 PolarHBondContact O-N 3.23Å; S282-N286 WeakPolarHBondContact O-CB 3.4Å; S282-N286 PolarHBondContact O-N 3.44Å; S282-N286 PolarHBondContact O-ND2 3.4Å; S282-N286 PolarHBondContact OG-ND2 2.84Å; S282-M307 PolarHBondContact OG-SD 3.48Å; S282-M307 VanDerWaalsContact OG-SD 3.37Å; S282-R310 PolarHBondContact OG-NH2 3.37Å
283	Q	93.8	Very high	93.8	Very high	83 Å²	83	32.5 Å²	32.5	39%	0.388	17%	0.166	S	C	.	.	H	α-helix	trans	-59	-47.9	174.6	177.5	174.2	-13.3	0	0	112.1	D261 R279 S280 Q281 M285 N286 H287	D261-Q283 PolarHBondContact OD1-NE2 3.34Å; R279-Q283 PolarHBondContact O-N 3.23Å; S280-Q283 WeakPolarHBondContact O-CB 3.46Å; S280-Q283 PolarHBondContact O-N 2.98Å; Q281-Q283 VanDerWaalsContact C-N 3.3Å; Q281-Q283 PolarHBondContact O-N 3.41Å; Q283-M285 VanDerWaalsContact C-N 3.34Å; Q283-M285 PolarHBondContact O-N 3.42Å; Q283-N286 PolarHBondContact O-N 2.98Å; Q283-H287 PolarHBondContact O-N 3.14Å
284	V	94.9	Very high	93.4	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.012	20%	0.198	C	C	.	.	H	α-helix	trans	-56.2	-47.9	174.5	170.9	0	0	0	0	111	L258 D261 V262 M265 S280 Q281 N286 H287 I288	L258-V284 HydrophobicContact CD1-CG1 4.09Å; D261-V284 HydrophobicContact CB-CG2 3.8Å; V262-V284 HydrophobicContact CG2-CG1 3.9Å; V262-V284 HydrophobicContact CG2-CG2 3.95Å; M265-V284 HydrophobicContact CB-CG2 4.19Å; M265-V284 HydrophobicContact SD-CG2 4.2Å; S280-V284 WeakPolarHBondContact O-CG2 3.17Å; S280-V284 PolarHBondContact O-N 3.48Å; Q281-V284 PolarHBondContact O-N 2.87Å; V284-N286 PolarHBondContact O-N 3.44Å; V284-H287 WeakPolarHBondContact O-CB 3.42Å; V284-H287 PolarHBondContact O-N 3.46Å; V284-I288 HydrophobicContact CG1-CD1 4.02Å; V284-I288 WeakPolarHBondContact O-CG1 3.31Å; V284-I288 PolarHBondContact O-N 3.11Å
285	M	94.3	Very high	93.1	Very high	11 Å²	11	39.9 Å²	39.9	5%	0.054	20%	0.198	C	C	.	.	H	α-helix	trans	-66.8	-36.7	-179.8	-60	-51.1	158.3	0	0	112.4	Q281 S282 Q283 I288 C289 I314 I315	Q281-M285 HydrophobicContact CG-CE 3.88Å; Q281-M285 HydrophobicContact CG-CG 4.49Å; Q281-M285 VanDerWaalsContact O-CG 3.3Å; Q281-M285 WeakPolarHBondContact O-CG 3.03Å; Q281-M285 PolarHBondContact O-N 2.04Å; S282-M285 PolarHBondContact O-N 3.23Å; Q283-M285 VanDerWaalsContact C-N 3.34Å; Q283-M285 PolarHBondContact O-N 3.42Å; M285-I288 PolarHBondContact O-N 2.96Å; M285-I288 HydrophobicContact SD-CD1 4.39Å; M285-C289 WeakPolarHBondContact O-CB 3.25Å; M285-C289 PolarHBondContact O-N 3.43Å; M285-C289 PolarHBondContact O-SG 3.42Å; M285-C289 VanDerWaalsContact O-SG 3.4Å; M285-I314 HydrophobicContact CB-CD1 4.24Å; M285-I314 HydrophobicContact CG-CD1 4.43Å; M285-I314 HydrophobicContact SD-CB 4.08Å; M285-I314 HydrophobicContact SD-CD1 3.75Å; M285-I314 HydrophobicContact SD-CG2 4.12Å; M285-I315 HydrophobicContact CE-CD1 4.03Å; M285-I315 HydrophobicContact CE-CG1 4.14Å
286	N	93	Very high	93	Very high	29 Å²	29	39.5 Å²	39.5	16%	0.155	20%	0.196	C	C	.	.	H	α-helix	trans	-65.4	-42.5	174.9	-68.7	-30.8	0	0	0	111.3	P31 S282 Q283 V284 C289 S290 R310	P31-N286 VanDerWaalsContact CB-ND2 3.32Å; P31-N286 WeakPolarHBondContact CB-ND2 3.39Å; S282-N286 WeakPolarHBondContact O-CB 3.4Å; S282-N286 PolarHBondContact O-N 3.44Å; S282-N286 PolarHBondContact O-ND2 3.4Å; S282-N286 PolarHBondContact OG-ND2 2.84Å; Q283-N286 PolarHBondContact O-N 2.98Å; V284-N286 PolarHBondContact O-N 3.44Å; N286-C289 PolarHBondContact O-N 3.42Å; N286-S290 VanDerWaalsContact O-CB 3.3Å; N286-S290 WeakPolarHBondContact O-CB 3.2Å; N286-S290 PolarHBondContact O-N 2.87Å; N286-S290 PolarHBondContact O-OG 3.28Å; N286-R310 PolarHBondContact OD1-NH1 2.8Å; N286-R310 PolarHBondContact OD1-NH2 2.93Å
287	H	93.2	Very high	92.9	Very high	24 Å²	24	40.7 Å²	40.7	11%	0.111	21%	0.208	C	C	.	.	H	α-helix	trans	-57.1	-51.9	174.9	-167.8	148	0	0	0	110	S257 L258 D261 Q283 V284 C289 S290	S257-H287 PolarHBondContact OG-CE1 2.95Å; L258-H287 HydrophobicContact CD1-CB 4.13Å; D261-H287 IonicContact OD2-CE1 2.93Å; D261-H287 IonicContact OD2-CG 2.74Å; D261-H287 IonicContact OD2-ND1 2.93Å; D261-H287 PolarHBondContact OD2-ND1 3.3Å; Q283-H287 PolarHBondContact O-N 3.14Å; V284-H287 WeakPolarHBondContact O-CB 3.42Å; V284-H287 PolarHBondContact O-N 3.46Å; H287-C289 PolarHBondContact O-N 3.37Å; H287-S290 PolarHBondContact O-N 3.35Å; H287-S290 PolarHBondContact O-OG 3.07Å
288	I	94.4	Very high	92.8	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.01	22%	0.222	C	C	.	.	H	α-helix	trans	-57.1	-50.2	178.3	-68.8	168.4	0	0	0	111	F243 F247 L258 V284 M285 S290 K291 Q292 I295 I299 I314	F243-I288 HydrophobicContact CE1-CD1 4.27Å; F247-I288 HydrophobicContact CE2-CD1 4.36Å; L258-I288 HydrophobicContact CD1-CD1 4.28Å; L258-I288 HydrophobicContact CD1-CG1 3.81Å; L258-I288 HydrophobicContact CD2-CD1 4.33Å; L258-I288 HydrophobicContact CD2-CG1 3.95Å; V284-I288 HydrophobicContact CG1-CD1 4.02Å; V284-I288 WeakPolarHBondContact O-CG1 3.31Å; V284-I288 PolarHBondContact O-N 3.11Å; M285-I288 PolarHBondContact O-N 2.96Å; M285-I288 HydrophobicContact SD-CD1 4.39Å; I288-S290 PolarHBondContact O-N 3.25Å; I288-K291 CarbonylContact O-C 3.58Å; I288-K291 PolarHBondContact O-N 3.21Å; I288-Q292 PolarHBondContact O-N 2.9Å; I288-Q292 VanDerWaalsContact O-N 3.15Å; I288-I295 HydrophobicContact CG2-CD1 4.5Å; I288-I295 HydrophobicContact CG2-CG2 4.41Å; I288-I299 HydrophobicContact CG2-CD1 3.45Å; I288-I299 VanDerWaalsContact CG2-CD1 3.45Å; I288-I314 HydrophobicContact CD1-CG2 4.24Å; I288-I314 HydrophobicContact CG2-CD1 4.39Å; I288-I314 HydrophobicContact CG2-CG2 4.31Å
289	C	94.9	Very high	92.7	Very high	17 Å²	17	43.5 Å²	43.5	12%	0.115	22%	0.22	C	C	.	.	H	α-helix	trans	-68.5	-31.5	-177.2	-72.2	0	0	0	0	113.9	M285 N286 H287 K291 Q292 C303	M285-C289 WeakPolarHBondContact O-CB 3.25Å; M285-C289 PolarHBondContact O-N 3.43Å; M285-C289 PolarHBondContact O-SG 3.42Å; M285-C289 VanDerWaalsContact O-SG 3.4Å; N286-C289 PolarHBondContact O-N 3.42Å; H287-C289 PolarHBondContact O-N 3.37Å; C289-K291 PolarHBondContact O-N 3.33Å; C289-Q292 WeakPolarHBondContact O-CB 2.96Å; C289-Q292 WeakPolarHBondContact O-CG 3.47Å; C289-Q292 PolarHBondContact O-N 2.9Å; C289-C303 WeakPolarHBondContact CA-SG 3.42Å; C289-C303 HydrophobicContact CB-CB 3.73Å; C289-C303 WeakPolarHBondContact CB-SG 3.07Å; C289-C303 WeakPolarHBondContact SG-CA 3.35Å; C289-C303 WeakPolarHBondContact SG-CB 3.33Å; C289-C303 CovalentContact SG-SG 2.05Å; C289-C303 PolarHBondContact SG-SG 2.91Å
290	S	93.8	Very high	92.7	Very high	91 Å²	91	43.1 Å²	43.1	64%	0.636	22%	0.222	S	C	*	.	H	α-helix	trans	-64	-22.8	177.2	73.7	0	0	0	0	113.4	N286 H287 I288	N286-S290 VanDerWaalsContact O-CB 3.3Å; N286-S290 WeakPolarHBondContact O-CB 3.2Å; N286-S290 PolarHBondContact O-N 2.87Å; N286-S290 PolarHBondContact O-OG 3.28Å; H287-S290 PolarHBondContact O-N 3.35Å; H287-S290 PolarHBondContact O-OG 3.07Å; I288-S290 PolarHBondContact O-N 3.25Å
291	K	92.9	Very high	92.7	Very high	61 Å²	61	50.2 Å²	50.2	27%	0.265	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.9	23.3	179.4	-63.4	179.6	-178.3	174.8	0	112.3	D254 I288 C289 D293 F294 I295	D254-K291 IonicContact OD1-NZ 2.65Å; D254-K291 PolarHBondContact OD1-NZ 3.15Å; I288-K291 CarbonylContact O-C 3.58Å; I288-K291 PolarHBondContact O-N 3.21Å; C289-K291 PolarHBondContact O-N 3.33Å; K291-D293 VanDerWaalsContact C-N 3.27Å; K291-D293 PolarHBondContact O-N 2.71Å; K291-D293 VanDerWaalsContact O-N 3.13Å; K291-F294 PolarHBondContact O-N 3.06Å; K291-I295 HydrophobicContact CB-CD1 3.79Å; K291-I295 HydrophobicContact CB-CG1 4.16Å; K291-I295 WeakPolarHBondContact O-CG1 2.9Å; K291-I295 PolarHBondContact O-N 3.3Å
292	Q	91.5	Very high	92.8	Very high	53 Å²	53	49.4 Å²	49.4	25%	0.248	25%	0.25	C	S	.	.	H	α-helix	trans	-53.2	-39.9	-171.3	61.3	-179.4	-37	0	0	113.8	I288 C289 F294 I295 S296 I299	I288-Q292 PolarHBondContact O-N 2.9Å; I288-Q292 VanDerWaalsContact O-N 3.15Å; C289-Q292 WeakPolarHBondContact O-CB 2.96Å; C289-Q292 WeakPolarHBondContact O-CG 3.47Å; C289-Q292 PolarHBondContact O-N 2.9Å; Q292-F294 PolarHBondContact O-N 3.1Å; Q292-I295 PolarHBondContact O-N 2.83Å; Q292-S296 CarbonylContact O-C 3.48Å; Q292-S296 PolarHBondContact O-N 3.35Å; Q292-I299 HydrophobicContact CB-CD1 3.97Å; Q292-I299 HydrophobicContact CB-CG1 4.21Å
293	D	88.9	Confident	92.9	Very high	111 Å²	111	50.3 Å²	50.3	59%	0.594	26%	0.256	S	S	*	.	H	α-helix	trans	-64.8	-23.4	-178.4	-71.5	-45	0	0	0	113.3	K291 K300	K291-D293 VanDerWaalsContact C-N 3.27Å; K291-D293 PolarHBondContact O-N 2.71Å; K291-D293 VanDerWaalsContact O-N 3.13Å; D293-K300 WeakPolarHBondContact OD1-CE 3.15Å; D293-K300 IonicContact OD1-NZ 3.59Å; D293-K300 PolarHBondContact OD1-NZ 3.33Å
294	F	87.9	Confident	92.8	Very high	157 Å²	157	53.9 Å²	53.9	69%	0.689	27%	0.273	S	S	*	.	H	α-helix	trans	-98	-23.2	176.7	-58.4	-77.1	0	0	0	112.8	K291 Q292	K291-F294 PolarHBondContact O-N 3.06Å; Q292-F294 PolarHBondContact O-N 3.1Å
295	I	89.5	Confident	92.7	Very high	3 Å²	3	57.9 Å²	57.9	2%	0.015	29%	0.29	C	S	.	.	H	α-helix	trans	-87.6	-54.7	-177.3	-68.8	176.2	0	0	0	111.2	F247 I250 I288 K291 Q292 I299	F247-I295 HydrophobicContact CB-CG2 3.85Å; F247-I295 HydrophobicContact CD1-CG2 3.69Å; F247-I295 HydrophobicContact CD2-CG2 3.59Å; F247-I295 HydrophobicContact CE1-CG2 4.06Å; F247-I295 HydrophobicContact CE2-CG2 3.97Å; F247-I295 HydrophobicContact CG-CG2 3.43Å; F247-I295 VanDerWaalsContact CG-CG2 3.43Å; F247-I295 HydrophobicContact CZ-CG2 4.19Å; I250-I295 HydrophobicContact CD1-CD1 4.29Å; I250-I295 HydrophobicContact CD1-CG1 4.12Å; I250-I295 HydrophobicContact CG1-CG1 4.19Å; I288-I295 HydrophobicContact CG2-CD1 4.5Å; I288-I295 HydrophobicContact CG2-CG2 4.41Å; K291-I295 HydrophobicContact CB-CD1 3.79Å; K291-I295 HydrophobicContact CB-CG1 4.16Å; K291-I295 WeakPolarHBondContact O-CG1 2.9Å; K291-I295 PolarHBondContact O-N 3.3Å; Q292-I295 PolarHBondContact O-N 2.83Å; I295-I299 HydrophobicContact CG2-CD1 4.39Å
296	S	91.4	Very high	92.4	Very high	1 Å²	1	65.8 Å²	65.8	1%	0.007	32%	0.324	C	S	.	.			trans	-162.9	136.5	-178.9	175	0	0	0	0	112.4	Q292 K298 I299 E320	Q292-S296 CarbonylContact O-C 3.48Å; Q292-S296 PolarHBondContact O-N 3.35Å; S296-K298 VanDerWaalsContact C-N 3.25Å; S296-K298 PolarHBondContact O-N 3.49Å; S296-K298 PolarHBondContact OG-N 2.87Å; S296-K298 VanDerWaalsContact OG-N 3.08Å; S296-I299 VanDerWaalsContact O-CG1 3.3Å; S296-I299 WeakPolarHBondContact O-CG1 2.9Å; S296-E320 VanDerWaalsContact CA-OE2 3.25Å; S296-E320 WeakPolarHBondContact CA-OE2 3.27Å; S296-E320 WeakPolarHBondContact CB-OE2 3.26Å; S296-E320 PolarHBondContact OG-OE2 3.46Å
297	S	90.4	Very high	91.9	Very high	66 Å²	66	66.3 Å²	66.3	46%	0.462	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-72.7	-21.6	172.3	66.5	0	0	0	0	112.7	E320	S297-E320 PolarHBondContact N-OE2 3.02Å; S297-E320 PolarHBondContact OG-OE1 3.49Å; S297-E320 PolarHBondContact OG-OE2 3.43Å
298	K	93.4	Very high	91.2	Very high	65 Å²	65	66.6 Å²	66.6	28%	0.283	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-82.1	-9.4	-173.3	-59.2	-174.6	-176.9	179.1	0	114	S296 T317 N318 K319 D321	S296-K298 VanDerWaalsContact C-N 3.25Å; S296-K298 PolarHBondContact O-N 3.49Å; S296-K298 PolarHBondContact OG-N 2.87Å; S296-K298 VanDerWaalsContact OG-N 3.08Å; K298-T317 HydrophobicContact CB-CG2 3.66Å; K298-T317 WeakPolarHBondContact O-CG2 3.31Å; K298-N318 HydrophobicContact CD-CB 4.29Å; K298-K319 PolarHBondContact NZ-O 3.05Å; K298-D321 IonicContact NZ-OD1 3.54Å; K298-D321 PolarHBondContact NZ-OD1 2.79Å; K298-D321 IonicContact NZ-OD2 2.77Å
299	I	94.4	Very high	90.8	Very high	0 Å²	0	71.9 Å²	71.9	0%	0	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-101.7	4.2	-175.9	60.4	167.9	0	0	0	114.6	F247 I288 Q292 I295 S296 E301 C302 C303 T317	F247-I299 HydrophobicContact CE1-CG2 4.17Å; I288-I299 HydrophobicContact CG2-CD1 3.45Å; I288-I299 VanDerWaalsContact CG2-CD1 3.45Å; Q292-I299 HydrophobicContact CB-CD1 3.97Å; Q292-I299 HydrophobicContact CB-CG1 4.21Å; I295-I299 HydrophobicContact CG2-CD1 4.39Å; S296-I299 VanDerWaalsContact O-CG1 3.3Å; S296-I299 WeakPolarHBondContact O-CG1 2.9Å; I299-E301 PolarHBondContact O-N 2.92Å; I299-C302 WeakPolarHBondContact O-CB 3.35Å; I299-C302 PolarHBondContact O-N 3.4Å; I299-C302 VanDerWaalsContact O-N 3.07Å; I299-C303 PolarHBondContact O-N 2.87Å; I299-T317 HydrophobicContact CG2-CG2 4.02Å
300	K	93.9	Very high	90.6	Very high	95 Å²	95	72.6 Å²	72.6	41%	0.413	36%	0.355	S	S	.	.	H	α-helix	trans	-56.9	-51.7	-175.6	-70.5	-173.2	174.5	-161.1	0	112.7	D293 C302 C303 E304	D293-K300 WeakPolarHBondContact OD1-CE 3.15Å; D293-K300 IonicContact OD1-NZ 3.59Å; D293-K300 PolarHBondContact OD1-NZ 3.33Å; K300-C302 VanDerWaalsContact C-N 3.25Å; K300-C302 PolarHBondContact O-N 2.74Å; K300-C303 PolarHBondContact O-N 3.39Å; K300-E304 PolarHBondContact O-N 3.2Å
301	E	93.8	Very high	90.3	Very high	158 Å²	158	68.5 Å²	68.5	74%	0.738	33%	0.327	S	S	*	.	H	α-helix	trans	-63.2	-33.2	177	-63.7	-178.1	-179.5	0	0	112.1	I299 E304	I299-E301 PolarHBondContact O-N 2.92Å; E301-E304 PolarHBondContact O-N 2.94Å
302	C	94.5	Very high	90	Very high	3 Å²	3	67 Å²	67	2%	0.02	32%	0.322	C	S	.	.	H	α-helix	trans	-66.3	-40.4	176.3	-61.4	0	0	0	0	112	I299 K300 E304 K305 R310 C313 I314 T317	I299-C302 WeakPolarHBondContact O-CB 3.35Å; I299-C302 PolarHBondContact O-N 3.4Å; I299-C302 VanDerWaalsContact O-N 3.07Å; K300-C302 VanDerWaalsContact C-N 3.25Å; K300-C302 PolarHBondContact O-N 2.74Å; C302-E304 PolarHBondContact O-N 2.84Å; C302-K305 WeakPolarHBondContact O-CB 3.39Å; C302-K305 PolarHBondContact O-N 3.39Å; C302-R310 WeakPolarHBondContact O-CG 3.47Å; C302-C313 WeakPolarHBondContact CA-SG 3.08Å; C302-C313 HydrophobicContact CB-CB 3.58Å; C302-C313 WeakPolarHBondContact CB-SG 3.22Å; C302-C313 WeakPolarHBondContact SG-CB 3.04Å; C302-C313 PolarHBondContact SG-O 2.59Å; C302-C313 CovalentContact SG-SG 2.04Å; C302-C313 PolarHBondContact SG-SG 3.28Å; C302-I314 HydrophobicContact CB-CG1 3.7Å; C302-T317 PolarHBondContact SG-OG1 3.38Å
303	C	95.4	Very high	90.1	Very high	24 Å²	24	65.8 Å²	65.8	16%	0.162	32%	0.319	C	S	.	.	H	α-helix	trans	-68	-15.5	-179.7	-72.4	0	0	0	0	113.9	C289 I299 K300	C289-C303 WeakPolarHBondContact CA-SG 3.42Å; C289-C303 HydrophobicContact CB-CB 3.73Å; C289-C303 WeakPolarHBondContact CB-SG 3.07Å; C289-C303 WeakPolarHBondContact SG-CA 3.35Å; C289-C303 WeakPolarHBondContact SG-CB 3.33Å; C289-C303 CovalentContact SG-SG 2.05Å; C289-C303 PolarHBondContact SG-SG 2.91Å; I299-C303 PolarHBondContact O-N 2.87Å; K300-C303 PolarHBondContact O-N 3.39Å
304	E	93.4	Very high	90.2	Very high	158 Å²	158	60.7 Å²	60.7	74%	0.738	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-16.2	171.9	-63.3	178.2	172.9	0	0	113.1	K300 E301 C302	K300-E304 PolarHBondContact O-N 3.2Å; E301-E304 PolarHBondContact O-N 2.94Å; C302-E304 PolarHBondContact O-N 2.84Å
305	K	91.6	Very high	90.3	Very high	87 Å²	87	56.6 Å²	56.6	38%	0.378	28%	0.276	S	S	.	.	S	Bend	trans	-74.5	160.6	178.9	-66.9	176.9	175.2	-70	0	112.3	C302 E309 R310 C313	C302-K305 WeakPolarHBondContact O-CB 3.39Å; C302-K305 PolarHBondContact O-N 3.39Å; K305-E309 HydrophobicContact CB-CB 4.36Å; K305-E309 HydrophobicContact CD-CB 4.32Å; K305-E309 IonicContact NZ-OE2 3.7Å; K305-R310 HydrophobicContact CB-CB 4.09Å; K305-C313 HydrophobicContact CD-CB 3.79Å
306	K	87.8	Confident	90.1	Very high	176 Å²	176	58.7 Å²	58.7	77%	0.765	29%	0.288	S	S	*	.	P	Polyproline II helix	trans	-93.8	169.2	176.2	-66	-179	-179.6	175.3	0	111.5	E309 R310	K306-E309 PolarHBondContact O-N 2.92Å; K306-E309 VanDerWaalsContact O-N 3.07Å; K306-R310 PolarHBondContact O-N 3.42Å
307	M	83.3	Confident	90.1	Very high	41 Å²	41	59.6 Å²	59.6	20%	0.202	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	144.6	170.2	-77.8	179.7	-70.7	0	0	111.3	T35 F38 S282	T35-M307 VanDerWaalsContact CA-CE 3.43Å; T35-M307 HydrophobicContact CG2-CE 4.38Å; T35-M307 HydrophobicContact CG2-SD 4.43Å; T35-M307 WeakPolarHBondContact OG1-CE 3.14Å; F38-M307 HydrophobicContact CB-CE 4.21Å; F38-M307 HydrophobicContact CD2-CB 4.08Å; F38-M307 HydrophobicContact CE2-CB 4.18Å; F38-M307 HydrophobicContact CG-CB 4.25Å; F38-M307 HydrophobicContact CZ-CB 4.43Å; S282-M307 PolarHBondContact OG-SD 3.48Å; S282-M307 VanDerWaalsContact OG-SD 3.37Å
308	P	78	Confident	89.8	Confident	29 Å²	29	58.7 Å²	58.7	19%	0.188	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	cis	-84.5	-10.8	-2.9	34.1	-33.7	0	0	0	114.2	F38 L179 R310 G311	F38-P308 HydrophobicContact CZ-CB 4.32Å; F38-P308 HydrophobicContact CZ-CG 4.31Å; L179-P308 HydrophobicContact CB-CG 4.43Å; P308-R310 VanDerWaalsContact C-N 3.29Å; P308-R310 PolarHBondContact O-N 3.21Å; P308-R310 VanDerWaalsContact O-N 3.14Å; P308-G311 PolarHBondContact O-N 2.81Å; P308-G311 VanDerWaalsContact O-N 3.14Å
309	E	86.6	Confident	89.5	Confident	114 Å²	114	58.4 Å²	58.4	53%	0.533	28%	0.282	S	S	.	.	H	α-helix	trans	-54.4	-36	-172.9	-64.9	178.6	-156.9	0	0	115	K305 K306 G311 D312 C313	K305-E309 HydrophobicContact CB-CB 4.36Å; K305-E309 HydrophobicContact CD-CB 4.32Å; K305-E309 IonicContact NZ-OE2 3.7Å; K306-E309 PolarHBondContact O-N 2.92Å; K306-E309 VanDerWaalsContact O-N 3.07Å; E309-G311 VanDerWaalsContact C-N 3.33Å; E309-G311 PolarHBondContact O-N 2.59Å; E309-D312 PolarHBondContact O-N 2.8Å; E309-C313 VanDerWaalsContact O-CB 3.24Å; E309-C313 WeakPolarHBondContact O-CB 3.31Å; E309-C313 PolarHBondContact O-N 3.09Å
310	R	90.3	Very high	89.3	Confident	32 Å²	32	58.6 Å²	58.6	12%	0.121	28%	0.282	C	S	.	.	H	α-helix	trans	-55.9	-47.6	178.6	175	174.4	68	166.1	7.7	112.2	S282 N286 C302 K305 K306 P308 C313 I314	S282-R310 PolarHBondContact OG-NH2 3.37Å; N286-R310 PolarHBondContact OD1-NH1 2.8Å; N286-R310 PolarHBondContact OD1-NH2 2.93Å; C302-R310 WeakPolarHBondContact O-CG 3.47Å; K305-R310 HydrophobicContact CB-CB 4.09Å; K306-R310 PolarHBondContact O-N 3.42Å; P308-R310 VanDerWaalsContact C-N 3.29Å; P308-R310 PolarHBondContact O-N 3.21Å; P308-R310 VanDerWaalsContact O-N 3.14Å; R310-C313 PolarHBondContact O-N 3.45Å; R310-I314 HydrophobicContact CG-CD1 4.02Å; R310-I314 WeakPolarHBondContact O-CG1 3.35Å; R310-I314 PolarHBondContact O-N 3.02Å
311	G	88.1	Confident	88.9	Confident	4 Å²	4	59 Å²	59	4%	0.041	29%	0.29	C	S	.	.	H	α-helix	trans	-66.2	-44.8	-178.3	0	0	0	0	0	111.2	P308 E309 C313 I314 I315	P308-G311 PolarHBondContact O-N 2.81Å; P308-G311 VanDerWaalsContact O-N 3.14Å; E309-G311 VanDerWaalsContact C-N 3.33Å; E309-G311 PolarHBondContact O-N 2.59Å; G311-C313 PolarHBondContact O-N 2.76Å; G311-I314 PolarHBondContact O-N 3.48Å; G311-I315 WeakPolarHBondContact O-CB 3.4Å; G311-I315 WeakPolarHBondContact O-CD1 3.48Å; G311-I315 VanDerWaalsContact O-CG1 3.24Å; G311-I315 WeakPolarHBondContact O-CG1 3.49Å; G311-I315 PolarHBondContact O-N 2.95Å
312	D	86.9	Confident	88.6	Confident	29 Å²	29	55.4 Å²	55.4	16%	0.155	27%	0.271	C	S	.	.	H	α-helix	trans	-59.9	-45.3	176.2	-172.4	64.4	0	0	0	112.2	T180 Y212 E309 I314 I315 N316	T180-D312 HydrophobicContact CG2-CB 4.48Å; Y212-D312 WeakPolarHBondContact CE2-OD1 3.4Å; Y212-D312 PolarHBondContact OH-OD1 3.32Å; E309-D312 PolarHBondContact O-N 2.8Å; D312-I314 PolarHBondContact O-N 3.45Å; D312-I315 PolarHBondContact O-N 3.5Å; D312-N316 WeakPolarHBondContact O-CB 3.44Å; D312-N316 PolarHBondContact O-N 3.45Å; D312-N316 PolarHBondContact O-ND2 3.42Å; D312-N316 VanDerWaalsContact O-ND2 3.09Å; D312-N316 PolarHBondContact OD1-ND2 3.48Å; D312-N316 PolarHBondContact OD2-ND2 2.96Å
313	C	92.6	Very high	88.3	Confident	29 Å²	29	56.1 Å²	56.1	20%	0.196	28%	0.276	C	S	.	.	H	α-helix	trans	-58.8	-48.5	176.4	-172.6	0	0	0	0	111.7	C302 K305 E309 R310 G311 I315 N316 T317	C302-C313 WeakPolarHBondContact CA-SG 3.08Å; C302-C313 HydrophobicContact CB-CB 3.58Å; C302-C313 WeakPolarHBondContact CB-SG 3.22Å; C302-C313 WeakPolarHBondContact SG-CB 3.04Å; C302-C313 PolarHBondContact SG-O 2.59Å; C302-C313 CovalentContact SG-SG 2.04Å; C302-C313 PolarHBondContact SG-SG 3.28Å; K305-C313 HydrophobicContact CD-CB 3.79Å; E309-C313 VanDerWaalsContact O-CB 3.24Å; E309-C313 WeakPolarHBondContact O-CB 3.31Å; E309-C313 PolarHBondContact O-N 3.09Å; R310-C313 PolarHBondContact O-N 3.45Å; G311-C313 PolarHBondContact O-N 2.76Å; C313-I315 PolarHBondContact O-N 3.26Å; C313-N316 PolarHBondContact O-N 2.96Å; C313-T317 WeakPolarHBondContact O-CB 3.47Å; C313-T317 PolarHBondContact O-N 3.26Å; C313-T317 PolarHBondContact O-OG1 2.99Å
314	I	91.9	Very high	87.9	Confident	3 Å²	3	64.6 Å²	64.6	2%	0.015	31%	0.313	C	S	.	.	H	α-helix	trans	-61.2	-45.2	178.8	-68.4	167.5	0	0	0	110.6	K246 F247 M285 I288 C302 R310 G311 D312 T317	K246-I314 WeakPolarHBondContact CE-O 3.31Å; K246-I314 PolarHBondContact NZ-O 2.84Å; F247-I314 HydrophobicContact CZ-CG2 4.28Å; M285-I314 HydrophobicContact CB-CD1 4.24Å; M285-I314 HydrophobicContact CG-CD1 4.43Å; M285-I314 HydrophobicContact SD-CB 4.08Å; M285-I314 HydrophobicContact SD-CD1 3.75Å; M285-I314 HydrophobicContact SD-CG2 4.12Å; I288-I314 HydrophobicContact CD1-CG2 4.24Å; I288-I314 HydrophobicContact CG2-CD1 4.39Å; I288-I314 HydrophobicContact CG2-CG2 4.31Å; C302-I314 HydrophobicContact CB-CG1 3.7Å; R310-I314 HydrophobicContact CG-CD1 4.02Å; R310-I314 WeakPolarHBondContact O-CG1 3.35Å; R310-I314 PolarHBondContact O-N 3.02Å; G311-I314 PolarHBondContact O-N 3.48Å; D312-I314 PolarHBondContact O-N 3.45Å; I314-T317 PolarHBondContact O-N 2.81Å
315	I	88.3	Confident	87.6	Confident	72 Å²	72	63.8 Å²	63.8	37%	0.369	31%	0.314	S	S	.	.	H	α-helix	trans	-61.5	-46.5	179.7	-69.9	165.4	0	0	0	110.6	F11 K246 M285 G311 D312 C313 T317	F11-I315 WeakPolarHBondContact CE1-O 3.34Å; K246-I315 PolarHBondContact NZ-O 2.95Å; M285-I315 HydrophobicContact CE-CD1 4.03Å; M285-I315 HydrophobicContact CE-CG1 4.14Å; G311-I315 WeakPolarHBondContact O-CB 3.4Å; G311-I315 WeakPolarHBondContact O-CD1 3.48Å; G311-I315 VanDerWaalsContact O-CG1 3.24Å; G311-I315 WeakPolarHBondContact O-CG1 3.49Å; G311-I315 PolarHBondContact O-N 2.95Å; D312-I315 PolarHBondContact O-N 3.5Å; C313-I315 PolarHBondContact O-N 3.26Å; I315-T317 VanDerWaalsContact C-N 3.33Å; I315-T317 PolarHBondContact O-N 3.47Å
316	N	86.3	Confident	87.5	Confident	47 Å²	47	60.5 Å²	60.5	25%	0.251	30%	0.301	S	S	.	.	H	α-helix	trans	-84.2	-5.5	-176.7	-63.1	-39.2	0	0	0	114	D312 C313	D312-N316 WeakPolarHBondContact O-CB 3.44Å; D312-N316 PolarHBondContact O-N 3.45Å; D312-N316 PolarHBondContact O-ND2 3.42Å; D312-N316 VanDerWaalsContact O-ND2 3.09Å; D312-N316 PolarHBondContact OD1-ND2 3.48Å; D312-N316 PolarHBondContact OD2-ND2 2.96Å; C313-N316 PolarHBondContact O-N 2.96Å
317	T	90.6	Very high	87.6	Confident	19 Å²	19	55 Å²	55	12%	0.117	28%	0.284	C	S	.	.	S	Bend	trans	-65.8	140.6	174.5	-65.4	0	0	0	0	110.8	K246 K298 I299 C302 C313 I314 I315	K246-T317 PolarHBondContact NZ-O 3.26Å; K298-T317 HydrophobicContact CB-CG2 3.66Å; K298-T317 WeakPolarHBondContact O-CG2 3.31Å; I299-T317 HydrophobicContact CG2-CG2 4.02Å; C302-T317 PolarHBondContact SG-OG1 3.38Å; C313-T317 WeakPolarHBondContact O-CB 3.47Å; C313-T317 PolarHBondContact O-N 3.26Å; C313-T317 PolarHBondContact O-OG1 2.99Å; I314-T317 PolarHBondContact O-N 2.81Å; I315-T317 VanDerWaalsContact C-N 3.33Å; I315-T317 PolarHBondContact O-N 3.47Å
318	N	85.1	Confident	87.7	Confident	48 Å²	48	57.5 Å²	57.5	26%	0.257	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-54.1	149.6	177.2	-55.7	-22.1	0	0	0	112.9	F11 F12 K298 E320	F11-N318 PolarHBondContact O-OD1 2.98Å; F12-N318 HydrophobicContact CD1-CB 4.25Å; F12-N318 WeakPolarHBondContact CD1-ND2 3.08Å; F12-N318 WeakPolarHBondContact CD1-OD1 3.33Å; F12-N318 HydrophobicContact CD2-CB 4.25Å; F12-N318 WeakPolarHBondContact CD2-OD1 3.42Å; F12-N318 HydrophobicContact CE1-CB 3.59Å; F12-N318 WeakPolarHBondContact CE1-ND2 3.38Å; F12-N318 WeakPolarHBondContact CE1-OD1 3.49Å; F12-N318 HydrophobicContact CE2-CB 3.53Å; F12-N318 VanDerWaalsContact CE2-OD1 3.25Å; F12-N318 WeakPolarHBondContact CE2-OD1 3.03Å; F12-N318 WeakPolarHBondContact CG-OD1 3.32Å; F12-N318 HydrophobicContact CZ-CB 3.17Å; F12-N318 WeakPolarHBondContact CZ-OD1 3.44Å; K298-N318 HydrophobicContact CD-CB 4.29Å; N318-E320 PolarHBondContact O-N 3.1Å
319	K	87.7	Confident	88.3	Confident	58 Å²	58	58.7 Å²	58.7	25%	0.252	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-55.5	138.9	171.9	-57.1	171.8	-170	165	0	109.8	K298 N363 E466	K298-K319 PolarHBondContact NZ-O 3.05Å; K319-N363 PolarHBondContact NZ-O 2.84Å; K319-E466 IonicContact NZ-OE2 3.66Å; K319-E466 PolarHBondContact NZ-OE2 3.44Å
320	E	88.5	Confident	88.6	Confident	4 Å²	4	56 Å²	56	2%	0.019	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-66.3	147.3	168.7	-175.7	78	-148	0	0	109.4	K246 P248 K249 S296 S297 N318	K246-E320 PolarHBondContact O-N 3.38Å; P248-E320 HydrophobicContact CG-CB 4.22Å; K249-E320 HydrophobicContact CD-CG 3.99Å; K249-E320 HydrophobicContact CG-CG 4.48Å; K249-E320 IonicContact NZ-OE1 3.56Å; K249-E320 PolarHBondContact NZ-OE1 3.12Å; S296-E320 VanDerWaalsContact CA-OE2 3.25Å; S296-E320 WeakPolarHBondContact CA-OE2 3.27Å; S296-E320 WeakPolarHBondContact CB-OE2 3.26Å; S296-E320 PolarHBondContact OG-OE2 3.46Å; S297-E320 PolarHBondContact N-OE2 3.02Å; S297-E320 PolarHBondContact OG-OE1 3.49Å; S297-E320 PolarHBondContact OG-OE2 3.43Å; N318-E320 PolarHBondContact O-N 3.1Å
321	D	86.9	Confident	88.7	Confident	105 Å²	105	57.2 Å²	57.2	56%	0.561	30%	0.303	S	S	*	.	P	Polyproline II helix	trans	-68	142.5	179.3	-54	-28.6	0	0	0	109.4	K298 P323	K298-D321 IonicContact NZ-OD1 3.54Å; K298-D321 PolarHBondContact NZ-OD1 2.79Å; K298-D321 IonicContact NZ-OD2 2.77Å; D321-P323 WeakPolarHBondContact O-CD 3.32Å
322	K	87.6	Confident	89	Confident	81 Å²	81	59.6 Å²	59.6	35%	0.352	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-58.1	127.4	177.1	-172.7	-173.2	70.6	165.6	0	108.8	E324 L326	K322-E324 PolarHBondContact O-N 3.3Å; K322-L326 HydrophobicContact CG-CB 4.49Å; K322-L326 HydrophobicContact CG-CD1 4.35Å
323	P	88.1	Confident	89.4	Confident	19 Å²	19	58.5 Å²	58.5	12%	0.123	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-53.8	136.4	174	-23.2	28.8	0	0	0	112.1	K249 D321 D325 L326	K249-P323 HydrophobicContact CG-CG 3.73Å; D321-P323 WeakPolarHBondContact O-CD 3.32Å; P323-D325 WeakPolarHBondContact CB-OD1 3.48Å; P323-D325 PolarHBondContact O-N 3.5Å; P323-L326 HydrophobicContact CB-CD1 4.14Å; P323-L326 HydrophobicContact CB-CG 3.99Å; P323-L326 HydrophobicContact CG-CD1 3.79Å; P323-L326 HydrophobicContact CG-CG 4.19Å; P323-L326 PolarHBondContact O-N 2.88Å
324	E	85.3	Confident	89.4	Confident	201 Å²	201	57.3 Å²	57.3	94%	0.939	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-27.1	-175.8	-65.9	-175.6	171.6	0	0	112.9	K322 L326	K322-E324 PolarHBondContact O-N 3.3Å; E324-L326 VanDerWaalsContact C-N 3.33Å
325	D	87.5	Confident	89.4	Confident	141 Å²	141	60.5 Å²	60.5	75%	0.754	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-9.1	179.7	62.9	-37	0	0	0	113.6	P323 S327	P323-D325 WeakPolarHBondContact CB-OD1 3.48Å; P323-D325 PolarHBondContact O-N 3.5Å; D325-S327 PolarHBondContact O-N 3.05Å
326	L	90.4	Very high	89.6	Confident	19 Å²	19	58.5 Å²	58.5	10%	0.099	31%	0.308	C	S	.	.			trans	-77.2	107.8	175.2	-72	-179	0	0	0	111.5	K322 P323 E324 R360	K322-L326 HydrophobicContact CG-CB 4.49Å; K322-L326 HydrophobicContact CG-CD1 4.35Å; P323-L326 HydrophobicContact CB-CD1 4.14Å; P323-L326 HydrophobicContact CB-CG 3.99Å; P323-L326 HydrophobicContact CG-CD1 3.79Å; P323-L326 HydrophobicContact CG-CG 4.19Å; P323-L326 PolarHBondContact O-N 2.88Å; E324-L326 VanDerWaalsContact C-N 3.33Å; L326-R360 HydrophobicContact CD1-CG 4.18Å
327	S	90.5	Very high	90	Very high	61 Å²	61	64.6 Å²	64.6	43%	0.427	33%	0.332	S	S	.	.			trans	-48.7	142.7	165	167.6	0	0	0	0	111	D325 R329 R361	D325-S327 PolarHBondContact O-N 3.05Å; S327-R329 WeakPolarHBondContact CB-O 3.43Å; S327-R329 PolarHBondContact O-N 3.45Å; S327-R329 PolarHBondContact OG-N 2.89Å; S327-R329 PolarHBondContact OG-O 3.45Å; S327-R361 WeakPolarHBondContact O-CD 3.25Å; S327-R361 WeakPolarHBondContact O-CG 3.24Å; S327-R361 PolarHBondContact O-NE 2.92Å
328	P	85.3	Confident	90	Very high	92 Å²	92	67.4 Å²	67.4	60%	0.597	35%	0.346	S	S	*	.	S	Bend	trans	-58.6	-28.4	174.1	-23.4	33.8	0	0	0	114	R361 H362	P328-R361 WeakPolarHBondContact O-CD 3.36Å; P328-H362 PolarHBondContact O-CE1 3.36Å
329	R	89.2	Confident	90.5	Very high	55 Å²	55	65.1 Å²	65.1	21%	0.208	33%	0.334	C	S	.	.	S	Bend	trans	-114.9	150.6	180	-179.4	-176.8	-145.6	-151.8	22	111.3	S327 T334 D335 R395 E398	S327-R329 WeakPolarHBondContact CB-O 3.43Å; S327-R329 PolarHBondContact O-N 3.45Å; S327-R329 PolarHBondContact OG-N 2.89Å; S327-R329 PolarHBondContact OG-O 3.45Å; R329-T334 VanDerWaalsContact CZ-CB 3.45Å; R329-T334 PolarHBondContact NE-OG1 3.08Å; R329-T334 PolarHBondContact NH1-OG1 2.95Å; R329-T334 VanDerWaalsContact NH1-OG1 3.11Å; R329-T334 PolarHBondContact NH2-OG1 2.96Å; R329-D335 IonicContact CZ-OD2 2.76Å; R329-D335 IonicContact NH1-OD1 3.35Å; R329-D335 PolarHBondContact NH1-OD1 2.97Å; R329-D335 IonicContact NH1-OD2 2.67Å; R329-D335 PolarHBondContact NH1-OD2 3.42Å; R329-R395 PolarHBondContact NH2-O 3.33Å; R329-E398 WeakPolarHBondContact CB-OE1 3.28Å; R329-E398 WeakPolarHBondContact CD-OE1 3.34Å; R329-E398 WeakPolarHBondContact CG-OE1 3.3Å; R329-E398 IonicContact CZ-OE1 2.88Å; R329-E398 IonicContact CZ-OE2 3.59Å; R329-E398 IonicContact NE-OE1 2.72Å; R329-E398 PolarHBondContact NE-OE1 3.48Å; R329-E398 IonicContact NE-OE2 3.35Å; R329-E398 PolarHBondContact NE-OE2 2.95Å; R329-E398 IonicContact NH2-OE2 3.34Å; R329-E398 PolarHBondContact NH2-OE2 2.82Å
330	E	93	Very high	90.8	Very high	56 Å²	56	63.2 Å²	63.2	26%	0.262	33%	0.328	S	S	.	.			trans	-107.6	101.6	165.5	-178.9	46.8	-110.6	0	0	110.6	K332 F333 E357 R361	E330-K332 HydrophobicContact CG-CB 4.05Å; E330-K332 PolarHBondContact O-N 2.96Å; E330-K332 VanDerWaalsContact O-N 3.09Å; E330-K332 WeakPolarHBondContact OE1-CB 3.29Å; E330-K332 PolarHBondContact OE1-N 2.85Å; E330-F333 HydrophobicContact CB-CD2 3.78Å; E330-F333 HydrophobicContact CB-CE2 3.94Å; E330-F333 HydrophobicContact CG-CD2 3.55Å; E330-F333 HydrophobicContact CG-CE2 3.41Å; E330-F333 VanDerWaalsContact CG-CE2 3.41Å; E330-F333 PolarHBondContact O-N 2.92Å; E330-E357 HydrophobicContact CB-CB 4.36Å; E330-E357 HydrophobicContact CG-CB 4.32Å; E330-E357 HydrophobicContact CG-CG 4.27Å; E330-R361 IonicContact OE2-CZ 2.62Å; E330-R361 IonicContact OE2-NH2 2.93Å; E330-R361 PolarHBondContact OE2-NH2 3.23Å
331	P	92.8	Very high	91.1	Very high	58 Å²	58	68.8 Å²	68.8	38%	0.377	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-57.6	-23.5	-176.3	-27	35.9	0	0	0	114.5	F333 T334 D335 S336	P331-F333 PolarHBondContact O-N 2.9Å; P331-F333 VanDerWaalsContact O-N 3.15Å; P331-T334 PolarHBondContact O-N 2.97Å; P331-D335 HydrophobicContact CB-CB 4.29Å; P331-D335 WeakPolarHBondContact O-CB 3.42Å; P331-D335 PolarHBondContact O-N 3.45Å; P331-S336 PolarHBondContact O-N 2.84Å
332	K	94.4	Very high	91.4	Very high	55 Å²	55	66.7 Å²	66.7	24%	0.239	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-51.4	-38	177.1	178	178.1	168.8	176.8	0	112.6	E330 S336 V339 E342 E353	E330-K332 HydrophobicContact CG-CB 4.05Å; E330-K332 PolarHBondContact O-N 2.96Å; E330-K332 VanDerWaalsContact O-N 3.09Å; E330-K332 WeakPolarHBondContact OE1-CB 3.29Å; E330-K332 PolarHBondContact OE1-N 2.85Å; K332-S336 WeakPolarHBondContact O-CB 3.14Å; K332-V339 WeakPolarHBondContact O-CG2 3.46Å; K332-E342 WeakPolarHBondContact CE-OE2 3.31Å; K332-E342 IonicContact NZ-OE2 2.66Å; K332-E342 PolarHBondContact NZ-OE2 2.71Å; K332-E353 IonicContact NZ-OE1 3.95Å; K332-E353 PolarHBondContact NZ-OE1 3.49Å; K332-E353 IonicContact NZ-OE2 3.9Å; K332-E353 PolarHBondContact NZ-OE2 3.15Å
333	F	95.4	Very high	91.6	Very high	5 Å²	5	63.9 Å²	63.9	2%	0.022	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-88.9	-2.2	-172.4	-57.1	-67.4	0	0	0	114.7	E330 P331 L350 E353 F354 E357 Y377	E330-F333 HydrophobicContact CB-CD2 3.78Å; E330-F333 HydrophobicContact CB-CE2 3.94Å; E330-F333 HydrophobicContact CG-CD2 3.55Å; E330-F333 HydrophobicContact CG-CE2 3.41Å; E330-F333 VanDerWaalsContact CG-CE2 3.41Å; E330-F333 PolarHBondContact O-N 2.92Å; P331-F333 PolarHBondContact O-N 2.9Å; P331-F333 VanDerWaalsContact O-N 3.15Å; F333-L350 HydrophobicContact CD1-CD1 4.09Å; F333-L350 HydrophobicContact CE1-CD1 3.92Å; F333-E353 HydrophobicContact CZ-CB 4.34Å; F333-E353 HydrophobicContact CZ-CG 4.13Å; F333-F354 HydrophobicContact CB-CD2 3.95Å; F333-F354 HydrophobicContact CB-CE2 4.36Å; F333-F354 HydrophobicContact CD1-CB 4.03Å; F333-F354 AromaticContact CD1-CD2 3.95Å; F333-F354 HydrophobicContact CD1-CD2 3.95Å; F333-F354 HydrophobicContact CD1-CG 4.49Å; F333-F354 AromaticContact CD2-CD2 3.83Å; F333-F354 HydrophobicContact CD2-CD2 3.83Å; F333-F354 HydrophobicContact CE1-CB 3.78Å; F333-F354 HydrophobicContact CE1-CD2 4.43Å; F333-F354 HydrophobicContact CE2-CB 4.49Å; F333-F354 HydrophobicContact CE2-CD2 4.32Å; F333-F354 HydrophobicContact CG-CB 4.49Å; F333-F354 AromaticContact CG-CD2 3.64Å; F333-F354 HydrophobicContact CG-CD2 3.64Å; F333-F354 HydrophobicContact CG-CE2 4.45Å; F333-F354 VanDerWaalsContact CZ-CA 3.44Å; F333-F354 HydrophobicContact CZ-CB 4.05Å; F333-E357 HydrophobicContact CE2-CB 3.72Å; F333-E357 HydrophobicContact CE2-CG 3.86Å; F333-E357 HydrophobicContact CZ-CB 4.35Å; F333-E357 HydrophobicContact CZ-CG 4.16Å; F333-Y377 HydrophobicContact CB-CE1 4.49Å; F333-Y377 HydrophobicContact CB-CE2 4.47Å; F333-Y377 WeakPolarHBondContact CB-OH 3Å; F333-Y377 HydrophobicContact CD1-CE1 4.29Å; F333-Y377 WeakPolarHBondContact O-CE2 3.45Å; F333-Y377 PolarHBondContact O-OH 2.57Å
334	T	92.4	Very high	91.9	Very high	5 Å²	5	69.4 Å²	69.4	3%	0.031	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-139.2	-34.1	-171.4	47.3	0	0	0	0	113.3	R329 P331 R395 A397	R329-T334 VanDerWaalsContact CZ-CB 3.45Å; R329-T334 PolarHBondContact NE-OG1 3.08Å; R329-T334 PolarHBondContact NH1-OG1 2.95Å; R329-T334 VanDerWaalsContact NH1-OG1 3.11Å; R329-T334 PolarHBondContact NH2-OG1 2.96Å; P331-T334 PolarHBondContact O-N 2.97Å; T334-R395 WeakPolarHBondContact O-CA 3.24Å; T334-A397 HydrophobicContact CG2-CB 3.97Å
335	D	92.8	Very high	92.3	Very high	69 Å²	69	64.8 Å²	64.8	37%	0.369	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.8	-19.8	-175.9	-59.3	-40.4	0	0	0	112.7	R329 P331 R395	R329-D335 IonicContact CZ-OD2 2.76Å; R329-D335 IonicContact NH1-OD1 3.35Å; R329-D335 PolarHBondContact NH1-OD1 2.97Å; R329-D335 IonicContact NH1-OD2 2.67Å; R329-D335 PolarHBondContact NH1-OD2 3.42Å; P331-D335 HydrophobicContact CB-CB 4.29Å; P331-D335 WeakPolarHBondContact O-CB 3.42Å; P331-D335 PolarHBondContact O-N 3.45Å; D335-R395 IonicContact OD1-NE 2.65Å
336	S	92.8	Very high	92.6	Very high	30 Å²	30	62.5 Å²	62.5	21%	0.21	34%	0.335	C	S	.	.			trans	-64.8	137.1	175.9	-179.8	0	0	0	0	110.7	P331 K332 N338 V339 Y394	P331-S336 PolarHBondContact O-N 2.84Å; K332-S336 WeakPolarHBondContact O-CB 3.14Å; S336-N338 PolarHBondContact O-N 2.82Å; S336-N338 PolarHBondContact OG-N 2.62Å; S336-V339 WeakPolarHBondContact O-CG2 3.33Å; S336-Y394 WeakPolarHBondContact O-CE2 3.36Å; S336-Y394 PolarHBondContact O-OH 3.48Å
337	K	92.7	Very high	92.8	Very high	176 Å²	176	63.6 Å²	63.6	77%	0.765	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-10.8	174.3	-65	-176.2	179.7	-179	0	113.3
338	N	92.6	Very high	92.9	Very high	77 Å²	77	64.1 Å²	64.1	41%	0.412	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	1	-170.8	-60	-15.2	0	0	0	113.2	S336 C340 Q341 E342	S336-N338 PolarHBondContact O-N 2.82Å; S336-N338 PolarHBondContact OG-N 2.62Å; N338-C340 VanDerWaalsContact C-N 3.31Å; N338-C340 PolarHBondContact O-N 2.86Å; N338-Q341 WeakPolarHBondContact O-CA 3.48Å; N338-Q341 WeakPolarHBondContact O-CB 3.38Å; N338-Q341 PolarHBondContact O-N 3.35Å; N338-E342 PolarHBondContact O-N 2.76Å
339	V	94.9	Very high	93.3	Very high	1 Å²	1	60.7 Å²	60.7	1%	0.006	32%	0.32	C	S	.	.	H	α-helix	trans	-54.5	-45.2	-174.5	179.7	0	0	0	0	112.2	K332 S336 Q341 E342 Q343 L350 Y377 L381 Y394	K332-V339 WeakPolarHBondContact O-CG2 3.46Å; S336-V339 WeakPolarHBondContact O-CG2 3.33Å; V339-Q341 VanDerWaalsContact C-N 3.33Å; V339-Q341 PolarHBondContact O-N 3.48Å; V339-E342 PolarHBondContact O-N 2.93Å; V339-Q343 WeakPolarHBondContact O-CB 3.23Å; V339-Q343 PolarHBondContact O-N 2.62Å; V339-L350 HydrophobicContact CG1-CD2 4.3Å; V339-Y377 VanDerWaalsContact CG1-OH 3.27Å; V339-Y377 WeakPolarHBondContact CG1-OH 3.34Å; V339-L381 HydrophobicContact CG1-CD1 3.93Å; V339-L381 HydrophobicContact CG1-CD2 3.52Å; V339-L381 HydrophobicContact CG1-CG 4.39Å; V339-Y394 HydrophobicContact CB-CE1 4.14Å; V339-Y394 HydrophobicContact CB-CE2 4.23Å; V339-Y394 HydrophobicContact CG2-CE2 3.98Å
340	C	94.6	Very high	93.6	Very high	18 Å²	18	58.3 Å²	58.3	12%	0.122	31%	0.312	C	S	.	.	H	α-helix	trans	-65.9	-33.9	177.5	-58.8	0	0	0	0	113.1	N338 Q343 D344 C385 P390	N338-C340 VanDerWaalsContact C-N 3.31Å; N338-C340 PolarHBondContact O-N 2.86Å; C340-Q343 WeakPolarHBondContact O-CB 3.29Å; C340-Q343 PolarHBondContact O-N 2.8Å; C340-D344 WeakPolarHBondContact O-CB 3.32Å; C340-D344 VanDerWaalsContact O-CG 3.24Å; C340-D344 PolarHBondContact O-N 3.19Å; C340-C385 WeakPolarHBondContact CA-SG 3.34Å; C340-C385 HydrophobicContact CB-CB 3.7Å; C340-C385 WeakPolarHBondContact CB-SG 3.33Å; C340-C385 WeakPolarHBondContact SG-CA 3.43Å; C340-C385 WeakPolarHBondContact SG-CB 3.36Å; C340-C385 CovalentContact SG-SG 2.04Å; C340-C385 PolarHBondContact SG-SG 2.99Å; C340-P390 WeakPolarHBondContact SG-CB 3.07Å
341	Q	94.3	Very high	93.8	Very high	120 Å²	120	56.4 Å²	56.4	56%	0.561	30%	0.303	S	S	*	.	H	α-helix	trans	-69.1	-39.2	176.1	-63.8	175.7	-13.9	0	0	111.1	N338 V339 S345	N338-Q341 WeakPolarHBondContact O-CA 3.48Å; N338-Q341 WeakPolarHBondContact O-CB 3.38Å; N338-Q341 PolarHBondContact O-N 3.35Å; V339-Q341 VanDerWaalsContact C-N 3.33Å; V339-Q341 PolarHBondContact O-N 3.48Å; Q341-S345 WeakPolarHBondContact O-CB 3.49Å; Q341-S345 PolarHBondContact O-N 2.66Å; Q341-S345 PolarHBondContact O-OG 2.85Å
342	E	92.6	Very high	94	Very high	61 Å²	61	55.3 Å²	55.3	29%	0.285	29%	0.294	S	S	.	.	H	α-helix	trans	-66.2	-40.4	174.3	-69.2	-177.4	-145.4	0	0	111.1	K332 N338 V339 S345 N346 L350	K332-E342 WeakPolarHBondContact CE-OE2 3.31Å; K332-E342 IonicContact NZ-OE2 2.66Å; K332-E342 PolarHBondContact NZ-OE2 2.71Å; N338-E342 PolarHBondContact O-N 2.76Å; V339-E342 PolarHBondContact O-N 2.93Å; E342-S345 PolarHBondContact O-N 3.48Å; E342-N346 CarbonylContact O-C 3.19Å; E342-N346 PolarHBondContact O-N 2.86Å; E342-L350 HydrophobicContact CB-CD1 4.24Å; E342-L350 HydrophobicContact CB-CD2 4.42Å
343	Q	92.6	Very high	94.1	Very high	22 Å²	22	54.9 Å²	54.9	10%	0.103	29%	0.293	C	S	.	.	H	α-helix	trans	-58.7	-52.4	173	173.1	-178.7	10.2	0	0	111.8	V339 C340 S345 N346 L347 L350 C385	V339-Q343 WeakPolarHBondContact O-CB 3.23Å; V339-Q343 PolarHBondContact O-N 2.62Å; C340-Q343 WeakPolarHBondContact O-CB 3.29Å; C340-Q343 PolarHBondContact O-N 2.8Å; Q343-S345 PolarHBondContact O-N 3.38Å; Q343-N346 PolarHBondContact O-N 3.37Å; Q343-L347 HydrophobicContact CG-CD1 3.94Å; Q343-L347 PolarHBondContact O-N 3.09Å; Q343-L350 HydrophobicContact CB-CD2 3.96Å; Q343-C385 PolarHBondContact OE1-SG 3.26Å
344	D	92.8	Very high	94.2	Very high	136 Å²	136	54.8 Å²	54.8	73%	0.727	29%	0.293	S	S	*	.	H	α-helix	trans	-61.6	-32.1	-179.7	-73.2	-19.9	0	0	0	111.8	C340	C340-D344 WeakPolarHBondContact O-CB 3.32Å; C340-D344 VanDerWaalsContact O-CG 3.24Å; C340-D344 PolarHBondContact O-N 3.19Å
345	S	94.8	Very high	94.5	Very high	104 Å²	104	54.6 Å²	54.6	73%	0.727	29%	0.291	S	S	*	.	H	α-helix	trans	-78.9	-46.3	-179.3	-59.2	0	0	0	0	112.6	Q341 E342 Q343	Q341-S345 WeakPolarHBondContact O-CB 3.49Å; Q341-S345 PolarHBondContact O-N 2.66Å; Q341-S345 PolarHBondContact O-OG 2.85Å; E342-S345 PolarHBondContact O-N 3.48Å; Q343-S345 PolarHBondContact O-N 3.38Å
346	N	94.6	Very high	94.8	Very high	92 Å²	92	51.5 Å²	51.5	49%	0.492	28%	0.275	S	S	.	.	H	α-helix	trans	-161.8	78.7	-176.7	-175.2	8.2	0	0	0	111.7	E342 Q343 D348 G349 L350	E342-N346 CarbonylContact O-C 3.19Å; E342-N346 PolarHBondContact O-N 2.86Å; Q343-N346 PolarHBondContact O-N 3.37Å; N346-D348 VanDerWaalsContact C-N 3.32Å; N346-D348 PolarHBondContact O-N 2.88Å; N346-G349 PolarHBondContact O-N 2.84Å; N346-G349 PolarHBondContact OD1-N 3.17Å; N346-L350 PolarHBondContact O-N 2.83Å
347	L	93.6	Very high	95	Very high	42 Å²	42	51.1 Å²	51.1	22%	0.22	27%	0.27	C	S	.	.	H	α-helix	trans	-53.3	-46.2	176	176	64.9	0	0	0	112.5	Q343 G349 L350 L351 K378	Q343-L347 HydrophobicContact CG-CD1 3.94Å; Q343-L347 PolarHBondContact O-N 3.09Å; L347-G349 VanDerWaalsContact C-N 3.33Å; L347-G349 PolarHBondContact O-N 3.04Å; L347-L350 PolarHBondContact O-N 3.44Å; L347-L351 HydrophobicContact CD1-CD1 3.8Å; L347-L351 HydrophobicContact CD1-CD2 4.2Å; L347-L351 HydrophobicContact CD1-CG 3.78Å; L347-L351 HydrophobicContact CG-CD1 3.9Å; L347-L351 HydrophobicContact CG-CG 4.23Å; L347-L351 WeakPolarHBondContact O-CG 3.35Å; L347-L351 PolarHBondContact O-N 3.24Å; L347-K378 HydrophobicContact CD1-CG 4.45Å; L347-K378 HydrophobicContact CD2-CG 4.43Å
348	D	92.2	Very high	95.2	Very high	72 Å²	72	44.1 Å²	44.1	39%	0.385	24%	0.239	S	C	.	.	H	α-helix	trans	-60.6	-43	-179.1	-71.8	-25.6	0	0	0	111.4	K233 N346 N352	K233-D348 WeakPolarHBondContact CE-OD2 3.49Å; K233-D348 IonicContact NZ-OD1 2.86Å; K233-D348 PolarHBondContact NZ-OD1 3.07Å; K233-D348 IonicContact NZ-OD2 3.57Å; K233-D348 PolarHBondContact NZ-OD2 2.95Å; N346-D348 VanDerWaalsContact C-N 3.32Å; N346-D348 PolarHBondContact O-N 2.88Å; D348-N352 WeakPolarHBondContact O-CB 3.48Å; D348-N352 VanDerWaalsContact O-CG 3.23Å; D348-N352 PolarHBondContact O-N 3.03Å; D348-N352 PolarHBondContact O-ND2 2.97Å
349	G	94	Very high	95.4	Very high	20 Å²	20	40.5 Å²	40.5	21%	0.206	22%	0.219	C	C	.	.	H	α-helix	trans	-63.3	-44.6	176.1	0	0	0	0	0	112.5	N346 L347 N352 E353	N346-G349 PolarHBondContact O-N 2.84Å; N346-G349 PolarHBondContact OD1-N 3.17Å; L347-G349 VanDerWaalsContact C-N 3.33Å; L347-G349 PolarHBondContact O-N 3.04Å; G349-N352 PolarHBondContact O-N 3.48Å; G349-E353 PolarHBondContact O-N 3.48Å
350	L	95.9	Very high	95.5	Very high	6 Å²	6	42.2 Å²	42.2	3%	0.031	23%	0.225	C	C	.	.	H	α-helix	trans	-60.7	-46.1	177.2	178.3	65.9	0	0	0	111.7	F333 V339 E342 Q343 N346 L347 E353 F354 L381	F333-L350 HydrophobicContact CD1-CD1 4.09Å; F333-L350 HydrophobicContact CE1-CD1 3.92Å; V339-L350 HydrophobicContact CG1-CD2 4.3Å; E342-L350 HydrophobicContact CB-CD1 4.24Å; E342-L350 HydrophobicContact CB-CD2 4.42Å; Q343-L350 HydrophobicContact CB-CD2 3.96Å; N346-L350 PolarHBondContact O-N 2.83Å; L347-L350 PolarHBondContact O-N 3.44Å; L350-E353 PolarHBondContact O-N 3.16Å; L350-F354 WeakPolarHBondContact O-CB 3.19Å; L350-F354 PolarHBondContact O-N 3.3Å; L350-L381 HydrophobicContact CD2-CD1 3.75Å
351	L	97.1	Very high	95.5	Very high	15 Å²	15	42 Å²	42	8%	0.079	22%	0.222	C	C	.	.	H	α-helix	trans	-69.2	-35.7	179.9	-66.2	179.7	0	0	0	112.6	L347 F354 T355 T374 Y377 K378	L347-L351 HydrophobicContact CD1-CD1 3.8Å; L347-L351 HydrophobicContact CD1-CD2 4.2Å; L347-L351 HydrophobicContact CD1-CG 3.78Å; L347-L351 HydrophobicContact CG-CD1 3.9Å; L347-L351 HydrophobicContact CG-CG 4.23Å; L347-L351 WeakPolarHBondContact O-CG 3.35Å; L347-L351 PolarHBondContact O-N 3.24Å; L351-F354 PolarHBondContact O-N 2.04Å; L351-T355 WeakPolarHBondContact O-CB 3.4Å; L351-T355 PolarHBondContact O-N 3Å; L351-T355 PolarHBondContact O-OG1 3.37Å; L351-T374 HydrophobicContact CB-CG2 4.08Å; L351-T374 HydrophobicContact CD2-CG2 4.17Å; L351-Y377 HydrophobicContact CD2-CD1 3.97Å; L351-K378 HydrophobicContact CD1-CB 3.94Å; L351-K378 HydrophobicContact CD1-CD 3.79Å; L351-K378 HydrophobicContact CD1-CG 3.94Å; L351-K378 HydrophobicContact CD2-CB 3.91Å
352	N	96.1	Very high	95.5	Very high	35 Å²	35	37.9 Å²	37.9	19%	0.187	20%	0.203	C	C	.	.	H	α-helix	trans	-65.3	-43.4	173.8	-75.7	-42.1	0	0	0	111.3	N236 F252 D348 G349 T355 Y356	N236-N352 PolarHBondContact ND2-OD1 3.04Å; F252-N352 HydrophobicContact CZ-CB 4.26Å; D348-N352 WeakPolarHBondContact O-CB 3.48Å; D348-N352 VanDerWaalsContact O-CG 3.23Å; D348-N352 PolarHBondContact O-N 3.03Å; D348-N352 PolarHBondContact O-ND2 2.97Å; G349-N352 PolarHBondContact O-N 3.48Å; N352-T355 PolarHBondContact O-N 3.22Å; N352-Y356 WeakPolarHBondContact O-CB 3.49Å; N352-Y356 PolarHBondContact O-N 2.84Å
353	E	97.4	Very high	95.3	Very high	46 Å²	46	36.6 Å²	36.6	22%	0.215	20%	0.198	C	C	.	.	H	α-helix	trans	-65.8	-41.7	176.4	-164	-177	161.8	0	0	111.3	F252 K332 F333 G349 L350 Y356 E357	F252-E353 HydrophobicContact CD1-CG 4.09Å; F252-E353 HydrophobicContact CE1-CB 3.89Å; F252-E353 HydrophobicContact CE1-CG 3.94Å; F252-E353 HydrophobicContact CE2-CB 4.22Å; F252-E353 HydrophobicContact CG-CG 4.43Å; F252-E353 HydrophobicContact CZ-CB 3.73Å; F252-E353 HydrophobicContact CZ-CG 4.17Å; K332-E353 IonicContact NZ-OE1 3.95Å; K332-E353 PolarHBondContact NZ-OE1 3.49Å; K332-E353 IonicContact NZ-OE2 3.9Å; K332-E353 PolarHBondContact NZ-OE2 3.15Å; F333-E353 HydrophobicContact CZ-CB 4.34Å; F333-E353 HydrophobicContact CZ-CG 4.13Å; G349-E353 PolarHBondContact O-N 3.48Å; L350-E353 PolarHBondContact O-N 3.16Å; E353-Y356 PolarHBondContact O-N 3.25Å; E353-E357 WeakPolarHBondContact O-CG 3.41Å; E353-E357 PolarHBondContact O-N 2.83Å
354	F	98	Very high	95.2	Very high	4 Å²	4	40.1 Å²	40.1	2%	0.018	21%	0.214	C	C	.	.	H	α-helix	trans	-58	-50.4	172.4	173.9	-97.3	0	0	0	111.5	F333 L350 L351 Y356 E357 Y358 I373 T374 Y377 F401	F333-F354 HydrophobicContact CB-CD2 3.95Å; F333-F354 HydrophobicContact CB-CE2 4.36Å; F333-F354 HydrophobicContact CD1-CB 4.03Å; F333-F354 AromaticContact CD1-CD2 3.95Å; F333-F354 HydrophobicContact CD1-CD2 3.95Å; F333-F354 HydrophobicContact CD1-CG 4.49Å; F333-F354 AromaticContact CD2-CD2 3.83Å; F333-F354 HydrophobicContact CD2-CD2 3.83Å; F333-F354 HydrophobicContact CE1-CB 3.78Å; F333-F354 HydrophobicContact CE1-CD2 4.43Å; F333-F354 HydrophobicContact CE2-CB 4.49Å; F333-F354 HydrophobicContact CE2-CD2 4.32Å; F333-F354 HydrophobicContact CG-CB 4.49Å; F333-F354 AromaticContact CG-CD2 3.64Å; F333-F354 HydrophobicContact CG-CD2 3.64Å; F333-F354 HydrophobicContact CG-CE2 4.45Å; F333-F354 VanDerWaalsContact CZ-CA 3.44Å; F333-F354 HydrophobicContact CZ-CB 4.05Å; L350-F354 WeakPolarHBondContact O-CB 3.19Å; L350-F354 PolarHBondContact O-N 3.3Å; L351-F354 PolarHBondContact O-N 2.04Å; F354-Y356 VanDerWaalsContact C-N 3.29Å; F354-Y356 PolarHBondContact O-N 3.34Å; F354-E357 PolarHBondContact O-N 2.9Å; F354-Y358 HydrophobicContact CE2-CD2 4.05Å; F354-Y358 AromaticContact CZ-CD2 3.87Å; F354-Y358 HydrophobicContact CZ-CD2 3.87Å; F354-Y358 HydrophobicContact CZ-CE2 4.5Å; F354-Y358 HydrophobicContact CZ-CG 4.17Å; F354-Y358 VanDerWaalsContact O-CB 3.24Å; F354-Y358 WeakPolarHBondContact O-CB 3.25Å; F354-Y358 PolarHBondContact O-N 3.16Å; F354-I373 HydrophobicContact CE1-CG2 3.98Å; F354-I373 HydrophobicContact CZ-CG2 3.86Å; F354-T374 HydrophobicContact CD1-CG2 4.29Å; F354-Y377 HydrophobicContact CB-CD1 4.24Å; F354-Y377 HydrophobicContact CB-CE1 4.19Å; F354-Y377 AromaticContact CD1-CD1 3.86Å; F354-Y377 HydrophobicContact CD1-CD1 3.86Å; F354-Y377 HydrophobicContact CD1-CG 4.41Å; F354-Y377 AromaticContact CD2-CD1 3.74Å; F354-Y377 HydrophobicContact CD2-CD1 3.74Å; F354-Y377 AromaticContact CD2-CE1 3.79Å; F354-Y377 HydrophobicContact CD2-CE1 3.79Å; F354-Y377 HydrophobicContact CD2-CG 4.29Å; F354-Y377 HydrophobicContact CE1-CD1 4.14Å; F354-Y377 HydrophobicContact CE1-CG 4.24Å; F354-Y377 HydrophobicContact CE2-CD1 4.02Å; F354-Y377 HydrophobicContact CE2-CD2 4.48Å; F354-Y377 HydrophobicContact CE2-CE1 4.33Å; F354-Y377 HydrophobicContact CE2-CG 4.1Å; F354-Y377 AromaticContact CG-CD1 3.65Å; F354-Y377 HydrophobicContact CG-CD1 3.65Å; F354-Y377 AromaticContact CG-CE1 3.92Å; F354-Y377 HydrophobicContact CG-CE1 3.92Å; F354-Y377 HydrophobicContact CG-CG 4.44Å; F354-Y377 HydrophobicContact CZ-CD1 4.22Å; F354-Y377 HydrophobicContact CZ-CG 4.07Å; F354-F401 AromaticContact CE2-CE2 3.87Å; F354-F401 HydrophobicContact CE2-CE2 3.87Å; F354-F401 AromaticContact CE2-CZ 3.83Å; F354-F401 HydrophobicContact CE2-CZ 3.83Å; F354-F401 HydrophobicContact CZ-CE1 4.22Å; F354-F401 AromaticContact CZ-CE2 3.72Å; F354-F401 HydrophobicContact CZ-CE2 3.72Å; F354-F401 AromaticContact CZ-CZ 3.53Å; F354-F401 HydrophobicContact CZ-CZ 3.53Å
355	T	98.4	Very high	95.3	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-58.9	-43.3	179.2	-57.5	0	0	0	0	110.6	T240 A241 L351 N352 S359 L371 T374	T240-T355 HydrophobicContact CG2-CG2 3.94Å; A241-T355 HydrophobicContact CB-CG2 4.11Å; L351-T355 WeakPolarHBondContact O-CB 3.4Å; L351-T355 PolarHBondContact O-N 3Å; L351-T355 PolarHBondContact O-OG1 3.37Å; N352-T355 PolarHBondContact O-N 3.22Å; T355-S359 WeakPolarHBondContact O-CB 3Å; T355-S359 PolarHBondContact O-N 3.23Å; T355-S359 PolarHBondContact O-OG 3.36Å; T355-L371 HydrophobicContact CG2-CD2 4.43Å; T355-T374 VanDerWaalsContact OG1-CG2 3.32Å; T355-T374 WeakPolarHBondContact OG1-CG2 3.13Å; T355-T374 PolarHBondContact OG1-OG1 3.01Å
356	Y	98.3	Very high	95.4	Very high	4 Å²	4	29 Å²	29	2%	0.016	15%	0.146	C	C	.	.	H	α-helix	trans	-59.9	-55.6	175.7	160.8	-104.9	0	0	0	112.2	S244 I250 F252 L255 N352 E353 F354 Y358 S359 R360	S244-Y356 WeakPolarHBondContact OG-CD2 3.49Å; I250-Y356 HydrophobicContact CG2-CE2 4.16Å; I250-Y356 WeakPolarHBondContact O-CE2 3.31Å; I250-Y356 PolarHBondContact O-OH 3.07Å; F252-Y356 HydrophobicContact CB-CD1 3.78Å; F252-Y356 HydrophobicContact CB-CE1 3.6Å; F252-Y356 HydrophobicContact CB-CG 4.38Å; F252-Y356 AromaticContact CD2-CD1 3.55Å; F252-Y356 HydrophobicContact CD2-CD1 3.55Å; F252-Y356 HydrophobicContact CD2-CD2 4.19Å; F252-Y356 HydrophobicContact CD2-CE1 4.25Å; F252-Y356 AromaticContact CD2-CG 3.52Å; F252-Y356 HydrophobicContact CD2-CG 3.52Å; F252-Y356 HydrophobicContact CE2-CD1 4.46Å; F252-Y356 HydrophobicContact CE2-CG 4.26Å; F252-Y356 AromaticContact CG-CD1 3.95Å; F252-Y356 HydrophobicContact CG-CD1 3.95Å; F252-Y356 HydrophobicContact CG-CE1 4.29Å; F252-Y356 HydrophobicContact CG-CG 4.34Å; F252-Y356 PolarHBondContact N-OH 3.05Å; L255-Y356 HydrophobicContact CD2-CD2 3.42Å; L255-Y356 VanDerWaalsContact CD2-CD2 3.42Å; L255-Y356 HydrophobicContact CD2-CE2 4.11Å; L255-Y356 HydrophobicContact CD2-CG 4.25Å; N352-Y356 WeakPolarHBondContact O-CB 3.49Å; N352-Y356 PolarHBondContact O-N 2.84Å; E353-Y356 PolarHBondContact O-N 3.25Å; F354-Y356 VanDerWaalsContact C-N 3.29Å; F354-Y356 PolarHBondContact O-N 3.34Å; Y356-Y358 PolarHBondContact O-N 2.67Å; Y356-S359 PolarHBondContact O-N 3.22Å; Y356-R360 WeakPolarHBondContact O-CG 3.22Å; Y356-R360 PolarHBondContact O-N 2.72Å; Y356-R360 VanDerWaalsContact O-N 3.09Å; Y356-R360 PolarHBondContact OH-NH1 3.38Å; Y356-R360 VanDerWaalsContact OH-NH1 3.12Å
357	E	97.6	Very high	95.5	Very high	23 Å²	23	25.4 Å²	25.4	11%	0.107	13%	0.128	C	C	.	.	H	α-helix	trans	-65.4	-41.1	-175.8	-70.2	-64.8	171.9	0	0	111.3	E330 F333 E353 F354 R360 R361	E330-E357 HydrophobicContact CB-CB 4.36Å; E330-E357 HydrophobicContact CG-CB 4.32Å; E330-E357 HydrophobicContact CG-CG 4.27Å; F333-E357 HydrophobicContact CE2-CB 3.72Å; F333-E357 HydrophobicContact CE2-CG 3.86Å; F333-E357 HydrophobicContact CZ-CB 4.35Å; F333-E357 HydrophobicContact CZ-CG 4.16Å; E353-E357 WeakPolarHBondContact O-CG 3.41Å; E353-E357 PolarHBondContact O-N 2.83Å; F354-E357 PolarHBondContact O-N 2.9Å; E357-R360 WeakPolarHBondContact O-CG 3.11Å; E357-R360 IonicContact OE1-CZ 3.65Å; E357-R360 IonicContact OE1-NH2 2.76Å; E357-R360 PolarHBondContact OE1-NH2 2.88Å; E357-R360 IonicContact OE2-CZ 2.7Å; E357-R360 IonicContact OE2-NE 2.75Å; E357-R360 PolarHBondContact OE2-NE 3.28Å; E357-R360 IonicContact OE2-NH2 3.75Å; E357-R360 PolarHBondContact OE2-NH2 3.34Å; E357-R361 VanDerWaalsContact C-NH1 3.35Å; E357-R361 WeakPolarHBondContact O-CG 3.43Å; E357-R361 PolarHBondContact O-NH1 3.45Å; E357-R361 IonicContact OE2-CZ 3.7Å; E357-R361 VanDerWaalsContact OE2-CZ 3.22Å; E357-R361 IonicContact OE2-NH1 3.97Å; E357-R361 PolarHBondContact OE2-NH1 3Å; E357-R361 IonicContact OE2-NH2 3.66Å; E357-R361 PolarHBondContact OE2-NH2 3.17Å
358	Y	97.5	Very high	95.7	Very high	29 Å²	29	23.6 Å²	23.6	11%	0.114	12%	0.119	C	C	.	.	H	α-helix	trans	-68.4	-45.7	179	-157.9	-87	0	0	0	111.3	F354 Y356 R360 R361 H362 L365 L370 I373 F401	F354-Y358 HydrophobicContact CE2-CD2 4.05Å; F354-Y358 AromaticContact CZ-CD2 3.87Å; F354-Y358 HydrophobicContact CZ-CD2 3.87Å; F354-Y358 HydrophobicContact CZ-CE2 4.5Å; F354-Y358 HydrophobicContact CZ-CG 4.17Å; F354-Y358 VanDerWaalsContact O-CB 3.24Å; F354-Y358 WeakPolarHBondContact O-CB 3.25Å; F354-Y358 PolarHBondContact O-N 3.16Å; Y356-Y358 PolarHBondContact O-N 2.67Å; Y358-R360 PolarHBondContact O-N 3.34Å; Y358-R361 PolarHBondContact O-N 3.35Å; Y358-H362 HydrophobicContact CD1-CB 4.4Å; Y358-H362 AromaticContact CD1-ND1 3.56Å; Y358-H362 HydrophobicContact CE1-CB 4.28Å; Y358-H362 AromaticContact CE1-CE1 3.9Å; Y358-H362 AromaticContact CE1-CG 3.8Å; Y358-H362 AromaticContact CE1-ND1 3.52Å; Y358-H362 AromaticContact CE2-CE1 3.76Å; Y358-H362 AromaticContact CG-ND1 3.87Å; Y358-H362 AromaticContact CZ-CE1 3.68Å; Y358-H362 AromaticContact CZ-ND1 3.8Å; Y358-H362 WeakPolarHBondContact O-CB 3.48Å; Y358-H362 PolarHBondContact O-N 3Å; Y358-H362 VanDerWaalsContact O-N 3.08Å; Y358-H362 PolarHBondContact O-ND1 2.94Å; Y358-L365 HydrophobicContact CE1-CD1 3.94Å; Y358-L370 HydrophobicContact CD1-CD2 3.65Å; Y358-L370 HydrophobicContact CE1-CD2 4.15Å; Y358-I373 HydrophobicContact CD1-CD1 4.4Å; Y358-I373 HydrophobicContact CD1-CG2 4.21Å; Y358-I373 HydrophobicContact CE1-CD1 3.54Å; Y358-I373 HydrophobicContact CE1-CG2 3.94Å; Y358-I373 HydrophobicContact CE2-CG2 4.34Å; Y358-F401 AromaticContact CE2-CD2 3.77Å; Y358-F401 HydrophobicContact CE2-CD2 3.77Å; Y358-F401 HydrophobicContact CE2-CE2 4.19Å
359	S	97.1	Very high	96	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-63.7	-41.3	-178	-63.1	0	0	0	0	113.2	A241 T355 Y356 R361 H362	A241-S359 WeakPolarHBondContact CA-OG 3.45Å; T355-S359 WeakPolarHBondContact O-CB 3Å; T355-S359 PolarHBondContact O-N 3.23Å; T355-S359 PolarHBondContact O-OG 3.36Å; Y356-S359 PolarHBondContact O-N 3.22Å; S359-R361 PolarHBondContact O-N 2.97Å; S359-H362 CarbonylContact O-C 3.51Å; S359-H362 PolarHBondContact O-N 3.37Å
360	R	95.8	Very high	96.2	Very high	37 Å²	37	19.3 Å²	19.3	14%	0.14	9%	0.091	C	C	.	.	H	α-helix	trans	-69.4	-21.5	179	72.9	178	-170.1	152.7	-5.3	113.7	S244 P248 L326 Y356 E357 Y358	S244-R360 WeakPolarHBondContact O-CA 3.35Å; S244-R360 WeakPolarHBondContact O-CB 3.34Å; P248-R360 HydrophobicContact CB-CB 3.87Å; L326-R360 HydrophobicContact CD1-CG 4.18Å; Y356-R360 WeakPolarHBondContact O-CG 3.22Å; Y356-R360 PolarHBondContact O-N 2.72Å; Y356-R360 VanDerWaalsContact O-N 3.09Å; Y356-R360 PolarHBondContact OH-NH1 3.38Å; Y356-R360 VanDerWaalsContact OH-NH1 3.12Å; E357-R360 WeakPolarHBondContact O-CG 3.11Å; E357-R360 IonicContact OE1-CZ 3.65Å; E357-R360 IonicContact OE1-NH2 2.76Å; E357-R360 PolarHBondContact OE1-NH2 2.88Å; E357-R360 IonicContact OE2-CZ 2.7Å; E357-R360 IonicContact OE2-NE 2.75Å; E357-R360 PolarHBondContact OE2-NE 3.28Å; E357-R360 IonicContact OE2-NH2 3.75Å; E357-R360 PolarHBondContact OE2-NH2 3.34Å; Y358-R360 PolarHBondContact O-N 3.34Å
361	R	95.1	Very high	96.3	Very high	14 Å²	14	19.5 Å²	19.5	5%	0.053	9%	0.092	C	C	.	.	H	α-helix	trans	-86.9	-24.9	174.6	-73.4	169.4	-177.2	71.2	-6.4	112.9	S327 P328 E330 E357 Y358 S359	S327-R361 WeakPolarHBondContact O-CD 3.25Å; S327-R361 WeakPolarHBondContact O-CG 3.24Å; S327-R361 PolarHBondContact O-NE 2.92Å; P328-R361 WeakPolarHBondContact O-CD 3.36Å; E330-R361 IonicContact OE2-CZ 2.62Å; E330-R361 IonicContact OE2-NH2 2.93Å; E330-R361 PolarHBondContact OE2-NH2 3.23Å; E357-R361 VanDerWaalsContact C-NH1 3.35Å; E357-R361 WeakPolarHBondContact O-CG 3.43Å; E357-R361 PolarHBondContact O-NH1 3.45Å; E357-R361 IonicContact OE2-CZ 3.7Å; E357-R361 VanDerWaalsContact OE2-CZ 3.22Å; E357-R361 IonicContact OE2-NH1 3.97Å; E357-R361 PolarHBondContact OE2-NH1 3Å; E357-R361 IonicContact OE2-NH2 3.66Å; E357-R361 PolarHBondContact OE2-NH2 3.17Å; Y358-R361 PolarHBondContact O-N 3.35Å; S359-R361 PolarHBondContact O-N 2.97Å
362	H	93.6	Very high	96.3	Very high	33 Å²	33	18.8 Å²	18.8	15%	0.153	9%	0.088	C	C	.	.			trans	-122.2	53	-172	-58.1	89.3	0	0	0	112.3	P328 Y358 S359 H364 L365 L370	P328-H362 PolarHBondContact O-CE1 3.36Å; Y358-H362 HydrophobicContact CD1-CB 4.4Å; Y358-H362 AromaticContact CD1-ND1 3.56Å; Y358-H362 HydrophobicContact CE1-CB 4.28Å; Y358-H362 AromaticContact CE1-CE1 3.9Å; Y358-H362 AromaticContact CE1-CG 3.8Å; Y358-H362 AromaticContact CE1-ND1 3.52Å; Y358-H362 AromaticContact CE2-CE1 3.76Å; Y358-H362 AromaticContact CG-ND1 3.87Å; Y358-H362 AromaticContact CZ-CE1 3.68Å; Y358-H362 AromaticContact CZ-ND1 3.8Å; Y358-H362 WeakPolarHBondContact O-CB 3.48Å; Y358-H362 PolarHBondContact O-N 3Å; Y358-H362 VanDerWaalsContact O-N 3.08Å; Y358-H362 PolarHBondContact O-ND1 2.94Å; S359-H362 CarbonylContact O-C 3.51Å; S359-H362 PolarHBondContact O-N 3.37Å; H362-H364 AromaticContact CD2-CE1 3.77Å; H362-H364 PolarHBondContact O-N 3.02Å; H362-L365 HydrophobicContact CB-CD1 3.66Å; H362-L365 HydrophobicContact CB-CG 3.94Å; H362-L365 PolarHBondContact O-N 3.37Å; H362-L370 HydrophobicContact CB-CD2 4.28Å
363	N	88.9	Confident	96.4	Very high	35 Å²	35	17.1 Å²	17.1	19%	0.187	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-7.4	-179	68.1	-3.9	0	0	0	115.1	K245 K319	K245-N363 HydrophobicContact CB-CB 4.47Å; K319-N363 PolarHBondContact NZ-O 2.84Å
364	H	89.9	Confident	96.5	Very high	95 Å²	95	15.3 Å²	15.3	44%	0.44	7%	0.072	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-9.8	174.4	66.3	-87.7	0	0	0	113.8	H362 A469	H362-H364 AromaticContact CD2-CE1 3.77Å; H362-H364 PolarHBondContact O-N 3.02Å; H364-A469 VanDerWaalsContact O-CB 3.28Å; H364-A469 WeakPolarHBondContact O-CB 3.49Å
365	L	95.5	Very high	96.4	Very high	6 Å²	6	17.5 Å²	17.5	3%	0.031	8%	0.082	C	C	.	.	S	Bend	trans	-86	152.4	173.4	-60	179.7	0	0	0	110.4	K245 Y358 H362 E369 L370 I373 T405 F468	K245-L365 WeakPolarHBondContact CE-O 3.41Å; K245-L365 PolarHBondContact NZ-O 2.72Å; Y358-L365 HydrophobicContact CE1-CD1 3.94Å; H362-L365 HydrophobicContact CB-CD1 3.66Å; H362-L365 HydrophobicContact CB-CG 3.94Å; H362-L365 PolarHBondContact O-N 3.37Å; L365-E369 HydrophobicContact CB-CB 4.49Å; L365-E369 HydrophobicContact CB-CG 4.4Å; L365-E369 HydrophobicContact CD1-CG 4.42Å; L365-E369 HydrophobicContact CD2-CG 4.42Å; L365-L370 HydrophobicContact CB-CD2 4.13Å; L365-L370 HydrophobicContact CB-CG 4.05Å; L365-L370 HydrophobicContact CD1-CD2 3.98Å; L365-I373 HydrophobicContact CD1-CD1 3.84Å; L365-T405 HydrophobicContact CD2-CG2 3.95Å; L365-F468 HydrophobicContact CB-CE1 4.44Å; L365-F468 HydrophobicContact CD2-CD1 4.08Å; L365-F468 HydrophobicContact CD2-CE1 3.65Å
366	S	96.8	Very high	96.4	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.09	C	C	.	.			trans	-68.2	163.3	174	71.6	0	0	0	0	111.1	E369 L370 D472 D473	S366-E369 WeakPolarHBondContact OG-CB 3.41Å; S366-E369 PolarHBondContact OG-N 2.93Å; S366-L370 WeakPolarHBondContact O-CD1 3.39Å; S366-L370 VanDerWaalsContact O-CG 3.3Å; S366-L370 WeakPolarHBondContact O-CG 3.04Å; S366-L370 PolarHBondContact O-N 3.28Å; S366-D472 VanDerWaalsContact CB-OD2 3.32Å; S366-D472 WeakPolarHBondContact CB-OD2 3.24Å; S366-D472 PolarHBondContact OG-OD2 2.74Å; S366-D473 WeakPolarHBondContact CB-OD1 3.37Å
367	T	96.8	Very high	96.4	Very high	18 Å²	18	18.6 Å²	18.6	11%	0.11	9%	0.089	C	C	.	.	H	α-helix	trans	-65.7	-47	174.1	-49.9	0	0	0	0	111.1	I238 A241 V242 K245 E369 L370 L371 D473	I238-T367 HydrophobicContact CG2-CG2 4.37Å; A241-T367 HydrophobicContact CB-CG2 4.01Å; V242-T367 HydrophobicContact CG2-CG2 3.85Å; K245-T367 PolarHBondContact NZ-OG1 2.83Å; T367-E369 VanDerWaalsContact C-N 3.3Å; T367-E369 PolarHBondContact O-N 2.99Å; T367-L370 PolarHBondContact O-N 3.43Å; T367-L371 HydrophobicContact CG2-CD1 4.5Å; T367-L371 WeakPolarHBondContact O-CG 3.04Å; T367-L371 PolarHBondContact O-N 2.92Å; T367-L371 VanDerWaalsContact O-N 3.17Å; T367-D473 WeakPolarHBondContact CB-OD1 3.44Å; T367-D473 PolarHBondContact N-OD1 3Å; T367-D473 PolarHBondContact OG1-OD1 3.45Å
368	P	97.2	Very high	96.3	Very high	3 Å²	3	20 Å²	20	2%	0.019	10%	0.095	C	C	.	.	H	α-helix	trans	-57.9	-38	174.2	-26	36	0	0	0	113.6	L371 R372 D473 D476	P368-L371 PolarHBondContact O-N 3.42Å; P368-R372 VanDerWaalsContact CB-NH1 3.3Å; P368-R372 WeakPolarHBondContact O-CG 3.47Å; P368-R372 PolarHBondContact O-N 3.32Å; P368-D473 WeakPolarHBondContact CD-OD1 3.4Å; P368-D476 HydrophobicContact CG-CB 3.81Å
369	E	98.3	Very high	96.3	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-64.6	-44	178.4	-178	59.7	-161.2	0	0	112.2	L365 S366 T367 L371 R372 I373 T405 S408 F468	L365-E369 HydrophobicContact CB-CB 4.49Å; L365-E369 HydrophobicContact CB-CG 4.4Å; L365-E369 HydrophobicContact CD1-CG 4.42Å; L365-E369 HydrophobicContact CD2-CG 4.42Å; S366-E369 WeakPolarHBondContact OG-CB 3.41Å; S366-E369 PolarHBondContact OG-N 2.93Å; T367-E369 VanDerWaalsContact C-N 3.3Å; T367-E369 PolarHBondContact O-N 2.99Å; E369-L371 VanDerWaalsContact C-N 3.28Å; E369-L371 PolarHBondContact O-N 3.34Å; E369-R372 VanDerWaalsContact CA-NH2 3.33Å; E369-R372 PolarHBondContact O-N 2.86Å; E369-R372 IonicContact OE2-CZ 3.95Å; E369-R372 VanDerWaalsContact OE2-CZ 3.29Å; E369-R372 IonicContact OE2-NE 2.8Å; E369-R372 PolarHBondContact OE2-NE 3.41Å; E369-R372 IonicContact OE2-NH2 3.32Å; E369-R372 PolarHBondContact OE2-NH2 2.91Å; E369-I373 HydrophobicContact CG-CD1 4.06Å; E369-I373 WeakPolarHBondContact O-CG1 3.41Å; E369-I373 PolarHBondContact O-N 3.33Å; E369-T405 WeakPolarHBondContact OE1-CA 3.45Å; E369-T405 WeakPolarHBondContact OE1-CB 3.39Å; E369-T405 PolarHBondContact OE1-N 3.47Å; E369-T405 PolarHBondContact OE1-OG1 2.89Å; E369-S408 VanDerWaalsContact OE2-CB 3.28Å; E369-S408 WeakPolarHBondContact OE2-CB 3.24Å; E369-S408 PolarHBondContact OE2-OG 2.98Å; E369-F468 HydrophobicContact CB-CE1 4.16Å; E369-F468 HydrophobicContact CB-CZ 4Å; E369-F468 HydrophobicContact CG-CE1 4Å; E369-F468 HydrophobicContact CG-CZ 3.83Å
370	L	98.4	Very high	96.3	Very high	2 Å²	2	24 Å²	24	1%	0.01	12%	0.118	C	C	.	.	H	α-helix	trans	-61.3	-39.8	177.1	-69.5	162.5	0	0	0	111.6	A241 K245 Y358 H362 L365 S366 T367 I373 T374	A241-L370 HydrophobicContact CB-CB 4.32Å; A241-L370 HydrophobicContact CB-CD1 4.32Å; K245-L370 HydrophobicContact CD-CD1 3.45Å; K245-L370 VanDerWaalsContact CD-CD1 3.45Å; K245-L370 HydrophobicContact CG-CD1 3.8Å; Y358-L370 HydrophobicContact CD1-CD2 3.65Å; Y358-L370 HydrophobicContact CE1-CD2 4.15Å; H362-L370 HydrophobicContact CB-CD2 4.28Å; L365-L370 HydrophobicContact CB-CD2 4.13Å; L365-L370 HydrophobicContact CB-CG 4.05Å; L365-L370 HydrophobicContact CD1-CD2 3.98Å; S366-L370 WeakPolarHBondContact O-CD1 3.39Å; S366-L370 VanDerWaalsContact O-CG 3.3Å; S366-L370 WeakPolarHBondContact O-CG 3.04Å; S366-L370 PolarHBondContact O-N 3.28Å; T367-L370 PolarHBondContact O-N 3.43Å; L370-I373 PolarHBondContact O-N 2.62Å; L370-T374 PolarHBondContact O-N 2.79Å; L370-T374 PolarHBondContact O-OG1 2.88Å
371	L	98.4	Very high	96.3	Very high	11 Å²	11	22.2 Å²	22.2	6%	0.058	11%	0.111	C	C	.	.	H	α-helix	trans	-68.6	-37.9	175.9	-60.4	178.8	0	0	0	112.1	I238 A241 T355 T367 P368 E369 I373 T374 E375 F503 A504	I238-L371 HydrophobicContact CB-CD1 4.49Å; I238-L371 HydrophobicContact CG1-CD1 3.65Å; A241-L371 HydrophobicContact CB-CD2 4.33Å; T355-L371 HydrophobicContact CG2-CD2 4.43Å; T367-L371 HydrophobicContact CG2-CD1 4.5Å; T367-L371 WeakPolarHBondContact O-CG 3.04Å; T367-L371 PolarHBondContact O-N 2.92Å; T367-L371 VanDerWaalsContact O-N 3.17Å; P368-L371 PolarHBondContact O-N 3.42Å; E369-L371 VanDerWaalsContact C-N 3.28Å; E369-L371 PolarHBondContact O-N 3.34Å; L371-I373 VanDerWaalsContact C-N 3.34Å; L371-I373 PolarHBondContact O-N 2.71Å; L371-T374 WeakPolarHBondContact O-CB 3.37Å; L371-T374 PolarHBondContact O-N 3.44Å; L371-E375 PolarHBondContact O-N 2.04Å; L371-F503 HydrophobicContact CD1-CD1 3.83Å; L371-F503 HydrophobicContact CD1-CE1 3.83Å; L371-A504 HydrophobicContact CB-CB 3.64Å
372	R	98.2	Very high	96.3	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-62.1	-42.9	173.8	-76.6	-174.4	-67.5	-93	5.4	111.2	P368 E369 T374 E375 V376 S408 D472 A504 F505 H508	P368-R372 VanDerWaalsContact CB-NH1 3.3Å; P368-R372 WeakPolarHBondContact O-CG 3.47Å; P368-R372 PolarHBondContact O-N 3.32Å; E369-R372 VanDerWaalsContact CA-NH2 3.33Å; E369-R372 PolarHBondContact O-N 2.86Å; E369-R372 IonicContact OE2-CZ 3.95Å; E369-R372 VanDerWaalsContact OE2-CZ 3.29Å; E369-R372 IonicContact OE2-NE 2.8Å; E369-R372 PolarHBondContact OE2-NE 3.41Å; E369-R372 IonicContact OE2-NH2 3.32Å; E369-R372 PolarHBondContact OE2-NH2 2.91Å; R372-T374 VanDerWaalsContact C-N 3.28Å; R372-T374 PolarHBondContact O-N 2.8Å; R372-E375 PolarHBondContact O-N 3.36Å; R372-V376 WeakPolarHBondContact O-CG2 3.5Å; R372-V376 PolarHBondContact O-N 3.13Å; R372-S408 PolarHBondContact NH2-OG 3.46Å; R372-D472 IonicContact CZ-OD2 3.11Å; R372-D472 IonicContact NH1-OD2 3.29Å; R372-D472 IonicContact NH2-OD1 2.98Å; R372-D472 IonicContact NH2-OD2 3.72Å; R372-D472 PolarHBondContact NH2-OD2 2.94Å; R372-A504 HydrophobicContact CB-CB 4.47Å; R372-A504 VanDerWaalsContact CD-O 3.3Å; R372-A504 WeakPolarHBondContact CD-O 3.26Å; R372-A504 HydrophobicContact CG-CB 3.72Å; R372-A504 WeakPolarHBondContact CG-O 3.44Å; R372-A504 PolarHBondContact NH1-O 3.48Å; R372-F505 HydrophobicContact CB-CE1 4.31Å; R372-F505 HydrophobicContact CB-CE2 4.26Å; R372-F505 HydrophobicContact CB-CZ 3.98Å; R372-F505 HydrophobicContact CG-CD1 4.03Å; R372-F505 HydrophobicContact CG-CD2 4.11Å; R372-F505 HydrophobicContact CG-CE1 3.92Å; R372-F505 HydrophobicContact CG-CE2 4.02Å; R372-F505 HydrophobicContact CG-CG 4.12Å; R372-F505 HydrophobicContact CG-CZ 3.92Å; R372-H508 VanDerWaalsContact CZ-CE1 3.44Å; R372-H508 PolarHBondContact NE-CE1 3Å; R372-H508 VanDerWaalsContact NE-CE1 3.3Å
373	I	98.4	Very high	96.4	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-60.5	-40.6	175.5	-69.7	168.5	0	0	0	110.7	F354 Y358 L365 E369 L370 L371 V376 Y377 F401 T404	F354-I373 HydrophobicContact CE1-CG2 3.98Å; F354-I373 HydrophobicContact CZ-CG2 3.86Å; Y358-I373 HydrophobicContact CD1-CD1 4.4Å; Y358-I373 HydrophobicContact CD1-CG2 4.21Å; Y358-I373 HydrophobicContact CE1-CD1 3.54Å; Y358-I373 HydrophobicContact CE1-CG2 3.94Å; Y358-I373 HydrophobicContact CE2-CG2 4.34Å; L365-I373 HydrophobicContact CD1-CD1 3.84Å; E369-I373 HydrophobicContact CG-CD1 4.06Å; E369-I373 WeakPolarHBondContact O-CG1 3.41Å; E369-I373 PolarHBondContact O-N 3.33Å; L370-I373 PolarHBondContact O-N 2.62Å; L371-I373 VanDerWaalsContact C-N 3.34Å; L371-I373 PolarHBondContact O-N 2.71Å; I373-V376 PolarHBondContact O-N 3.24Å; I373-Y377 WeakPolarHBondContact O-CB 3.29Å; I373-Y377 PolarHBondContact O-N 2.85Å; I373-F401 HydrophobicContact CG2-CB 4.14Å; I373-F401 HydrophobicContact CG2-CD1 3.7Å; I373-F401 HydrophobicContact CG2-CD2 4.18Å; I373-F401 HydrophobicContact CG2-CE1 4.12Å; I373-F401 HydrophobicContact CG2-CG 3.74Å; I373-T404 HydrophobicContact CG1-CG2 3.77Å
374	T	98.1	Very high	96.8	Very high	8 Å²	8	26.8 Å²	26.8	5%	0.049	14%	0.135	C	C	.	.	H	α-helix	trans	-62	-44	174.1	-62.2	0	0	0	0	112.6	L351 F354 T355 L370 L371 R372 Y377 K378	L351-T374 HydrophobicContact CB-CG2 4.08Å; L351-T374 HydrophobicContact CD2-CG2 4.17Å; F354-T374 HydrophobicContact CD1-CG2 4.29Å; T355-T374 VanDerWaalsContact OG1-CG2 3.32Å; T355-T374 WeakPolarHBondContact OG1-CG2 3.13Å; T355-T374 PolarHBondContact OG1-OG1 3.01Å; L370-T374 PolarHBondContact O-N 2.79Å; L370-T374 PolarHBondContact O-OG1 2.88Å; L371-T374 WeakPolarHBondContact O-CB 3.37Å; L371-T374 PolarHBondContact O-N 3.44Å; R372-T374 VanDerWaalsContact C-N 3.28Å; R372-T374 PolarHBondContact O-N 2.8Å; T374-Y377 WeakPolarHBondContact O-CB 3.27Å; T374-Y377 PolarHBondContact O-N 2.85Å; T374-K378 PolarHBondContact O-N 3.47Å
375	E	97.3	Very high	97	Very high	49 Å²	49	23.9 Å²	23.9	23%	0.229	13%	0.125	C	C	.	.	H	α-helix	trans	-67.1	-41	175.8	-69.7	-57.2	139.5	0	0	111.9	L371 R372 Y377 K378 D379 F505	L371-E375 PolarHBondContact O-N 2.04Å; R372-E375 PolarHBondContact O-N 3.36Å; E375-Y377 VanDerWaalsContact C-N 3.25Å; E375-Y377 PolarHBondContact O-N 3.36Å; E375-K378 WeakPolarHBondContact O-CB 3.45Å; E375-K378 PolarHBondContact O-N 3.5Å; E375-K378 VanDerWaalsContact O-N 3.15Å; E375-K378 WeakPolarHBondContact OE2-CD 3.33Å; E375-K378 IonicContact OE2-NZ 3.34Å; E375-K378 PolarHBondContact OE2-NZ 3.23Å; E375-K378 VanDerWaalsContact OE2-NZ 3.07Å; E375-D379 PolarHBondContact O-N 3.13Å; E375-F505 HydrophobicContact CB-CE2 3.9Å
376	V	97.5	Very high	96.9	Very high	27 Å²	27	28.2 Å²	28.2	16%	0.164	16%	0.155	C	C	.	.	H	α-helix	trans	-58.8	-39.5	172.9	168.6	0	0	0	0	111.2	R372 I373 L380 K400 F401 T404 F505	R372-V376 WeakPolarHBondContact O-CG2 3.5Å; R372-V376 PolarHBondContact O-N 3.13Å; I373-V376 PolarHBondContact O-N 3.24Å; V376-L380 VanDerWaalsContact O-CB 3.26Å; V376-L380 WeakPolarHBondContact O-CB 3.42Å; V376-L380 PolarHBondContact O-N 2.91Å; V376-K400 HydrophobicContact CG1-CB 3.87Å; V376-F401 HydrophobicContact CG1-CD1 4.19Å; V376-F401 HydrophobicContact CG1-CE1 4.44Å; V376-T404 HydrophobicContact CG2-CG2 4.22Å; V376-F505 HydrophobicContact CG2-CZ 4.11Å
377	Y	98	Very high	96.8	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-66.2	-44.8	176	-176.6	-125.6	0	0	0	111.7	F333 V339 L351 F354 I373 T374 E375 L380 L381 A397 F401	F333-Y377 HydrophobicContact CB-CE1 4.49Å; F333-Y377 HydrophobicContact CB-CE2 4.47Å; F333-Y377 WeakPolarHBondContact CB-OH 3Å; F333-Y377 HydrophobicContact CD1-CE1 4.29Å; F333-Y377 WeakPolarHBondContact O-CE2 3.45Å; F333-Y377 PolarHBondContact O-OH 2.57Å; V339-Y377 VanDerWaalsContact CG1-OH 3.27Å; V339-Y377 WeakPolarHBondContact CG1-OH 3.34Å; L351-Y377 HydrophobicContact CD2-CD1 3.97Å; F354-Y377 HydrophobicContact CB-CD1 4.24Å; F354-Y377 HydrophobicContact CB-CE1 4.19Å; F354-Y377 AromaticContact CD1-CD1 3.86Å; F354-Y377 HydrophobicContact CD1-CD1 3.86Å; F354-Y377 HydrophobicContact CD1-CG 4.41Å; F354-Y377 AromaticContact CD2-CD1 3.74Å; F354-Y377 HydrophobicContact CD2-CD1 3.74Å; F354-Y377 AromaticContact CD2-CE1 3.79Å; F354-Y377 HydrophobicContact CD2-CE1 3.79Å; F354-Y377 HydrophobicContact CD2-CG 4.29Å; F354-Y377 HydrophobicContact CE1-CD1 4.14Å; F354-Y377 HydrophobicContact CE1-CG 4.24Å; F354-Y377 HydrophobicContact CE2-CD1 4.02Å; F354-Y377 HydrophobicContact CE2-CD2 4.48Å; F354-Y377 HydrophobicContact CE2-CE1 4.33Å; F354-Y377 HydrophobicContact CE2-CG 4.1Å; F354-Y377 AromaticContact CG-CD1 3.65Å; F354-Y377 HydrophobicContact CG-CD1 3.65Å; F354-Y377 AromaticContact CG-CE1 3.92Å; F354-Y377 HydrophobicContact CG-CE1 3.92Å; F354-Y377 HydrophobicContact CG-CG 4.44Å; F354-Y377 HydrophobicContact CZ-CD1 4.22Å; F354-Y377 HydrophobicContact CZ-CG 4.07Å; I373-Y377 WeakPolarHBondContact O-CB 3.29Å; I373-Y377 PolarHBondContact O-N 2.85Å; T374-Y377 WeakPolarHBondContact O-CB 3.27Å; T374-Y377 PolarHBondContact O-N 2.85Å; E375-Y377 VanDerWaalsContact C-N 3.25Å; E375-Y377 PolarHBondContact O-N 3.36Å; Y377-L380 WeakPolarHBondContact O-CB 3.03Å; Y377-L380 PolarHBondContact O-N 2.99Å; Y377-L381 HydrophobicContact CD1-CD1 4.14Å; Y377-L381 HydrophobicContact CD2-CD2 4.48Å; Y377-L381 HydrophobicContact CD2-CG 4.21Å; Y377-L381 HydrophobicContact CE1-CD1 3.59Å; Y377-L381 HydrophobicContact CE1-CG 4.21Å; Y377-L381 HydrophobicContact CE2-CD1 4.14Å; Y377-L381 HydrophobicContact CE2-CD2 3.8Å; Y377-L381 HydrophobicContact CE2-CG 3.89Å; Y377-L381 VanDerWaalsContact O-CG 3.31Å; Y377-L381 WeakPolarHBondContact O-CG 3.39Å; Y377-L381 PolarHBondContact O-N 3.21Å; Y377-A397 HydrophobicContact CD2-CB 4.24Å; Y377-A397 HydrophobicContact CE2-CB 4.39Å; Y377-F401 HydrophobicContact CD2-CE1 4.07Å; Y377-F401 AromaticContact CD2-CZ 3.57Å; Y377-F401 HydrophobicContact CD2-CZ 3.57Å; Y377-F401 HydrophobicContact CE2-CZ 4.42Å; Y377-F401 HydrophobicContact CG-CE1 4.25Å; Y377-F401 AromaticContact CG-CZ 3.92Å; Y377-F401 HydrophobicContact CG-CZ 3.92Å
378	K	96.8	Very high	96.7	Very high	53 Å²	53	41.4 Å²	41.4	23%	0.23	21%	0.214	C	C	.	.	H	α-helix	trans	-57.6	-50.8	175.5	176.3	-172.8	158.1	-145.7	0	111.7	L347 L351 T374 E375 L380 L381 E382	L347-K378 HydrophobicContact CD1-CG 4.45Å; L347-K378 HydrophobicContact CD2-CG 4.43Å; L351-K378 HydrophobicContact CD1-CB 3.94Å; L351-K378 HydrophobicContact CD1-CD 3.79Å; L351-K378 HydrophobicContact CD1-CG 3.94Å; L351-K378 HydrophobicContact CD2-CB 3.91Å; T374-K378 PolarHBondContact O-N 3.47Å; E375-K378 WeakPolarHBondContact O-CB 3.45Å; E375-K378 PolarHBondContact O-N 3.5Å; E375-K378 VanDerWaalsContact O-N 3.15Å; E375-K378 WeakPolarHBondContact OE2-CD 3.33Å; E375-K378 IonicContact OE2-NZ 3.34Å; E375-K378 PolarHBondContact OE2-NZ 3.23Å; E375-K378 VanDerWaalsContact OE2-NZ 3.07Å; K378-L380 VanDerWaalsContact C-N 3.3Å; K378-L380 PolarHBondContact O-N 3.18Å; K378-L381 PolarHBondContact O-N 3.24Å; K378-L381 VanDerWaalsContact O-N 3.11Å; K378-E382 WeakPolarHBondContact CE-OE1 2.99Å; K378-E382 WeakPolarHBondContact O-CG 3.11Å; K378-E382 PolarHBondContact O-N 2.78Å
379	D	96.3	Very high	96.5	Very high	88 Å²	88	46.2 Å²	46.2	47%	0.471	24%	0.24	S	C	.	.	H	α-helix	trans	-60.4	-41.2	178.7	-70.7	-9.2	0	0	0	111.5	E375 L381 E382 D383	E375-D379 PolarHBondContact O-N 3.13Å; D379-L381 VanDerWaalsContact C-N 3.34Å; D379-L381 PolarHBondContact O-N 2.7Å; D379-E382 PolarHBondContact O-N 2.93Å; D379-D383 PolarHBondContact O-N 3.3Å
380	L	96.8	Very high	96.4	Very high	24 Å²	24	47.8 Å²	47.8	13%	0.126	25%	0.25	C	S	.	.	H	α-helix	trans	-61.4	-43	175	179.1	71.2	0	0	0	111.6	V376 Y377 K378 D383 C384 A397	V376-L380 VanDerWaalsContact O-CB 3.26Å; V376-L380 WeakPolarHBondContact O-CB 3.42Å; V376-L380 PolarHBondContact O-N 2.91Å; Y377-L380 WeakPolarHBondContact O-CB 3.03Å; Y377-L380 PolarHBondContact O-N 2.99Å; K378-L380 VanDerWaalsContact C-N 3.3Å; K378-L380 PolarHBondContact O-N 3.18Å; L380-D383 PolarHBondContact O-N 3.15Å; L380-C384 VanDerWaalsContact CD1-SG 3.54Å; L380-C384 WeakPolarHBondContact O-CB 3.03Å; L380-C384 PolarHBondContact O-N 3.45Å; L380-C384 PolarHBondContact O-SG 3.47Å; L380-A397 VanDerWaalsContact CD2-CA 3.44Å; L380-A397 HydrophobicContact CD2-CB 3.34Å
381	L	96.8	Very high	96.2	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-66.8	-43.4	178.5	-71.6	-170.8	0	0	0	111.8	V339 L350 Y377 K378 D379 D383 C384 C385 Y394	V339-L381 HydrophobicContact CG1-CD1 3.93Å; V339-L381 HydrophobicContact CG1-CD2 3.52Å; V339-L381 HydrophobicContact CG1-CG 4.39Å; L350-L381 HydrophobicContact CD2-CD1 3.75Å; Y377-L381 HydrophobicContact CD1-CD1 4.14Å; Y377-L381 HydrophobicContact CD2-CD2 4.48Å; Y377-L381 HydrophobicContact CD2-CG 4.21Å; Y377-L381 HydrophobicContact CE1-CD1 3.59Å; Y377-L381 HydrophobicContact CE1-CG 4.21Å; Y377-L381 HydrophobicContact CE2-CD1 4.14Å; Y377-L381 HydrophobicContact CE2-CD2 3.8Å; Y377-L381 HydrophobicContact CE2-CG 3.89Å; Y377-L381 VanDerWaalsContact O-CG 3.31Å; Y377-L381 WeakPolarHBondContact O-CG 3.39Å; Y377-L381 PolarHBondContact O-N 3.21Å; K378-L381 PolarHBondContact O-N 3.24Å; K378-L381 VanDerWaalsContact O-N 3.11Å; D379-L381 VanDerWaalsContact C-N 3.34Å; D379-L381 PolarHBondContact O-N 2.7Å; L381-D383 VanDerWaalsContact C-N 3.29Å; L381-D383 PolarHBondContact O-N 2.85Å; L381-C384 PolarHBondContact O-N 3.1Å; L381-C385 VanDerWaalsContact O-CB 3.23Å; L381-C385 WeakPolarHBondContact O-CB 3.22Å; L381-C385 PolarHBondContact O-N 2.97Å; L381-C385 PolarHBondContact O-SG 2.88Å; L381-Y394 HydrophobicContact CD2-CD1 4.27Å; L381-Y394 HydrophobicContact CD2-CG 4.3Å
382	E	94.9	Very high	96	Very high	101 Å²	101	50.2 Å²	50.2	47%	0.472	28%	0.275	S	S	.	.	H	α-helix	trans	-56.6	-41.9	174.6	-71.8	-179.3	-173	0	0	112	K378 D379	K378-E382 WeakPolarHBondContact CE-OE1 2.99Å; K378-E382 WeakPolarHBondContact O-CG 3.11Å; K378-E382 PolarHBondContact O-N 2.78Å; D379-E382 PolarHBondContact O-N 2.93Å
383	D	95.2	Very high	95.8	Very high	78 Å²	78	51.6 Å²	51.6	42%	0.417	28%	0.284	S	S	.	.	H	α-helix	trans	-71.3	-53	174.3	177.1	45.6	0	0	0	112	D379 L380 L381 C385 S386 K387	D379-D383 PolarHBondContact O-N 3.3Å; L380-D383 PolarHBondContact O-N 3.15Å; L381-D383 VanDerWaalsContact C-N 3.29Å; L381-D383 PolarHBondContact O-N 2.85Å; D383-C385 PolarHBondContact O-N 3.46Å; D383-S386 PolarHBondContact O-N 3.08Å; D383-S386 PolarHBondContact O-OG 3.45Å; D383-K387 VanDerWaalsContact CG-CE 3.49Å; D383-K387 VanDerWaalsContact CG-NZ 3.31Å; D383-K387 WeakPolarHBondContact OD1-CE 3.28Å; D383-K387 IonicContact OD1-NZ 2.94Å; D383-K387 PolarHBondContact OD1-NZ 3.29Å; D383-K387 VanDerWaalsContact OD2-CE 3.31Å; D383-K387 WeakPolarHBondContact OD2-CE 3.04Å; D383-K387 IonicContact OD2-NZ 3.13Å; D383-K387 PolarHBondContact OD2-NZ 3.34Å
384	C	96.6	Very high	95.7	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-67.9	-37.9	-171.8	-73.7	0	0	0	0	113.9	L380 L381 S386 K387 P390 C393 Y394	L380-C384 VanDerWaalsContact CD1-SG 3.54Å; L380-C384 WeakPolarHBondContact O-CB 3.03Å; L380-C384 PolarHBondContact O-N 3.45Å; L380-C384 PolarHBondContact O-SG 3.47Å; L381-C384 PolarHBondContact O-N 3.1Å; C384-S386 PolarHBondContact O-N 2.93Å; C384-K387 WeakPolarHBondContact O-CB 3.22Å; C384-K387 PolarHBondContact O-N 2.99Å; C384-K387 VanDerWaalsContact O-N 3.07Å; C384-P390 WeakPolarHBondContact O-CA 3.41Å; C384-P390 WeakPolarHBondContact O-CB 3.24Å; C384-C393 WeakPolarHBondContact CA-SG 3.47Å; C384-C393 HydrophobicContact CB-CB 3.55Å; C384-C393 WeakPolarHBondContact CB-SG 3.39Å; C384-C393 WeakPolarHBondContact SG-CB 3.41Å; C384-C393 CovalentContact SG-SG 2.04Å; C384-C393 PolarHBondContact SG-SG 2.91Å; C384-Y394 HydrophobicContact CB-CD1 4.34Å; C384-Y394 PolarHBondContact SG-N 3.27Å; C384-Y394 VanDerWaalsContact SG-N 3.41Å
385	C	95.5	Very high	95.5	Very high	34 Å²	34	58.4 Å²	58.4	23%	0.23	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-11.1	-176.9	-68.3	0	0	0	0	113.5	C340 Q343 L381 D383	C340-C385 WeakPolarHBondContact CA-SG 3.34Å; C340-C385 HydrophobicContact CB-CB 3.7Å; C340-C385 WeakPolarHBondContact CB-SG 3.33Å; C340-C385 WeakPolarHBondContact SG-CA 3.43Å; C340-C385 WeakPolarHBondContact SG-CB 3.36Å; C340-C385 CovalentContact SG-SG 2.04Å; C340-C385 PolarHBondContact SG-SG 2.99Å; Q343-C385 PolarHBondContact OE1-SG 3.26Å; L381-C385 VanDerWaalsContact O-CB 3.23Å; L381-C385 WeakPolarHBondContact O-CB 3.22Å; L381-C385 PolarHBondContact O-N 2.97Å; L381-C385 PolarHBondContact O-SG 2.88Å; D383-C385 PolarHBondContact O-N 3.46Å
386	S	93.4	Very high	95.3	Very high	96 Å²	96	61.2 Å²	61.2	67%	0.671	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-8.8	170.4	76.4	0	0	0	0	114.5	D383 C384	D383-S386 PolarHBondContact O-N 3.08Å; D383-S386 PolarHBondContact O-OG 3.45Å; C384-S386 PolarHBondContact O-N 2.93Å
387	K	94.6	Very high	95.1	Very high	89 Å²	89	60 Å²	60	39%	0.387	31%	0.314	S	S	.	.	S	Bend	trans	-89.6	162.6	-173.6	-64.3	-178.2	-174.5	169.9	0	112.9	D383 C384 N389 P390 C393	D383-K387 VanDerWaalsContact CG-CE 3.49Å; D383-K387 VanDerWaalsContact CG-NZ 3.31Å; D383-K387 WeakPolarHBondContact OD1-CE 3.28Å; D383-K387 IonicContact OD1-NZ 2.94Å; D383-K387 PolarHBondContact OD1-NZ 3.29Å; D383-K387 VanDerWaalsContact OD2-CE 3.31Å; D383-K387 WeakPolarHBondContact OD2-CE 3.04Å; D383-K387 IonicContact OD2-NZ 3.13Å; D383-K387 PolarHBondContact OD2-NZ 3.34Å; C384-K387 WeakPolarHBondContact O-CB 3.22Å; C384-K387 PolarHBondContact O-N 2.99Å; C384-K387 VanDerWaalsContact O-N 3.07Å; K387-N389 PolarHBondContact O-N 3.03Å; K387-P390 VanDerWaalsContact O-CD 3.26Å; K387-P390 WeakPolarHBondContact O-CD 3.49Å; K387-P390 WeakPolarHBondContact O-CG 3.31Å; K387-C393 HydrophobicContact CD-CB 4.39Å
388	E	93.8	Very high	95	Very high	207 Å²	207	62.9 Å²	62.9	97%	0.967	33%	0.328	S	S	*	.	S	Bend	trans	-59.9	-32	178	-67.3	-175.3	171.4	0	0	113.6
389	N	94	Very high	94.9	Very high	103 Å²	103	65 Å²	65	55%	0.551	34%	0.342	S	S	*	.			trans	-129.3	80.6	176.7	-178.6	14.6	0	0	0	110.9	K387 A391 G392 C393	K387-N389 PolarHBondContact O-N 3.03Å; N389-A391 PolarHBondContact O-N 3.46Å; N389-G392 PolarHBondContact O-N 3.43Å; N389-G392 PolarHBondContact OD1-N 3.49Å; N389-C393 PolarHBondContact O-N 2.63Å
390	P	94.8	Very high	94.9	Very high	34 Å²	34	65.2 Å²	65.2	22%	0.221	34%	0.338	C	S	.	.	H	α-helix	trans	-59.8	-44.2	-178.3	-26.6	36.9	0	0	0	112.8	C340 C384 K387 G392 C393 Y394	C340-P390 WeakPolarHBondContact SG-CB 3.07Å; C384-P390 WeakPolarHBondContact O-CA 3.41Å; C384-P390 WeakPolarHBondContact O-CB 3.24Å; K387-P390 VanDerWaalsContact O-CD 3.26Å; K387-P390 WeakPolarHBondContact O-CD 3.49Å; K387-P390 WeakPolarHBondContact O-CG 3.31Å; P390-G392 VanDerWaalsContact C-N 3.31Å; P390-G392 PolarHBondContact O-N 3.35Å; P390-C393 WeakPolarHBondContact O-CA 3.2Å; P390-C393 VanDerWaalsContact O-CB 3.31Å; P390-C393 WeakPolarHBondContact O-CB 3.44Å; P390-C393 PolarHBondContact O-N 3.14Å; P390-Y394 HydrophobicContact CB-CD1 4.27Å; P390-Y394 HydrophobicContact CB-CE1 3.86Å; P390-Y394 WeakPolarHBondContact O-CD1 3.47Å; P390-Y394 WeakPolarHBondContact O-CE1 3.35Å; P390-Y394 PolarHBondContact O-N 3.4Å
391	A	94	Very high	94.9	Very high	32 Å²	32	64.2 Å²	64.2	26%	0.264	33%	0.333	S	S	.	.	H	α-helix	trans	-62.9	-35.5	-179.5	0	0	0	0	0	113	N389 C393 Y394 R395	N389-A391 PolarHBondContact O-N 3.46Å; A391-C393 VanDerWaalsContact C-N 3.26Å; A391-C393 PolarHBondContact O-N 3.21Å; A391-Y394 WeakPolarHBondContact CA-OH 3.27Å; A391-Y394 HydrophobicContact CB-CE1 4.46Å; A391-Y394 HydrophobicContact CB-CE2 4.27Å; A391-Y394 WeakPolarHBondContact CB-OH 3.43Å; A391-R395 VanDerWaalsContact O-CB 3.27Å; A391-R395 WeakPolarHBondContact O-CB 3.07Å; A391-R395 PolarHBondContact O-N 2.57Å
392	G	94.3	Very high	94.8	Very high	32 Å²	32	68.1 Å²	68.1	33%	0.33	35%	0.354	S	S	.	.	H	α-helix	trans	-67.3	-28.1	171.3	0	0	0	0	0	113.3	N389 P390 H396	N389-G392 PolarHBondContact O-N 3.43Å; N389-G392 PolarHBondContact OD1-N 3.49Å; P390-G392 VanDerWaalsContact C-N 3.31Å; P390-G392 PolarHBondContact O-N 3.35Å; G392-H396 PolarHBondContact O-CD2 2.95Å
393	C	95.6	Very high	94.9	Very high	28 Å²	28	67 Å²	67	19%	0.189	35%	0.349	C	S	.	.	H	α-helix	trans	-79.9	-57.6	-178.6	-177.6	0	0	0	0	112.2	C384 K387 N389 P390 A391 R395 H396	C384-C393 WeakPolarHBondContact CA-SG 3.47Å; C384-C393 HydrophobicContact CB-CB 3.55Å; C384-C393 WeakPolarHBondContact CB-SG 3.39Å; C384-C393 WeakPolarHBondContact SG-CB 3.41Å; C384-C393 CovalentContact SG-SG 2.04Å; C384-C393 PolarHBondContact SG-SG 2.91Å; K387-C393 HydrophobicContact CD-CB 4.39Å; N389-C393 PolarHBondContact O-N 2.63Å; P390-C393 WeakPolarHBondContact O-CA 3.2Å; P390-C393 VanDerWaalsContact O-CB 3.31Å; P390-C393 WeakPolarHBondContact O-CB 3.44Å; P390-C393 PolarHBondContact O-N 3.14Å; A391-C393 VanDerWaalsContact C-N 3.26Å; A391-C393 PolarHBondContact O-N 3.21Å; C393-R395 PolarHBondContact O-N 3.07Å; C393-H396 PolarHBondContact O-N 3.42Å
394	Y	95.2	Very high	94.9	Very high	3 Å²	3	63.8 Å²	63.8	1%	0.012	33%	0.332	C	S	.	.	H	α-helix	trans	-75.4	-8.3	-176.1	59.5	-115.3	0	0	0	113.9	S336 V339 L381 C384 P390 A391 H396 A397	S336-Y394 WeakPolarHBondContact O-CE2 3.36Å; S336-Y394 PolarHBondContact O-OH 3.48Å; V339-Y394 HydrophobicContact CB-CE1 4.14Å; V339-Y394 HydrophobicContact CB-CE2 4.23Å; V339-Y394 HydrophobicContact CG2-CE2 3.98Å; L381-Y394 HydrophobicContact CD2-CD1 4.27Å; L381-Y394 HydrophobicContact CD2-CG 4.3Å; C384-Y394 HydrophobicContact CB-CD1 4.34Å; C384-Y394 PolarHBondContact SG-N 3.27Å; C384-Y394 VanDerWaalsContact SG-N 3.41Å; P390-Y394 HydrophobicContact CB-CD1 4.27Å; P390-Y394 HydrophobicContact CB-CE1 3.86Å; P390-Y394 WeakPolarHBondContact O-CD1 3.47Å; P390-Y394 WeakPolarHBondContact O-CE1 3.35Å; P390-Y394 PolarHBondContact O-N 3.4Å; A391-Y394 WeakPolarHBondContact CA-OH 3.27Å; A391-Y394 HydrophobicContact CB-CE1 4.46Å; A391-Y394 HydrophobicContact CB-CE2 4.27Å; A391-Y394 WeakPolarHBondContact CB-OH 3.43Å; Y394-H396 PolarHBondContact O-N 2.04Å; Y394-H396 VanDerWaalsContact O-N 3.12Å; Y394-A397 VanDerWaalsContact O-CB 3.29Å; Y394-A397 WeakPolarHBondContact O-CB 3.46Å; Y394-A397 PolarHBondContact O-N 3.47Å
395	R	94.7	Very high	94.9	Very high	149 Å²	149	65 Å²	65	56%	0.562	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-25.2	174.1	-169.2	172.4	-150.5	169.8	3.4	113.4	R329 T334 D335 A391 C393 A397	R329-R395 PolarHBondContact NH2-O 3.33Å; T334-R395 WeakPolarHBondContact O-CA 3.24Å; D335-R395 IonicContact OD1-NE 2.65Å; A391-R395 VanDerWaalsContact O-CB 3.27Å; A391-R395 WeakPolarHBondContact O-CB 3.07Å; A391-R395 PolarHBondContact O-N 2.57Å; C393-R395 PolarHBondContact O-N 3.07Å; R395-A397 VanDerWaalsContact C-N 3.32Å
396	H	91.7	Very high	95	Very high	108 Å²	108	69.9 Å²	69.9	50%	0.5	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90	15.6	177.7	-65.2	-73.9	0	0	0	113.6	G392 C393 Y394 E398 D399	G392-H396 PolarHBondContact O-CD2 2.95Å; C393-H396 PolarHBondContact O-N 3.42Å; Y394-H396 PolarHBondContact O-N 2.04Å; Y394-H396 VanDerWaalsContact O-N 3.12Å; H396-E398 VanDerWaalsContact C-N 3.26Å; H396-E398 PolarHBondContact O-N 2.82Å; H396-D399 IonicContact CG-OD2 2.76Å; H396-D399 IonicContact ND1-OD2 3.17Å; H396-D399 PolarHBondContact ND1-OD2 3.24Å; H396-D399 VanDerWaalsContact ND1-OD2 3.11Å; H396-D399 WeakPolarHBondContact O-CB 3.46Å; H396-D399 PolarHBondContact O-N 3.24Å
397	A	95.3	Very high	95.1	Very high	0 Å²	0	70.6 Å²	70.6	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-57.6	-37.9	-177.5	0	0	0	0	0	113.2	T334 Y377 L380 Y394 R395 D399 K400 F401	T334-A397 HydrophobicContact CG2-CB 3.97Å; Y377-A397 HydrophobicContact CD2-CB 4.24Å; Y377-A397 HydrophobicContact CE2-CB 4.39Å; L380-A397 VanDerWaalsContact CD2-CA 3.44Å; L380-A397 HydrophobicContact CD2-CB 3.34Å; Y394-A397 VanDerWaalsContact O-CB 3.29Å; Y394-A397 WeakPolarHBondContact O-CB 3.46Å; Y394-A397 PolarHBondContact O-N 3.47Å; R395-A397 VanDerWaalsContact C-N 3.32Å; A397-D399 VanDerWaalsContact C-N 3.26Å; A397-D399 PolarHBondContact O-N 3.48Å; A397-K400 WeakPolarHBondContact O-CA 3.49Å; A397-K400 WeakPolarHBondContact O-CB 3.48Å; A397-K400 PolarHBondContact O-N 3Å; A397-F401 HydrophobicContact CB-CE1 4.1Å; A397-F401 HydrophobicContact CB-CE2 3.91Å; A397-F401 HydrophobicContact CB-CZ 3.57Å; A397-F401 VanDerWaalsContact O-CD1 3.23Å; A397-F401 WeakPolarHBondContact O-CD1 3.46Å; A397-F401 VanDerWaalsContact O-CG 3.23Å; A397-F401 WeakPolarHBondContact O-CG 3.47Å; A397-F401 PolarHBondContact O-N 3.06Å
398	E	94.1	Very high	95.3	Very high	61 Å²	61	66.4 Å²	66.4	29%	0.285	33%	0.332	S	S	.	.	H	α-helix	trans	-63.6	-30.6	177.8	-72.4	177	146.6	0	0	113.4	R329 H396 K400 F401 N402	R329-E398 WeakPolarHBondContact CB-OE1 3.28Å; R329-E398 WeakPolarHBondContact CD-OE1 3.34Å; R329-E398 WeakPolarHBondContact CG-OE1 3.3Å; R329-E398 IonicContact CZ-OE1 2.88Å; R329-E398 IonicContact CZ-OE2 3.59Å; R329-E398 IonicContact NE-OE1 2.72Å; R329-E398 PolarHBondContact NE-OE1 3.48Å; R329-E398 IonicContact NE-OE2 3.35Å; R329-E398 PolarHBondContact NE-OE2 2.95Å; R329-E398 IonicContact NH2-OE2 3.34Å; R329-E398 PolarHBondContact NH2-OE2 2.82Å; H396-E398 VanDerWaalsContact C-N 3.26Å; H396-E398 PolarHBondContact O-N 2.82Å; E398-K400 PolarHBondContact O-N 3.33Å; E398-F401 HydrophobicContact CG-CD2 4.16Å; E398-F401 HydrophobicContact CG-CE2 4.48Å; E398-F401 PolarHBondContact O-N 2.86Å; E398-N402 WeakPolarHBondContact O-CB 3.39Å; E398-N402 PolarHBondContact O-N 3.01Å; E398-N402 PolarHBondContact O-ND2 3.42Å
399	D	95.2	Very high	95.4	Very high	97 Å²	97	59.2 Å²	59.2	52%	0.519	30%	0.3	S	S	.	.	H	α-helix	trans	-63.3	-37.1	174	-59.4	-35.1	0	0	0	109.9	H396 A397 E403	H396-D399 IonicContact CG-OD2 2.76Å; H396-D399 IonicContact ND1-OD2 3.17Å; H396-D399 PolarHBondContact ND1-OD2 3.24Å; H396-D399 VanDerWaalsContact ND1-OD2 3.11Å; H396-D399 WeakPolarHBondContact O-CB 3.46Å; H396-D399 PolarHBondContact O-N 3.24Å; A397-D399 VanDerWaalsContact C-N 3.26Å; A397-D399 PolarHBondContact O-N 3.48Å; D399-E403 WeakPolarHBondContact O-CB 3.47Å; D399-E403 PolarHBondContact O-N 3.34Å
400	K	96.3	Very high	95.5	Very high	93 Å²	93	56.8 Å²	56.8	40%	0.404	29%	0.294	S	S	.	.	H	α-helix	trans	-73	-36.5	175.2	-66.8	-61	-177.8	-176.6	0	113.4	V376 A397 E398 E403 T404	V376-K400 HydrophobicContact CG1-CB 3.87Å; A397-K400 WeakPolarHBondContact O-CA 3.49Å; A397-K400 WeakPolarHBondContact O-CB 3.48Å; A397-K400 PolarHBondContact O-N 3Å; E398-K400 PolarHBondContact O-N 3.33Å; K400-E403 IonicContact NZ-OE2 2.58Å; K400-E403 PolarHBondContact NZ-OE2 3.34Å; K400-E403 PolarHBondContact O-N 3.31Å; K400-T404 PolarHBondContact O-N 2.99Å; K400-T404 VanDerWaalsContact O-N 3.11Å
401	F	96.6	Very high	95.5	Very high	3 Å²	3	56.7 Å²	56.7	1%	0.013	29%	0.291	C	S	.	.	H	α-helix	trans	-64.6	-45.6	174.4	-53	-21.8	0	0	0	110.7	F354 Y358 I373 V376 Y377 A397 E398 E403 T404 T405	F354-F401 AromaticContact CE2-CE2 3.87Å; F354-F401 HydrophobicContact CE2-CE2 3.87Å; F354-F401 AromaticContact CE2-CZ 3.83Å; F354-F401 HydrophobicContact CE2-CZ 3.83Å; F354-F401 HydrophobicContact CZ-CE1 4.22Å; F354-F401 AromaticContact CZ-CE2 3.72Å; F354-F401 HydrophobicContact CZ-CE2 3.72Å; F354-F401 AromaticContact CZ-CZ 3.53Å; F354-F401 HydrophobicContact CZ-CZ 3.53Å; Y358-F401 AromaticContact CE2-CD2 3.77Å; Y358-F401 HydrophobicContact CE2-CD2 3.77Å; Y358-F401 HydrophobicContact CE2-CE2 4.19Å; I373-F401 HydrophobicContact CG2-CB 4.14Å; I373-F401 HydrophobicContact CG2-CD1 3.7Å; I373-F401 HydrophobicContact CG2-CD2 4.18Å; I373-F401 HydrophobicContact CG2-CE1 4.12Å; I373-F401 HydrophobicContact CG2-CG 3.74Å; V376-F401 HydrophobicContact CG1-CD1 4.19Å; V376-F401 HydrophobicContact CG1-CE1 4.44Å; Y377-F401 HydrophobicContact CD2-CE1 4.07Å; Y377-F401 AromaticContact CD2-CZ 3.57Å; Y377-F401 HydrophobicContact CD2-CZ 3.57Å; Y377-F401 HydrophobicContact CE2-CZ 4.42Å; Y377-F401 HydrophobicContact CG-CE1 4.25Å; Y377-F401 AromaticContact CG-CZ 3.92Å; Y377-F401 HydrophobicContact CG-CZ 3.92Å; A397-F401 HydrophobicContact CB-CE1 4.1Å; A397-F401 HydrophobicContact CB-CE2 3.91Å; A397-F401 HydrophobicContact CB-CZ 3.57Å; A397-F401 VanDerWaalsContact O-CD1 3.23Å; A397-F401 WeakPolarHBondContact O-CD1 3.46Å; A397-F401 VanDerWaalsContact O-CG 3.23Å; A397-F401 WeakPolarHBondContact O-CG 3.47Å; A397-F401 PolarHBondContact O-N 3.06Å; E398-F401 HydrophobicContact CG-CD2 4.16Å; E398-F401 HydrophobicContact CG-CE2 4.48Å; E398-F401 PolarHBondContact O-N 2.86Å; F401-E403 PolarHBondContact O-N 2.87Å; F401-T404 WeakPolarHBondContact O-CG2 3.32Å; F401-T404 PolarHBondContact O-N 2.94Å; F401-T405 PolarHBondContact O-N 3.41Å; F401-T405 PolarHBondContact O-OG1 3.15Å; F401-T405 VanDerWaalsContact O-OG1 3.12Å
402	N	95.9	Very high	95.7	Very high	83 Å²	83	55.2 Å²	55.2	44%	0.444	28%	0.278	S	S	.	.	H	α-helix	trans	-61.3	-43.3	175.2	-69.7	-27.4	0	0	0	111.5	E398 T404 T405 E406	E398-N402 WeakPolarHBondContact O-CB 3.39Å; E398-N402 PolarHBondContact O-N 3.01Å; E398-N402 PolarHBondContact O-ND2 3.42Å; N402-T404 VanDerWaalsContact C-N 3.32Å; N402-T404 PolarHBondContact O-N 2.82Å; N402-T405 PolarHBondContact O-N 2.91Å; N402-E406 WeakPolarHBondContact O-CB 3.36Å; N402-E406 VanDerWaalsContact O-CG 3.32Å; N402-E406 WeakPolarHBondContact O-CG 3.03Å; N402-E406 PolarHBondContact O-N 2.98Å
403	E	96.4	Very high	95.8	Very high	76 Å²	76	58.3 Å²	58.3	36%	0.355	29%	0.285	S	S	.	.	H	α-helix	trans	-57.5	-42.5	177	-168.1	-165.1	147.8	0	0	112.3	D399 K400 F401 K407	D399-E403 WeakPolarHBondContact O-CB 3.47Å; D399-E403 PolarHBondContact O-N 3.34Å; K400-E403 IonicContact NZ-OE2 2.58Å; K400-E403 PolarHBondContact NZ-OE2 3.34Å; K400-E403 PolarHBondContact O-N 3.31Å; F401-E403 PolarHBondContact O-N 2.87Å; E403-K407 WeakPolarHBondContact O-CG 3.11Å; E403-K407 PolarHBondContact O-N 3.36Å; E403-K407 IonicContact OE1-NZ 3.69Å; E403-K407 PolarHBondContact OE1-NZ 3.42Å
404	T	95.6	Very high	95.8	Very high	12 Å²	12	63.1 Å²	63.1	7%	0.074	30%	0.304	C	S	.	.	H	α-helix	trans	-70.9	-41.7	177	-172.6	0	0	0	0	111.8	I373 V376 K400 F401 N402 E406 K407 S408	I373-T404 HydrophobicContact CG1-CG2 3.77Å; V376-T404 HydrophobicContact CG2-CG2 4.22Å; K400-T404 PolarHBondContact O-N 2.99Å; K400-T404 VanDerWaalsContact O-N 3.11Å; F401-T404 WeakPolarHBondContact O-CG2 3.32Å; F401-T404 PolarHBondContact O-N 2.94Å; N402-T404 VanDerWaalsContact C-N 3.32Å; N402-T404 PolarHBondContact O-N 2.82Å; T404-E406 PolarHBondContact O-N 3.42Å; T404-K407 PolarHBondContact O-N 3.42Å; T404-S408 PolarHBondContact O-N 3.47Å; T404-S408 VanDerWaalsContact O-N 3.13Å; T404-S408 PolarHBondContact O-OG 3.45Å
405	T	97.2	Very high	95.8	Very high	24 Å²	24	63.3 Å²	63.3	15%	0.147	31%	0.305	C	S	.	.	H	α-helix	trans	-67.8	-37.6	-179.5	-60.2	0	0	0	0	112.4	L365 E369 F401 N402 K407 S408 L409	L365-T405 HydrophobicContact CD2-CG2 3.95Å; E369-T405 WeakPolarHBondContact OE1-CA 3.45Å; E369-T405 WeakPolarHBondContact OE1-CB 3.39Å; E369-T405 PolarHBondContact OE1-N 3.47Å; E369-T405 PolarHBondContact OE1-OG1 2.89Å; F401-T405 PolarHBondContact O-N 3.41Å; F401-T405 PolarHBondContact O-OG1 3.15Å; F401-T405 VanDerWaalsContact O-OG1 3.12Å; N402-T405 PolarHBondContact O-N 2.91Å; T405-K407 VanDerWaalsContact C-N 3.32Å; T405-K407 PolarHBondContact O-N 3.3Å; T405-S408 PolarHBondContact O-N 3.21Å; T405-L409 VanDerWaalsContact O-CB 3.24Å; T405-L409 WeakPolarHBondContact O-CB 3.38Å; T405-L409 PolarHBondContact O-N 3.22Å
406	E	97.1	Very high	95.9	Very high	137 Å²	137	56.4 Å²	56.4	64%	0.64	28%	0.279	S	S	*	.	H	α-helix	trans	-62.3	-38.4	175	-76.6	-179.5	174	0	0	112	N402 T404 L409 A410	N402-E406 WeakPolarHBondContact O-CB 3.36Å; N402-E406 VanDerWaalsContact O-CG 3.32Å; N402-E406 WeakPolarHBondContact O-CG 3.03Å; N402-E406 PolarHBondContact O-N 2.98Å; T404-E406 PolarHBondContact O-N 3.42Å; E406-L409 PolarHBondContact O-N 3.16Å; E406-A410 WeakPolarHBondContact O-CB 3.48Å; E406-A410 PolarHBondContact O-N 3.29Å
407	K	95.8	Very high	96.1	Very high	111 Å²	111	56.8 Å²	56.8	48%	0.483	28%	0.28	S	S	.	.	H	α-helix	trans	-63.7	-50.5	174.8	-70.9	170.5	-170.6	167.5	0	111.1	E403 T404 T405 L409 A410 M411	E403-K407 WeakPolarHBondContact O-CG 3.11Å; E403-K407 PolarHBondContact O-N 3.36Å; E403-K407 IonicContact OE1-NZ 3.69Å; E403-K407 PolarHBondContact OE1-NZ 3.42Å; T404-K407 PolarHBondContact O-N 3.42Å; T405-K407 VanDerWaalsContact C-N 3.32Å; T405-K407 PolarHBondContact O-N 3.3Å; K407-L409 VanDerWaalsContact C-N 3.3Å; K407-L409 PolarHBondContact O-N 2.91Å; K407-A410 PolarHBondContact O-N 3.33Å; K407-M411 WeakPolarHBondContact O-CG 3.38Å; K407-M411 PolarHBondContact O-N 2.89Å; K407-M411 VanDerWaalsContact O-N 3.14Å
408	S	97	Very high	96.1	Very high	1 Å²	1	58.7 Å²	58.7	1%	0.007	29%	0.29	C	S	.	.	H	α-helix	trans	-59.4	-41.9	177.3	-58.2	0	0	0	0	111.8	E369 R372 T404 T405 M411 V412 H508	E369-S408 VanDerWaalsContact OE2-CB 3.28Å; E369-S408 WeakPolarHBondContact OE2-CB 3.24Å; E369-S408 PolarHBondContact OE2-OG 2.98Å; R372-S408 PolarHBondContact NH2-OG 3.46Å; T404-S408 PolarHBondContact O-N 3.47Å; T404-S408 VanDerWaalsContact O-N 3.13Å; T404-S408 PolarHBondContact O-OG 3.45Å; T405-S408 PolarHBondContact O-N 3.21Å; S408-M411 PolarHBondContact O-N 3.27Å; S408-V412 PolarHBondContact O-N 3.44Å; S408-H508 PolarHBondContact OG-CE1 3.03Å; S408-H508 PolarHBondContact OG-NE2 3.48Å
409	L	96.6	Very high	96.1	Very high	57 Å²	57	58.2 Å²	58.2	30%	0.298	29%	0.287	S	S	.	.	H	α-helix	trans	-65.3	-44.6	179	179.6	62.2	0	0	0	111.5	T405 E406 K407 M411 V412 Q413 F468	T405-L409 VanDerWaalsContact O-CB 3.24Å; T405-L409 WeakPolarHBondContact O-CB 3.38Å; T405-L409 PolarHBondContact O-N 3.22Å; E406-L409 PolarHBondContact O-N 3.16Å; K407-L409 VanDerWaalsContact C-N 3.3Å; K407-L409 PolarHBondContact O-N 2.91Å; L409-M411 VanDerWaalsContact C-N 3.27Å; L409-M411 PolarHBondContact O-N 3.44Å; L409-V412 PolarHBondContact O-N 3.25Å; L409-Q413 HydrophobicContact CD1-CG 4.2Å; L409-Q413 HydrophobicContact CG-CG 4.32Å; L409-Q413 WeakPolarHBondContact O-CB 3.44Å; L409-Q413 VanDerWaalsContact O-CG 3.31Å; L409-Q413 WeakPolarHBondContact O-CG 3.32Å; L409-Q413 PolarHBondContact O-N 3Å; L409-F468 HydrophobicContact CB-CD2 4.28Å; L409-F468 HydrophobicContact CB-CE2 4.41Å; L409-F468 HydrophobicContact CD1-CB 4.03Å; L409-F468 HydrophobicContact CD1-CD2 3.95Å; L409-F468 HydrophobicContact CD1-CG 4.15Å
410	A	96.4	Very high	96.1	Very high	51 Å²	51	60.3 Å²	60.3	42%	0.421	29%	0.293	S	S	.	.	H	α-helix	trans	-59.8	-38.7	177.8	0	0	0	0	0	111.9	E406 K407 Q413 Q414	E406-A410 WeakPolarHBondContact O-CB 3.48Å; E406-A410 PolarHBondContact O-N 3.29Å; K407-A410 PolarHBondContact O-N 3.33Å; A410-Q413 PolarHBondContact O-N 3.35Å; A410-Q414 WeakPolarHBondContact O-CB 3.35Å; A410-Q414 PolarHBondContact O-N 3.32Å
411	M	95.4	Very high	96	Very high	33 Å²	33	61.8 Å²	61.8	16%	0.163	30%	0.302	C	S	.	.	H	α-helix	trans	-61.3	-50.1	175	-67.1	165.8	57.6	0	0	111.5	K407 S408 L409 Q413 Q414 E415 E511	K407-M411 WeakPolarHBondContact O-CG 3.38Å; K407-M411 PolarHBondContact O-N 2.89Å; K407-M411 VanDerWaalsContact O-N 3.14Å; S408-M411 PolarHBondContact O-N 3.27Å; L409-M411 VanDerWaalsContact C-N 3.27Å; L409-M411 PolarHBondContact O-N 3.44Å; M411-Q413 PolarHBondContact O-N 2.82Å; M411-Q414 PolarHBondContact O-N 3.4Å; M411-E415 WeakPolarHBondContact O-CG 3.49Å; M411-E415 PolarHBondContact O-N 3.33Å; M411-E511 HydrophobicContact CE-CB 3.86Å; M411-E511 HydrophobicContact CE-CG 3.46Å; M411-E511 VanDerWaalsContact CE-CG 3.46Å
412	V	96.9	Very high	95.7	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-62.8	-42.8	178.2	173	0	0	0	0	111.6	S408 L409 Q414 E415 C416 F468 V471	S408-V412 PolarHBondContact O-N 3.44Å; L409-V412 PolarHBondContact O-N 3.25Å; V412-Q414 VanDerWaalsContact C-N 3.3Å; V412-Q414 PolarHBondContact O-N 3.32Å; V412-E415 PolarHBondContact O-N 3.37Å; V412-C416 WeakPolarHBondContact O-CB 3.34Å; V412-C416 PolarHBondContact O-N 2.82Å; V412-F468 HydrophobicContact CB-CD2 4.3Å; V412-F468 HydrophobicContact CG2-CD2 3.96Å; V412-F468 HydrophobicContact CG2-CE2 4.34Å; V412-V471 HydrophobicContact CB-CG1 4.49Å; V412-V471 HydrophobicContact CG1-CB 3.73Å; V412-V471 HydrophobicContact CG1-CG1 4Å; V412-V471 HydrophobicContact CG1-CG2 3.88Å; V412-V471 HydrophobicContact CG2-CB 4.12Å; V412-V471 HydrophobicContact CG2-CG1 3.97Å
413	Q	96.3	Very high	95.5	Very high	98 Å²	98	68.3 Å²	68.3	46%	0.458	33%	0.331	S	S	.	.	H	α-helix	trans	-60.8	-40.3	177.7	-74.8	175.4	-13.9	0	0	111.8	L409 A410 M411 K417	L409-Q413 HydrophobicContact CD1-CG 4.2Å; L409-Q413 HydrophobicContact CG-CG 4.32Å; L409-Q413 WeakPolarHBondContact O-CB 3.44Å; L409-Q413 VanDerWaalsContact O-CG 3.31Å; L409-Q413 WeakPolarHBondContact O-CG 3.32Å; L409-Q413 PolarHBondContact O-N 3Å; A410-Q413 PolarHBondContact O-N 3.35Å; M411-Q413 PolarHBondContact O-N 2.82Å; Q413-K417 VanDerWaalsContact O-CB 3.25Å; Q413-K417 WeakPolarHBondContact O-CB 3.38Å; Q413-K417 PolarHBondContact O-N 2.88Å
414	Q	95.6	Very high	95.1	Very high	128 Å²	128	72 Å²	72	60%	0.598	35%	0.346	S	S	*	.	H	α-helix	trans	-64.2	-43.6	175.8	-177.4	177.2	-4.6	0	0	111.7	A410 M411 V412 K417 L418	A410-Q414 WeakPolarHBondContact O-CB 3.35Å; A410-Q414 PolarHBondContact O-N 3.32Å; M411-Q414 PolarHBondContact O-N 3.4Å; V412-Q414 VanDerWaalsContact C-N 3.3Å; V412-Q414 PolarHBondContact O-N 3.32Å; Q414-K417 WeakPolarHBondContact O-CB 3.2Å; Q414-K417 PolarHBondContact O-N 3.38Å; Q414-L418 WeakPolarHBondContact O-CG 3.45Å; Q414-L418 PolarHBondContact O-N 3.27Å
415	E	96	Very high	94.6	Very high	8 Å²	8	75.1 Å²	75.1	4%	0.037	36%	0.362	C	S	.	.	H	α-helix	trans	-67.4	-42	178	-66.3	170.2	146.3	0	0	112.5	M411 V412 K417 L418 F419 L458 V471 R507	M411-E415 WeakPolarHBondContact O-CG 3.49Å; M411-E415 PolarHBondContact O-N 3.33Å; V412-E415 PolarHBondContact O-N 3.37Å; E415-K417 VanDerWaalsContact C-N 3.29Å; E415-K417 PolarHBondContact O-N 3.21Å; E415-L418 WeakPolarHBondContact O-CB 3.41Å; E415-L418 PolarHBondContact O-N 2.96Å; E415-L418 VanDerWaalsContact O-N 3.17Å; E415-F419 PolarHBondContact O-N 2.82Å; E415-L458 HydrophobicContact CB-CD1 4.27Å; E415-L458 HydrophobicContact CB-CD2 3.77Å; E415-V471 WeakPolarHBondContact OE2-CG1 3Å; E415-R507 IonicContact OE1-NH2 2.59Å; E415-R507 PolarHBondContact OE1-NH2 2.83Å; E415-R507 IonicContact OE2-CZ 2.93Å; E415-R507 IonicContact OE2-NH2 2.81Å; E415-R507 PolarHBondContact OE2-NH2 3.41Å
416	C	96.6	Very high	94.2	Very high	3 Å²	3	76 Å²	76	2%	0.02	37%	0.372	C	S	.	.	H	α-helix	trans	-66.7	-32.8	175.6	-73.6	0	0	0	0	112	V412 F419 Q420 C462	V412-C416 WeakPolarHBondContact O-CB 3.34Å; V412-C416 PolarHBondContact O-N 2.82Å; C416-F419 WeakPolarHBondContact O-CB 3.39Å; C416-F419 PolarHBondContact O-N 3.42Å; C416-Q420 WeakPolarHBondContact O-CG 3.01Å; C416-Q420 PolarHBondContact O-N 3.36Å; C416-C462 WeakPolarHBondContact CA-SG 3.33Å; C416-C462 HydrophobicContact CB-CB 3.68Å; C416-C462 WeakPolarHBondContact CB-SG 3.22Å; C416-C462 VanDerWaalsContact SG-CA 3.52Å; C416-C462 WeakPolarHBondContact SG-CB 3.46Å; C416-C462 CovalentContact SG-SG 2.05Å; C416-C462 PolarHBondContact SG-SG 2.94Å
417	K	96.3	Very high	93.9	Very high	116 Å²	116	69.6 Å²	69.6	50%	0.504	34%	0.342	S	S	.	.	H	α-helix	trans	-63.1	-45.6	169.3	-178.7	178.9	174.1	-177.8	0	111.4	Q413 Q414 E415 F419 Q420 E421	Q413-K417 VanDerWaalsContact O-CB 3.25Å; Q413-K417 WeakPolarHBondContact O-CB 3.38Å; Q413-K417 PolarHBondContact O-N 2.88Å; Q414-K417 WeakPolarHBondContact O-CB 3.2Å; Q414-K417 PolarHBondContact O-N 3.38Å; E415-K417 VanDerWaalsContact C-N 3.29Å; E415-K417 PolarHBondContact O-N 3.21Å; K417-F419 VanDerWaalsContact C-N 3.29Å; K417-F419 PolarHBondContact O-N 3.48Å; K417-Q420 PolarHBondContact O-N 3.45Å; K417-Q420 VanDerWaalsContact O-N 3.11Å; K417-E421 WeakPolarHBondContact CE-OE1 3.14Å; K417-E421 HydrophobicContact CG-CG 4.38Å; K417-E421 IonicContact NZ-OE1 3.82Å; K417-E421 WeakPolarHBondContact O-CG 3.44Å; K417-E421 PolarHBondContact O-N 3.19Å
418	L	94.1	Very high	93.6	Very high	40 Å²	40	65 Å²	65	21%	0.209	32%	0.322	C	S	.	.	H	α-helix	trans	-59.2	-40.6	174.3	-71.3	170.6	0	0	0	111.8	Q414 E415 Q420 E421 L422 L427	Q414-L418 WeakPolarHBondContact O-CG 3.45Å; Q414-L418 PolarHBondContact O-N 3.27Å; E415-L418 WeakPolarHBondContact O-CB 3.41Å; E415-L418 PolarHBondContact O-N 2.96Å; E415-L418 VanDerWaalsContact O-N 3.17Å; L418-Q420 VanDerWaalsContact C-N 3.31Å; L418-Q420 PolarHBondContact O-N 3.46Å; L418-E421 PolarHBondContact O-N 3.49Å; L418-L422 HydrophobicContact CD2-CD1 4.33Å; L418-L422 VanDerWaalsContact O-CB 3.29Å; L418-L422 WeakPolarHBondContact O-CB 3.37Å; L418-L422 WeakPolarHBondContact O-CG 3.4Å; L418-L422 PolarHBondContact O-N 3.39Å; L418-L427 HydrophobicContact CB-CD1 4.34Å
419	F	94.9	Very high	93.3	Very high	51 Å²	51	66.4 Å²	66.4	22%	0.224	33%	0.33	C	S	.	.	H	α-helix	trans	-61.9	-36.4	174.8	167.8	-99.1	0	0	0	113	E415 C416 K417 L427 L458 T459 C462	E415-F419 PolarHBondContact O-N 2.82Å; C416-F419 WeakPolarHBondContact O-CB 3.39Å; C416-F419 PolarHBondContact O-N 3.42Å; K417-F419 VanDerWaalsContact C-N 3.29Å; K417-F419 PolarHBondContact O-N 3.48Å; F419-L427 HydrophobicContact CB-CD2 4.15Å; F419-L427 HydrophobicContact CD2-CD2 3.7Å; F419-L427 HydrophobicContact CG-CD2 4.42Å; F419-L458 HydrophobicContact CB-CB 4.17Å; F419-L458 HydrophobicContact CB-CD1 4.09Å; F419-L458 HydrophobicContact CD2-CB 4.07Å; F419-L458 HydrophobicContact CG-CB 4.2Å; F419-T459 HydrophobicContact CE2-CG2 4.48Å; F419-C462 HydrophobicContact CD1-CB 3.75Å; F419-C462 HydrophobicContact CE1-CB 4.15Å; F419-C462 HydrophobicContact CG-CB 4.46Å
420	Q	94.3	Very high	93	Very high	141 Å²	141	67.1 Å²	67.1	66%	0.659	33%	0.331	S	S	*	.	H	α-helix	trans	-75.2	-33.4	177.2	-70.9	174.1	3.7	0	0	112.9	C416 K417 L418	C416-Q420 WeakPolarHBondContact O-CG 3.01Å; C416-Q420 PolarHBondContact O-N 3.36Å; K417-Q420 PolarHBondContact O-N 3.45Å; K417-Q420 VanDerWaalsContact O-N 3.11Å; L418-Q420 VanDerWaalsContact C-N 3.31Å; L418-Q420 PolarHBondContact O-N 3.46Å
421	E	94.8	Very high	93	Very high	125 Å²	125	64.9 Å²	64.9	58%	0.584	31%	0.312	S	S	*	.	H	α-helix	trans	-85.8	-32.4	-175.8	-71	177.8	168.1	0	0	113.4	K417 L418	K417-E421 WeakPolarHBondContact CE-OE1 3.14Å; K417-E421 HydrophobicContact CG-CG 4.38Å; K417-E421 IonicContact NZ-OE1 3.82Å; K417-E421 WeakPolarHBondContact O-CG 3.44Å; K417-E421 PolarHBondContact O-N 3.19Å; L418-E421 PolarHBondContact O-N 3.49Å
422	L	91.2	Very high	92.9	Very high	62 Å²	62	63.3 Å²	63.3	33%	0.325	30%	0.304	S	S	.	.	S	Bend	trans	-98.7	141.1	-175.1	-60.7	179.6	0	0	0	112.3	L418 A426 L427 H430	L418-L422 HydrophobicContact CD2-CD1 4.33Å; L418-L422 VanDerWaalsContact O-CB 3.29Å; L418-L422 WeakPolarHBondContact O-CB 3.37Å; L418-L422 WeakPolarHBondContact O-CG 3.4Å; L418-L422 PolarHBondContact O-N 3.39Å; L422-A426 HydrophobicContact CB-CB 4.32Å; L422-L427 HydrophobicContact CB-CB 4.23Å; L422-L427 HydrophobicContact CD1-CD1 4.2Å; L422-H430 HydrophobicContact CD1-CB 4.47Å
423	E	90.6	Very high	92.7	Very high	161 Å²	161	63.9 Å²	63.9	75%	0.752	31%	0.308	S	S	*	.			trans	-65.7	158.1	166.1	-64.1	-174.6	171.4	0	0	111.2	D425 A426 L427	E423-D425 PolarHBondContact O-N 3.24Å; E423-A426 WeakPolarHBondContact O-CB 3.44Å; E423-A426 PolarHBondContact O-N 2.9Å; E423-L427 PolarHBondContact O-N 2.88Å
424	K	87.5	Confident	92.6	Very high	154 Å²	154	62.2 Å²	62.2	67%	0.67	30%	0.299	S	S	*	.	H	α-helix	trans	-50.2	-50.9	-175.2	-174.5	179.3	178.5	-179.2	0	113.3	A426 L427 Q428 M455	K424-A426 VanDerWaalsContact C-N 3.32Å; K424-A426 PolarHBondContact O-N 3.28Å; K424-L427 PolarHBondContact O-N 3.14Å; K424-Q428 PolarHBondContact O-N 2.88Å; K424-M455 HydrophobicContact CB-CE 4.5Å; K424-M455 HydrophobicContact CG-CE 3.51Å; K424-M455 WeakPolarHBondContact O-CE 3.49Å
425	D	85.9	Confident	92.6	Very high	76 Å²	76	56.8 Å²	56.8	41%	0.406	27%	0.273	S	S	.	.	H	α-helix	trans	-66.1	-36.1	-178.3	-71.5	3.9	0	0	0	111.8	E423 Q428 L429 Q544	E423-D425 PolarHBondContact O-N 3.24Å; D425-Q428 PolarHBondContact O-N 3.34Å; D425-L429 WeakPolarHBondContact O-CB 3.45Å; D425-L429 PolarHBondContact O-N 2.98Å; D425-Q544 PolarHBondContact OD2-NE2 3.19Å
426	A	88.1	Confident	92.6	Very high	42 Å²	42	56.5 Å²	56.5	35%	0.347	27%	0.272	S	S	.	.	H	α-helix	trans	-69.7	-39.2	178	0	0	0	0	0	111.9	L422 E423 K424 L429 H430	L422-A426 HydrophobicContact CB-CB 4.32Å; E423-A426 WeakPolarHBondContact O-CB 3.44Å; E423-A426 PolarHBondContact O-N 2.9Å; K424-A426 VanDerWaalsContact C-N 3.32Å; K424-A426 PolarHBondContact O-N 3.28Å; A426-L429 WeakPolarHBondContact O-CB 3.49Å; A426-L429 PolarHBondContact O-N 2.94Å; A426-H430 PolarHBondContact O-N 2.03Å
427	L	90.8	Very high	92.4	Very high	3 Å²	3	58.9 Å²	58.9	2%	0.016	28%	0.282	C	S	.	.	H	α-helix	trans	-64.9	-40.2	174	-173.7	67.1	0	0	0	111.5	L418 F419 L422 E423 K424 L429 H430 Y431 M455 L458	L418-L427 HydrophobicContact CB-CD1 4.34Å; F419-L427 HydrophobicContact CB-CD2 4.15Å; F419-L427 HydrophobicContact CD2-CD2 3.7Å; F419-L427 HydrophobicContact CG-CD2 4.42Å; L422-L427 HydrophobicContact CB-CB 4.23Å; L422-L427 HydrophobicContact CD1-CD1 4.2Å; E423-L427 PolarHBondContact O-N 2.88Å; K424-L427 PolarHBondContact O-N 3.14Å; L427-L429 VanDerWaalsContact C-N 3.32Å; L427-L429 PolarHBondContact O-N 2.99Å; L427-H430 WeakPolarHBondContact O-CB 3.32Å; L427-H430 PolarHBondContact O-N 2.83Å; L427-Y431 HydrophobicContact CD1-CD2 4.33Å; L427-Y431 HydrophobicContact CD1-CE2 3.91Å; L427-Y431 HydrophobicContact CG-CD2 4.37Å; L427-Y431 HydrophobicContact CG-CE2 4.26Å; L427-Y431 WeakPolarHBondContact O-CD2 3.13Å; L427-Y431 PolarHBondContact O-N 3.36Å; L427-M455 HydrophobicContact CD2-CG 4.38Å; L427-M455 HydrophobicContact CG-CG 4.31Å; L427-L458 HydrophobicContact CD1-CD1 4.33Å; L427-L458 HydrophobicContact CD2-CD1 4.21Å
428	Q	90.3	Very high	92.3	Very high	15 Å²	15	53.9 Å²	53.9	7%	0.07	26%	0.263	C	S	.	.	H	α-helix	trans	-58.6	-48.1	173.6	-166.1	167.6	-3.1	0	0	111.3	K424 D425 H430 Y431 L432 M455 H548	K424-Q428 PolarHBondContact O-N 2.88Å; D425-Q428 PolarHBondContact O-N 3.34Å; Q428-H430 VanDerWaalsContact C-N 3.28Å; Q428-H430 PolarHBondContact O-N 2.96Å; Q428-Y431 PolarHBondContact O-N 2.9Å; Q428-L432 WeakPolarHBondContact O-CB 3.26Å; Q428-L432 PolarHBondContact O-N 3.39Å; Q428-M455 WeakPolarHBondContact CA-SD 3.33Å; Q428-M455 HydrophobicContact CB-CE 3.76Å; Q428-M455 HydrophobicContact CB-SD 3.19Å; Q428-M455 WeakPolarHBondContact CB-SD 3.09Å; Q428-M455 HydrophobicContact CG-CE 4.48Å; Q428-M455 HydrophobicContact CG-SD 3.39Å; Q428-M455 WeakPolarHBondContact CG-SD 3.41Å; Q428-H548 VanDerWaalsContact CD-CE1 3.5Å; Q428-H548 PolarHBondContact NE2-CE1 3.12Å; Q428-H548 VanDerWaalsContact NE2-CE1 3.25Å
429	L	89.9	Confident	92.3	Very high	30 Å²	30	52.1 Å²	52.1	16%	0.157	25%	0.254	C	S	.	.	H	α-helix	trans	-61.6	-38.8	-179.5	-162.2	67.7	0	0	0	111.6	D425 A426 L427 L432 V433 M551	D425-L429 WeakPolarHBondContact O-CB 3.45Å; D425-L429 PolarHBondContact O-N 2.98Å; A426-L429 WeakPolarHBondContact O-CB 3.49Å; A426-L429 PolarHBondContact O-N 2.94Å; L427-L429 VanDerWaalsContact C-N 3.32Å; L427-L429 PolarHBondContact O-N 2.99Å; L429-L432 HydrophobicContact CD1-CD2 4.39Å; L429-L432 PolarHBondContact O-N 3.13Å; L429-V433 WeakPolarHBondContact O-CB 3.5Å; L429-V433 WeakPolarHBondContact O-CG2 3.45Å; L429-V433 PolarHBondContact O-N 3.41Å; L429-M551 HydrophobicContact CD1-CB 3.65Å; L429-M551 HydrophobicContact CD1-CE 4.07Å; L429-M551 HydrophobicContact CD1-CG 3.44Å; L429-M551 VanDerWaalsContact CD1-CG 3.44Å; L429-M551 HydrophobicContact CD1-SD 4.37Å; L429-M551 HydrophobicContact CD2-CE 3.83Å; L429-M551 HydrophobicContact CG-CE 4.27Å; L429-M551 HydrophobicContact CG-CG 4.07Å
430	H	92.1	Very high	92.2	Very high	73 Å²	73	50 Å²	50	34%	0.338	25%	0.245	S	C	.	.	H	α-helix	trans	-55.5	-54	175.3	176.4	89.9	0	0	0	111.5	L422 A426 L427 Q428 V433 K434	L422-H430 HydrophobicContact CD1-CB 4.47Å; A426-H430 PolarHBondContact O-N 2.03Å; L427-H430 WeakPolarHBondContact O-CB 3.32Å; L427-H430 PolarHBondContact O-N 2.83Å; Q428-H430 VanDerWaalsContact C-N 3.28Å; Q428-H430 PolarHBondContact O-N 2.96Å; H430-V433 PolarHBondContact O-N 3.44Å; H430-K434 PolarHBondContact O-N 3.04Å
431	Y	94.7	Very high	92.1	Very high	3 Å²	3	46.8 Å²	46.8	1%	0.012	23%	0.23	C	C	.	.	H	α-helix	trans	-68.4	-36	178.9	-77.7	-71.1	0	0	0	112.8	L427 Q428 V433 K434 F435 M454 M455 L458	L427-Y431 HydrophobicContact CD1-CD2 4.33Å; L427-Y431 HydrophobicContact CD1-CE2 3.91Å; L427-Y431 HydrophobicContact CG-CD2 4.37Å; L427-Y431 HydrophobicContact CG-CE2 4.26Å; L427-Y431 WeakPolarHBondContact O-CD2 3.13Å; L427-Y431 PolarHBondContact O-N 3.36Å; Q428-Y431 PolarHBondContact O-N 2.9Å; Y431-V433 VanDerWaalsContact C-N 3.35Å; Y431-V433 PolarHBondContact O-N 3.42Å; Y431-K434 HydrophobicContact CD1-CD 4.39Å; Y431-K434 PolarHBondContact O-N 2.91Å; Y431-F435 VanDerWaalsContact O-CD2 3.23Å; Y431-F435 WeakPolarHBondContact O-CD2 3.4Å; Y431-F435 PolarHBondContact O-N 2.71Å; Y431-M454 HydrophobicContact CD1-CB 3.75Å; Y431-M454 HydrophobicContact CD1-CE 4.46Å; Y431-M454 HydrophobicContact CD1-CG 3.9Å; Y431-M454 HydrophobicContact CD2-CB 4.04Å; Y431-M454 HydrophobicContact CE1-CB 3.92Å; Y431-M454 HydrophobicContact CE1-CE 3.76Å; Y431-M454 HydrophobicContact CE1-CG 4.12Å; Y431-M454 HydrophobicContact CE2-CB 4.2Å; Y431-M454 HydrophobicContact CG-CB 3.82Å; Y431-M454 HydrophobicContact CG-CG 4.38Å; Y431-M455 HydrophobicContact CD2-CG 4.48Å; Y431-L458 HydrophobicContact CE2-CD1 3.75Å; Y431-L458 WeakPolarHBondContact OH-CD1 3.47Å
432	L	94.6	Very high	92	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-60.1	-45.8	175.6	-173.2	66.1	0	0	0	111.3	Q428 L429 T436 L447 I448 H548 V552	Q428-L432 WeakPolarHBondContact O-CB 3.26Å; Q428-L432 PolarHBondContact O-N 3.39Å; L429-L432 HydrophobicContact CD1-CD2 4.39Å; L429-L432 PolarHBondContact O-N 3.13Å; L432-T436 VanDerWaalsContact O-CB 3.27Å; L432-T436 WeakPolarHBondContact O-CB 3.5Å; L432-T436 PolarHBondContact O-N 3.35Å; L432-T436 PolarHBondContact O-OG1 3.48Å; L432-L447 HydrophobicContact CD1-CB 3.71Å; L432-I448 HydrophobicContact CD1-CG1 4.17Å; L432-H548 HydrophobicContact CD2-CB 3.76Å; L432-V552 HydrophobicContact CD1-CG2 3.72Å; L432-V552 HydrophobicContact CD2-CG2 3.83Å; L432-V552 HydrophobicContact CG-CG2 3.7Å
433	V	92.9	Very high	92	Very high	12 Å²	12	40.6 Å²	40.6	7%	0.073	21%	0.205	C	C	.	.	H	α-helix	trans	-61.3	-47.4	174.1	171.4	0	0	0	0	110.2	L429 H430 Y431 T436 K437 M551 V555	L429-V433 WeakPolarHBondContact O-CB 3.5Å; L429-V433 WeakPolarHBondContact O-CG2 3.45Å; L429-V433 PolarHBondContact O-N 3.41Å; H430-V433 PolarHBondContact O-N 3.44Å; Y431-V433 VanDerWaalsContact C-N 3.35Å; Y431-V433 PolarHBondContact O-N 3.42Å; V433-T436 PolarHBondContact O-N 3Å; V433-K437 WeakPolarHBondContact O-CG 3.06Å; V433-K437 PolarHBondContact O-N 3.03Å; V433-M551 HydrophobicContact CG2-CG 3.71Å; V433-M551 HydrophobicContact CG2-SD 3.97Å; V433-V555 HydrophobicContact CB-CG2 4.34Å; V433-V555 HydrophobicContact CG1-CG1 4.37Å; V433-V555 HydrophobicContact CG1-CG2 3.97Å; V433-V555 HydrophobicContact CG2-CG2 3.95Å
434	K	93.8	Very high	91.9	Very high	63 Å²	63	34.7 Å²	34.7	27%	0.274	18%	0.179	S	C	.	.	H	α-helix	trans	-57.1	-52.2	-179.5	-170.4	-179.1	-173.6	178.3	0	112	H430 Y431 T436 K437 A438 E511	H430-K434 PolarHBondContact O-N 3.04Å; Y431-K434 HydrophobicContact CD1-CD 4.39Å; Y431-K434 PolarHBondContact O-N 2.91Å; K434-T436 VanDerWaalsContact C-N 3.34Å; K434-T436 PolarHBondContact O-N 2.98Å; K434-K437 PolarHBondContact O-N 3.3Å; K434-A438 PolarHBondContact O-N 3.43Å; K434-E511 IonicContact NZ-OE1 3.07Å; K434-E511 PolarHBondContact NZ-OE1 3.42Å; K434-E511 IonicContact NZ-OE2 3.3Å; K434-E511 PolarHBondContact NZ-OE2 3.22Å
435	F	95.8	Very high	92	Very high	15 Å²	15	32.9 Å²	32.9	7%	0.066	17%	0.173	C	C	.	.	H	α-helix	trans	-65.4	-36.5	177.3	-74.5	-59.2	0	0	0	112.6	Y431 K437 A438 A439 L447 L450 M454 V478 L479	Y431-F435 VanDerWaalsContact O-CD2 3.23Å; Y431-F435 WeakPolarHBondContact O-CD2 3.4Å; Y431-F435 PolarHBondContact O-N 2.71Å; F435-K437 VanDerWaalsContact C-N 3.34Å; F435-K437 PolarHBondContact O-N 3.46Å; F435-A438 PolarHBondContact O-N 2.97Å; F435-A439 PolarHBondContact O-N 3.34Å; F435-L447 HydrophobicContact CB-CD2 3.76Å; F435-L450 HydrophobicContact CD2-CB 3.91Å; F435-L450 HydrophobicContact CE2-CB 3.82Å; F435-L450 HydrophobicContact CG-CB 4.34Å; F435-L450 HydrophobicContact CZ-CB 4.18Å; F435-M454 HydrophobicContact CE2-CG 3.6Å; F435-M454 HydrophobicContact CZ-CG 3.66Å; F435-M454 HydrophobicContact CZ-SD 4.4Å; F435-V478 HydrophobicContact CZ-CG1 4.4Å; F435-L479 HydrophobicContact CE1-CD2 4.01Å; F435-L479 HydrophobicContact CZ-CD2 4.42Å
436	T	94.7	Very high	92.2	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.006	16%	0.161	C	C	.	.	H	α-helix	trans	-65.5	-38	178.4	-56.9	0	0	0	0	111.8	L432 V433 K434 P440 L447 V552 V555 K556	L432-T436 VanDerWaalsContact O-CB 3.27Å; L432-T436 WeakPolarHBondContact O-CB 3.5Å; L432-T436 PolarHBondContact O-N 3.35Å; L432-T436 PolarHBondContact O-OG1 3.48Å; V433-T436 PolarHBondContact O-N 3Å; K434-T436 VanDerWaalsContact C-N 3.34Å; K434-T436 PolarHBondContact O-N 2.98Å; T436-P440 WeakPolarHBondContact O-CA 3.33Å; T436-P440 WeakPolarHBondContact O-CB 3.42Å; T436-P440 WeakPolarHBondContact O-CD 3.25Å; T436-P440 VanDerWaalsContact O-N 3.14Å; T436-L447 HydrophobicContact CG2-CD1 4.41Å; T436-V552 HydrophobicContact CG2-CG1 4.11Å; T436-V555 HydrophobicContact CG2-CB 3.84Å; T436-V555 HydrophobicContact CG2-CG1 3.73Å; T436-K556 HydrophobicContact CG2-CG 3.53Å
437	K	92.9	Very high	92.5	Very high	53 Å²	53	28.9 Å²	28.9	23%	0.23	14%	0.144	C	C	.	.	H	α-helix	trans	-63.6	-49.2	174.3	-72.5	-169	-179.2	-145.5	0	111.4	V433 K434 F435 A515 D516 V555 P559	V433-K437 WeakPolarHBondContact O-CG 3.06Å; V433-K437 PolarHBondContact O-N 3.03Å; K434-K437 PolarHBondContact O-N 3.3Å; F435-K437 VanDerWaalsContact C-N 3.34Å; F435-K437 PolarHBondContact O-N 3.46Å; K437-A515 HydrophobicContact CB-CB 4.19Å; K437-A515 VanDerWaalsContact O-CA 3.31Å; K437-A515 WeakPolarHBondContact O-CA 3Å; K437-D516 PolarHBondContact O-N 3.36Å; K437-V555 HydrophobicContact CG-CG1 3.56Å; K437-P559 WeakPolarHBondContact CE-O 3.01Å; K437-P559 PolarHBondContact NZ-O 3.07Å
438	A	94.2	Very high	92.6	Very high	12 Å²	12	29 Å²	29	10%	0.099	15%	0.145	C	C	.	.	H	α-helix	trans	-69.6	-32.5	-176.9	0	0	0	0	0	113.3	K434 F435 N492 V495 L513	K434-A438 PolarHBondContact O-N 3.43Å; F435-A438 PolarHBondContact O-N 2.97Å; A438-N492 PolarHBondContact O-ND2 3.41Å; A438-V495 WeakPolarHBondContact O-CG2 3.38Å; A438-L513 HydrophobicContact CB-CB 3.99Å; A438-L513 HydrophobicContact CB-CD1 4.08Å
439	A	94.6	Very high	92.7	Very high	2 Å²	2	34.3 Å²	34.3	2%	0.017	17%	0.165	C	C	.	.			trans	-142.7	62.5	-171.4	0	0	0	0	0	112.8	F435 Q441 L442 I491 V495	F435-A439 PolarHBondContact O-N 3.34Å; A439-Q441 PolarHBondContact O-N 3.19Å; A439-L442 HydrophobicContact CB-CD1 3.64Å; A439-L442 HydrophobicContact CB-CG 3.85Å; A439-L442 WeakPolarHBondContact O-CG 3.2Å; A439-L442 PolarHBondContact O-N 3.18Å; A439-L442 VanDerWaalsContact O-N 3.13Å; A439-I491 HydrophobicContact CB-CG2 4Å; A439-V495 HydrophobicContact CB-CG2 4.03Å
440	P	93.2	Very high	92.9	Very high	6 Å²	6	33.1 Å²	33.1	4%	0.039	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-13.4	-177.7	27.3	-35.6	0	0	0	113.8	T436 L442 D516 Y519 K556	T436-P440 WeakPolarHBondContact O-CA 3.33Å; T436-P440 WeakPolarHBondContact O-CB 3.42Å; T436-P440 WeakPolarHBondContact O-CD 3.25Å; T436-P440 VanDerWaalsContact O-N 3.14Å; P440-L442 VanDerWaalsContact C-N 3.27Å; P440-L442 PolarHBondContact O-N 3.06Å; P440-D516 HydrophobicContact CG-CB 3.96Å; P440-Y519 HydrophobicContact CB-CD1 4.01Å; P440-Y519 HydrophobicContact CB-CD2 3.82Å; P440-Y519 HydrophobicContact CB-CE1 4.21Å; P440-Y519 HydrophobicContact CB-CE2 4.03Å; P440-Y519 HydrophobicContact CB-CG 3.82Å; P440-Y519 HydrophobicContact CG-CD1 4.17Å; P440-Y519 HydrophobicContact CG-CD2 3.66Å; P440-Y519 HydrophobicContact CG-CE2 4.36Å; P440-Y519 HydrophobicContact CG-CG 3.56Å; P440-K556 HydrophobicContact CB-CG 3.93Å; P440-K556 WeakPolarHBondContact O-CD 3.37Å; P440-K556 WeakPolarHBondContact O-CE 3.33Å; P440-K556 PolarHBondContact O-NZ 3.08Å
441	Q	92.7	Very high	93.1	Very high	74 Å²	74	29.6 Å²	29.6	35%	0.346	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-18.5	175.6	-59.8	80.2	5	0	0	113.3	A439 I491 N492 D516 Y519	A439-Q441 PolarHBondContact O-N 3.19Å; Q441-I491 HydrophobicContact CB-CG2 4.3Å; Q441-I491 WeakPolarHBondContact CG-O 3.43Å; Q441-N492 PolarHBondContact OE1-ND2 2.95Å; Q441-N492 VanDerWaalsContact OE1-ND2 3.1Å; Q441-D516 PolarHBondContact NE2-OD2 3.45Å; Q441-Y519 HydrophobicContact CG-CD2 4.38Å
442	L	92.1	Very high	93	Very high	7 Å²	7	33.7 Å²	33.7	4%	0.037	16%	0.16	C	C	.	.	S	Bend	trans	-69.1	151.2	-180	-61.5	179.6	0	0	0	112	A439 P440 E446 L447 L450 L482 I491 K556	A439-L442 HydrophobicContact CB-CD1 3.64Å; A439-L442 HydrophobicContact CB-CG 3.85Å; A439-L442 WeakPolarHBondContact O-CG 3.2Å; A439-L442 PolarHBondContact O-N 3.18Å; A439-L442 VanDerWaalsContact O-N 3.13Å; P440-L442 VanDerWaalsContact C-N 3.27Å; P440-L442 PolarHBondContact O-N 3.06Å; L442-E446 HydrophobicContact CB-CB 4.41Å; L442-E446 WeakPolarHBondContact CD2-OE2 3.47Å; L442-L447 HydrophobicContact CB-CD1 4.36Å; L442-L447 HydrophobicContact CB-CD2 4.01Å; L442-L447 HydrophobicContact CB-CG 3.86Å; L442-L447 HydrophobicContact CD1-CD2 4Å; L442-L450 HydrophobicContact CD1-CD1 3.87Å; L442-L482 HydrophobicContact CD1-CD1 3.59Å; L442-L482 HydrophobicContact CD2-CD1 4.21Å; L442-I491 HydrophobicContact CD2-CD1 3.93Å; L442-I491 HydrophobicContact CD2-CG1 4.08Å; L442-I491 HydrophobicContact CD2-CG2 4.12Å; L442-I491 HydrophobicContact CG-CG2 4.35Å; L442-K556 PolarHBondContact O-NZ 3.5Å
443	S	90.4	Very high	92.9	Very high	51 Å²	51	34.5 Å²	34.5	36%	0.357	17%	0.169	S	C	.	.			trans	-67.5	156.9	173.4	68	0	0	0	0	111.2	E445 E446 L447	S443-E445 VanDerWaalsContact C-N 3.29Å; S443-E445 PolarHBondContact O-N 2.98Å; S443-E446 PolarHBondContact O-N 3.13Å; S443-E446 WeakPolarHBondContact OG-CB 3.33Å; S443-E446 VanDerWaalsContact OG-CG 3.3Å; S443-E446 WeakPolarHBondContact OG-CG 3.01Å; S443-E446 PolarHBondContact OG-N 3.28Å; S443-E446 PolarHBondContact OG-OE1 3.26Å; S443-L447 WeakPolarHBondContact O-CG 3.31Å; S443-L447 PolarHBondContact O-N 3.15Å
444	L	88.4	Confident	93.1	Very high	37 Å²	37	34.1 Å²	34.1	19%	0.194	17%	0.166	C	C	.	.	H	α-helix	trans	-56.1	-45.2	176.5	174.8	61.4	0	0	0	111.5	E446 L447 I448 H548 R549 V552	L444-E446 VanDerWaalsContact C-N 3.32Å; L444-E446 PolarHBondContact O-N 3.42Å; L444-L447 PolarHBondContact O-N 3.4Å; L444-I448 HydrophobicContact CD1-CD1 3.78Å; L444-I448 HydrophobicContact CD1-CG1 4.07Å; L444-I448 HydrophobicContact CD2-CD1 4.48Å; L444-I448 HydrophobicContact CG-CD1 3.8Å; L444-I448 HydrophobicContact CG-CG1 4.45Å; L444-I448 WeakPolarHBondContact O-CG1 3.15Å; L444-I448 PolarHBondContact O-N 3.46Å; L444-H548 HydrophobicContact CD1-CB 4.4Å; L444-R549 HydrophobicContact CD2-CB 3.64Å; L444-R549 HydrophobicContact CD2-CG 4.04Å; L444-V552 HydrophobicContact CD1-CB 3.95Å; L444-V552 HydrophobicContact CD1-CG1 4.29Å; L444-V552 HydrophobicContact CD1-CG2 3.63Å
445	E	89.6	Confident	93.1	Very high	116 Å²	116	31.6 Å²	31.6	54%	0.542	16%	0.155	S	C	.	.	H	α-helix	trans	-62.2	-39	-179.5	-62	-54.1	143.9	0	0	112.3	S443 Y449	S443-E445 VanDerWaalsContact C-N 3.29Å; S443-E445 PolarHBondContact O-N 2.98Å; E445-Y449 VanDerWaalsContact O-CB 3.26Å; E445-Y449 WeakPolarHBondContact O-CB 3.23Å; E445-Y449 PolarHBondContact O-N 3.4Å
446	E	91.4	Very high	92.9	Very high	34 Å²	34	36 Å²	36	16%	0.159	18%	0.176	C	C	.	.	H	α-helix	trans	-67.3	-44.1	175.6	-77.7	168.1	-119	0	0	112.2	K132 L442 S443 L444 I448 Y449 L450 R489	K132-E446 WeakPolarHBondContact CD-OE1 3.47Å; K132-E446 WeakPolarHBondContact CE-OE1 3.37Å; K132-E446 WeakPolarHBondContact CE-OE2 3.39Å; K132-E446 IonicContact NZ-OE1 3.57Å; K132-E446 PolarHBondContact NZ-OE1 3.5Å; K132-E446 IonicContact NZ-OE2 3.95Å; K132-E446 PolarHBondContact NZ-OE2 3.36Å; L442-E446 HydrophobicContact CB-CB 4.41Å; L442-E446 WeakPolarHBondContact CD2-OE2 3.47Å; S443-E446 PolarHBondContact O-N 3.13Å; S443-E446 WeakPolarHBondContact OG-CB 3.33Å; S443-E446 VanDerWaalsContact OG-CG 3.3Å; S443-E446 WeakPolarHBondContact OG-CG 3.01Å; S443-E446 PolarHBondContact OG-N 3.28Å; S443-E446 PolarHBondContact OG-OE1 3.26Å; L444-E446 VanDerWaalsContact C-N 3.32Å; L444-E446 PolarHBondContact O-N 3.42Å; E446-I448 VanDerWaalsContact C-N 3.31Å; E446-I448 PolarHBondContact O-N 3.14Å; E446-Y449 PolarHBondContact O-N 2.05Å; E446-L450 VanDerWaalsContact O-CG 3.25Å; E446-L450 WeakPolarHBondContact O-CG 3.22Å; E446-L450 PolarHBondContact O-N 3.07Å; E446-R489 IonicContact OE2-CZ 3.83Å; E446-R489 IonicContact OE2-NH1 2.87Å; E446-R489 IonicContact OE2-NH2 3.48Å; E446-R489 PolarHBondContact OE2-NH2 2.92Å
447	L	94.7	Very high	92.9	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-62.2	-41.3	177.4	-70.4	166.5	0	0	0	111.1	L432 F435 T436 L442 S443 L444 S451 V552	L432-L447 HydrophobicContact CD1-CB 3.71Å; F435-L447 HydrophobicContact CB-CD2 3.76Å; T436-L447 HydrophobicContact CG2-CD1 4.41Å; L442-L447 HydrophobicContact CB-CD1 4.36Å; L442-L447 HydrophobicContact CB-CD2 4.01Å; L442-L447 HydrophobicContact CB-CG 3.86Å; L442-L447 HydrophobicContact CD1-CD2 4Å; S443-L447 WeakPolarHBondContact O-CG 3.31Å; S443-L447 PolarHBondContact O-N 3.15Å; L444-L447 PolarHBondContact O-N 3.4Å; L447-S451 WeakPolarHBondContact O-CB 3.49Å; L447-S451 PolarHBondContact O-N 3.36Å; L447-S451 PolarHBondContact O-OG 3.14Å; L447-V552 HydrophobicContact CD1-CG1 3.72Å; L447-V552 HydrophobicContact CD1-CG2 4.25Å
448	I	92.4	Very high	93	Very high	4 Å²	4	33.6 Å²	33.6	2%	0.021	17%	0.166	C	C	.	.	H	α-helix	trans	-63.5	-46.6	173.8	-69.6	171.9	0	0	0	110.4	L432 L444 E446 L450 S451 K452 H548	L432-I448 HydrophobicContact CD1-CG1 4.17Å; L444-I448 HydrophobicContact CD1-CD1 3.78Å; L444-I448 HydrophobicContact CD1-CG1 4.07Å; L444-I448 HydrophobicContact CD2-CD1 4.48Å; L444-I448 HydrophobicContact CG-CD1 3.8Å; L444-I448 HydrophobicContact CG-CG1 4.45Å; L444-I448 WeakPolarHBondContact O-CG1 3.15Å; L444-I448 PolarHBondContact O-N 3.46Å; E446-I448 VanDerWaalsContact C-N 3.31Å; E446-I448 PolarHBondContact O-N 3.14Å; I448-L450 PolarHBondContact O-N 3.5Å; I448-S451 WeakPolarHBondContact CA-OG 3.33Å; I448-S451 PolarHBondContact O-N 3.34Å; I448-S451 PolarHBondContact O-OG 2.92Å; I448-K452 HydrophobicContact CG2-CD 4.07Å; I448-K452 HydrophobicContact CG2-CG 4.47Å; I448-K452 WeakPolarHBondContact O-CG 3.5Å; I448-K452 PolarHBondContact O-N 3.06Å; I448-H548 HydrophobicContact CD1-CB 3.75Å; I448-H548 HydrophobicContact CG1-CB 4.03Å
449	Y	91.8	Very high	93	Very high	127 Å²	127	35.6 Å²	35.6	50%	0.498	18%	0.178	S	C	.	.	H	α-helix	trans	-58	-49	179.2	174.8	-100.5	0	0	0	112.1	E445 E446 K452 G453 D481	E445-Y449 VanDerWaalsContact O-CB 3.26Å; E445-Y449 WeakPolarHBondContact O-CB 3.23Å; E445-Y449 PolarHBondContact O-N 3.4Å; E446-Y449 PolarHBondContact O-N 2.05Å; Y449-K452 PolarHBondContact O-N 3.36Å; Y449-G453 PolarHBondContact O-N 2.96Å; Y449-D481 HydrophobicContact CE1-CB 4.45Å; Y449-D481 PolarHBondContact OH-OD2 3.4Å
450	L	94.3	Very high	92.8	Very high	5 Å²	5	36.3 Å²	36.3	3%	0.026	18%	0.181	C	C	.	.	H	α-helix	trans	-64.4	-42.2	178.6	-64.9	165.9	0	0	0	111.9	F435 L442 E446 I448 K452 G453 M454 V478 L482	F435-L450 HydrophobicContact CD2-CB 3.91Å; F435-L450 HydrophobicContact CE2-CB 3.82Å; F435-L450 HydrophobicContact CG-CB 4.34Å; F435-L450 HydrophobicContact CZ-CB 4.18Å; L442-L450 HydrophobicContact CD1-CD1 3.87Å; E446-L450 VanDerWaalsContact O-CG 3.25Å; E446-L450 WeakPolarHBondContact O-CG 3.22Å; E446-L450 PolarHBondContact O-N 3.07Å; I448-L450 PolarHBondContact O-N 3.5Å; L450-K452 VanDerWaalsContact C-N 3.33Å; L450-K452 PolarHBondContact O-N 2.93Å; L450-G453 PolarHBondContact O-N 2.87Å; L450-M454 PolarHBondContact O-N 3.5Å; L450-M454 VanDerWaalsContact O-N 3.08Å; L450-V478 HydrophobicContact CB-CG1 4.31Å; L450-V478 HydrophobicContact CD2-CG1 3.77Å; L450-V478 WeakPolarHBondContact CD2-O 3.41Å; L450-L482 HydrophobicContact CD1-CB 4.37Å; L450-L482 HydrophobicContact CD1-CD1 3.83Å; L450-L482 HydrophobicContact CD1-CG 4.47Å; L450-L482 HydrophobicContact CD2-CB 3.92Å
451	S	95.4	Very high	92.9	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-60.6	-42.3	176.8	71.5	0	0	0	0	112.1	L447 I448 M454 M455	L447-S451 WeakPolarHBondContact O-CB 3.49Å; L447-S451 PolarHBondContact O-N 3.36Å; L447-S451 PolarHBondContact O-OG 3.14Å; I448-S451 WeakPolarHBondContact CA-OG 3.33Å; I448-S451 PolarHBondContact O-N 3.34Å; I448-S451 PolarHBondContact O-OG 2.92Å; S451-M454 PolarHBondContact O-N 3.18Å; S451-M455 WeakPolarHBondContact O-CG 3.41Å; S451-M455 PolarHBondContact O-N 3.23Å; S451-M455 VanDerWaalsContact O-N 3.15Å
452	K	93.4	Very high	93	Very high	88 Å²	88	32.7 Å²	32.7	38%	0.383	16%	0.164	S	C	.	.	H	α-helix	trans	-65.2	-40.9	175.6	-73.3	178	179.1	173.9	0	111.5	I448 Y449 L450 M454 M455 E456	I448-K452 HydrophobicContact CG2-CD 4.07Å; I448-K452 HydrophobicContact CG2-CG 4.47Å; I448-K452 WeakPolarHBondContact O-CG 3.5Å; I448-K452 PolarHBondContact O-N 3.06Å; Y449-K452 PolarHBondContact O-N 3.36Å; L450-K452 VanDerWaalsContact C-N 3.33Å; L450-K452 PolarHBondContact O-N 2.93Å; K452-M454 PolarHBondContact O-N 3.43Å; K452-M455 WeakPolarHBondContact O-CB 3.01Å; K452-M455 PolarHBondContact O-N 2.84Å; K452-E456 WeakPolarHBondContact O-CB 3.39Å; K452-E456 WeakPolarHBondContact O-CG 3.03Å; K452-E456 PolarHBondContact O-N 3.4Å
453	G	93.6	Very high	92.9	Very high	17 Å²	17	37.5 Å²	37.5	18%	0.175	19%	0.194	C	C	.	.	H	α-helix	trans	-56.6	-47.4	176.1	0	0	0	0	0	112.4	Y449 L450 M455 E456 A457	Y449-G453 PolarHBondContact O-N 2.96Å; L450-G453 PolarHBondContact O-N 2.87Å; G453-M455 PolarHBondContact O-N 3.07Å; G453-E456 PolarHBondContact O-N 2.87Å; G453-A457 PolarHBondContact O-N 2.96Å
454	M	95.3	Very high	92.9	Very high	5 Å²	5	37 Å²	37	3%	0.025	19%	0.187	C	C	.	.	H	α-helix	trans	-62.3	-42	176.2	-69.9	-57.3	-65	0	0	112.3	Y431 F435 L450 S451 K452 A457 L458 A475 V478	Y431-M454 HydrophobicContact CD1-CB 3.75Å; Y431-M454 HydrophobicContact CD1-CE 4.46Å; Y431-M454 HydrophobicContact CD1-CG 3.9Å; Y431-M454 HydrophobicContact CD2-CB 4.04Å; Y431-M454 HydrophobicContact CE1-CB 3.92Å; Y431-M454 HydrophobicContact CE1-CE 3.76Å; Y431-M454 HydrophobicContact CE1-CG 4.12Å; Y431-M454 HydrophobicContact CE2-CB 4.2Å; Y431-M454 HydrophobicContact CG-CB 3.82Å; Y431-M454 HydrophobicContact CG-CG 4.38Å; F435-M454 HydrophobicContact CE2-CG 3.6Å; F435-M454 HydrophobicContact CZ-CG 3.66Å; F435-M454 HydrophobicContact CZ-SD 4.4Å; L450-M454 PolarHBondContact O-N 3.5Å; L450-M454 VanDerWaalsContact O-N 3.08Å; S451-M454 PolarHBondContact O-N 3.18Å; K452-M454 PolarHBondContact O-N 3.43Å; M454-A457 WeakPolarHBondContact O-CB 3.48Å; M454-A457 PolarHBondContact O-N 3.02Å; M454-L458 WeakPolarHBondContact O-CG 3.19Å; M454-L458 PolarHBondContact O-N 3Å; M454-L458 VanDerWaalsContact O-N 3.13Å; M454-A475 HydrophobicContact CE-CB 3.83Å; M454-A475 HydrophobicContact SD-CB 3.99Å; M454-V478 HydrophobicContact CG-CG1 4.19Å; M454-V478 HydrophobicContact SD-CB 4.11Å; M454-V478 HydrophobicContact SD-CG1 4.19Å; M454-V478 HydrophobicContact SD-CG2 4.26Å
455	M	94.3	Very high	92.8	Very high	9 Å²	9	41.2 Å²	41.2	4%	0.044	22%	0.22	C	C	.	.	H	α-helix	trans	-64.6	-40.4	176.1	-66.5	172.7	76.6	0	0	113	K424 L427 Q428 Y431 S451 K452 G453 A457 L458 T459	K424-M455 HydrophobicContact CB-CE 4.5Å; K424-M455 HydrophobicContact CG-CE 3.51Å; K424-M455 WeakPolarHBondContact O-CE 3.49Å; L427-M455 HydrophobicContact CD2-CG 4.38Å; L427-M455 HydrophobicContact CG-CG 4.31Å; Q428-M455 WeakPolarHBondContact CA-SD 3.33Å; Q428-M455 HydrophobicContact CB-CE 3.76Å; Q428-M455 HydrophobicContact CB-SD 3.19Å; Q428-M455 WeakPolarHBondContact CB-SD 3.09Å; Q428-M455 HydrophobicContact CG-CE 4.48Å; Q428-M455 HydrophobicContact CG-SD 3.39Å; Q428-M455 WeakPolarHBondContact CG-SD 3.41Å; Y431-M455 HydrophobicContact CD2-CG 4.48Å; S451-M455 WeakPolarHBondContact O-CG 3.41Å; S451-M455 PolarHBondContact O-N 3.23Å; S451-M455 VanDerWaalsContact O-N 3.15Å; K452-M455 WeakPolarHBondContact O-CB 3.01Å; K452-M455 PolarHBondContact O-N 2.84Å; G453-M455 PolarHBondContact O-N 3.07Å; M455-A457 VanDerWaalsContact C-N 3.28Å; M455-L458 PolarHBondContact O-N 3.36Å; M455-T459 VanDerWaalsContact O-CB 3.3Å; M455-T459 WeakPolarHBondContact O-CB 3.37Å; M455-T459 PolarHBondContact O-N 2.93Å; M455-T459 PolarHBondContact O-OG1 3.4Å
456	E	92.4	Very high	92.8	Very high	108 Å²	108	40 Å²	40	51%	0.505	21%	0.214	S	C	.	.	H	α-helix	trans	-62.7	-39.2	177.5	-76.4	176	-170.7	0	0	110.1	K452 G453 T460	K452-E456 WeakPolarHBondContact O-CB 3.39Å; K452-E456 WeakPolarHBondContact O-CG 3.03Å; K452-E456 PolarHBondContact O-N 3.4Å; G453-E456 PolarHBondContact O-N 2.87Å; E456-T460 WeakPolarHBondContact O-CB 3.1Å; E456-T460 PolarHBondContact O-N 3.08Å; E456-T460 PolarHBondContact O-OG1 3.45Å
457	A	93.8	Very high	92.8	Very high	3 Å²	3	41 Å²	41	3%	0.025	22%	0.219	C	C	.	.	H	α-helix	trans	-58.1	-52.4	172.4	0	0	0	0	0	111.8	G453 M454 M455 T459 T460 C461 L474	G453-A457 PolarHBondContact O-N 2.96Å; M454-A457 WeakPolarHBondContact O-CB 3.48Å; M454-A457 PolarHBondContact O-N 3.02Å; M455-A457 VanDerWaalsContact C-N 3.28Å; A457-T459 PolarHBondContact O-N 3.5Å; A457-T460 PolarHBondContact O-N 3.38Å; A457-C461 VanDerWaalsContact O-CB 3.24Å; A457-C461 WeakPolarHBondContact O-CB 3.48Å; A457-C461 PolarHBondContact O-N 3.31Å; A457-C461 PolarHBondContact O-SG 3.42Å; A457-L474 HydrophobicContact CB-CB 3.59Å; A457-L474 HydrophobicContact CB-CD1 4.31Å
458	L	95.6	Very high	92.8	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-64.8	-43.8	-179.8	-61.2	-176.9	0	0	0	112.8	E415 F419 L427 Y431 M454 M455 T460 C461 C462 V471	E415-L458 HydrophobicContact CB-CD1 4.27Å; E415-L458 HydrophobicContact CB-CD2 3.77Å; F419-L458 HydrophobicContact CB-CB 4.17Å; F419-L458 HydrophobicContact CB-CD1 4.09Å; F419-L458 HydrophobicContact CD2-CB 4.07Å; F419-L458 HydrophobicContact CG-CB 4.2Å; L427-L458 HydrophobicContact CD1-CD1 4.33Å; L427-L458 HydrophobicContact CD2-CD1 4.21Å; Y431-L458 HydrophobicContact CE2-CD1 3.75Å; Y431-L458 WeakPolarHBondContact OH-CD1 3.47Å; M454-L458 WeakPolarHBondContact O-CG 3.19Å; M454-L458 PolarHBondContact O-N 3Å; M454-L458 VanDerWaalsContact O-N 3.13Å; M455-L458 PolarHBondContact O-N 3.36Å; L458-T460 PolarHBondContact O-N 2.92Å; L458-C461 PolarHBondContact O-N 3.44Å; L458-C462 VanDerWaalsContact O-CB 3.29Å; L458-C462 WeakPolarHBondContact O-CB 3.45Å; L458-C462 PolarHBondContact O-N 2.86Å; L458-C462 PolarHBondContact O-SG 3.38Å; L458-C462 VanDerWaalsContact O-SG 3.4Å; L458-V471 HydrophobicContact CD2-CG1 3.79Å; L458-V471 HydrophobicContact CD2-CG2 4.08Å
459	T	93.6	Very high	92.9	Very high	55 Å²	55	41.7 Å²	41.7	34%	0.337	22%	0.222	S	C	.	.	H	α-helix	trans	-60.5	-38.4	178.5	-56.5	0	0	0	0	111	I7 F419 M455 A457	I7-T459 HydrophobicContact CG2-CG2 4.34Å; F419-T459 HydrophobicContact CE2-CG2 4.48Å; M455-T459 VanDerWaalsContact O-CB 3.3Å; M455-T459 WeakPolarHBondContact O-CB 3.37Å; M455-T459 PolarHBondContact O-N 2.93Å; M455-T459 PolarHBondContact O-OG1 3.4Å; A457-T459 PolarHBondContact O-N 3.5Å
460	T	90.4	Very high	93.1	Very high	16 Å²	16	37 Å²	37	10%	0.098	21%	0.207	C	C	.	.	H	α-helix	trans	-72.1	-38.6	179	-58.6	0	0	0	0	111.5	I7 G8 E456 A457 L458 L464 L474	I7-T460 WeakPolarHBondContact O-CA 3.34Å; G8-T460 WeakPolarHBondContact CA-O 3.47Å; E456-T460 WeakPolarHBondContact O-CB 3.1Å; E456-T460 PolarHBondContact O-N 3.08Å; E456-T460 PolarHBondContact O-OG1 3.45Å; A457-T460 PolarHBondContact O-N 3.38Å; L458-T460 PolarHBondContact O-N 2.92Å; T460-L464 WeakPolarHBondContact O-CD1 3.3Å; T460-L474 HydrophobicContact CG2-CD1 4.11Å
461	C	95.4	Very high	93.3	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-107.9	-33.9	-161.7	-61.3	0	0	0	0	115.7	A457 L458 T463 L464 C470 V471 L474	A457-C461 VanDerWaalsContact O-CB 3.24Å; A457-C461 WeakPolarHBondContact O-CB 3.48Å; A457-C461 PolarHBondContact O-N 3.31Å; A457-C461 PolarHBondContact O-SG 3.42Å; L458-C461 PolarHBondContact O-N 3.44Å; C461-T463 PolarHBondContact O-N 3.41Å; C461-L464 WeakPolarHBondContact O-CB 3.44Å; C461-L464 PolarHBondContact O-N 3.01Å; C461-C470 VanDerWaalsContact CA-SG 3.57Å; C461-C470 HydrophobicContact CB-CB 3.49Å; C461-C470 VanDerWaalsContact CB-CB 3.49Å; C461-C470 WeakPolarHBondContact CB-SG 3.27Å; C461-C470 WeakPolarHBondContact SG-CB 3.28Å; C461-C470 PolarHBondContact SG-O 2.75Å; C461-C470 VanDerWaalsContact SG-O 3.33Å; C461-C470 CovalentContact SG-SG 2.03Å; C461-C470 PolarHBondContact SG-SG 3.24Å; C461-V471 HydrophobicContact CB-CB 4.36Å; C461-V471 HydrophobicContact CB-CG2 3.39Å; C461-V471 PolarHBondContact SG-N 3.24Å; C461-L474 VanDerWaalsContact SG-CD1 3.55Å
462	C	94.6	Very high	93.4	Very high	4 Å²	4	36.7 Å²	36.7	3%	0.027	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	1.6	-169.2	-68.5	0	0	0	0	115.4	C416 F419 L458	C416-C462 WeakPolarHBondContact CA-SG 3.33Å; C416-C462 HydrophobicContact CB-CB 3.68Å; C416-C462 WeakPolarHBondContact CB-SG 3.22Å; C416-C462 VanDerWaalsContact SG-CA 3.52Å; C416-C462 WeakPolarHBondContact SG-CB 3.46Å; C416-C462 CovalentContact SG-SG 2.05Å; C416-C462 PolarHBondContact SG-SG 2.94Å; F419-C462 HydrophobicContact CD1-CB 3.75Å; F419-C462 HydrophobicContact CE1-CB 4.15Å; F419-C462 HydrophobicContact CG-CB 4.46Å; L458-C462 VanDerWaalsContact O-CB 3.29Å; L458-C462 WeakPolarHBondContact O-CB 3.45Å; L458-C462 PolarHBondContact O-N 2.86Å; L458-C462 PolarHBondContact O-SG 3.38Å; L458-C462 VanDerWaalsContact O-SG 3.4Å
463	T	90.9	Very high	93.5	Very high	108 Å²	108	34.6 Å²	34.6	66%	0.663	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-113.6	2.4	174.2	63.1	0	0	0	0	112.8	C461	C461-T463 PolarHBondContact O-N 3.41Å
464	L	90.2	Very high	93.6	Very high	41 Å²	41	36.5 Å²	36.5	22%	0.215	21%	0.205	C	C	.	.	S	Bend	trans	-93.3	156.1	-178.7	-56.3	-178.8	0	0	0	111.1	G8 F9 T460 C461 E466 E467 C470	G8-L464 WeakPolarHBondContact O-CD1 3.33Å; F9-L464 HydrophobicContact CE2-CD2 4.32Å; T460-L464 WeakPolarHBondContact O-CD1 3.3Å; C461-L464 WeakPolarHBondContact O-CB 3.44Å; C461-L464 PolarHBondContact O-N 3.01Å; L464-E466 PolarHBondContact O-N 3.02Å; L464-E467 PolarHBondContact O-N 3.15Å; L464-C470 HydrophobicContact CD1-CB 4.45Å
465	S	86.9	Confident	93.7	Very high	126 Å²	126	36.3 Å²	36.3	88%	0.881	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-26.7	170.9	53.4	0	0	0	0	113	E467	S465-E467 VanDerWaalsContact C-N 3.33Å
466	E	87.6	Confident	93.8	Very high	89 Å²	89	36.1 Å²	36.1	42%	0.416	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	35.1	176	-62.5	-173.3	-169.2	0	0	111.4	K319 L464 F468 A469 C470	K319-E466 IonicContact NZ-OE2 3.66Å; K319-E466 PolarHBondContact NZ-OE2 3.44Å; L464-E466 PolarHBondContact O-N 3.02Å; E466-F468 PolarHBondContact O-N 2.05Å; E466-A469 PolarHBondContact O-N 3.41Å; E466-C470 WeakPolarHBondContact O-CB 3.4Å; E466-C470 PolarHBondContact O-N 2.92Å; E466-C470 VanDerWaalsContact O-N 3.07Å
467	E	92.8	Very high	94	Very high	56 Å²	56	32.3 Å²	32.3	26%	0.262	19%	0.186	S	C	.	.	H	α-helix	trans	-51	-43	-175.4	65.5	176.9	-163.6	0	0	112.5	L464 S465 C470 V471	L464-E467 PolarHBondContact O-N 3.15Å; S465-E467 VanDerWaalsContact C-N 3.33Å; E467-C470 PolarHBondContact O-N 3.37Å; E467-V471 WeakPolarHBondContact O-CB 3.07Å; E467-V471 VanDerWaalsContact O-CG2 3.32Å; E467-V471 WeakPolarHBondContact O-CG2 3.41Å; E467-V471 PolarHBondContact O-N 3.1Å
468	F	94.9	Very high	94.1	Very high	18 Å²	18	32.7 Å²	32.7	8%	0.079	19%	0.188	C	C	.	.	H	α-helix	trans	-58.5	-58.4	-178.4	172.7	-109.7	0	0	0	112.3	L365 E369 L409 V412 E466 C470 D472	L365-F468 HydrophobicContact CB-CE1 4.44Å; L365-F468 HydrophobicContact CD2-CD1 4.08Å; L365-F468 HydrophobicContact CD2-CE1 3.65Å; E369-F468 HydrophobicContact CB-CE1 4.16Å; E369-F468 HydrophobicContact CB-CZ 4Å; E369-F468 HydrophobicContact CG-CE1 4Å; E369-F468 HydrophobicContact CG-CZ 3.83Å; L409-F468 HydrophobicContact CB-CD2 4.28Å; L409-F468 HydrophobicContact CB-CE2 4.41Å; L409-F468 HydrophobicContact CD1-CB 4.03Å; L409-F468 HydrophobicContact CD1-CD2 3.95Å; L409-F468 HydrophobicContact CD1-CG 4.15Å; V412-F468 HydrophobicContact CB-CD2 4.3Å; V412-F468 HydrophobicContact CG2-CD2 3.96Å; V412-F468 HydrophobicContact CG2-CE2 4.34Å; E466-F468 PolarHBondContact O-N 2.05Å; F468-C470 VanDerWaalsContact C-N 3.33Å; F468-C470 PolarHBondContact O-N 3.04Å; F468-D472 WeakPolarHBondContact O-CB 3.21Å; F468-D472 PolarHBondContact O-N 3.29Å; F468-D472 VanDerWaalsContact O-N 3.1Å
469	A	94.8	Very high	94.1	Very high	1 Å²	1	33 Å²	33	1%	0.008	19%	0.19	C	C	.	.	H	α-helix	trans	-62.1	-43.7	-178.8	0	0	0	0	0	111.8	H364 E466 D473	H364-A469 VanDerWaalsContact O-CB 3.28Å; H364-A469 WeakPolarHBondContact O-CB 3.49Å; E466-A469 PolarHBondContact O-N 3.41Å; A469-D473 VanDerWaalsContact O-CB 3.26Å; A469-D473 WeakPolarHBondContact O-CB 3.36Å; A469-D473 PolarHBondContact O-N 2.98Å
470	C	95.6	Very high	94.1	Very high	27 Å²	27	30.5 Å²	30.5	18%	0.182	18%	0.175	C	C	.	.	H	α-helix	trans	-64.2	-48.7	-176.7	-175.8	0	0	0	0	111.8	C461 L464 E466 E467 F468 L474	C461-C470 VanDerWaalsContact CA-SG 3.57Å; C461-C470 HydrophobicContact CB-CB 3.49Å; C461-C470 VanDerWaalsContact CB-CB 3.49Å; C461-C470 WeakPolarHBondContact CB-SG 3.27Å; C461-C470 WeakPolarHBondContact SG-CB 3.28Å; C461-C470 PolarHBondContact SG-O 2.75Å; C461-C470 VanDerWaalsContact SG-O 3.33Å; C461-C470 CovalentContact SG-SG 2.03Å; C461-C470 PolarHBondContact SG-SG 3.24Å; L464-C470 HydrophobicContact CD1-CB 4.45Å; E466-C470 WeakPolarHBondContact O-CB 3.4Å; E466-C470 PolarHBondContact O-N 2.92Å; E466-C470 VanDerWaalsContact O-N 3.07Å; E467-C470 PolarHBondContact O-N 3.37Å; F468-C470 VanDerWaalsContact C-N 3.33Å; F468-C470 PolarHBondContact O-N 3.04Å; C470-L474 WeakPolarHBondContact O-CB 3.48Å; C470-L474 WeakPolarHBondContact O-CG 3.4Å; C470-L474 PolarHBondContact O-N 3.12Å
471	V	97.3	Very high	94.2	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-63.7	-46.6	179	173.3	0	0	0	0	110.5	V412 E415 L458 C461 E467 L474 A475	V412-V471 HydrophobicContact CB-CG1 4.49Å; V412-V471 HydrophobicContact CG1-CB 3.73Å; V412-V471 HydrophobicContact CG1-CG1 4Å; V412-V471 HydrophobicContact CG1-CG2 3.88Å; V412-V471 HydrophobicContact CG2-CB 4.12Å; V412-V471 HydrophobicContact CG2-CG1 3.97Å; E415-V471 WeakPolarHBondContact OE2-CG1 3Å; L458-V471 HydrophobicContact CD2-CG1 3.79Å; L458-V471 HydrophobicContact CD2-CG2 4.08Å; C461-V471 HydrophobicContact CB-CB 4.36Å; C461-V471 HydrophobicContact CB-CG2 3.39Å; C461-V471 PolarHBondContact SG-N 3.24Å; E467-V471 WeakPolarHBondContact O-CB 3.07Å; E467-V471 VanDerWaalsContact O-CG2 3.32Å; E467-V471 WeakPolarHBondContact O-CG2 3.41Å; E467-V471 PolarHBondContact O-N 3.1Å; V471-L474 PolarHBondContact O-N 2.77Å; V471-A475 WeakPolarHBondContact O-CB 3.34Å; V471-A475 PolarHBondContact O-N 3.48Å
472	D	97.5	Very high	94.1	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-68.2	-39.9	-175.9	-169.1	55.6	0	0	0	112.8	S366 R372 F468 D476 R507	S366-D472 VanDerWaalsContact CB-OD2 3.32Å; S366-D472 WeakPolarHBondContact CB-OD2 3.24Å; S366-D472 PolarHBondContact OG-OD2 2.74Å; R372-D472 IonicContact CZ-OD2 3.11Å; R372-D472 IonicContact NH1-OD2 3.29Å; R372-D472 IonicContact NH2-OD1 2.98Å; R372-D472 IonicContact NH2-OD2 3.72Å; R372-D472 PolarHBondContact NH2-OD2 2.94Å; F468-D472 WeakPolarHBondContact O-CB 3.21Å; F468-D472 PolarHBondContact O-N 3.29Å; F468-D472 VanDerWaalsContact O-N 3.1Å; D472-D476 WeakPolarHBondContact O-CB 3.05Å; D472-D476 PolarHBondContact O-N 3.11Å; D472-D476 VanDerWaalsContact O-N 3.15Å; D472-R507 VanDerWaalsContact CA-NH1 3.3Å; D472-R507 WeakPolarHBondContact OD1-CD 3.04Å; D472-R507 IonicContact OD1-CZ 3.43Å; D472-R507 IonicContact OD1-NE 2.62Å; D472-R507 IonicContact OD1-NH1 2.92Å; D472-R507 PolarHBondContact OD1-NH1 3.45Å
473	D	96	Very high	94.1	Very high	44 Å²	44	31.5 Å²	31.5	24%	0.235	18%	0.18	C	C	.	.	H	α-helix	trans	-62.3	-50	173.4	-77.7	-33.7	0	0	0	110.7	K245 S366 T367 P368 A469 D476 L477	K245-D473 IonicContact NZ-OD2 3.1Å; S366-D473 WeakPolarHBondContact CB-OD1 3.37Å; T367-D473 WeakPolarHBondContact CB-OD1 3.44Å; T367-D473 PolarHBondContact N-OD1 3Å; T367-D473 PolarHBondContact OG1-OD1 3.45Å; P368-D473 WeakPolarHBondContact CD-OD1 3.4Å; A469-D473 VanDerWaalsContact O-CB 3.26Å; A469-D473 WeakPolarHBondContact O-CB 3.36Å; A469-D473 PolarHBondContact O-N 2.98Å; D473-D476 PolarHBondContact O-N 2.9Å; D473-L477 WeakPolarHBondContact O-CG 3.4Å; D473-L477 PolarHBondContact O-N 3.42Å
474	L	96.1	Very high	94.1	Very high	57 Å²	57	26.8 Å²	26.8	30%	0.298	15%	0.153	S	C	.	.	H	α-helix	trans	-70.7	-36.9	-176.8	-68.4	-173.3	0	0	0	113.4	A457 T460 C461 C470 V471 D476 L477 V478	A457-L474 HydrophobicContact CB-CB 3.59Å; A457-L474 HydrophobicContact CB-CD1 4.31Å; T460-L474 HydrophobicContact CG2-CD1 4.11Å; C461-L474 VanDerWaalsContact SG-CD1 3.55Å; C470-L474 WeakPolarHBondContact O-CB 3.48Å; C470-L474 WeakPolarHBondContact O-CG 3.4Å; C470-L474 PolarHBondContact O-N 3.12Å; V471-L474 PolarHBondContact O-N 2.77Å; L474-D476 VanDerWaalsContact C-N 3.32Å; L474-L477 HydrophobicContact CD2-CD1 4.03Å; L474-L477 WeakPolarHBondContact O-CB 3.26Å; L474-L477 PolarHBondContact O-N 3.32Å; L474-V478 PolarHBondContact O-N 3.23Å
475	A	96.4	Very high	94.1	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.008	15%	0.145	C	C	.	.	H	α-helix	trans	-63.8	-38.7	175.3	0	0	0	0	0	111.4	M454 V471 L477 V478 L479	M454-A475 HydrophobicContact CE-CB 3.83Å; M454-A475 HydrophobicContact SD-CB 3.99Å; V471-A475 WeakPolarHBondContact O-CB 3.34Å; V471-A475 PolarHBondContact O-N 3.48Å; A475-L477 VanDerWaalsContact C-N 3.28Å; A475-L477 PolarHBondContact O-N 3.17Å; A475-V478 PolarHBondContact O-N 3.39Å; A475-L479 PolarHBondContact O-N 3.39Å
476	D	96.6	Very high	94	Very high	5 Å²	5	19.9 Å²	19.9	3%	0.027	11%	0.106	C	C	.	.	H	α-helix	trans	-65.4	-31.3	177.2	-173.3	59.1	0	0	0	112.8	P368 D472 D473 L474 L479 G480 R506	P368-D476 HydrophobicContact CG-CB 3.81Å; D472-D476 WeakPolarHBondContact O-CB 3.05Å; D472-D476 PolarHBondContact O-N 3.11Å; D472-D476 VanDerWaalsContact O-N 3.15Å; D473-D476 PolarHBondContact O-N 2.9Å; L474-D476 VanDerWaalsContact C-N 3.32Å; D476-L479 PolarHBondContact O-N 2.97Å; D476-G480 PolarHBondContact O-N 2.95Å; D476-R506 PolarHBondContact O-NH2 3.25Å; D476-R506 IonicContact OD1-CZ 2.74Å; D476-R506 VanDerWaalsContact OD1-CZ 3.3Å; D476-R506 IonicContact OD1-NE 3.53Å; D476-R506 PolarHBondContact OD1-NE 3.32Å; D476-R506 IonicContact OD1-NH2 2.62Å; D476-R506 PolarHBondContact OD1-NH2 3.42Å; D476-R506 IonicContact OD2-CZ 2.76Å; D476-R506 IonicContact OD2-NH2 2.68Å; D476-R506 PolarHBondContact OD2-NH2 2.96Å
477	L	96.3	Very high	93.6	Very high	27 Å²	27	21 Å²	21	14%	0.141	11%	0.111	C	C	.	.	H	α-helix	trans	-63.6	-42.2	173.2	-59.1	-175.7	0	0	0	111.9	Y219 T222 D473 L474 A475 L479 G480 D481	Y219-L477 HydrophobicContact CD2-CD2 4.29Å; T222-L477 HydrophobicContact CG2-CD2 4.06Å; T222-L477 PolarHBondContact OG1-O 3.1Å; D473-L477 WeakPolarHBondContact O-CG 3.4Å; D473-L477 PolarHBondContact O-N 3.42Å; L474-L477 HydrophobicContact CD2-CD1 4.03Å; L474-L477 WeakPolarHBondContact O-CB 3.26Å; L474-L477 PolarHBondContact O-N 3.32Å; A475-L477 VanDerWaalsContact C-N 3.28Å; A475-L477 PolarHBondContact O-N 3.17Å; L477-L479 VanDerWaalsContact C-N 3.29Å; L477-L479 PolarHBondContact O-N 3.03Å; L477-G480 WeakPolarHBondContact O-CA 3.41Å; L477-G480 PolarHBondContact O-N 3.13Å; L477-G480 VanDerWaalsContact O-N 3.09Å; L477-D481 PolarHBondContact O-N 2.7Å
478	V	95.9	Very high	93	Very high	12 Å²	12	22.5 Å²	22.5	7%	0.073	12%	0.121	C	C	.	.	H	α-helix	trans	-60.6	-41.7	177.8	179.4	0	0	0	0	110.8	F435 L450 M454 L474 A475 G480 D481 L482	F435-V478 HydrophobicContact CZ-CG1 4.4Å; L450-V478 HydrophobicContact CB-CG1 4.31Å; L450-V478 HydrophobicContact CD2-CG1 3.77Å; L450-V478 WeakPolarHBondContact CD2-O 3.41Å; M454-V478 HydrophobicContact CG-CG1 4.19Å; M454-V478 HydrophobicContact SD-CB 4.11Å; M454-V478 HydrophobicContact SD-CG1 4.19Å; M454-V478 HydrophobicContact SD-CG2 4.26Å; L474-V478 PolarHBondContact O-N 3.23Å; A475-V478 PolarHBondContact O-N 3.39Å; V478-G480 VanDerWaalsContact C-N 3.35Å; V478-D481 PolarHBondContact O-N 3.2Å; V478-L482 PolarHBondContact O-N 2.75Å; V478-L482 VanDerWaalsContact O-N 3.13Å
479	L	96.2	Very high	92.6	Very high	6 Å²	6	24 Å²	24	3%	0.031	13%	0.127	C	C	.	.	H	α-helix	trans	-71.7	-30.8	176.3	-60.4	178.6	0	0	0	112.1	F435 A475 D476 L477 L482 C483 R506 R507 F510	F435-L479 HydrophobicContact CE1-CD2 4.01Å; F435-L479 HydrophobicContact CZ-CD2 4.42Å; A475-L479 PolarHBondContact O-N 3.39Å; D476-L479 PolarHBondContact O-N 2.97Å; L477-L479 VanDerWaalsContact C-N 3.29Å; L477-L479 PolarHBondContact O-N 3.03Å; L479-L482 WeakPolarHBondContact O-CB 3.25Å; L479-L482 PolarHBondContact O-N 2.74Å; L479-C483 PolarHBondContact O-N 3.16Å; L479-C483 PolarHBondContact O-SG 2.84Å; L479-R506 HydrophobicContact CB-CG 4.37Å; L479-R507 HydrophobicContact CD1-CB 3.9Å; L479-R507 HydrophobicContact CD1-CG 3.93Å; L479-F510 HydrophobicContact CB-CD2 4.4Å; L479-F510 HydrophobicContact CB-CE2 4.49Å; L479-F510 HydrophobicContact CD1-CB 3.97Å; L479-F510 HydrophobicContact CD1-CD2 3.89Å; L479-F510 HydrophobicContact CD1-CG 4.06Å; L479-F510 HydrophobicContact CD2-CB 4.2Å; L479-F510 HydrophobicContact CD2-CD1 4.01Å; L479-F510 HydrophobicContact CD2-CD2 4.02Å; L479-F510 HydrophobicContact CD2-CE1 4.45Å; L479-F510 HydrophobicContact CD2-CE2 4.44Å; L479-F510 HydrophobicContact CD2-CG 3.8Å; L479-F510 HydrophobicContact CG-CD2 4.33Å; L479-F510 HydrophobicContact CG-CG 4.49Å
480	G	94.5	Very high	92.3	Very high	3 Å²	3	29.5 Å²	29.5	3%	0.031	16%	0.16	C	C	.	.	H	α-helix	trans	-60.8	-47.2	170.6	0	0	0	0	0	112.3	D476 L477 V478 L482 C483 G484	D476-G480 PolarHBondContact O-N 2.95Å; L477-G480 WeakPolarHBondContact O-CA 3.41Å; L477-G480 PolarHBondContact O-N 3.13Å; L477-G480 VanDerWaalsContact O-N 3.09Å; V478-G480 VanDerWaalsContact C-N 3.35Å; G480-L482 VanDerWaalsContact C-N 3.31Å; G480-L482 PolarHBondContact O-N 3.42Å; G480-C483 PolarHBondContact O-N 3.49Å; G480-C483 VanDerWaalsContact O-N 3.12Å; G480-G484 PolarHBondContact O-N 3.12Å; G480-G484 VanDerWaalsContact O-N 3.08Å
481	D	91.8	Very high	92.2	Very high	36 Å²	36	29.1 Å²	29.1	19%	0.193	16%	0.156	C	C	.	.	H	α-helix	trans	-61.1	-40.2	176	-71.4	-21.4	0	0	0	111.5	S218 Y449 L477 V478 C483 G484	S218-D481 PolarHBondContact OG-OD2 2.93Å; Y449-D481 HydrophobicContact CE1-CB 4.45Å; Y449-D481 PolarHBondContact OH-OD2 3.4Å; L477-D481 PolarHBondContact O-N 2.7Å; V478-D481 PolarHBondContact O-N 3.2Å; D481-C483 PolarHBondContact O-N 2.76Å; D481-G484 PolarHBondContact O-N 3.46Å
482	L	93.7	Very high	92	Very high	3 Å²	3	29.5 Å²	29.5	2%	0.016	16%	0.158	C	C	.	.	H	α-helix	trans	-59.2	-45.9	172.7	173.8	60.9	0	0	0	111.8	L442 L450 V478 L479 G480 G484 R489 I491 F510	L442-L482 HydrophobicContact CD1-CD1 3.59Å; L442-L482 HydrophobicContact CD2-CD1 4.21Å; L450-L482 HydrophobicContact CD1-CB 4.37Å; L450-L482 HydrophobicContact CD1-CD1 3.83Å; L450-L482 HydrophobicContact CD1-CG 4.47Å; L450-L482 HydrophobicContact CD2-CB 3.92Å; V478-L482 PolarHBondContact O-N 2.75Å; V478-L482 VanDerWaalsContact O-N 3.13Å; L479-L482 WeakPolarHBondContact O-CB 3.25Å; L479-L482 PolarHBondContact O-N 2.74Å; G480-L482 VanDerWaalsContact C-N 3.31Å; G480-L482 PolarHBondContact O-N 3.42Å; L482-G484 VanDerWaalsContact C-N 3.25Å; L482-G484 PolarHBondContact O-N 3.31Å; L482-R489 WeakPolarHBondContact O-CD 3.24Å; L482-R489 PolarHBondContact O-NH1 2.77Å; L482-I491 HydrophobicContact CD1-CD1 3.69Å; L482-I491 HydrophobicContact CG-CD1 4.36Å; L482-F510 HydrophobicContact CD2-CD1 4.31Å; L482-F510 HydrophobicContact CD2-CE1 3.39Å; L482-F510 HydrophobicContact CD2-CZ 3.64Å; L482-F510 HydrophobicContact CG-CZ 4.44Å
483	C	94.6	Very high	91.9	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.014	19%	0.188	C	C	.	.	H	α-helix	trans	-73.9	-11.8	-177.6	-65.7	0	0	0	0	114.4	K229 L479 G480 D481 C499	K229-C483 VanDerWaalsContact CE-O 3.27Å; K229-C483 WeakPolarHBondContact CE-O 3.38Å; K229-C483 PolarHBondContact NZ-O 2.91Å; L479-C483 PolarHBondContact O-N 3.16Å; L479-C483 PolarHBondContact O-SG 2.84Å; G480-C483 PolarHBondContact O-N 3.49Å; G480-C483 VanDerWaalsContact O-N 3.12Å; D481-C483 PolarHBondContact O-N 2.76Å; C483-C499 WeakPolarHBondContact CA-SG 3.42Å; C483-C499 HydrophobicContact CB-CB 3.65Å; C483-C499 WeakPolarHBondContact CB-SG 3.4Å; C483-C499 WeakPolarHBondContact SG-CA 3.36Å; C483-C499 WeakPolarHBondContact SG-CB 3.5Å; C483-C499 CovalentContact SG-SG 2.04Å; C483-C499 PolarHBondContact SG-SG 3.07Å
484	G	91.3	Very high	91.8	Very high	9 Å²	9	34.3 Å²	34.3	9%	0.093	20%	0.196	C	C	.	.			trans	75	170	175.4	0	0	0	0	0	114.5	K229 G480 D481 L482	K229-G484 PolarHBondContact NZ-O 3.22Å; G480-G484 PolarHBondContact O-N 3.12Å; G480-G484 VanDerWaalsContact O-N 3.08Å; D481-G484 PolarHBondContact O-N 3.46Å; L482-G484 VanDerWaalsContact C-N 3.25Å; L482-G484 PolarHBondContact O-N 3.31Å
485	V	89.9	Confident	91.8	Very high	10 Å²	10	31.6 Å²	31.6	6%	0.061	18%	0.181	C	C	.	.	S	Bend	trans	-103.4	-72.9	-174.6	-173	0	0	0	0	111.5	F172 C224	F172-V485 HydrophobicContact CD1-CB 4.15Å; F172-V485 HydrophobicContact CD1-CG1 3.73Å; F172-V485 HydrophobicContact CD2-CB 4.16Å; F172-V485 HydrophobicContact CD2-CG2 3.99Å; F172-V485 HydrophobicContact CE1-CB 4.17Å; F172-V485 HydrophobicContact CE1-CG1 4.04Å; F172-V485 HydrophobicContact CE2-CB 4.19Å; F172-V485 HydrophobicContact CE2-CG2 4.36Å; F172-V485 HydrophobicContact CG-CB 4.16Å; F172-V485 HydrophobicContact CG-CG1 4.02Å; F172-V485 HydrophobicContact CG-CG2 4.16Å; F172-V485 HydrophobicContact CZ-CB 4.21Å; C224-V485 HydrophobicContact CB-CG1 3.67Å
486	N	83.6	Confident	91.8	Very high	11 Å²	11	32.8 Å²	32.8	6%	0.059	19%	0.187	C	C	.	.	S	Bend	trans	-89	-5.4	-172.4	65.6	-30	0	0	0	114.3	F126 Y127 K129 F172	F126-N486 HydrophobicContact CD1-CB 4.13Å; F126-N486 HydrophobicContact CD2-CB 4.44Å; F126-N486 HydrophobicContact CE1-CB 3.47Å; F126-N486 VanDerWaalsContact CE1-CB 3.47Å; F126-N486 HydrophobicContact CE2-CB 3.81Å; F126-N486 HydrophobicContact CZ-CB 3.28Å; F126-N486 PolarHBondContact O-ND2 2.83Å; Y127-N486 WeakPolarHBondContact CD1-O 3.29Å; Y127-N486 WeakPolarHBondContact CE1-O 3.09Å; Y127-N486 PolarHBondContact O-ND2 3.43Å; K129-N486 PolarHBondContact O-ND2 3.15Å; F172-N486 HydrophobicContact CE1-CB 3.85Å; F172-N486 HydrophobicContact CZ-CB 3.94Å; F172-N486 VanDerWaalsContact CZ-CG 3.4Å; F172-N486 WeakPolarHBondContact CZ-OD1 3.37Å
487	E	80.7	Confident	91.7	Very high	112 Å²	112	37.6 Å²	37.6	52%	0.523	21%	0.209	S	C	.	.	S	Bend	trans	-128.5	144.7	176.6	-67.9	-177.9	172.6	0	0	110.9	R489	E487-R489 VanDerWaalsContact C-N 3.29Å; E487-R489 PolarHBondContact O-N 3.19Å; E487-R489 VanDerWaalsContact O-N 3.1Å
488	N	80	Confident	91.8	Very high	89 Å²	89	36.4 Å²	36.4	48%	0.476	20%	0.203	S	C	.	.			trans	-78.8	86.6	162.6	-83.1	-22.9	0	0	0	107.9	R500	N488-R500 PolarHBondContact O-NH2 2.83Å
489	R	85.1	Confident	91.8	Very high	50 Å²	50	36.1 Å²	36.1	19%	0.189	20%	0.202	C	C	.	.			trans	-50.6	143.7	175.4	-65	-179.5	66	171.3	2.2	109.8	E446 L482 E487 I491 R500	E446-R489 IonicContact OE2-CZ 3.83Å; E446-R489 IonicContact OE2-NH1 2.87Å; E446-R489 IonicContact OE2-NH2 3.48Å; E446-R489 PolarHBondContact OE2-NH2 2.92Å; L482-R489 WeakPolarHBondContact O-CD 3.24Å; L482-R489 PolarHBondContact O-NH1 2.77Å; E487-R489 VanDerWaalsContact C-N 3.29Å; E487-R489 PolarHBondContact O-N 3.19Å; E487-R489 VanDerWaalsContact O-N 3.1Å; R489-I491 HydrophobicContact CB-CD1 4.49Å; R489-I491 HydrophobicContact CB-CG1 4.38Å; R489-R500 PolarHBondContact O-NH2 3.5Å
490	T	89.4	Confident	91.7	Very high	116 Å²	116	40.8 Å²	40.8	71%	0.712	22%	0.219	S	C	*	.			trans	-116.4	97.5	172.1	53.8	0	0	0	0	108	D496	T490-D496 WeakPolarHBondContact CA-OD1 3.3Å; T490-D496 WeakPolarHBondContact CA-OD2 3.31Å
491	I	92.4	Very high	91.6	Very high	19 Å²	19	44.6 Å²	44.6	10%	0.097	24%	0.242	C	C	.	.	S	Bend	trans	-99.3	-62.6	-178.1	-63.7	165.4	0	0	0	108.7	A439 Q441 L442 L482 R489 V495 D496	A439-I491 HydrophobicContact CB-CG2 4Å; Q441-I491 HydrophobicContact CB-CG2 4.3Å; Q441-I491 WeakPolarHBondContact CG-O 3.43Å; L442-I491 HydrophobicContact CD2-CD1 3.93Å; L442-I491 HydrophobicContact CD2-CG1 4.08Å; L442-I491 HydrophobicContact CD2-CG2 4.12Å; L442-I491 HydrophobicContact CG-CG2 4.35Å; L482-I491 HydrophobicContact CD1-CD1 3.69Å; L482-I491 HydrophobicContact CG-CD1 4.36Å; R489-I491 HydrophobicContact CB-CD1 4.49Å; R489-I491 HydrophobicContact CB-CG1 4.38Å; I491-V495 HydrophobicContact CB-CB 4.31Å; I491-V495 HydrophobicContact CB-CG1 4.03Å; I491-V495 HydrophobicContact CD1-CG1 3.68Å; I491-V495 HydrophobicContact CG1-CG1 4.44Å; I491-V495 HydrophobicContact CG2-CB 4.36Å; I491-V495 HydrophobicContact CG2-CG1 4.24Å; I491-V495 HydrophobicContact CG2-CG2 4.48Å; I491-D496 PolarHBondContact N-OD1 2.88Å
492	N	93.9	Very high	91.7	Very high	8 Å²	8	44.9 Å²	44.9	4%	0.043	24%	0.243	C	C	.	.			trans	-159.4	163.8	170.1	65.8	50.4	0	0	0	108.6	A438 Q441 A494 V495 D496 D516	A438-N492 PolarHBondContact O-ND2 3.41Å; Q441-N492 PolarHBondContact OE1-ND2 2.95Å; Q441-N492 VanDerWaalsContact OE1-ND2 3.1Å; N492-A494 VanDerWaalsContact C-N 3.26Å; N492-A494 PolarHBondContact O-N 3.43Å; N492-A494 VanDerWaalsContact O-N 3.16Å; N492-A494 PolarHBondContact OD1-N 2.95Å; N492-A494 VanDerWaalsContact OD1-N 3.16Å; N492-V495 PolarHBondContact O-N 2.66Å; N492-V495 WeakPolarHBondContact OD1-CB 3.41Å; N492-V495 WeakPolarHBondContact OD1-CG2 3.4Å; N492-V495 PolarHBondContact OD1-N 3.33Å; N492-D496 VanDerWaalsContact O-CB 3.25Å; N492-D496 WeakPolarHBondContact O-CB 3.33Å; N492-D496 PolarHBondContact O-N 3.32Å; N492-D516 WeakPolarHBondContact CB-OD2 3.32Å; N492-D516 PolarHBondContact ND2-OD2 2.99Å
493	P	94.6	Very high	91.8	Very high	98 Å²	98	45.6 Å²	45.6	64%	0.636	25%	0.246	S	C	*	.	H	α-helix	trans	-56.7	-35.1	-173.8	-27.8	36	0	0	0	114.8	H497	P493-H497 VanDerWaalsContact O-CB 3.27Å; P493-H497 WeakPolarHBondContact O-CB 3.47Å; P493-H497 PolarHBondContact O-N 3.23Å
494	A	95.7	Very high	91.8	Very high	47 Å²	47	45.7 Å²	45.7	39%	0.388	25%	0.247	S	C	.	.	H	α-helix	trans	-76.4	-44.5	-176.5	0	0	0	0	0	112.1	N492 H497 C498 L513	N492-A494 VanDerWaalsContact C-N 3.26Å; N492-A494 PolarHBondContact O-N 3.43Å; N492-A494 VanDerWaalsContact O-N 3.16Å; N492-A494 PolarHBondContact OD1-N 2.95Å; N492-A494 VanDerWaalsContact OD1-N 3.16Å; A494-H497 WeakPolarHBondContact O-CB 3.5Å; A494-H497 PolarHBondContact O-N 3.42Å; A494-C498 PolarHBondContact O-N 3.25Å; A494-C498 VanDerWaalsContact O-N 3.07Å; A494-C498 PolarHBondContact O-SG 2.76Å; A494-L513 HydrophobicContact CB-CD2 3.69Å
495	V	96.3	Very high	92.1	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-64.7	-43.4	174	173.1	0	0	0	0	110.6	A438 A439 I491 N492 H497 C498 C499 F510 L513	A438-V495 WeakPolarHBondContact O-CG2 3.38Å; A439-V495 HydrophobicContact CB-CG2 4.03Å; I491-V495 HydrophobicContact CB-CB 4.31Å; I491-V495 HydrophobicContact CB-CG1 4.03Å; I491-V495 HydrophobicContact CD1-CG1 3.68Å; I491-V495 HydrophobicContact CG1-CG1 4.44Å; I491-V495 HydrophobicContact CG2-CB 4.36Å; I491-V495 HydrophobicContact CG2-CG1 4.24Å; I491-V495 HydrophobicContact CG2-CG2 4.48Å; N492-V495 PolarHBondContact O-N 2.66Å; N492-V495 WeakPolarHBondContact OD1-CB 3.41Å; N492-V495 WeakPolarHBondContact OD1-CG2 3.4Å; N492-V495 PolarHBondContact OD1-N 3.33Å; V495-H497 VanDerWaalsContact C-N 3.27Å; V495-H497 PolarHBondContact O-N 3.28Å; V495-C498 PolarHBondContact O-N 2.95Å; V495-C499 PolarHBondContact O-N 2.73Å; V495-C499 PolarHBondContact O-SG 3.43Å; V495-F510 HydrophobicContact CG1-CE1 4.02Å; V495-F510 HydrophobicContact CG1-CZ 4Å; V495-F510 HydrophobicContact CG2-CE1 4.39Å; V495-L513 HydrophobicContact CG2-CD1 3.95Å
496	D	95.1	Very high	92.4	Very high	25 Å²	25	47.9 Å²	47.9	13%	0.134	25%	0.254	C	S	.	.	H	α-helix	trans	-62.1	-38.2	178.2	-67.8	-3.1	0	0	0	111.1	T490 I491 N492 C499 R500	T490-D496 WeakPolarHBondContact CA-OD1 3.3Å; T490-D496 WeakPolarHBondContact CA-OD2 3.31Å; I491-D496 PolarHBondContact N-OD1 2.88Å; N492-D496 VanDerWaalsContact O-CB 3.25Å; N492-D496 WeakPolarHBondContact O-CB 3.33Å; N492-D496 PolarHBondContact O-N 3.32Å; D496-C499 PolarHBondContact O-N 3.43Å; D496-R500 WeakPolarHBondContact O-CB 3.47Å; D496-R500 VanDerWaalsContact O-CG 3.25Å; D496-R500 WeakPolarHBondContact O-CG 3.4Å; D496-R500 PolarHBondContact O-N 3.46Å
497	H	95.8	Very high	93	Very high	106 Å²	106	47.5 Å²	47.5	49%	0.491	25%	0.251	S	S	.	.	H	α-helix	trans	-61	-50.6	172.7	177.3	73.9	0	0	0	111.4	P493 A494 V495 C499 R500 T501	P493-H497 VanDerWaalsContact O-CB 3.27Å; P493-H497 WeakPolarHBondContact O-CB 3.47Å; P493-H497 PolarHBondContact O-N 3.23Å; A494-H497 WeakPolarHBondContact O-CB 3.5Å; A494-H497 PolarHBondContact O-N 3.42Å; V495-H497 VanDerWaalsContact C-N 3.27Å; V495-H497 PolarHBondContact O-N 3.28Å; H497-C499 VanDerWaalsContact C-N 3.26Å; H497-C499 PolarHBondContact O-N 2.97Å; H497-R500 PolarHBondContact O-N 3.27Å; H497-T501 PolarHBondContact CE1-OG1 3.41Å; H497-T501 PolarHBondContact ND1-OG1 2.97Å; H497-T501 WeakPolarHBondContact O-CB 3.4Å; H497-T501 PolarHBondContact O-N 2.88Å; H497-T501 PolarHBondContact O-OG1 3.32Å
498	C	96.9	Very high	93.7	Very high	2 Å²	2	43.2 Å²	43.2	1%	0.014	23%	0.231	C	C	.	.	H	α-helix	trans	-62.4	-31.8	178.5	-66	0	0	0	0	113.4	A494 V495 C509 F510	A494-C498 PolarHBondContact O-N 3.25Å; A494-C498 VanDerWaalsContact O-N 3.07Å; A494-C498 PolarHBondContact O-SG 2.76Å; V495-C498 PolarHBondContact O-N 2.95Å; C498-C509 WeakPolarHBondContact CA-SG 3.42Å; C498-C509 HydrophobicContact CB-CB 3.66Å; C498-C509 WeakPolarHBondContact CB-SG 3.36Å; C498-C509 WeakPolarHBondContact SG-CB 3.33Å; C498-C509 CovalentContact SG-SG 2.04Å; C498-C509 PolarHBondContact SG-SG 3.07Å; C498-F510 HydrophobicContact CB-CD2 3.75Å; C498-F510 HydrophobicContact CB-CE2 3.57Å; C498-F510 HydrophobicContact CB-CG 4.34Å; C498-F510 HydrophobicContact CB-CZ 4.03Å
499	C	96.2	Very high	94.5	Very high	7 Å²	7	40.6 Å²	40.6	5%	0.047	22%	0.219	C	C	.	.	H	α-helix	trans	-76.3	-19.8	178.3	-75.2	0	0	0	0	114.8	C483 V495 D496 H497	C483-C499 WeakPolarHBondContact CA-SG 3.42Å; C483-C499 HydrophobicContact CB-CB 3.65Å; C483-C499 WeakPolarHBondContact CB-SG 3.4Å; C483-C499 WeakPolarHBondContact SG-CA 3.36Å; C483-C499 WeakPolarHBondContact SG-CB 3.5Å; C483-C499 CovalentContact SG-SG 2.04Å; C483-C499 PolarHBondContact SG-SG 3.07Å; V495-C499 PolarHBondContact O-N 2.73Å; V495-C499 PolarHBondContact O-SG 3.43Å; D496-C499 PolarHBondContact O-N 3.43Å; H497-C499 VanDerWaalsContact C-N 3.26Å; H497-C499 PolarHBondContact O-N 2.97Å
500	R	93.9	Very high	95.1	Very high	104 Å²	104	38.9 Å²	38.9	39%	0.392	21%	0.213	S	C	.	.	H	α-helix	trans	-119.7	-14.7	-168.7	-63.8	177.2	-167.5	-174.5	7.2	114.7	F230 N488 R489 D496 H497	F230-R500 VanDerWaalsContact CE1-O 3.31Å; F230-R500 WeakPolarHBondContact CE1-O 3.3Å; N488-R500 PolarHBondContact O-NH2 2.83Å; R489-R500 PolarHBondContact O-NH2 3.5Å; D496-R500 WeakPolarHBondContact O-CB 3.47Å; D496-R500 VanDerWaalsContact O-CG 3.25Å; D496-R500 WeakPolarHBondContact O-CG 3.4Å; D496-R500 PolarHBondContact O-N 3.46Å; H497-R500 PolarHBondContact O-N 3.27Å
501	T	93.6	Very high	95.2	Very high	82 Å²	82	36.1 Å²	36.1	50%	0.503	19%	0.192	S	C	.	.	S	Bend	trans	-80.8	-52.6	-172	-57.7	0	0	0	0	111.8	H497	H497-T501 PolarHBondContact CE1-OG1 3.41Å; H497-T501 PolarHBondContact ND1-OG1 2.97Å; H497-T501 WeakPolarHBondContact O-CB 3.4Å; H497-T501 PolarHBondContact O-N 2.88Å; H497-T501 PolarHBondContact O-OG1 3.32Å
502	D	93.4	Very high	95.3	Very high	42 Å²	42	42.2 Å²	42.2	23%	0.225	22%	0.22	C	C	.	.			trans	-155	129.2	-174.1	-170.7	-60.7	0	0	0	110.3	A504 F505 R506	D502-A504 WeakPolarHBondContact OD1-CA 3.01Å; D502-A504 WeakPolarHBondContact OD1-CB 3.37Å; D502-A504 PolarHBondContact OD1-N 2.88Å; D502-F505 HydrophobicContact CB-CB 4.16Å; D502-F505 PolarHBondContact OD1-N 3.1Å; D502-R506 PolarHBondContact O-N 3.48Å; D502-R506 VanDerWaalsContact O-N 3.12Å
503	F	95.1	Very high	95.3	Very high	18 Å²	18	43.7 Å²	43.7	8%	0.079	23%	0.228	C	C	.	.	S	Bend	trans	-67.9	-44.4	178.9	178	-97.5	0	0	0	112.3	T222 A226 F230 I238 L371 R506	T222-F503 HydrophobicContact CG2-CE2 3.94Å; T222-F503 HydrophobicContact CG2-CZ 4.21Å; A226-F503 HydrophobicContact CB-CD2 3.66Å; A226-F503 HydrophobicContact CB-CE2 3.76Å; A226-F503 HydrophobicContact CB-CG 4.36Å; F230-F503 HydrophobicContact CD2-CB 3.87Å; F230-F503 HydrophobicContact CD2-CD2 4.49Å; F230-F503 HydrophobicContact CE2-CB 3.73Å; F230-F503 HydrophobicContact CE2-CD2 4.19Å; F230-F503 HydrophobicContact CE2-CG 4.46Å; F230-F503 HydrophobicContact CZ-CB 4.21Å; I238-F503 HydrophobicContact CD1-CD1 3.91Å; I238-F503 HydrophobicContact CD1-CE1 3.55Å; I238-F503 HydrophobicContact CD1-CE2 4.23Å; I238-F503 HydrophobicContact CD1-CG 4.41Å; I238-F503 HydrophobicContact CD1-CZ 3.73Å; I238-F503 HydrophobicContact CG1-CD1 4.04Å; I238-F503 HydrophobicContact CG1-CE1 3.63Å; I238-F503 HydrophobicContact CG1-CZ 4.23Å; L371-F503 HydrophobicContact CD1-CD1 3.83Å; L371-F503 HydrophobicContact CD1-CE1 3.83Å; F503-R506 WeakPolarHBondContact O-CB 3.37Å; F503-R506 PolarHBondContact O-N 3.49Å
504	A	96	Very high	95	Very high	4 Å²	4	47.2 Å²	47.2	3%	0.033	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-37.8	-175.8	0	0	0	0	0	112	L371 R372 D502	L371-A504 HydrophobicContact CB-CB 3.64Å; R372-A504 HydrophobicContact CB-CB 4.47Å; R372-A504 VanDerWaalsContact CD-O 3.3Å; R372-A504 WeakPolarHBondContact CD-O 3.26Å; R372-A504 HydrophobicContact CG-CB 3.72Å; R372-A504 WeakPolarHBondContact CG-O 3.44Å; R372-A504 PolarHBondContact NH1-O 3.48Å; D502-A504 WeakPolarHBondContact OD1-CA 3.01Å; D502-A504 WeakPolarHBondContact OD1-CB 3.37Å; D502-A504 PolarHBondContact OD1-N 2.88Å
505	F	96.7	Very high	94.7	Very high	60 Å²	60	45.7 Å²	45.7	26%	0.263	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	2.2	178.1	-72.8	-82.5	0	0	0	114.4	R372 E375 V376 D502 R507 H508 C509	R372-F505 HydrophobicContact CB-CE1 4.31Å; R372-F505 HydrophobicContact CB-CE2 4.26Å; R372-F505 HydrophobicContact CB-CZ 3.98Å; R372-F505 HydrophobicContact CG-CD1 4.03Å; R372-F505 HydrophobicContact CG-CD2 4.11Å; R372-F505 HydrophobicContact CG-CE1 3.92Å; R372-F505 HydrophobicContact CG-CE2 4.02Å; R372-F505 HydrophobicContact CG-CG 4.12Å; R372-F505 HydrophobicContact CG-CZ 3.92Å; E375-F505 HydrophobicContact CB-CE2 3.9Å; V376-F505 HydrophobicContact CG2-CZ 4.11Å; D502-F505 HydrophobicContact CB-CB 4.16Å; D502-F505 PolarHBondContact OD1-N 3.1Å; F505-R507 VanDerWaalsContact C-N 3.35Å; F505-R507 PolarHBondContact O-N 3.31Å; F505-H508 HydrophobicContact CD1-CB 4.3Å; F505-H508 WeakPolarHBondContact O-CB 3.31Å; F505-H508 PolarHBondContact O-N 2.75Å; F505-H508 VanDerWaalsContact O-N 3.08Å; F505-C509 PolarHBondContact O-N 3.22Å
506	R	96.6	Very high	94.4	Very high	6 Å²	6	46.7 Å²	46.7	2%	0.023	23%	0.229	C	C	.	.	H	α-helix	trans	-47.9	-55.1	179.2	177.2	171.7	62.8	-166.5	6.2	112	T222 D476 L479 D502 F503 H508 C509 F510	T222-R506 VanDerWaalsContact CG2-NH2 3.31Å; D476-R506 PolarHBondContact O-NH2 3.25Å; D476-R506 IonicContact OD1-CZ 2.74Å; D476-R506 VanDerWaalsContact OD1-CZ 3.3Å; D476-R506 IonicContact OD1-NE 3.53Å; D476-R506 PolarHBondContact OD1-NE 3.32Å; D476-R506 IonicContact OD1-NH2 2.62Å; D476-R506 PolarHBondContact OD1-NH2 3.42Å; D476-R506 IonicContact OD2-CZ 2.76Å; D476-R506 IonicContact OD2-NH2 2.68Å; D476-R506 PolarHBondContact OD2-NH2 2.96Å; L479-R506 HydrophobicContact CB-CG 4.37Å; D502-R506 PolarHBondContact O-N 3.48Å; D502-R506 VanDerWaalsContact O-N 3.12Å; F503-R506 WeakPolarHBondContact O-CB 3.37Å; F503-R506 PolarHBondContact O-N 3.49Å; R506-H508 PolarHBondContact O-N 2.84Å; R506-C509 WeakPolarHBondContact O-CB 3.49Å; R506-C509 PolarHBondContact O-N 3.41Å; R506-C509 VanDerWaalsContact O-N 3.16Å; R506-F510 HydrophobicContact CG-CD2 3.83Å; R506-F510 HydrophobicContact CG-CE2 3.82Å; R506-F510 VanDerWaalsContact O-CD2 3.3Å; R506-F510 WeakPolarHBondContact O-CD2 3.32Å; R506-F510 PolarHBondContact O-N 3.07Å
507	R	95.6	Very high	93.8	Very high	2 Å²	2	51.8 Å²	51.8	1%	0.008	26%	0.261	C	S	.	.	H	α-helix	trans	-57.3	-47.1	179.5	-172.5	-175.2	179.6	-162.9	-0.5	112.4	E415 D472 L479 F505 C509 F510 E511	E415-R507 IonicContact OE1-NH2 2.59Å; E415-R507 PolarHBondContact OE1-NH2 2.83Å; E415-R507 IonicContact OE2-CZ 2.93Å; E415-R507 IonicContact OE2-NH2 2.81Å; E415-R507 PolarHBondContact OE2-NH2 3.41Å; D472-R507 VanDerWaalsContact CA-NH1 3.3Å; D472-R507 WeakPolarHBondContact OD1-CD 3.04Å; D472-R507 IonicContact OD1-CZ 3.43Å; D472-R507 IonicContact OD1-NE 2.62Å; D472-R507 IonicContact OD1-NH1 2.92Å; D472-R507 PolarHBondContact OD1-NH1 3.45Å; L479-R507 HydrophobicContact CD1-CB 3.9Å; L479-R507 HydrophobicContact CD1-CG 3.93Å; F505-R507 VanDerWaalsContact C-N 3.35Å; F505-R507 PolarHBondContact O-N 3.31Å; R507-C509 VanDerWaalsContact C-N 3.29Å; R507-C509 PolarHBondContact O-N 2.84Å; R507-F510 PolarHBondContact O-N 3.35Å; R507-E511 HydrophobicContact CG-CG 4.49Å; R507-E511 VanDerWaalsContact O-CG 3.24Å; R507-E511 WeakPolarHBondContact O-CG 3.32Å; R507-E511 PolarHBondContact O-N 3.25Å
508	H	95.8	Very high	93.3	Very high	23 Å²	23	51.2 Å²	51.2	11%	0.106	27%	0.265	C	S	.	.	H	α-helix	trans	-60.8	-40.1	178.3	-75	71.3	0	0	0	111.7	R372 S408 F505 R506 E511 H512	R372-H508 VanDerWaalsContact CZ-CE1 3.44Å; R372-H508 PolarHBondContact NE-CE1 3Å; R372-H508 VanDerWaalsContact NE-CE1 3.3Å; S408-H508 PolarHBondContact OG-CE1 3.03Å; S408-H508 PolarHBondContact OG-NE2 3.48Å; F505-H508 HydrophobicContact CD1-CB 4.3Å; F505-H508 WeakPolarHBondContact O-CB 3.31Å; F505-H508 PolarHBondContact O-N 2.75Å; F505-H508 VanDerWaalsContact O-N 3.08Å; R506-H508 PolarHBondContact O-N 2.84Å; H508-E511 PolarHBondContact O-N 3.29Å; H508-H512 PolarHBondContact O-N 2.87Å; H508-H512 PolarHBondContact O-ND1 2.77Å
509	C	97.3	Very high	92.6	Very high	33 Å²	33	54.3 Å²	54.3	22%	0.223	28%	0.277	C	S	.	.	H	α-helix	trans	-60.7	-48	174.9	-172.9	0	0	0	0	111.6	C498 F505 R506 R507 E511 H512 L513	C498-C509 WeakPolarHBondContact CA-SG 3.42Å; C498-C509 HydrophobicContact CB-CB 3.66Å; C498-C509 WeakPolarHBondContact CB-SG 3.36Å; C498-C509 WeakPolarHBondContact SG-CB 3.33Å; C498-C509 CovalentContact SG-SG 2.04Å; C498-C509 PolarHBondContact SG-SG 3.07Å; F505-C509 PolarHBondContact O-N 3.22Å; R506-C509 WeakPolarHBondContact O-CB 3.49Å; R506-C509 PolarHBondContact O-N 3.41Å; R506-C509 VanDerWaalsContact O-N 3.16Å; R507-C509 VanDerWaalsContact C-N 3.29Å; R507-C509 PolarHBondContact O-N 2.84Å; C509-E511 VanDerWaalsContact C-N 3.26Å; C509-E511 PolarHBondContact O-N 3.02Å; C509-H512 PolarHBondContact O-N 2.8Å; C509-H512 VanDerWaalsContact O-N 3.16Å; C509-L513 PolarHBondContact O-N 3.49Å
510	F	96.4	Very high	91.8	Very high	14 Å²	14	62.5 Å²	62.5	6%	0.061	31%	0.314	C	S	.	.	H	α-helix	trans	-59.8	-35.5	178.2	-88.9	-80.5	0	0	0	113.3	L479 L482 V495 C498 R506 R507 H512 L513	L479-F510 HydrophobicContact CB-CD2 4.4Å; L479-F510 HydrophobicContact CB-CE2 4.49Å; L479-F510 HydrophobicContact CD1-CB 3.97Å; L479-F510 HydrophobicContact CD1-CD2 3.89Å; L479-F510 HydrophobicContact CD1-CG 4.06Å; L479-F510 HydrophobicContact CD2-CB 4.2Å; L479-F510 HydrophobicContact CD2-CD1 4.01Å; L479-F510 HydrophobicContact CD2-CD2 4.02Å; L479-F510 HydrophobicContact CD2-CE1 4.45Å; L479-F510 HydrophobicContact CD2-CE2 4.44Å; L479-F510 HydrophobicContact CD2-CG 3.8Å; L479-F510 HydrophobicContact CG-CD2 4.33Å; L479-F510 HydrophobicContact CG-CG 4.49Å; L482-F510 HydrophobicContact CD2-CD1 4.31Å; L482-F510 HydrophobicContact CD2-CE1 3.39Å; L482-F510 HydrophobicContact CD2-CZ 3.64Å; L482-F510 HydrophobicContact CG-CZ 4.44Å; V495-F510 HydrophobicContact CG1-CE1 4.02Å; V495-F510 HydrophobicContact CG1-CZ 4Å; V495-F510 HydrophobicContact CG2-CE1 4.39Å; C498-F510 HydrophobicContact CB-CD2 3.75Å; C498-F510 HydrophobicContact CB-CE2 3.57Å; C498-F510 HydrophobicContact CB-CG 4.34Å; C498-F510 HydrophobicContact CB-CZ 4.03Å; R506-F510 HydrophobicContact CG-CD2 3.83Å; R506-F510 HydrophobicContact CG-CE2 3.82Å; R506-F510 VanDerWaalsContact O-CD2 3.3Å; R506-F510 WeakPolarHBondContact O-CD2 3.32Å; R506-F510 PolarHBondContact O-N 3.07Å; R507-F510 PolarHBondContact O-N 3.35Å; F510-H512 VanDerWaalsContact C-N 3.25Å; F510-H512 PolarHBondContact O-N 3.47Å; F510-L513 HydrophobicContact CD1-CD1 3.49Å; F510-L513 VanDerWaalsContact CD1-CD1 3.49Å; F510-L513 HydrophobicContact CE1-CD1 3.84Å; F510-L513 HydrophobicContact CG-CD1 4.22Å; F510-L513 WeakPolarHBondContact O-CB 3.5Å; F510-L513 PolarHBondContact O-N 2.75Å
511	E	93.1	Very high	90.6	Very high	59 Å²	59	62.2 Å²	62.2	28%	0.276	32%	0.32	S	S	.	.	H	α-helix	trans	-69.5	-23.8	-179.5	-71.3	-69.9	141.3	0	0	113.2	M411 K434 R507 H508 C509	M411-E511 HydrophobicContact CE-CB 3.86Å; M411-E511 HydrophobicContact CE-CG 3.46Å; M411-E511 VanDerWaalsContact CE-CG 3.46Å; K434-E511 IonicContact NZ-OE1 3.07Å; K434-E511 PolarHBondContact NZ-OE1 3.42Å; K434-E511 IonicContact NZ-OE2 3.3Å; K434-E511 PolarHBondContact NZ-OE2 3.22Å; R507-E511 HydrophobicContact CG-CG 4.49Å; R507-E511 VanDerWaalsContact O-CG 3.24Å; R507-E511 WeakPolarHBondContact O-CG 3.32Å; R507-E511 PolarHBondContact O-N 3.25Å; H508-E511 PolarHBondContact O-N 3.29Å; C509-E511 VanDerWaalsContact C-N 3.26Å; C509-E511 PolarHBondContact O-N 3.02Å
512	H	93.1	Very high	89.2	Confident	147 Å²	147	61.1 Å²	61.1	68%	0.681	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-0.1	174.7	-65.2	89.8	0	0	0	113.5	H508 C509 F510 Q514	H508-H512 PolarHBondContact O-N 2.87Å; H508-H512 PolarHBondContact O-ND1 2.77Å; C509-H512 PolarHBondContact O-N 2.8Å; C509-H512 VanDerWaalsContact O-N 3.16Å; F510-H512 VanDerWaalsContact C-N 3.25Å; F510-H512 PolarHBondContact O-N 3.47Å; H512-Q514 PolarHBondContact O-N 3.37Å
513	L	93.7	Very high	88	Confident	38 Å²	38	62.5 Å²	62.5	20%	0.199	33%	0.328	C	S	.	.			trans	-67	129.6	177.3	-68.9	-178.4	0	0	0	110.9	A438 A494 V495 C509 F510	A438-L513 HydrophobicContact CB-CB 3.99Å; A438-L513 HydrophobicContact CB-CD1 4.08Å; A494-L513 HydrophobicContact CB-CD2 3.69Å; V495-L513 HydrophobicContact CG2-CD1 3.95Å; C509-L513 PolarHBondContact O-N 3.49Å; F510-L513 HydrophobicContact CD1-CD1 3.49Å; F510-L513 VanDerWaalsContact CD1-CD1 3.49Å; F510-L513 HydrophobicContact CE1-CD1 3.84Å; F510-L513 HydrophobicContact CG-CD1 4.22Å; F510-L513 WeakPolarHBondContact O-CB 3.5Å; F510-L513 PolarHBondContact O-N 2.75Å
514	Q	89.3	Confident	86.5	Confident	172 Å²	172	66.9 Å²	66.9	80%	0.804	35%	0.347	S	S	*	.			trans	-93.7	-178.2	171.7	-63.1	-171.9	-6.5	0	0	110.5	H512	H512-Q514 PolarHBondContact O-N 3.37Å
515	A	89.4	Confident	85.1	Confident	16 Å²	16	71 Å²	71	13%	0.132	38%	0.376	C	S	.	.			trans	-62.1	137.5	172.6	0	0	0	0	0	111.1	K437 T517 P559	K437-A515 HydrophobicContact CB-CB 4.19Å; K437-A515 VanDerWaalsContact O-CA 3.31Å; K437-A515 WeakPolarHBondContact O-CA 3Å; A515-T517 PolarHBondContact O-N 3.01Å; A515-T517 VanDerWaalsContact O-N 3.09Å; A515-P559 HydrophobicContact CB-CB 3.62Å
516	D	88.7	Confident	83.7	Confident	21 Å²	21	70.1 Å²	70.1	11%	0.112	38%	0.379	C	S	.	.			trans	-71.2	105.2	177	-175.3	-4.3	0	0	0	111	K437 P440 Q441 N492 T518 Y519	K437-D516 PolarHBondContact O-N 3.36Å; P440-D516 HydrophobicContact CG-CB 3.96Å; Q441-D516 PolarHBondContact NE2-OD2 3.45Å; N492-D516 WeakPolarHBondContact CB-OD2 3.32Å; N492-D516 PolarHBondContact ND2-OD2 2.99Å; D516-T518 PolarHBondContact O-N 3.18Å; D516-T518 WeakPolarHBondContact OD1-CA 2.98Å; D516-T518 WeakPolarHBondContact OD1-CB 3.34Å; D516-T518 PolarHBondContact OD1-N 3.44Å; D516-T518 PolarHBondContact OD1-OG1 3.4Å; D516-T518 PolarHBondContact OD2-OG1 3Å; D516-Y519 PolarHBondContact O-N 3.41Å
517	T	83.2	Confident	82.3	Confident	132 Å²	132	70 Å²	70	81%	0.81	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-9.2	179.4	61.2	0	0	0	0	113.6	A515	A515-T517 PolarHBondContact O-N 3.01Å; A515-T517 VanDerWaalsContact O-N 3.09Å
518	T	84.8	Confident	81.1	Confident	94 Å²	94	70.9 Å²	70.9	58%	0.577	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-8.4	179.6	71.7	0	0	0	0	113.1	D516 E520	D516-T518 PolarHBondContact O-N 3.18Å; D516-T518 WeakPolarHBondContact OD1-CA 2.98Å; D516-T518 WeakPolarHBondContact OD1-CB 3.34Å; D516-T518 PolarHBondContact OD1-N 3.44Å; D516-T518 PolarHBondContact OD1-OG1 3.4Å; D516-T518 PolarHBondContact OD2-OG1 3Å; T518-E520 PolarHBondContact O-N 3.31Å
519	Y	83.9	Confident	79.9	Confident	66 Å²	66	73.6 Å²	73.6	26%	0.259	41%	0.405	S	S	.	.	S	Bend	trans	-69.7	121.5	177.3	-173.6	-105.6	0	0	0	110.9	P440 Q441 D516 L521 K556	P440-Y519 HydrophobicContact CB-CD1 4.01Å; P440-Y519 HydrophobicContact CB-CD2 3.82Å; P440-Y519 HydrophobicContact CB-CE1 4.21Å; P440-Y519 HydrophobicContact CB-CE2 4.03Å; P440-Y519 HydrophobicContact CB-CG 3.82Å; P440-Y519 HydrophobicContact CG-CD1 4.17Å; P440-Y519 HydrophobicContact CG-CD2 3.66Å; P440-Y519 HydrophobicContact CG-CE2 4.36Å; P440-Y519 HydrophobicContact CG-CG 3.56Å; Q441-Y519 HydrophobicContact CG-CD2 4.38Å; D516-Y519 PolarHBondContact O-N 3.41Å; Y519-L521 HydrophobicContact CD1-CD2 4.08Å; Y519-L521 PolarHBondContact O-N 3.1Å; Y519-K556 HydrophobicContact CE1-CB 4Å; Y519-K556 WeakPolarHBondContact CE1-O 3.37Å
520	E	77.7	Confident	78.6	Confident	179 Å²	179	73.4 Å²	73.4	84%	0.836	41%	0.406	S	S	*	.	P	Polyproline II helix	trans	-66.7	117.2	179.3	-69.6	-173.5	172.6	0	0	111.2	T518	T518-E520 PolarHBondContact O-N 3.31Å
521	L	69.5	Low	77.4	Confident	98 Å²	98	72.8 Å²	72.8	51%	0.513	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-87.1	129.3	-179.6	-59.4	176	0	0	0	110.7	Y519 K556	Y519-L521 HydrophobicContact CD1-CD2 4.08Å; Y519-L521 PolarHBondContact O-N 3.1Å; L521-K556 WeakPolarHBondContact CD2-O 3.26Å
522	P	63.2	Low	76.4	Confident	59 Å²	59	74.6 Å²	74.6	38%	0.383	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-63.1	157	165.6	-19.5	33	0	0	0	111.6	A526	P522-A526 HydrophobicContact CB-CB 4.33Å
523	S	68.2	Low	75.4	Confident	72 Å²	72	70 Å²	70	50%	0.503	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-59.3	150.2	176.7	67	0	0	0	0	113.2	S525 A526 L527	S523-S525 VanDerWaalsContact C-N 3.28Å; S523-S525 PolarHBondContact O-N 2.9Å; S523-S525 PolarHBondContact OG-OG 3.36Å; S523-A526 WeakPolarHBondContact O-CA 3.5Å; S523-A526 VanDerWaalsContact O-CB 3.28Å; S523-A526 WeakPolarHBondContact O-CB 3.42Å; S523-A526 PolarHBondContact O-N 3.32Å; S523-A526 WeakPolarHBondContact OG-CB 3.13Å; S523-A526 PolarHBondContact OG-N 3.2Å; S523-L527 PolarHBondContact O-N 3.36Å
524	F	65.1	Low	74.3	Confident	109 Å²	109	69.4 Å²	69.4	48%	0.478	39%	0.389	S	S	.	.	H	α-helix	trans	-59.1	-31.1	-179.8	-175.1	-96	0	0	0	114.4	A526 L527 I528 M558 F590	F524-A526 VanDerWaalsContact C-N 3.34Å; F524-L527 HydrophobicContact CD2-CD2 3.55Å; F524-L527 HydrophobicContact CE2-CD2 3.56Å; F524-L527 HydrophobicContact CG-CD2 4.36Å; F524-L527 HydrophobicContact CZ-CD2 4.36Å; F524-L527 WeakPolarHBondContact O-CB 3.3Å; F524-L527 PolarHBondContact O-N 3.18Å; F524-I528 HydrophobicContact CE1-CG1 4.27Å; F524-I528 HydrophobicContact CZ-CD1 4.47Å; F524-I528 HydrophobicContact CZ-CG1 4.39Å; F524-I528 PolarHBondContact O-N 3.22Å; F524-M558 HydrophobicContact CE2-SD 4.15Å; F524-F590 HydrophobicContact CE2-CE2 4.34Å; F524-F590 HydrophobicContact CE2-CZ 4.36Å; F524-F590 HydrophobicContact CZ-CE2 4.1Å
525	S	65	Low	73.5	Confident	92 Å²	92	61.6 Å²	61.6	64%	0.643	35%	0.352	S	S	*	.	H	α-helix	trans	-69.4	-34.5	173.2	54.1	0	0	0	0	112.1	S523 S529	S523-S525 VanDerWaalsContact C-N 3.28Å; S523-S525 PolarHBondContact O-N 2.9Å; S523-S525 PolarHBondContact OG-OG 3.36Å; S525-S529 PolarHBondContact O-N 3.36Å
526	A	68.3	Low	72.6	Confident	40 Å²	40	62.3 Å²	62.3	33%	0.331	36%	0.356	S	S	.	.	H	α-helix	trans	-68.1	-36.4	173.3	0	0	0	0	0	111.7	P522 S523 F524 S529 A530	P522-A526 HydrophobicContact CB-CB 4.33Å; S523-A526 WeakPolarHBondContact O-CA 3.5Å; S523-A526 VanDerWaalsContact O-CB 3.28Å; S523-A526 WeakPolarHBondContact O-CB 3.42Å; S523-A526 PolarHBondContact O-N 3.32Å; S523-A526 WeakPolarHBondContact OG-CB 3.13Å; S523-A526 PolarHBondContact OG-N 3.2Å; F524-A526 VanDerWaalsContact C-N 3.34Å; A526-S529 PolarHBondContact O-N 3.39Å; A526-A530 WeakPolarHBondContact O-CB 3.47Å; A526-A530 PolarHBondContact O-N 3.24Å
527	L	67.9	Low	71.5	Confident	3 Å²	3	65 Å²	65	2%	0.016	37%	0.368	C	S	.	.	H	α-helix	trans	-53.8	-58.9	174.2	166.3	96.1	0	0	0	111.6	S523 F524 S529 A530 L531 W557 M558	S523-L527 PolarHBondContact O-N 3.36Å; F524-L527 HydrophobicContact CD2-CD2 3.55Å; F524-L527 HydrophobicContact CE2-CD2 3.56Å; F524-L527 HydrophobicContact CG-CD2 4.36Å; F524-L527 HydrophobicContact CZ-CD2 4.36Å; F524-L527 WeakPolarHBondContact O-CB 3.3Å; F524-L527 PolarHBondContact O-N 3.18Å; L527-S529 VanDerWaalsContact C-N 3.32Å; L527-S529 PolarHBondContact O-N 2.98Å; L527-A530 PolarHBondContact O-N 3.03Å; L527-L531 HydrophobicContact CD1-CD1 4.21Å; L527-L531 HydrophobicContact CD1-CG 4.48Å; L527-L531 HydrophobicContact CG-CD1 4.17Å; L527-L531 WeakPolarHBondContact O-CB 3.33Å; L527-L531 WeakPolarHBondContact O-CG 3.46Å; L527-L531 PolarHBondContact O-N 2.83Å; L527-W557 HydrophobicContact CB-CE3 4.1Å; L527-W557 HydrophobicContact CD1-CB 3.19Å; L527-W557 HydrophobicContact CD1-CD2 3.68Å; L527-W557 HydrophobicContact CD1-CE3 3.19Å; L527-W557 HydrophobicContact CD1-CG 3.77Å; L527-W557 HydrophobicContact CD1-CZ3 4.24Å; L527-W557 HydrophobicContact CG-CE3 3.94Å; L527-W557 WeakPolarHBondContact O-CZ3 3.42Å; L527-M558 HydrophobicContact CD1-CE 3.97Å; L527-M558 HydrophobicContact CD1-CG 4.36Å; L527-M558 HydrophobicContact CD2-CE 3.65Å; L527-M558 HydrophobicContact CD2-CG 4.38Å; L527-M558 HydrophobicContact CD2-SD 3.82Å; L527-M558 HydrophobicContact CG-CE 4.45Å
528	I	68.8	Low	70.3	Confident	21 Å²	21	63 Å²	63	11%	0.108	37%	0.365	C	S	.	.	H	α-helix	trans	-64.3	-40.6	-175.4	-61.8	-59.8	0	0	0	111.1	F524 A530 R532	F524-I528 HydrophobicContact CE1-CG1 4.27Å; F524-I528 HydrophobicContact CZ-CD1 4.47Å; F524-I528 HydrophobicContact CZ-CG1 4.39Å; F524-I528 PolarHBondContact O-N 3.22Å; I528-A530 VanDerWaalsContact C-N 3.31Å; I528-A530 PolarHBondContact O-N 3.16Å; I528-R532 VanDerWaalsContact O-CB 3.29Å; I528-R532 WeakPolarHBondContact O-CB 3.48Å; I528-R532 PolarHBondContact O-N 2.81Å
529	S	70.8	Confident	68.9	Low	81 Å²	81	62.9 Å²	62.9	57%	0.566	36%	0.357	S	S	*	.	H	α-helix	trans	-62.4	-39.8	176.6	-172.2	0	0	0	0	112	S525 A526 L527 S533	S525-S529 PolarHBondContact O-N 3.36Å; A526-S529 PolarHBondContact O-N 3.39Å; L527-S529 VanDerWaalsContact C-N 3.32Å; L527-S529 PolarHBondContact O-N 2.98Å; S529-S533 WeakPolarHBondContact O-CB 3.34Å; S529-S533 PolarHBondContact O-N 3.24Å
530	A	70.1	Confident	67.9	Low	29 Å²	29	70.6 Å²	70.6	24%	0.24	39%	0.392	C	S	.	.	H	α-helix	trans	-83.1	-35.2	-175.7	0	0	0	0	0	112.2	A526 L527 I528 R532 S533 D534 W557	A526-A530 WeakPolarHBondContact O-CB 3.47Å; A526-A530 PolarHBondContact O-N 3.24Å; L527-A530 PolarHBondContact O-N 3.03Å; I528-A530 VanDerWaalsContact C-N 3.31Å; I528-A530 PolarHBondContact O-N 3.16Å; A530-R532 VanDerWaalsContact C-N 3.31Å; A530-R532 PolarHBondContact O-N 2.04Å; A530-S533 WeakPolarHBondContact O-CB 3.37Å; A530-S533 PolarHBondContact O-N 3Å; A530-D534 WeakPolarHBondContact O-CB 3.42Å; A530-D534 PolarHBondContact O-N 3.36Å; A530-W557 HydrophobicContact CB-CH2 3.09Å; A530-W557 HydrophobicContact CB-CZ2 3.86Å; A530-W557 HydrophobicContact CB-CZ3 3.75Å
531	L	70.8	Confident	67.5	Low	1 Å²	1	64.6 Å²	64.6	1%	0.005	36%	0.364	C	S	.	.	H	α-helix	trans	-59.5	-42.7	167.4	-73.3	-178.4	0	0	0	111.3	L527 W535 F550 N553 L554 W557 F573	L527-L531 HydrophobicContact CD1-CD1 4.21Å; L527-L531 HydrophobicContact CD1-CG 4.48Å; L527-L531 HydrophobicContact CG-CD1 4.17Å; L527-L531 WeakPolarHBondContact O-CB 3.33Å; L527-L531 WeakPolarHBondContact O-CG 3.46Å; L527-L531 PolarHBondContact O-N 2.83Å; L531-W535 WeakPolarHBondContact O-CB 3.45Å; L531-W535 PolarHBondContact O-N 3.1Å; L531-W535 VanDerWaalsContact O-N 3.09Å; L531-F550 HydrophobicContact CB-CE2 4.07Å; L531-F550 HydrophobicContact CD1-CE2 4.26Å; L531-F550 HydrophobicContact CD1-CZ 4.41Å; L531-F550 HydrophobicContact CD2-CD2 3.95Å; L531-F550 HydrophobicContact CD2-CE2 3.88Å; L531-F550 HydrophobicContact CD2-CZ 4.43Å; L531-F550 HydrophobicContact CG-CE2 4.28Å; L531-N553 HydrophobicContact CD2-CB 4.38Å; L531-L554 HydrophobicContact CD1-CD1 3.89Å; L531-L554 HydrophobicContact CD2-CB 4.23Å; L531-W557 HydrophobicContact CB-CZ3 4.42Å; L531-W557 HydrophobicContact CD2-CE3 3.97Å; L531-W557 HydrophobicContact CD2-CZ3 3.71Å; L531-W557 HydrophobicContact CG-CE3 3.97Å; L531-W557 HydrophobicContact CG-CZ3 3.66Å; L531-F573 HydrophobicContact CB-CE1 4.37Å; L531-F573 HydrophobicContact CB-CZ 4.13Å
532	R	73.4	Confident	67.9	Low	97 Å²	97	64.8 Å²	64.8	37%	0.366	37%	0.366	S	S	.	.	H	α-helix	trans	-60.4	-53.6	173.1	-169.5	179.2	-65	-177.5	0.1	109.2	I528 A530 D534 W535 C536 C580	I528-R532 VanDerWaalsContact O-CB 3.29Å; I528-R532 WeakPolarHBondContact O-CB 3.48Å; I528-R532 PolarHBondContact O-N 2.81Å; A530-R532 VanDerWaalsContact C-N 3.31Å; A530-R532 PolarHBondContact O-N 2.04Å; R532-D534 VanDerWaalsContact C-N 3.35Å; R532-D534 PolarHBondContact O-N 3.39Å; R532-W535 PolarHBondContact O-N 2.97Å; R532-C536 VanDerWaalsContact CG-SG 3.58Å; R532-C536 WeakPolarHBondContact O-CA 3.35Å; R532-C536 WeakPolarHBondContact O-CB 3.25Å; R532-C536 PolarHBondContact O-N 3.37Å; R532-C536 PolarHBondContact O-SG 3.1Å; R532-C580 HydrophobicContact CG-CB 4.37Å
533	S	72.6	Confident	68.6	Low	49 Å²	49	66.6 Å²	66.6	34%	0.343	37%	0.372	S	S	.	.	H	α-helix	trans	-51.9	-48.5	177.5	-167.6	0	0	0	0	113	S529 A530 W535 C536 Q537	S529-S533 WeakPolarHBondContact O-CB 3.34Å; S529-S533 PolarHBondContact O-N 3.24Å; A530-S533 WeakPolarHBondContact O-CB 3.37Å; A530-S533 PolarHBondContact O-N 3Å; S533-W535 PolarHBondContact O-N 3.24Å; S533-C536 PolarHBondContact O-N 3.01Å; S533-Q537 WeakPolarHBondContact O-CB 3.49Å; S533-Q537 WeakPolarHBondContact O-CG 3.28Å; S533-Q537 PolarHBondContact O-N 3.49Å; S533-Q537 PolarHBondContact OG-NE2 2.98Å
534	D	69.3	Low	69.3	Low	27 Å²	27	65.7 Å²	65.7	14%	0.144	36%	0.359	C	S	.	.	H	α-helix	trans	-64.5	-36.8	-178	-68.5	-30.7	0	0	0	113.5	A530 R532 R549 N553	A530-D534 WeakPolarHBondContact O-CB 3.42Å; A530-D534 PolarHBondContact O-N 3.36Å; R532-D534 VanDerWaalsContact C-N 3.35Å; R532-D534 PolarHBondContact O-N 3.39Å; D534-R549 PolarHBondContact O-NH2 3.31Å; D534-R549 VanDerWaalsContact O-NH2 3.12Å; D534-N553 PolarHBondContact OD2-ND2 3.5Å
535	W	72.9	Confident	70	Confident	7 Å²	7	62.7 Å²	62.7	3%	0.027	35%	0.348	C	S	.	.	H	α-helix	trans	-82.6	-25.6	177.5	-160.8	-93.3	0	0	0	112.8	L531 R532 S533 K546 K547 F550 F573 I574 G577	L531-W535 WeakPolarHBondContact O-CB 3.45Å; L531-W535 PolarHBondContact O-N 3.1Å; L531-W535 VanDerWaalsContact O-N 3.09Å; R532-W535 PolarHBondContact O-N 2.97Å; S533-W535 PolarHBondContact O-N 3.24Å; W535-K546 VanDerWaalsContact C-CE 3.45Å; W535-K546 HydrophobicContact CE3-CG 4.42Å; W535-K546 WeakPolarHBondContact O-CE 3.36Å; W535-K546 PolarHBondContact O-NZ 2.82Å; W535-K547 HydrophobicContact CH2-CG 3.99Å; W535-K547 HydrophobicContact CZ3-CG 4.4Å; W535-F550 HydrophobicContact CD2-CD2 4.45Å; W535-F550 HydrophobicContact CE3-CB 3.68Å; W535-F550 AromaticContact CE3-CD2 3.64Å; W535-F550 HydrophobicContact CE3-CD2 3.64Å; W535-F550 HydrophobicContact CE3-CE2 4.46Å; W535-F550 AromaticContact CE3-CG 3.73Å; W535-F550 HydrophobicContact CE3-CG 3.73Å; W535-F550 HydrophobicContact CZ3-CB 3.72Å; W535-F550 HydrophobicContact CZ3-CD1 4.46Å; W535-F550 HydrophobicContact CZ3-CD2 4.25Å; W535-F550 AromaticContact CZ3-CG 3.9Å; W535-F550 HydrophobicContact CZ3-CG 3.9Å; W535-F573 HydrophobicContact CB-CD1 4Å; W535-F573 HydrophobicContact CD2-CB 4.16Å; W535-F573 HydrophobicContact CG-CB 4.39Å; W535-F573 AromaticContact CG-CD1 3.98Å; W535-F573 HydrophobicContact CG-CD1 3.98Å; W535-F573 PolarHBondContact NE1-O 2.85Å; W535-I574 HydrophobicContact CH2-CD1 3.52Å; W535-I574 HydrophobicContact CH2-CG1 3.81Å; W535-I574 HydrophobicContact CZ2-CB 4.38Å; W535-I574 HydrophobicContact CZ2-CD1 3.72Å; W535-I574 HydrophobicContact CZ2-CG1 3.87Å; W535-G577 PolarHBondContact NE1-O 3.41Å
536	C	70.7	Confident	70.8	Confident	32 Å²	32	59 Å²	59	22%	0.216	32%	0.321	C	S	.	.	H	α-helix	trans	-93.8	-21	-172.7	-77.3	0	0	0	0	114.7	R532 S533 A538 C580	R532-C536 VanDerWaalsContact CG-SG 3.58Å; R532-C536 WeakPolarHBondContact O-CA 3.35Å; R532-C536 WeakPolarHBondContact O-CB 3.25Å; R532-C536 PolarHBondContact O-N 3.37Å; R532-C536 PolarHBondContact O-SG 3.1Å; S533-C536 PolarHBondContact O-N 3.01Å; C536-A538 PolarHBondContact O-N 3.34Å; C536-C580 WeakPolarHBondContact CA-SG 3.28Å; C536-C580 HydrophobicContact CB-CB 4.01Å; C536-C580 WeakPolarHBondContact CB-SG 3.37Å; C536-C580 VanDerWaalsContact SG-CA 3.55Å; C536-C580 WeakPolarHBondContact SG-CB 3.4Å; C536-C580 CovalentContact SG-SG 1.98Å; C536-C580 PolarHBondContact SG-SG 2.84Å
537	Q	66.1	Low	71.5	Confident	78 Å²	78	58.9 Å²	58.9	36%	0.364	31%	0.313	S	S	.	.	S	Bend	trans	-62.7	126.8	176.4	-78.1	170.2	22.5	0	0	109.7	S533 H539 K546	S533-Q537 WeakPolarHBondContact O-CB 3.49Å; S533-Q537 WeakPolarHBondContact O-CG 3.28Å; S533-Q537 PolarHBondContact O-N 3.49Å; S533-Q537 PolarHBondContact OG-NE2 2.98Å; Q537-H539 VanDerWaalsContact CB-CD2 3.47Å; Q537-H539 WeakPolarHBondContact CB-CD2 3.47Å; Q537-H539 PolarHBondContact O-N 3.31Å; Q537-H539 PolarHBondContact OE1-CD2 2.99Å; Q537-H539 PolarHBondContact OE1-NE2 3.49Å; Q537-K546 PolarHBondContact O-NZ 3.5Å
538	A	56.4	Low	72.5	Confident	90 Å²	90	59 Å²	59	74%	0.744	31%	0.313	S	S	*	.			trans	-73.2	61.1	171.5	0	0	0	0	0	109.5	C536	C536-A538 PolarHBondContact O-N 3.34Å
539	H	57	Low	73.3	Confident	90 Å²	90	59.7 Å²	59.7	42%	0.417	32%	0.315	S	S	.	.			trans	-74.2	142	172.3	-78.2	-55.4	0	0	0	109.6	Q537 E541	Q537-H539 VanDerWaalsContact CB-CD2 3.47Å; Q537-H539 WeakPolarHBondContact CB-CD2 3.47Å; Q537-H539 PolarHBondContact O-N 3.31Å; Q537-H539 PolarHBondContact OE1-CD2 2.99Å; Q537-H539 PolarHBondContact OE1-NE2 3.49Å; H539-E541 HydrophobicContact CB-CB 3.87Å; H539-E541 PolarHBondContact O-N 3.3Å
540	K	62.3	Low	74	Confident	229 Å²	229	55.9 Å²	55.9	100%	0.996	29%	0.288	S	S	*	.	S	Bend	trans	-71.9	40.5	165.8	-69	-176.5	176.1	-179.7	0	111.3
541	E	69.5	Low	74.9	Confident	52 Å²	52	54.6 Å²	54.6	24%	0.243	28%	0.277	C	S	.	.			trans	-104.1	145	-175.2	-177.1	179.5	-153.3	0	0	109.8	H539 N545 R549	H539-E541 HydrophobicContact CB-CB 3.87Å; H539-E541 PolarHBondContact O-N 3.3Å; E541-N545 HydrophobicContact CG-CB 3.68Å; E541-N545 VanDerWaalsContact OE1-CB 3.25Å; E541-N545 WeakPolarHBondContact OE1-CB 3.44Å; E541-R549 IonicContact OE1-NH1 3.83Å; E541-R549 IonicContact OE2-CZ 2.73Å; E541-R549 IonicContact OE2-NH1 2.68Å; E541-R549 PolarHBondContact OE2-NH1 3.44Å; E541-R549 IonicContact OE2-NH2 2.62Å; E541-R549 PolarHBondContact OE2-NH2 2.73Å
542	D	77.1	Confident	75.7	Confident	102 Å²	102	54.6 Å²	54.6	55%	0.545	28%	0.277	S	S	.	.			trans	-60.2	142.9	176.1	-178.2	74	0	0	0	111.5	Q544 N545 K546	D542-Q544 PolarHBondContact O-N 3.05Å; D542-Q544 VanDerWaalsContact O-N 3.13Å; D542-Q544 VanDerWaalsContact OD2-CB 3.28Å; D542-Q544 WeakPolarHBondContact OD2-CB 3.47Å; D542-Q544 PolarHBondContact OD2-N 3.38Å; D542-N545 PolarHBondContact O-N 2.95Å; D542-K546 PolarHBondContact O-N 2.74Å; D542-K546 VanDerWaalsContact O-N 3.13Å
543	L	79.2	Confident	76.3	Confident	97 Å²	97	51.5 Å²	51.5	51%	0.508	27%	0.268	S	S	.	.	H	α-helix	trans	-56.4	-33.1	-177.1	179.9	61.9	0	0	0	112.4	K546 K547	L543-K546 PolarHBondContact O-N 3.33Å; L543-K547 VanDerWaalsContact O-CG 3.31Å; L543-K547 WeakPolarHBondContact O-CG 3.45Å; L543-K547 PolarHBondContact O-N 3.42Å
544	Q	81.4	Confident	76.9	Confident	53 Å²	53	49.2 Å²	49.2	25%	0.248	25%	0.251	C	S	.	.	H	α-helix	trans	-69.8	-40.2	178.1	-66.9	-65.2	-5.7	0	0	112.5	D425 D542 K546 K547 H548	D425-Q544 PolarHBondContact OD2-NE2 3.19Å; D542-Q544 PolarHBondContact O-N 3.05Å; D542-Q544 VanDerWaalsContact O-N 3.13Å; D542-Q544 VanDerWaalsContact OD2-CB 3.28Å; D542-Q544 WeakPolarHBondContact OD2-CB 3.47Å; D542-Q544 PolarHBondContact OD2-N 3.38Å; Q544-K546 VanDerWaalsContact C-N 3.3Å; Q544-K546 PolarHBondContact O-N 2.89Å; Q544-K547 WeakPolarHBondContact O-CB 3.32Å; Q544-K547 PolarHBondContact O-N 2.91Å; Q544-H548 VanDerWaalsContact O-CG 3.28Å; Q544-H548 PolarHBondContact O-N 3.11Å; Q544-H548 PolarHBondContact O-ND1 3.09Å
545	N	80.9	Confident	77.8	Confident	46 Å²	46	48 Å²	48	25%	0.246	25%	0.245	C	C	.	.	H	α-helix	trans	-66.1	-36.5	175.9	-75.2	-3	0	0	0	111.5	E541 D542 K547 H548 R549	E541-N545 HydrophobicContact CG-CB 3.68Å; E541-N545 VanDerWaalsContact OE1-CB 3.25Å; E541-N545 WeakPolarHBondContact OE1-CB 3.44Å; D542-N545 PolarHBondContact O-N 2.95Å; N545-K547 PolarHBondContact O-N 3.29Å; N545-H548 PolarHBondContact O-N 3.34Å; N545-R549 WeakPolarHBondContact O-CB 3.49Å; N545-R549 PolarHBondContact O-N 3.14Å
546	K	80.9	Confident	78.4	Confident	15 Å²	15	48.9 Å²	48.9	7%	0.065	25%	0.249	C	C	.	.	H	α-helix	trans	-60.5	-43.5	172.3	-168.3	167.9	-179	169.8	0	112.1	W535 Q537 D542 L543 Q544 F550 E578	W535-K546 VanDerWaalsContact C-CE 3.45Å; W535-K546 HydrophobicContact CE3-CG 4.42Å; W535-K546 WeakPolarHBondContact O-CE 3.36Å; W535-K546 PolarHBondContact O-NZ 2.82Å; Q537-K546 PolarHBondContact O-NZ 3.5Å; D542-K546 PolarHBondContact O-N 2.74Å; D542-K546 VanDerWaalsContact O-N 3.13Å; L543-K546 PolarHBondContact O-N 3.33Å; Q544-K546 VanDerWaalsContact C-N 3.3Å; Q544-K546 PolarHBondContact O-N 2.89Å; K546-F550 WeakPolarHBondContact O-CB 3.36Å; K546-F550 PolarHBondContact O-N 3.08Å; K546-F550 VanDerWaalsContact O-N 3.07Å; K546-E578 IonicContact NZ-OE1 3.82Å
547	K	84.1	Confident	78.8	Confident	37 Å²	37	49.2 Å²	49.2	16%	0.161	25%	0.246	C	C	.	.	H	α-helix	trans	-60.9	-45.7	172.9	-72.9	170.3	174.1	-179	0	112.4	W535 L543 Q544 N545 F550 M551 F570 I574	W535-K547 HydrophobicContact CH2-CG 3.99Å; W535-K547 HydrophobicContact CZ3-CG 4.4Å; L543-K547 VanDerWaalsContact O-CG 3.31Å; L543-K547 WeakPolarHBondContact O-CG 3.45Å; L543-K547 PolarHBondContact O-N 3.42Å; Q544-K547 WeakPolarHBondContact O-CB 3.32Å; Q544-K547 PolarHBondContact O-N 2.91Å; N545-K547 PolarHBondContact O-N 3.29Å; K547-F550 PolarHBondContact O-N 3.5Å; K547-M551 PolarHBondContact O-N 3.4Å; K547-F570 HydrophobicContact CB-CE2 3.9Å; K547-F570 HydrophobicContact CB-CZ 3.8Å; K547-F570 HydrophobicContact CD-CZ 3.88Å; K547-F570 HydrophobicContact CG-CE2 3.96Å; K547-F570 HydrophobicContact CG-CZ 3.58Å; K547-I574 HydrophobicContact CD-CD1 4.29Å; K547-I574 HydrophobicContact CG-CD1 4.07Å
548	H	87.9	Confident	79.5	Confident	6 Å²	6	47 Å²	47	3%	0.028	24%	0.236	C	C	.	.	H	α-helix	trans	-63.5	-46.8	178.1	-66.9	148.8	0	0	0	112	Q428 L432 L444 I448 Q544 N545 F550 M551 V552	Q428-H548 VanDerWaalsContact CD-CE1 3.5Å; Q428-H548 PolarHBondContact NE2-CE1 3.12Å; Q428-H548 VanDerWaalsContact NE2-CE1 3.25Å; L432-H548 HydrophobicContact CD2-CB 3.76Å; L444-H548 HydrophobicContact CD1-CB 4.4Å; I448-H548 HydrophobicContact CD1-CB 3.75Å; I448-H548 HydrophobicContact CG1-CB 4.03Å; Q544-H548 VanDerWaalsContact O-CG 3.28Å; Q544-H548 PolarHBondContact O-N 3.11Å; Q544-H548 PolarHBondContact O-ND1 3.09Å; N545-H548 PolarHBondContact O-N 3.34Å; H548-F550 VanDerWaalsContact C-N 3.31Å; H548-F550 PolarHBondContact O-N 3.39Å; H548-M551 PolarHBondContact O-N 3.37Å; H548-V552 WeakPolarHBondContact O-CB 3.37Å; H548-V552 WeakPolarHBondContact O-CG2 3.39Å; H548-V552 PolarHBondContact O-N 3.2Å
549	R	86.4	Confident	80.7	Confident	36 Å²	36	44 Å²	44	14%	0.136	21%	0.208	C	C	.	.	H	α-helix	trans	-55.7	-48.6	176.2	-179.2	170.6	60.6	-130.5	-8.4	111	L444 D534 E541 N545 M551 V552 N553	L444-R549 HydrophobicContact CD2-CB 3.64Å; L444-R549 HydrophobicContact CD2-CG 4.04Å; D534-R549 PolarHBondContact O-NH2 3.31Å; D534-R549 VanDerWaalsContact O-NH2 3.12Å; E541-R549 IonicContact OE1-NH1 3.83Å; E541-R549 IonicContact OE2-CZ 2.73Å; E541-R549 IonicContact OE2-NH1 2.68Å; E541-R549 PolarHBondContact OE2-NH1 3.44Å; E541-R549 IonicContact OE2-NH2 2.62Å; E541-R549 PolarHBondContact OE2-NH2 2.73Å; N545-R549 WeakPolarHBondContact O-CB 3.49Å; N545-R549 PolarHBondContact O-N 3.14Å; R549-M551 PolarHBondContact O-N 3.18Å; R549-V552 PolarHBondContact O-N 3.38Å; R549-N553 WeakPolarHBondContact O-CB 2.83Å; R549-N553 PolarHBondContact O-N 2.82Å
550	F	85.3	Confident	81.9	Confident	1 Å²	1	46.4 Å²	46.4	0%	0.004	22%	0.22	C	C	.	.	H	α-helix	trans	-57.1	-48.9	177.6	177.4	-87.4	0	0	0	111.7	L531 W535 K546 K547 H548 N553 L554 F570 F573	L531-F550 HydrophobicContact CB-CE2 4.07Å; L531-F550 HydrophobicContact CD1-CE2 4.26Å; L531-F550 HydrophobicContact CD1-CZ 4.41Å; L531-F550 HydrophobicContact CD2-CD2 3.95Å; L531-F550 HydrophobicContact CD2-CE2 3.88Å; L531-F550 HydrophobicContact CD2-CZ 4.43Å; L531-F550 HydrophobicContact CG-CE2 4.28Å; W535-F550 HydrophobicContact CD2-CD2 4.45Å; W535-F550 HydrophobicContact CE3-CB 3.68Å; W535-F550 AromaticContact CE3-CD2 3.64Å; W535-F550 HydrophobicContact CE3-CD2 3.64Å; W535-F550 HydrophobicContact CE3-CE2 4.46Å; W535-F550 AromaticContact CE3-CG 3.73Å; W535-F550 HydrophobicContact CE3-CG 3.73Å; W535-F550 HydrophobicContact CZ3-CB 3.72Å; W535-F550 HydrophobicContact CZ3-CD1 4.46Å; W535-F550 HydrophobicContact CZ3-CD2 4.25Å; W535-F550 AromaticContact CZ3-CG 3.9Å; W535-F550 HydrophobicContact CZ3-CG 3.9Å; K546-F550 WeakPolarHBondContact O-CB 3.36Å; K546-F550 PolarHBondContact O-N 3.08Å; K546-F550 VanDerWaalsContact O-N 3.07Å; K547-F550 PolarHBondContact O-N 3.5Å; H548-F550 VanDerWaalsContact C-N 3.31Å; H548-F550 PolarHBondContact O-N 3.39Å; F550-N553 PolarHBondContact O-N 3.1Å; F550-L554 HydrophobicContact CE1-CD2 4.04Å; F550-L554 VanDerWaalsContact O-CB 3.23Å; F550-L554 WeakPolarHBondContact O-CB 3.43Å; F550-L554 PolarHBondContact O-N 3.18Å; F550-F570 AromaticContact CD1-CD2 3.76Å; F550-F570 HydrophobicContact CD1-CD2 3.76Å; F550-F570 HydrophobicContact CD1-CE2 4.32Å; F550-F570 HydrophobicContact CE1-CB 4.45Å; F550-F570 AromaticContact CE1-CD2 3.97Å; F550-F570 HydrophobicContact CE1-CD2 3.97Å; F550-F573 HydrophobicContact CD2-CD1 4.47Å; F550-F573 HydrophobicContact CD2-CG 4.49Å; F550-F573 HydrophobicContact CE2-CB 4.01Å; F550-F573 AromaticContact CE2-CD1 3.69Å; F550-F573 HydrophobicContact CE2-CD1 3.69Å; F550-F573 AromaticContact CE2-CD2 3.67Å; F550-F573 HydrophobicContact CE2-CD2 3.67Å; F550-F573 HydrophobicContact CE2-CE1 4Å; F550-F573 AromaticContact CE2-CE2 3.98Å; F550-F573 HydrophobicContact CE2-CE2 3.98Å; F550-F573 AromaticContact CE2-CG 3.51Å; F550-F573 HydrophobicContact CE2-CG 3.51Å; F550-F573 HydrophobicContact CE2-CZ 4.13Å; F550-F573 HydrophobicContact CZ-CB 4.08Å; F550-F573 HydrophobicContact CZ-CD1 4.38Å; F550-F573 AromaticContact CZ-CD2 3.54Å; F550-F573 HydrophobicContact CZ-CD2 3.54Å; F550-F573 HydrophobicContact CZ-CE2 4Å; F550-F573 AromaticContact CZ-CG 3.74Å; F550-F573 HydrophobicContact CZ-CG 3.74Å
551	M	87.9	Confident	82.9	Confident	2 Å²	2	35.8 Å²	35.8	1%	0.01	17%	0.174	C	C	.	.	H	α-helix	trans	-65.3	-43.2	-179	-170.8	64.2	49.5	0	0	112.2	L429 V433 K547 H548 R549 L554 V555 R566 F570	L429-M551 HydrophobicContact CD1-CB 3.65Å; L429-M551 HydrophobicContact CD1-CE 4.07Å; L429-M551 HydrophobicContact CD1-CG 3.44Å; L429-M551 VanDerWaalsContact CD1-CG 3.44Å; L429-M551 HydrophobicContact CD1-SD 4.37Å; L429-M551 HydrophobicContact CD2-CE 3.83Å; L429-M551 HydrophobicContact CG-CE 4.27Å; L429-M551 HydrophobicContact CG-CG 4.07Å; V433-M551 HydrophobicContact CG2-CG 3.71Å; V433-M551 HydrophobicContact CG2-SD 3.97Å; K547-M551 PolarHBondContact O-N 3.4Å; H548-M551 PolarHBondContact O-N 3.37Å; R549-M551 PolarHBondContact O-N 3.18Å; M551-L554 PolarHBondContact O-N 3.3Å; M551-L554 HydrophobicContact SD-CD2 4.25Å; M551-V555 HydrophobicContact CG-CG2 4.36Å; M551-V555 VanDerWaalsContact O-CG2 3.26Å; M551-V555 WeakPolarHBondContact O-CG2 3.32Å; M551-V555 PolarHBondContact O-N 2.99Å; M551-V555 HydrophobicContact SD-CG2 4.28Å; M551-R566 HydrophobicContact SD-CB 4.37Å; M551-R566 HydrophobicContact SD-CG 4.3Å; M551-F570 HydrophobicContact CE-CB 4.17Å; M551-F570 HydrophobicContact CE-CD2 3.64Å; M551-F570 HydrophobicContact CE-CE2 4.2Å; M551-F570 HydrophobicContact CE-CG 4.03Å
552	V	89.3	Confident	83.7	Confident	1 Å²	1	36 Å²	36	1%	0.006	18%	0.179	C	C	.	.	H	α-helix	trans	-60.9	-49.1	178	167.7	0	0	0	0	110.2	L432 T436 L444 L447 H548 R549 L554 V555 K556	L432-V552 HydrophobicContact CD1-CG2 3.72Å; L432-V552 HydrophobicContact CD2-CG2 3.83Å; L432-V552 HydrophobicContact CG-CG2 3.7Å; T436-V552 HydrophobicContact CG2-CG1 4.11Å; L444-V552 HydrophobicContact CD1-CB 3.95Å; L444-V552 HydrophobicContact CD1-CG1 4.29Å; L444-V552 HydrophobicContact CD1-CG2 3.63Å; L447-V552 HydrophobicContact CD1-CG1 3.72Å; L447-V552 HydrophobicContact CD1-CG2 4.25Å; H548-V552 WeakPolarHBondContact O-CB 3.37Å; H548-V552 WeakPolarHBondContact O-CG2 3.39Å; H548-V552 PolarHBondContact O-N 3.2Å; R549-V552 PolarHBondContact O-N 3.38Å; V552-L554 VanDerWaalsContact C-N 3.33Å; V552-L554 PolarHBondContact O-N 3.42Å; V552-V555 PolarHBondContact O-N 3.09Å; V552-K556 HydrophobicContact CG1-CD 4.02Å; V552-K556 VanDerWaalsContact CG1-CE 3.44Å; V552-K556 HydrophobicContact CG1-CG 4.27Å; V552-K556 WeakPolarHBondContact O-CB 3.49Å; V552-K556 VanDerWaalsContact O-CG 3.29Å; V552-K556 WeakPolarHBondContact O-CG 3.26Å; V552-K556 PolarHBondContact O-N 2.94Å
553	N	85.4	Confident	83.9	Confident	32 Å²	32	33.8 Å²	33.8	17%	0.171	18%	0.175	C	C	.	.	H	α-helix	trans	-64.3	-40.2	179.5	-69.7	-12.2	0	0	0	111.5	L531 D534 R549 F550 V555 K556 W557	L531-N553 HydrophobicContact CD2-CB 4.38Å; D534-N553 PolarHBondContact OD2-ND2 3.5Å; R549-N553 WeakPolarHBondContact O-CB 2.83Å; R549-N553 PolarHBondContact O-N 2.82Å; F550-N553 PolarHBondContact O-N 3.1Å; N553-V555 PolarHBondContact O-N 3.08Å; N553-K556 PolarHBondContact O-N 3.06Å; N553-W557 HydrophobicContact CB-CE3 4.28Å; N553-W557 HydrophobicContact CB-CH2 4.19Å; N553-W557 HydrophobicContact CB-CZ2 4.45Å; N553-W557 HydrophobicContact CB-CZ3 4.16Å; N553-W557 WeakPolarHBondContact O-CB 3.28Å; N553-W557 VanDerWaalsContact O-CD2 3.26Å; N553-W557 PolarHBondContact O-N 2.65Å
554	L	85	Confident	84.2	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-57.6	-47.5	174.1	-179.9	65.1	0	0	0	112.1	L531 F550 M551 V552 W557 M558 I561 R566 L569	L531-L554 HydrophobicContact CD1-CD1 3.89Å; L531-L554 HydrophobicContact CD2-CB 4.23Å; F550-L554 HydrophobicContact CE1-CD2 4.04Å; F550-L554 VanDerWaalsContact O-CB 3.23Å; F550-L554 WeakPolarHBondContact O-CB 3.43Å; F550-L554 PolarHBondContact O-N 3.18Å; M551-L554 PolarHBondContact O-N 3.3Å; M551-L554 HydrophobicContact SD-CD2 4.25Å; V552-L554 VanDerWaalsContact C-N 3.33Å; V552-L554 PolarHBondContact O-N 3.42Å; L554-W557 PolarHBondContact O-N 3.19Å; L554-M558 HydrophobicContact CD1-CE 3.27Å; L554-M558 HydrophobicContact CG-CE 4.46Å; L554-M558 PolarHBondContact O-N 3.11Å; L554-I561 HydrophobicContact CD1-CD1 3.89Å; L554-I561 HydrophobicContact CD2-CD1 4.02Å; L554-I561 HydrophobicContact CG-CD1 4.04Å; L554-R566 HydrophobicContact CD2-CB 4.41Å; L554-R566 HydrophobicContact CD2-CG 4.05Å; L554-L569 HydrophobicContact CD1-CD1 3.72Å; L554-L569 HydrophobicContact CD2-CD1 4.22Å
555	V	88.4	Confident	84.3	Confident	1 Å²	1	34.2 Å²	34.2	1%	0.006	17%	0.174	C	C	.	.	H	α-helix	trans	-73.1	-38.2	-178.4	175.6	0	0	0	0	112	V433 T436 K437 M551 V552 N553 W557 M558 P559	V433-V555 HydrophobicContact CB-CG2 4.34Å; V433-V555 HydrophobicContact CG1-CG1 4.37Å; V433-V555 HydrophobicContact CG1-CG2 3.97Å; V433-V555 HydrophobicContact CG2-CG2 3.95Å; T436-V555 HydrophobicContact CG2-CB 3.84Å; T436-V555 HydrophobicContact CG2-CG1 3.73Å; K437-V555 HydrophobicContact CG-CG1 3.56Å; M551-V555 HydrophobicContact CG-CG2 4.36Å; M551-V555 VanDerWaalsContact O-CG2 3.26Å; M551-V555 WeakPolarHBondContact O-CG2 3.32Å; M551-V555 PolarHBondContact O-N 2.99Å; M551-V555 HydrophobicContact SD-CG2 4.28Å; V552-V555 PolarHBondContact O-N 3.09Å; N553-V555 PolarHBondContact O-N 3.08Å; V555-W557 PolarHBondContact O-N 3Å; V555-M558 CarbonylContact O-C 3.48Å; V555-P559 VanDerWaalsContact O-CA 3.28Å; V555-P559 WeakPolarHBondContact O-CA 3.49Å; V555-P559 VanDerWaalsContact O-N 3.15Å
556	K	86	Confident	84.6	Confident	26 Å²	26	34 Å²	34	11%	0.113	17%	0.17	C	C	.	.	H	α-helix	trans	-59.3	-35.5	173.8	-75	-172.9	-176.8	-158.6	0	111.5	T436 P440 L442 Y519 L521 V552 N553	T436-K556 HydrophobicContact CG2-CG 3.53Å; P440-K556 HydrophobicContact CB-CG 3.93Å; P440-K556 WeakPolarHBondContact O-CD 3.37Å; P440-K556 WeakPolarHBondContact O-CE 3.33Å; P440-K556 PolarHBondContact O-NZ 3.08Å; L442-K556 PolarHBondContact O-NZ 3.5Å; Y519-K556 HydrophobicContact CE1-CB 4Å; Y519-K556 WeakPolarHBondContact CE1-O 3.37Å; L521-K556 WeakPolarHBondContact CD2-O 3.26Å; V552-K556 HydrophobicContact CG1-CD 4.02Å; V552-K556 VanDerWaalsContact CG1-CE 3.44Å; V552-K556 HydrophobicContact CG1-CG 4.27Å; V552-K556 WeakPolarHBondContact O-CB 3.49Å; V552-K556 VanDerWaalsContact O-CG 3.29Å; V552-K556 WeakPolarHBondContact O-CG 3.26Å; V552-K556 PolarHBondContact O-N 2.94Å; N553-K556 PolarHBondContact O-N 3.06Å
557	W	79.4	Confident	84.6	Confident	40 Å²	40	38.3 Å²	38.3	15%	0.152	19%	0.19	C	C	.	.	H	α-helix	trans	-90.1	-29.3	-175.9	-65.4	-17.9	0	0	0	114.3	L527 A530 L531 N553 L554 V555	L527-W557 HydrophobicContact CB-CE3 4.1Å; L527-W557 HydrophobicContact CD1-CB 3.19Å; L527-W557 HydrophobicContact CD1-CD2 3.68Å; L527-W557 HydrophobicContact CD1-CE3 3.19Å; L527-W557 HydrophobicContact CD1-CG 3.77Å; L527-W557 HydrophobicContact CD1-CZ3 4.24Å; L527-W557 HydrophobicContact CG-CE3 3.94Å; L527-W557 WeakPolarHBondContact O-CZ3 3.42Å; A530-W557 HydrophobicContact CB-CH2 3.09Å; A530-W557 HydrophobicContact CB-CZ2 3.86Å; A530-W557 HydrophobicContact CB-CZ3 3.75Å; L531-W557 HydrophobicContact CB-CZ3 4.42Å; L531-W557 HydrophobicContact CD2-CE3 3.97Å; L531-W557 HydrophobicContact CD2-CZ3 3.71Å; L531-W557 HydrophobicContact CG-CE3 3.97Å; L531-W557 HydrophobicContact CG-CZ3 3.66Å; N553-W557 HydrophobicContact CB-CE3 4.28Å; N553-W557 HydrophobicContact CB-CH2 4.19Å; N553-W557 HydrophobicContact CB-CZ2 4.45Å; N553-W557 HydrophobicContact CB-CZ3 4.16Å; N553-W557 WeakPolarHBondContact O-CB 3.28Å; N553-W557 VanDerWaalsContact O-CD2 3.26Å; N553-W557 PolarHBondContact O-N 2.65Å; L554-W557 PolarHBondContact O-N 3.19Å; V555-W557 PolarHBondContact O-N 3Å
558	M	80.1	Confident	84.7	Confident	32 Å²	32	38.7 Å²	38.7	16%	0.158	20%	0.197	C	C	.	.			trans	-132	76.5	175	-68.1	-176.3	-65.7	0	0	109.1	F524 L527 L554 V555 E560 I561 L569 F590	F524-M558 HydrophobicContact CE2-SD 4.15Å; L527-M558 HydrophobicContact CD1-CE 3.97Å; L527-M558 HydrophobicContact CD1-CG 4.36Å; L527-M558 HydrophobicContact CD2-CE 3.65Å; L527-M558 HydrophobicContact CD2-CG 4.38Å; L527-M558 HydrophobicContact CD2-SD 3.82Å; L527-M558 HydrophobicContact CG-CE 4.45Å; L554-M558 HydrophobicContact CD1-CE 3.27Å; L554-M558 HydrophobicContact CG-CE 4.46Å; L554-M558 PolarHBondContact O-N 3.11Å; V555-M558 CarbonylContact O-C 3.48Å; M558-E560 PolarHBondContact O-N 2.74Å; M558-I561 HydrophobicContact CB-CB 3.99Å; M558-I561 HydrophobicContact CB-CG2 4.46Å; M558-I561 HydrophobicContact CE-CD1 3.87Å; M558-I561 VanDerWaalsContact O-CB 3.3Å; M558-I561 WeakPolarHBondContact O-CB 3.48Å; M558-I561 WeakPolarHBondContact O-CG2 3.5Å; M558-I561 PolarHBondContact O-N 2.8Å; M558-L569 HydrophobicContact CE-CD1 4.32Å; M558-F590 HydrophobicContact CE-CE1 3.85Å; M558-F590 HydrophobicContact CE-CZ 3.77Å; M558-F590 HydrophobicContact SD-CE1 3.75Å; M558-F590 HydrophobicContact SD-CZ 3.92Å
559	P	81.4	Confident	84.4	Confident	25 Å²	25	38.5 Å²	38.5	16%	0.162	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-30.4	-177.9	18	-29.7	0	0	0	113.4	K437 A515 V555 I561	K437-P559 WeakPolarHBondContact CE-O 3.01Å; K437-P559 PolarHBondContact NZ-O 3.07Å; A515-P559 HydrophobicContact CB-CB 3.62Å; V555-P559 VanDerWaalsContact O-CA 3.28Å; V555-P559 WeakPolarHBondContact O-CA 3.49Å; V555-P559 VanDerWaalsContact O-N 3.15Å; P559-I561 VanDerWaalsContact C-N 3.34Å
560	E	82.8	Confident	84.1	Confident	141 Å²	141	38 Å²	38	66%	0.659	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-1.1	180	-60.5	-49.6	129.7	0	0	114.4	M558 T562	M558-E560 PolarHBondContact O-N 2.74Å; E560-T562 PolarHBondContact O-N 3.26Å
561	I	83.3	Confident	83.9	Confident	6 Å²	6	41.5 Å²	41.5	3%	0.031	22%	0.216	C	C	.	.			trans	-53.5	135.9	178.7	-169	169	0	0	0	110.6	L554 M558 P559 E565 R566 L569 F590	L554-I561 HydrophobicContact CD1-CD1 3.89Å; L554-I561 HydrophobicContact CD2-CD1 4.02Å; L554-I561 HydrophobicContact CG-CD1 4.04Å; M558-I561 HydrophobicContact CB-CB 3.99Å; M558-I561 HydrophobicContact CB-CG2 4.46Å; M558-I561 HydrophobicContact CE-CD1 3.87Å; M558-I561 VanDerWaalsContact O-CB 3.3Å; M558-I561 WeakPolarHBondContact O-CB 3.48Å; M558-I561 WeakPolarHBondContact O-CG2 3.5Å; M558-I561 PolarHBondContact O-N 2.8Å; P559-I561 VanDerWaalsContact C-N 3.34Å; I561-E565 HydrophobicContact CD1-CB 4Å; I561-E565 HydrophobicContact CG1-CB 3.54Å; I561-R566 HydrophobicContact CB-CG 4.27Å; I561-R566 HydrophobicContact CD1-CG 3.77Å; I561-R566 HydrophobicContact CG1-CG 3.84Å; I561-R566 HydrophobicContact CG2-CG 3.45Å; I561-R566 VanDerWaalsContact CG2-CG 3.45Å; I561-R566 PolarHBondContact O-NH1 3.33Å; I561-L569 HydrophobicContact CD1-CD1 3.7Å; I561-F590 HydrophobicContact CD1-CE1 4.27Å
562	T	85.4	Confident	83.6	Confident	58 Å²	58	44 Å²	44	36%	0.356	23%	0.227	S	C	.	.			trans	-76.5	166.5	-179.7	86.5	0	0	0	0	111.8	E560 E564 E565 R566	E560-T562 PolarHBondContact O-N 3.26Å; T562-E564 VanDerWaalsContact C-N 3.28Å; T562-E564 VanDerWaalsContact CB-OE2 3.24Å; T562-E564 WeakPolarHBondContact CB-OE2 3.48Å; T562-E564 PolarHBondContact O-N 3.24Å; T562-E564 PolarHBondContact OG1-N 2.74Å; T562-E564 PolarHBondContact OG1-OE2 3.26Å; T562-E565 HydrophobicContact CG2-CG 4.44Å; T562-E565 PolarHBondContact N-OE2 3.03Å; T562-E565 WeakPolarHBondContact OG1-CG 3.39Å; T562-E565 PolarHBondContact OG1-N 2.92Å; T562-R566 WeakPolarHBondContact O-CG 3.5Å; T562-R566 PolarHBondContact O-N 3.41Å; T562-R566 PolarHBondContact O-NH1 2.99Å
563	A	82.1	Confident	83	Confident	55 Å²	55	44 Å²	44	46%	0.455	23%	0.228	S	C	.	.	H	α-helix	trans	-62.7	-38	175.6	0	0	0	0	0	112	R566 Q567	A563-R566 VanDerWaalsContact CA-NH2 3.33Å; A563-Q567 WeakPolarHBondContact O-CB 3.45Å; A563-Q567 PolarHBondContact O-N 2.91Å
564	E	83.9	Confident	82.6	Confident	124 Å²	124	45.7 Å²	45.7	58%	0.579	24%	0.236	S	C	*	.	H	α-helix	trans	-67.6	-44.2	179.1	-56.7	74.5	-160.7	0	0	111.4	T562 Q567 C568	T562-E564 VanDerWaalsContact C-N 3.28Å; T562-E564 VanDerWaalsContact CB-OE2 3.24Å; T562-E564 WeakPolarHBondContact CB-OE2 3.48Å; T562-E564 PolarHBondContact O-N 3.24Å; T562-E564 PolarHBondContact OG1-N 2.74Å; T562-E564 PolarHBondContact OG1-OE2 3.26Å; E564-Q567 PolarHBondContact O-N 2.89Å; E564-C568 WeakPolarHBondContact O-CB 3.41Å; E564-C568 PolarHBondContact O-N 3.36Å
565	E	84.9	Confident	82.3	Confident	34 Å²	34	49.8 Å²	49.8	16%	0.159	27%	0.27	C	S	.	.	H	α-helix	trans	-63.9	-43.5	177.5	-67.6	177.4	148.7	0	0	111.2	I561 T562 Q567 C568 L569	I561-E565 HydrophobicContact CD1-CB 4Å; I561-E565 HydrophobicContact CG1-CB 3.54Å; T562-E565 HydrophobicContact CG2-CG 4.44Å; T562-E565 PolarHBondContact N-OE2 3.03Å; T562-E565 WeakPolarHBondContact OG1-CG 3.39Å; T562-E565 PolarHBondContact OG1-N 2.92Å; E565-Q567 PolarHBondContact O-N 3.41Å; E565-C568 PolarHBondContact O-N 3.19Å; E565-L569 WeakPolarHBondContact O-CG 3.49Å; E565-L569 PolarHBondContact O-N 3.01Å
566	R	86.3	Confident	81.6	Confident	41 Å²	41	50.2 Å²	50.2	16%	0.155	27%	0.273	C	S	.	.	H	α-helix	trans	-57.8	-48.5	173.1	-73.3	-170.2	-59	-89.1	-0.2	111.3	M551 L554 I561 T562 A563 C568 L569 F570	M551-R566 HydrophobicContact SD-CB 4.37Å; M551-R566 HydrophobicContact SD-CG 4.3Å; L554-R566 HydrophobicContact CD2-CB 4.41Å; L554-R566 HydrophobicContact CD2-CG 4.05Å; I561-R566 HydrophobicContact CB-CG 4.27Å; I561-R566 HydrophobicContact CD1-CG 3.77Å; I561-R566 HydrophobicContact CG1-CG 3.84Å; I561-R566 HydrophobicContact CG2-CG 3.45Å; I561-R566 VanDerWaalsContact CG2-CG 3.45Å; I561-R566 PolarHBondContact O-NH1 3.33Å; T562-R566 WeakPolarHBondContact O-CG 3.5Å; T562-R566 PolarHBondContact O-N 3.41Å; T562-R566 PolarHBondContact O-NH1 2.99Å; A563-R566 VanDerWaalsContact CA-NH2 3.33Å; R566-C568 VanDerWaalsContact C-N 3.33Å; R566-C568 PolarHBondContact O-N 3.12Å; R566-L569 PolarHBondContact O-N 3.2Å; R566-F570 WeakPolarHBondContact O-CB 3.44Å; R566-F570 PolarHBondContact O-N 2.93Å
567	Q	82.2	Confident	80.9	Confident	107 Å²	107	50.3 Å²	50.3	50%	0.5	28%	0.282	S	S	.	.	H	α-helix	trans	-64.5	-39.2	-178	-173.2	61.9	22.8	0	0	111.8	A563 E564 E565 T571	A563-Q567 WeakPolarHBondContact O-CB 3.45Å; A563-Q567 PolarHBondContact O-N 2.91Å; E564-Q567 PolarHBondContact O-N 2.89Å; E565-Q567 PolarHBondContact O-N 3.41Å; Q567-T571 VanDerWaalsContact O-CB 3.31Å; Q567-T571 WeakPolarHBondContact O-CB 3.45Å; Q567-T571 PolarHBondContact O-N 3.07Å; Q567-T571 PolarHBondContact O-OG1 2.99Å
568	C	84.8	Confident	80.2	Confident	45 Å²	45	54.7 Å²	54.7	30%	0.304	30%	0.304	S	S	.	.	H	α-helix	trans	-61	-53.2	175.3	-179.7	0	0	0	0	111.4	E564 E565 R566 F570 T571 K572 C589	E564-C568 WeakPolarHBondContact O-CB 3.41Å; E564-C568 PolarHBondContact O-N 3.36Å; E565-C568 PolarHBondContact O-N 3.19Å; R566-C568 VanDerWaalsContact C-N 3.33Å; R566-C568 PolarHBondContact O-N 3.12Å; C568-F570 PolarHBondContact O-N 3.27Å; C568-T571 PolarHBondContact O-N 3.31Å; C568-K572 PolarHBondContact O-N 2.96Å; C568-C589 HydrophobicContact CB-CB 3.64Å; C568-C589 WeakPolarHBondContact CB-SG 3.41Å; C568-C589 WeakPolarHBondContact SG-CA 3.25Å; C568-C589 WeakPolarHBondContact SG-CB 3.44Å; C568-C589 CovalentContact SG-SG 2.05Å; C568-C589 PolarHBondContact SG-SG 2.91Å
569	L	81.6	Confident	79.4	Confident	1 Å²	1	60 Å²	60	1%	0.005	33%	0.326	C	S	.	.	H	α-helix	trans	-60.1	-49.3	179.2	-72.6	172.7	0	0	0	110.7	L554 M558 I561 E565 R566 T571 K572 F573 P586 C589 F590	L554-L569 HydrophobicContact CD1-CD1 3.72Å; L554-L569 HydrophobicContact CD2-CD1 4.22Å; M558-L569 HydrophobicContact CE-CD1 4.32Å; I561-L569 HydrophobicContact CD1-CD1 3.7Å; E565-L569 WeakPolarHBondContact O-CG 3.49Å; E565-L569 PolarHBondContact O-N 3.01Å; R566-L569 PolarHBondContact O-N 3.2Å; L569-T571 VanDerWaalsContact C-N 3.27Å; L569-T571 PolarHBondContact O-N 3.41Å; L569-K572 PolarHBondContact O-N 2.88Å; L569-K572 VanDerWaalsContact O-N 3.16Å; L569-F573 WeakPolarHBondContact O-CD2 3.14Å; L569-F573 PolarHBondContact O-N 3.12Å; L569-P586 HydrophobicContact CD2-CB 3.93Å; L569-P586 WeakPolarHBondContact CD2-O 3.03Å; L569-C589 HydrophobicContact CD2-CB 3.83Å; L569-C589 HydrophobicContact CG-CB 3.86Å; L569-C589 PolarHBondContact N-SG 3.38Å; L569-C589 VanDerWaalsContact N-SG 3.43Å; L569-F590 HydrophobicContact CD1-CE1 4.05Å; L569-F590 HydrophobicContact CD1-CZ 3.71Å; L569-F590 HydrophobicContact CD2-CE2 4.46Å; L569-F590 HydrophobicContact CD2-CZ 4.35Å; L569-F590 HydrophobicContact CG-CZ 4.49Å
570	F	80.3	Confident	78.6	Confident	27 Å²	27	60 Å²	60	12%	0.118	33%	0.326	C	S	.	.	H	α-helix	trans	-56.3	-43.4	-179.7	-169.6	-107.6	0	0	0	111.7	K547 F550 M551 R566 C568 F573 I574	K547-F570 HydrophobicContact CB-CE2 3.9Å; K547-F570 HydrophobicContact CB-CZ 3.8Å; K547-F570 HydrophobicContact CD-CZ 3.88Å; K547-F570 HydrophobicContact CG-CE2 3.96Å; K547-F570 HydrophobicContact CG-CZ 3.58Å; F550-F570 AromaticContact CD1-CD2 3.76Å; F550-F570 HydrophobicContact CD1-CD2 3.76Å; F550-F570 HydrophobicContact CD1-CE2 4.32Å; F550-F570 HydrophobicContact CE1-CB 4.45Å; F550-F570 AromaticContact CE1-CD2 3.97Å; F550-F570 HydrophobicContact CE1-CD2 3.97Å; M551-F570 HydrophobicContact CE-CB 4.17Å; M551-F570 HydrophobicContact CE-CD2 3.64Å; M551-F570 HydrophobicContact CE-CE2 4.2Å; M551-F570 HydrophobicContact CE-CG 4.03Å; R566-F570 WeakPolarHBondContact O-CB 3.44Å; R566-F570 PolarHBondContact O-N 2.93Å; C568-F570 PolarHBondContact O-N 3.27Å; F570-F573 PolarHBondContact O-N 3.19Å; F570-I574 HydrophobicContact CD1-CG1 4.17Å; F570-I574 HydrophobicContact CE1-CD1 4.12Å; F570-I574 HydrophobicContact CE1-CG1 4.05Å; F570-I574 HydrophobicContact CZ-CD1 4.1Å; F570-I574 HydrophobicContact CZ-CG1 4.31Å; F570-I574 WeakPolarHBondContact O-CB 3.35Å; F570-I574 WeakPolarHBondContact O-CG1 3.5Å; F570-I574 PolarHBondContact O-N 3.44Å
571	T	81.4	Confident	77.7	Confident	73 Å²	73	60.9 Å²	60.9	45%	0.448	34%	0.336	S	S	.	.	H	α-helix	trans	-66.9	-41.9	178.9	-58.7	0	0	0	0	112.2	Q567 C568 L569 I574 A575	Q567-T571 VanDerWaalsContact O-CB 3.31Å; Q567-T571 WeakPolarHBondContact O-CB 3.45Å; Q567-T571 PolarHBondContact O-N 3.07Å; Q567-T571 PolarHBondContact O-OG1 2.99Å; C568-T571 PolarHBondContact O-N 3.31Å; L569-T571 VanDerWaalsContact C-N 3.27Å; L569-T571 PolarHBondContact O-N 3.41Å; T571-I574 PolarHBondContact O-N 3.25Å; T571-A575 VanDerWaalsContact O-CB 3.32Å; T571-A575 WeakPolarHBondContact O-CB 2.98Å; T571-A575 PolarHBondContact O-N 3.27Å
572	K	80.6	Confident	76.6	Confident	55 Å²	55	66.2 Å²	66.2	24%	0.239	36%	0.36	C	S	.	.	H	α-helix	trans	-62.6	-43.4	176.7	-74.9	-166.9	175.6	-157.5	0	112.3	C568 L569 A575 A576 Q584 E585 T588	C568-K572 PolarHBondContact O-N 2.96Å; L569-K572 PolarHBondContact O-N 2.88Å; L569-K572 VanDerWaalsContact O-N 3.16Å; K572-A575 PolarHBondContact O-N 2.98Å; K572-A576 PolarHBondContact O-N 2.73Å; K572-A576 VanDerWaalsContact O-N 3.08Å; K572-Q584 PolarHBondContact NZ-O 2.99Å; K572-E585 PolarHBondContact NZ-O 3.05Å; K572-T588 PolarHBondContact NZ-OG1 2.88Å
573	F	78.5	Confident	75.7	Confident	2 Å²	2	64.2 Å²	64.2	1%	0.009	35%	0.348	C	S	.	.	H	α-helix	trans	-69.2	-41.2	178.4	-84.9	-93.6	0	0	0	112.1	L531 W535 F550 L569 F570 A575 A576 G577 V583 P586	L531-F573 HydrophobicContact CB-CE1 4.37Å; L531-F573 HydrophobicContact CB-CZ 4.13Å; W535-F573 HydrophobicContact CB-CD1 4Å; W535-F573 HydrophobicContact CD2-CB 4.16Å; W535-F573 HydrophobicContact CG-CB 4.39Å; W535-F573 AromaticContact CG-CD1 3.98Å; W535-F573 HydrophobicContact CG-CD1 3.98Å; W535-F573 PolarHBondContact NE1-O 2.85Å; F550-F573 HydrophobicContact CD2-CD1 4.47Å; F550-F573 HydrophobicContact CD2-CG 4.49Å; F550-F573 HydrophobicContact CE2-CB 4.01Å; F550-F573 AromaticContact CE2-CD1 3.69Å; F550-F573 HydrophobicContact CE2-CD1 3.69Å; F550-F573 AromaticContact CE2-CD2 3.67Å; F550-F573 HydrophobicContact CE2-CD2 3.67Å; F550-F573 HydrophobicContact CE2-CE1 4Å; F550-F573 AromaticContact CE2-CE2 3.98Å; F550-F573 HydrophobicContact CE2-CE2 3.98Å; F550-F573 AromaticContact CE2-CG 3.51Å; F550-F573 HydrophobicContact CE2-CG 3.51Å; F550-F573 HydrophobicContact CE2-CZ 4.13Å; F550-F573 HydrophobicContact CZ-CB 4.08Å; F550-F573 HydrophobicContact CZ-CD1 4.38Å; F550-F573 AromaticContact CZ-CD2 3.54Å; F550-F573 HydrophobicContact CZ-CD2 3.54Å; F550-F573 HydrophobicContact CZ-CE2 4Å; F550-F573 AromaticContact CZ-CG 3.74Å; F550-F573 HydrophobicContact CZ-CG 3.74Å; L569-F573 WeakPolarHBondContact O-CD2 3.14Å; L569-F573 PolarHBondContact O-N 3.12Å; F570-F573 PolarHBondContact O-N 3.19Å; F573-A575 VanDerWaalsContact C-N 3.34Å; F573-A575 PolarHBondContact O-N 3.4Å; F573-A576 PolarHBondContact O-N 3.45Å; F573-G577 PolarHBondContact O-N 3.47Å; F573-V583 HydrophobicContact CD1-CG2 4.1Å; F573-V583 HydrophobicContact CD2-CG1 4.24Å; F573-V583 HydrophobicContact CE1-CG1 4.31Å; F573-V583 HydrophobicContact CE1-CG2 4.13Å; F573-V583 HydrophobicContact CE2-CG1 4.01Å; F573-V583 HydrophobicContact CZ-CG1 4.05Å; F573-P586 HydrophobicContact CE2-CB 4.36Å
574	I	77.2	Confident	74.8	Confident	67 Å²	67	69.1 Å²	69.1	34%	0.344	36%	0.362	S	S	.	.	H	α-helix	trans	-57.2	-47.1	172	-68.6	-93.4	0	0	0	111	W535 K547 F570 T571 A576 G577	W535-I574 HydrophobicContact CH2-CD1 3.52Å; W535-I574 HydrophobicContact CH2-CG1 3.81Å; W535-I574 HydrophobicContact CZ2-CB 4.38Å; W535-I574 HydrophobicContact CZ2-CD1 3.72Å; W535-I574 HydrophobicContact CZ2-CG1 3.87Å; K547-I574 HydrophobicContact CD-CD1 4.29Å; K547-I574 HydrophobicContact CG-CD1 4.07Å; F570-I574 HydrophobicContact CD1-CG1 4.17Å; F570-I574 HydrophobicContact CE1-CD1 4.12Å; F570-I574 HydrophobicContact CE1-CG1 4.05Å; F570-I574 HydrophobicContact CZ-CD1 4.1Å; F570-I574 HydrophobicContact CZ-CG1 4.31Å; F570-I574 WeakPolarHBondContact O-CB 3.35Å; F570-I574 WeakPolarHBondContact O-CG1 3.5Å; F570-I574 PolarHBondContact O-N 3.44Å; T571-I574 PolarHBondContact O-N 3.25Å; I574-A576 PolarHBondContact O-N 2.04Å; I574-G577 PolarHBondContact O-N 3.41Å; I574-G577 VanDerWaalsContact O-N 3.17Å
575	A	78.1	Confident	74	Confident	86 Å²	86	69.6 Å²	69.6	71%	0.711	36%	0.364	S	S	*	.	H	α-helix	trans	-65.8	-35.4	-177.6	0	0	0	0	0	113.3	T571 K572 F573 G577	T571-A575 VanDerWaalsContact O-CB 3.32Å; T571-A575 WeakPolarHBondContact O-CB 2.98Å; T571-A575 PolarHBondContact O-N 3.27Å; K572-A575 PolarHBondContact O-N 2.98Å; F573-A575 VanDerWaalsContact C-N 3.34Å; F573-A575 PolarHBondContact O-N 3.4Å; A575-G577 PolarHBondContact O-N 3.03Å
576	A	73.5	Confident	73.2	Confident	9 Å²	9	68.1 Å²	68.1	7%	0.074	36%	0.357	C	S	.	.	H	α-helix	trans	-69	-20.1	176	0	0	0	0	0	113.1	K572 F573 I574 K579 V583	K572-A576 PolarHBondContact O-N 2.73Å; K572-A576 VanDerWaalsContact O-N 3.08Å; F573-A576 PolarHBondContact O-N 3.45Å; I574-A576 PolarHBondContact O-N 2.04Å; A576-K579 PolarHBondContact O-N 3.04Å; A576-V583 HydrophobicContact CB-CB 4.36Å; A576-V583 HydrophobicContact CB-CG2 3.51Å
577	G	70.6	Confident	72.5	Confident	29 Å²	29	71.2 Å²	71.2	30%	0.299	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.9	-145	-176.9	0	0	0	0	0	112.2	W535 F573 I574 A575 K579	W535-G577 PolarHBondContact NE1-O 3.41Å; F573-G577 PolarHBondContact O-N 3.47Å; I574-G577 PolarHBondContact O-N 3.41Å; I574-G577 VanDerWaalsContact O-N 3.17Å; A575-G577 PolarHBondContact O-N 3.03Å; G577-K579 PolarHBondContact O-N 3.08Å
578	E	65.1	Low	72.4	Confident	132 Å²	132	70 Å²	70	62%	0.617	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	0.2	176.8	-59.4	-174.6	152.9	0	0	113.3	K546 C580	K546-E578 IonicContact NZ-OE1 3.82Å; E578-C580 PolarHBondContact O-N 2.97Å; E578-C580 VanDerWaalsContact O-N 3.14Å; E578-C580 PolarHBondContact O-SG 3.42Å
579	K	64.1	Low	72.1	Confident	144 Å²	144	68.4 Å²	68.4	63%	0.626	36%	0.363	S	S	*	.			trans	-89.5	79.1	179.4	-64.7	-177.8	-176.6	176.7	0	109.4	A576 G577 D581 Q582	A576-K579 PolarHBondContact O-N 3.04Å; G577-K579 PolarHBondContact O-N 3.08Å; K579-D581 PolarHBondContact O-N 3.42Å; K579-Q582 HydrophobicContact CB-CG 4.22Å; K579-Q582 WeakPolarHBondContact O-CB 3.43Å; K579-Q582 PolarHBondContact O-N 2.92Å
580	C	64.1	Low	71.9	Confident	25 Å²	25	70.5 Å²	70.5	17%	0.169	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-54.4	-22.8	-173.2	-58.5	0	0	0	0	116.6	R532 C536 E578 Q582	R532-C580 HydrophobicContact CG-CB 4.37Å; C536-C580 WeakPolarHBondContact CA-SG 3.28Å; C536-C580 HydrophobicContact CB-CB 4.01Å; C536-C580 WeakPolarHBondContact CB-SG 3.37Å; C536-C580 VanDerWaalsContact SG-CA 3.55Å; C536-C580 WeakPolarHBondContact SG-CB 3.4Å; C536-C580 CovalentContact SG-SG 1.98Å; C536-C580 PolarHBondContact SG-SG 2.84Å; E578-C580 PolarHBondContact O-N 2.97Å; E578-C580 VanDerWaalsContact O-N 3.14Å; E578-C580 PolarHBondContact O-SG 3.42Å; C580-Q582 PolarHBondContact O-N 2.7Å
581	D	63.2	Low	71	Confident	159 Å²	159	77.8 Å²	77.8	85%	0.85	40%	0.398	S	S	*	.	G	3₁₀ helix	trans	-81.7	-2.4	179.2	-54.6	-34.7	0	0	0	112.6	K579	K579-D581 PolarHBondContact O-N 3.42Å
582	Q	59.8	Low	69.4	Low	118 Å²	118	80 Å²	80	55%	0.551	41%	0.414	S	S	*	.	G	3₁₀ helix	trans	-108.2	2.5	-176.2	-59.5	-167.5	-17.7	0	0	114.8	K579 C580 Q584	K579-Q582 HydrophobicContact CB-CG 4.22Å; K579-Q582 WeakPolarHBondContact O-CB 3.43Å; K579-Q582 PolarHBondContact O-N 2.92Å; C580-Q582 PolarHBondContact O-N 2.7Å; Q582-Q584 VanDerWaalsContact C-N 3.33Å; Q582-Q584 PolarHBondContact O-N 3.31Å
583	V	66.4	Low	67.5	Low	15 Å²	15	85.1 Å²	85.1	9%	0.091	44%	0.439	C	S	.	.			trans	-70.3	92.7	173.2	-175	0	0	0	0	108.4	F573 A576 E585 P586	F573-V583 HydrophobicContact CD1-CG2 4.1Å; F573-V583 HydrophobicContact CD2-CG1 4.24Å; F573-V583 HydrophobicContact CE1-CG1 4.31Å; F573-V583 HydrophobicContact CE1-CG2 4.13Å; F573-V583 HydrophobicContact CE2-CG1 4.01Å; F573-V583 HydrophobicContact CZ-CG1 4.05Å; A576-V583 HydrophobicContact CB-CB 4.36Å; A576-V583 HydrophobicContact CB-CG2 3.51Å; V583-E585 PolarHBondContact O-N 3.3Å; V583-P586 HydrophobicContact CG1-CB 4.33Å; V583-P586 HydrophobicContact CG1-CG 4.35Å
584	Q	63.7	Low	65.3	Low	159 Å²	159	90 Å²	90	74%	0.743	48%	0.48	S	S	*	.			trans	-77.2	116.8	-177.3	-74.3	-173.7	-11.3	0	0	111.8	K572 Q582	K572-Q584 PolarHBondContact NZ-O 2.99Å; Q582-Q584 VanDerWaalsContact C-N 3.33Å; Q582-Q584 PolarHBondContact O-N 3.31Å
585	E	67.8	Low	63.3	Low	133 Å²	133	91.8 Å²	91.8	62%	0.621	50%	0.498	S	S	*	.			trans	49.4	58.4	166.1	-50.1	178.7	163.1	0	0	113.4	K572 V583 E587 T588	K572-E585 PolarHBondContact NZ-O 3.05Å; V583-E585 PolarHBondContact O-N 3.3Å; E585-E587 VanDerWaalsContact C-OE2 3.27Å; E585-E587 WeakPolarHBondContact CA-OE2 3.5Å; E585-E587 PolarHBondContact O-N 3.21Å; E585-T588 HydrophobicContact CB-CG2 3.62Å; E585-T588 PolarHBondContact O-N 3.17Å; E585-T588 PolarHBondContact O-OG1 3.27Å; E585-T588 VanDerWaalsContact O-OG1 3.12Å
586	P	68.5	Low	61.3	Low	4 Å²	4	95.8 Å²	95.8	3%	0.026	51%	0.507	C	S	.	.	G	3₁₀ helix	trans	-56.1	-24.2	178	24.5	-33.2	0	0	0	112.6	L569 F573 V583 T588 C589	L569-P586 HydrophobicContact CD2-CB 3.93Å; L569-P586 WeakPolarHBondContact CD2-O 3.03Å; F573-P586 HydrophobicContact CE2-CB 4.36Å; V583-P586 HydrophobicContact CG1-CB 4.33Å; V583-P586 HydrophobicContact CG1-CG 4.35Å; P586-T588 PolarHBondContact O-N 3.1Å; P586-C589 WeakPolarHBondContact O-CB 3.4Å; P586-C589 PolarHBondContact O-N 2.98Å; P586-C589 VanDerWaalsContact O-N 3.16Å
587	E	71.8	Confident	59.5	Low	105 Å²	105	103.7 Å²	103.7	49%	0.491	55%	0.547	S	S	.	.	G	3₁₀ helix	trans	-61.5	-25.6	176.6	-54.7	80.3	-172.2	0	0	112.9	E585 C589 F590	E585-E587 VanDerWaalsContact C-OE2 3.27Å; E585-E587 WeakPolarHBondContact CA-OE2 3.5Å; E585-E587 PolarHBondContact O-N 3.21Å; E587-C589 PolarHBondContact O-N 3.23Å; E587-F590 WeakPolarHBondContact O-CD2 3.23Å; E587-F590 PolarHBondContact O-N 2.64Å
588	T	79.8	Confident	57.8	Low	83 Å²	83	105.2 Å²	105.2	51%	0.509	56%	0.562	S	S	.	*	G	3₁₀ helix	trans	-73	-10	179	75.7	0	0	0	0	113.2	K572 E585 P586	K572-T588 PolarHBondContact NZ-OG1 2.88Å; E585-T588 HydrophobicContact CB-CG2 3.62Å; E585-T588 PolarHBondContact O-N 3.17Å; E585-T588 PolarHBondContact O-OG1 3.27Å; E585-T588 VanDerWaalsContact O-OG1 3.12Å; P586-T588 PolarHBondContact O-N 3.1Å
589	C	78.7	Confident	56.3	Low	11 Å²	11	106.9 Å²	106.9	7%	0.074	58%	0.576	C	S	.	*	G	3₁₀ helix	trans	-74.1	-20.4	175.9	-75.1	0	0	0	0	112.5	C568 L569 P586 E587	C568-C589 HydrophobicContact CB-CB 3.64Å; C568-C589 WeakPolarHBondContact CB-SG 3.41Å; C568-C589 WeakPolarHBondContact SG-CA 3.25Å; C568-C589 WeakPolarHBondContact SG-CB 3.44Å; C568-C589 CovalentContact SG-SG 2.05Å; C568-C589 PolarHBondContact SG-SG 2.91Å; L569-C589 HydrophobicContact CD2-CB 3.83Å; L569-C589 HydrophobicContact CG-CB 3.86Å; L569-C589 PolarHBondContact N-SG 3.38Å; L569-C589 VanDerWaalsContact N-SG 3.43Å; P586-C589 WeakPolarHBondContact O-CB 3.4Å; P586-C589 PolarHBondContact O-N 2.98Å; P586-C589 VanDerWaalsContact O-N 3.16Å; E587-C589 PolarHBondContact O-N 3.23Å
590	F	76.4	Confident	54.9	Low	45 Å²	45	109.5 Å²	109.5	20%	0.197	59%	0.59	C	S	.	*	S	Bend	trans	-87.3	135.4	176.8	-52.5	-73.7	0	0	0	109.3	F524 M558 I561 L569 E587	F524-F590 HydrophobicContact CE2-CE2 4.34Å; F524-F590 HydrophobicContact CE2-CZ 4.36Å; F524-F590 HydrophobicContact CZ-CE2 4.1Å; M558-F590 HydrophobicContact CE-CE1 3.85Å; M558-F590 HydrophobicContact CE-CZ 3.77Å; M558-F590 HydrophobicContact SD-CE1 3.75Å; M558-F590 HydrophobicContact SD-CZ 3.92Å; I561-F590 HydrophobicContact CD1-CE1 4.27Å; L569-F590 HydrophobicContact CD1-CE1 4.05Å; L569-F590 HydrophobicContact CD1-CZ 3.71Å; L569-F590 HydrophobicContact CD2-CE2 4.46Å; L569-F590 HydrophobicContact CD2-CZ 4.35Å; L569-F590 HydrophobicContact CG-CZ 4.49Å; E587-F590 WeakPolarHBondContact O-CD2 3.23Å; E587-F590 PolarHBondContact O-N 2.64Å
591	R	61.2	Low	53.5	Low	179 Å²	179	113.2 Å²	113.2	68%	0.675	62%	0.617	S	S	*	*			trans	-68.2	133.8	172.6	-72.3	-175.5	-176.3	171.5	4.8	109.3	E593	R591-E593 VanDerWaalsContact C-N 3.3Å; R591-E593 PolarHBondContact O-N 3.07Å
592	P	47.3	Very low	52.2	Low	121 Å²	121	115.1 Å²	115.1	79%	0.786	62%	0.62	S	S	*	*			trans	-78.8	80.4	171.7	31.8	-31.4	0	0	0	109.4
593	E	42.2	Very low	50.9	Low	162 Å²	162	114.5 Å²	114.5	76%	0.757	64%	0.635	S	S	*	*			trans	-129.6	75.5	171.9	-76.3	-175.3	162.3	0	0	110.6	R591	R591-E593 VanDerWaalsContact C-N 3.3Å; R591-E593 PolarHBondContact O-N 3.07Å
594	A	32.4	Very low	49.5	Very low	104 Å²	104	118 Å²	118	86%	0.86	67%	0.665	S	S	*	*	S	Bend	trans	167.2	42.3	146.4	0	0	0	0	0	114.2
595	S	34.1	Very low	48.2	Very low	105 Å²	105	118 Å²	118	73%	0.734	67%	0.671	S	S	*	*	S	Bend	trans	-131.9	21.7	170.4	59.7	0	0	0	0	114.8
596	N	35.7	Very low	46.7	Very low	169 Å²	169	121.5 Å²	121.5	90%	0.904	68%	0.684	S	S	*	*	S	Bend	trans	-109	35.3	164.8	-89.5	-11.8	0	0	0	112.5
597	I	37.5	Very low	45.2	Very low	175 Å²	175	131.2 Å²	131.2	90%	0.897	73%	0.726	S	S	*	*	S	Bend	trans	-135.4	95.4	162.9	-55.1	179.2	0	0	0	107.1
598	G	33.7	Very low	43.4	Very low	61 Å²	61	141.5 Å²	141.5	63%	0.629	76%	0.76	S	S	*	*	S	Bend	trans	142.2	41.8	174.9	0	0	0	0	0	115.3
599	N	33.1	Very low	41.6	Very low	168 Å²	168	144.4 Å²	144.4	90%	0.898	77%	0.772	S	S	*	*	S	Bend	trans	-146.9	31.5	163.7	-105.7	-12.7	0	0	0	113.3
600	E	35.4	Very low	39.6	Very low	198 Å²	198	151.4 Å²	151.4	93%	0.925	81%	0.809	S	S	*	*	S	Bend	trans	-125	13.3	172.9	-87.7	-168.6	161	0	0	114.9
601	S	35.3	Very low	37.6	Very low	104 Å²	104	157.3 Å²	157.3	73%	0.727	84%	0.843	S	S	*	*	S	Bend	trans	-124.8	8.5	-179.9	47.7	0	0	0	0	117.1
602	E	34.5	Very low	36.2	Very low	199 Å²	199	156.1 Å²	156.1	93%	0.93	85%	0.853	S	S	*	*	S	Bend	trans	-114.3	17.7	172.1	-83.8	-168.4	157.6	0	0	115.3
603	A	33.8	Very low	35.5	Very low	104 Å²	104	158.3 Å²	158.3	86%	0.86	86%	0.857	S	S	*	*	S	Bend	trans	-103.5	5	168.1	0	0	0	0	0	114.1
604	A	35.8	Very low	35	Very low	88 Å²	88	158 Å²	158	73%	0.727	86%	0.864	S	S	*	*	S	Bend	trans	-125.4	49.6	-178.1	0	0	0	0	0	113
605	N	37.2	Very low	35.2	Very low	161 Å²	161	161.9 Å²	161.9	86%	0.861	86%	0.864	S	S	*	*			trans	-152	50.2	161	-115.1	-14.3	0	0	0	113.5
606	K	37	Very low	35.3	Very low	206 Å²	206	166.2 Å²	166.2	90%	0.896	87%	0.874	S	S	*	*			trans	-133	70.8	160.7	-105.5	-177.7	-179.5	172.9	0	109.7
607	K	37.3	Very low	35.3	Very low	207 Å²	207	166 Å²	166	90%	0.9	87%	0.872	S	S	*	*			trans	-174.5	75.9	153.2	-104.7	173.7	-173.8	-178.3	0	110.1
608	R	32.8	Very low	35.1	Very low	321 Å²	321	165.2 Å²	165.2	100%	1.211	87%	0.869	S	S	*	*			trans	-161.1	0	133.8	-116.2	178.7	-175.1	177	2.1	110.2

Retrieved 608 of 608 residues in 118.7 ms (Link to these results)

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