A0A087YEK7_POEFO Loading...

Mitochondrial intermediate peptidase

Cleaves proteins, imported into the mitochondrion, to their mature size.

AlphaFold DB , UniProt , Accession A0A087YEK7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 700 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	32.7	Very low	29.2	Very low	240 Å²	240	149.4 Å²	149.4	100%	1.182	80%	0.796	S	S	*	*				0	125.6	0	-78.7	175.2	64.6	0	0	108.9
2	S	32.4	Very low	29	Very low	108 Å²	108	151.3 Å²	151.3	76%	0.755	79%	0.792	S	S	*	*			trans	57.2	109.8	159.6	-167.6	0	0	0	0	118.5
3	A	28.1	Very low	28.9	Very low	86 Å²	86	156.2 Å²	156.2	71%	0.711	80%	0.796	S	S	*	*				59.1	129.7	78.3	0	0	0	0	0	112.2
4	S	29	Very low	28.8	Very low	104 Å²	104	160.7 Å²	160.7	73%	0.727	80%	0.798	S	S	*	*			cis	-173.1	130.1	43.8	-30.1	0	0	0	0	109.1
5	Q	32.9	Very low	28.7	Very low	161 Å²	161	156.2 Å²	156.2	75%	0.752	79%	0.788	S	S	*	*				65.2	118.1	104.2	-77.2	-171.4	-4.5	0	0	120.6
6	R	31.4	Very low	28.8	Very low	206 Å²	206	156.7 Å²	156.7	78%	0.777	79%	0.793	S	S	*	*			trans	73.5	121.2	137.2	-62.4	176.9	-171	-149.8	1.9	120.4
7	L	26.1	Very low	28.9	Very low	166 Å²	166	159.9 Å²	159.9	87%	0.869	79%	0.793	S	S	*	*				-162.9	141.2	102.1	-129.5	90.7	0	0	0	112.3
8	L	28.6	Very low	28.8	Very low	140 Å²	140	158.4 Å²	158.4	73%	0.733	79%	0.794	S	S	*	*			trans	-70	147	175.3	-76.2	95.8	0	0	0	111.7
9	H	25.2	Very low	29.2	Very low	181 Å²	181	158.4 Å²	158.4	84%	0.838	79%	0.791	S	S	*	*			trans	-147.2	118.3	138.9	-113.5	-69.7	0	0	0	111.7
10	L	28.4	Very low	29.4	Very low	135 Å²	135	157.1 Å²	157.1	71%	0.707	79%	0.792	S	S	*	*			trans	-57.1	125.1	170.5	-81.2	115.8	0	0	0	111.3
11	V	26.6	Very low	29.9	Very low	116 Å²	116	160.2 Å²	160.2	70%	0.703	79%	0.794	S	S	*	*			trans	-106.6	96.9	154.5	-179.4	0	0	0	0	107.9	Y13	V11-Y13 HydrophobicContact CG1-CD2 3.81Å; V11-Y13 HydrophobicContact CG1-CE2 3.91Å; V11-Y13 PolarHBondContact O-N 3.04Å; V11-Y13 VanDerWaalsContact O-N 3.09Å
12	K	27	Very low	30.8	Very low	173 Å²	173	152.4 Å²	152.4	75%	0.752	75%	0.751	S	S	*	*			trans	-62.7	100.3	162.1	-82.6	177	172.6	172.8	0	108.1	R14	K12-R14 VanDerWaalsContact C-N 3.27Å; K12-R14 PolarHBondContact O-N 3.09Å
13	Y	27.3	Very low	31.8	Very low	214 Å²	214	156.7 Å²	156.7	84%	0.839	76%	0.757	S	S	*	*			trans	-74.3	89	157.1	-97.5	-90.1	0	0	0	108.2	V11 S15	V11-Y13 HydrophobicContact CG1-CD2 3.81Å; V11-Y13 HydrophobicContact CG1-CE2 3.91Å; V11-Y13 PolarHBondContact O-N 3.04Å; V11-Y13 VanDerWaalsContact O-N 3.09Å; Y13-S15 VanDerWaalsContact C-N 3.34Å; Y13-S15 PolarHBondContact O-N 3.12Å; Y13-S15 VanDerWaalsContact O-N 3.12Å
14	R	27	Very low	33.2	Very low	220 Å²	220	153.8 Å²	153.8	83%	0.83	73%	0.73	S	S	*	*			trans	-67.3	97.4	156.8	-90	-178.1	165.4	176.9	-4.2	106.7	K12 L16	K12-R14 VanDerWaalsContact C-N 3.27Å; K12-R14 PolarHBondContact O-N 3.09Å; R14-L16 PolarHBondContact O-N 3.32Å; R14-L16 VanDerWaalsContact O-N 3.12Å
15	S	28.4	Very low	34.7	Very low	93 Å²	93	151 Å²	151	65%	0.65	71%	0.708	S	S	*	*			trans	-71.9	103.5	163.6	72.3	0	0	0	0	107.5	Y13 W17	Y13-S15 VanDerWaalsContact C-N 3.34Å; Y13-S15 PolarHBondContact O-N 3.12Å; Y13-S15 VanDerWaalsContact O-N 3.12Å; S15-W17 VanDerWaalsContact C-N 3.29Å; S15-W17 PolarHBondContact O-N 3.49Å
16	L	29.1	Very low	36	Very low	164 Å²	164	145.5 Å²	145.5	86%	0.859	69%	0.686	S	S	*	*			trans	-69	91.6	164.5	-92.7	128.1	0	0	0	107.4	R14	R14-L16 PolarHBondContact O-N 3.32Å; R14-L16 VanDerWaalsContact O-N 3.12Å
17	W	31.2	Very low	37.7	Very low	211 Å²	211	145 Å²	145	80%	0.799	68%	0.684	S	S	*	*			trans	-119.1	108.2	164.4	-75.4	72.3	0	0	0	107.4	S15 H19	S15-W17 VanDerWaalsContact C-N 3.29Å; S15-W17 PolarHBondContact O-N 3.49Å; W17-H19 VanDerWaalsContact C-N 3.26Å; W17-H19 PolarHBondContact O-N 2.9Å
18	T	27.6	Very low	40.5	Very low	133 Å²	133	137.9 Å²	137.9	82%	0.816	65%	0.649	S	S	*	*			trans	-55.5	91.9	168.5	42.8	0	0	0	0	108.6	V20	T18-V20 PolarHBondContact O-N 3.12Å; T18-V20 VanDerWaalsContact O-N 3.07Å
19	H	35.7	Very low	43.4	Very low	158 Å²	158	136.7 Å²	136.7	73%	0.731	65%	0.649	S	S	*	*			trans	-55.8	113.9	153.1	-79.6	31.1	0	0	0	105.1	W17 R21	W17-H19 VanDerWaalsContact C-N 3.26Å; W17-H19 PolarHBondContact O-N 2.9Å; H19-R21 HydrophobicContact CB-CG 4.33Å; H19-R21 PolarHBondContact O-N 3.12Å
20	V	33.4	Very low	46.6	Very low	133 Å²	133	128.3 Å²	128.3	81%	0.806	61%	0.611	S	S	*	*			trans	-65.3	82.8	156.2	-179.4	0	0	0	0	104.4	T18 R22	T18-V20 PolarHBondContact O-N 3.12Å; T18-V20 VanDerWaalsContact O-N 3.07Å; V20-R22 PolarHBondContact O-N 3.19Å
21	R	40.3	Very low	49.6	Very low	222 Å²	222	121.9 Å²	121.9	84%	0.838	58%	0.577	S	S	*	*			trans	-60.3	99	164.9	-86.2	-174.2	173.4	-175	-2.8	103.8	H19 K23	H19-R21 HydrophobicContact CB-CG 4.33Å; H19-R21 PolarHBondContact O-N 3.12Å; R21-K23 PolarHBondContact O-N 2.88Å
22	R	51.7	Low	52.6	Low	76 Å²	76	118.2 Å²	118.2	29%	0.287	56%	0.559	S	S	.	*			trans	-50.8	128.1	161.9	-61.7	178.4	173	-161.6	-13.4	104.8	V20 V24 T465 A468	V20-R22 PolarHBondContact O-N 3.19Å; R22-V24 HydrophobicContact CB-CG2 3.68Å; R22-V24 PolarHBondContact O-N 3.39Å; R22-T465 PolarHBondContact NH2-O 3.32Å; R22-A468 PolarHBondContact NH1-O 2.84Å; R22-A468 VanDerWaalsContact NH1-O 3.13Å
23	K	52.4	Low	55.6	Low	199 Å²	199	110.9 Å²	110.9	87%	0.865	53%	0.53	S	S	*	.			trans	-70.6	70.2	170.4	-72.2	-174.6	177.4	-177.7	0	107.3	R21	R21-K23 PolarHBondContact O-N 2.88Å
24	V	58.7	Low	58.7	Low	24 Å²	24	101 Å²	101	15%	0.145	49%	0.492	C	S	.	.			trans	-103	124.5	170.2	-176.7	0	0	0	0	105	R22 T26 N35 P469	R22-V24 HydrophobicContact CB-CG2 3.68Å; R22-V24 PolarHBondContact O-N 3.39Å; V24-T26 VanDerWaalsContact C-N 3.34Å; V24-T26 HydrophobicContact CG1-CG2 3.9Å; V24-T26 PolarHBondContact O-N 3.24Å; V24-N35 HydrophobicContact CG1-CB 4.27Å; V24-N35 WeakPolarHBondContact CG1-ND2 3.36Å; V24-P469 HydrophobicContact CG1-CG 4.32Å; V24-P469 HydrophobicContact CG2-CG 4.29Å
25	T	60.8	Low	61.6	Low	45 Å²	45	91.1 Å²	91.1	28%	0.276	46%	0.455	S	S	.	.			trans	-68.7	91.1	175.6	49.9	0	0	0	0	109.4
26	T	60.3	Low	64	Low	47 Å²	47	89 Å²	89	29%	0.288	44%	0.444	S	S	.	.			trans	-119.8	126	170.6	57.1	0	0	0	0	109.6	V24 N35	V24-T26 VanDerWaalsContact C-N 3.34Å; V24-T26 HydrophobicContact CG1-CG2 3.9Å; V24-T26 PolarHBondContact O-N 3.24Å; T26-N35 HydrophobicContact CG2-CB 3.88Å; T26-N35 WeakPolarHBondContact CG2-ND2 3.32Å
27	W	66.6	Low	66	Low	195 Å²	195	87.3 Å²	87.3	74%	0.739	43%	0.429	S	S	*	.			trans	-107	-23.7	-172	-59.3	76.4	0	0	0	111.9	E374	W27-E374 PolarHBondContact N-OE2 2.84Å
28	S	84.9	Confident	67.6	Low	17 Å²	17	79.3 Å²	79.3	12%	0.119	41%	0.405	C	S	.	.	S	Bend	trans	-102.2	152	177.2	68.1	0	0	0	0	113.9	V30 G31 A32 E374	S28-V30 VanDerWaalsContact C-N 3.3Å; S28-V30 PolarHBondContact O-N 3.17Å; S28-V30 WeakPolarHBondContact OG-CG1 3.42Å; S28-G31 PolarHBondContact O-N 3.44Å; S28-G31 PolarHBondContact OG-N 3.04Å; S28-A32 WeakPolarHBondContact O-CB 3.1Å; S28-A32 PolarHBondContact O-N 3.18Å; S28-E374 WeakPolarHBondContact CB-OE2 3.46Å; S28-E374 PolarHBondContact N-OE2 3.43Å; S28-E374 WeakPolarHBondContact OG-CB 3.34Å; S28-E374 VanDerWaalsContact OG-CD 3.27Å; S28-E374 VanDerWaalsContact OG-CG 3.27Å; S28-E374 WeakPolarHBondContact OG-CG 3.47Å; S28-E374 PolarHBondContact OG-OE2 2.76Å
29	P	88.2	Confident	68.9	Low	115 Å²	115	80.9 Å²	80.9	75%	0.747	40%	0.4	S	S	*	.	H	α-helix	trans	-57.1	-39.5	171.9	-26.5	35.3	0	0	0	113.6	A33	P29-A33 PolarHBondContact O-N 3.14Å
30	V	92.3	Very high	69.9	Low	4 Å²	4	78 Å²	78	2%	0.024	38%	0.383	C	S	.	.	H	α-helix	trans	-67.7	-45	177.8	65.5	0	0	0	0	111.4	S28 A32 A33 F34 M373 N377 L388 L406	S28-V30 VanDerWaalsContact C-N 3.3Å; S28-V30 PolarHBondContact O-N 3.17Å; S28-V30 WeakPolarHBondContact OG-CG1 3.42Å; V30-A32 VanDerWaalsContact C-N 3.33Å; V30-A32 PolarHBondContact O-N 3.19Å; V30-A33 WeakPolarHBondContact O-CB 3.33Å; V30-A33 PolarHBondContact O-N 3.34Å; V30-F34 HydrophobicContact CG2-CD2 4.24Å; V30-F34 HydrophobicContact CG2-CE2 4.23Å; V30-F34 WeakPolarHBondContact O-CD2 3.46Å; V30-F34 PolarHBondContact O-N 3.06Å; V30-M373 HydrophobicContact CG2-CB 4.48Å; V30-N377 HydrophobicContact CG1-CB 3.87Å; V30-L388 HydrophobicContact CG2-CB 4.28Å; V30-L406 HydrophobicContact CG2-CD2 4Å
31	G	91.6	Very high	70.8	Confident	0 Å²	0	81.3 Å²	81.3	0%	0	38%	0.381	C	S	.	.	H	α-helix	trans	-63.1	-40.4	176.8	0	0	0	0	0	112.4	S28 A33 F34 N35 G370	S28-G31 PolarHBondContact O-N 3.44Å; S28-G31 PolarHBondContact OG-N 3.04Å; G31-A33 VanDerWaalsContact C-N 3.34Å; G31-A33 PolarHBondContact O-N 2.89Å; G31-F34 PolarHBondContact O-N 3.33Å; G31-N35 PolarHBondContact O-N 2.97Å; G31-N35 VanDerWaalsContact O-N 3.11Å; G31-G370 WeakPolarHBondContact CA-O 3.29Å; G31-G370 VanDerWaalsContact O-CA 3.3Å; G31-G370 WeakPolarHBondContact O-CA 3.35Å
32	A	89.9	Confident	71.3	Confident	39 Å²	39	78.1 Å²	78.1	32%	0.322	38%	0.38	S	S	.	.	H	α-helix	trans	-61.6	-41.1	174.5	0	0	0	0	0	112.1	S28 V30 F34 N35 A36	S28-A32 WeakPolarHBondContact O-CB 3.1Å; S28-A32 PolarHBondContact O-N 3.18Å; V30-A32 VanDerWaalsContact C-N 3.33Å; V30-A32 PolarHBondContact O-N 3.19Å; A32-F34 VanDerWaalsContact C-N 3.34Å; A32-F34 PolarHBondContact O-N 3.22Å; A32-N35 PolarHBondContact O-N 3.18Å; A32-A36 WeakPolarHBondContact O-CB 3.49Å; A32-A36 PolarHBondContact O-N 3.13Å; A32-A36 VanDerWaalsContact O-N 3.09Å
33	A	90.4	Very high	71.5	Confident	19 Å²	19	78.7 Å²	78.7	16%	0.157	39%	0.388	C	S	.	.	H	α-helix	trans	-58.8	-45.8	177.5	0	0	0	0	0	111.3	P29 V30 G31 A36 S390 R404	P29-A33 PolarHBondContact O-N 3.14Å; V30-A33 WeakPolarHBondContact O-CB 3.33Å; V30-A33 PolarHBondContact O-N 3.34Å; G31-A33 VanDerWaalsContact C-N 3.34Å; G31-A33 PolarHBondContact O-N 2.89Å; A33-A36 PolarHBondContact O-N 2.86Å; A33-S390 WeakPolarHBondContact CB-OG 3.45Å; A33-R404 PolarHBondContact O-NH1 2.88Å; A33-R404 PolarHBondContact O-NH2 3.48Å; A33-R404 VanDerWaalsContact O-NH2 3.13Å
34	F	92.5	Very high	71.8	Confident	8 Å²	8	77.2 Å²	77.2	4%	0.035	39%	0.389	C	S	.	.	H	α-helix	trans	-79.3	-15.7	-176.6	-80.3	-99.1	0	0	0	114.9	V30 G31 A32 L369 M373 R404 L406 C421 F423	V30-F34 HydrophobicContact CG2-CD2 4.24Å; V30-F34 HydrophobicContact CG2-CE2 4.23Å; V30-F34 WeakPolarHBondContact O-CD2 3.46Å; V30-F34 PolarHBondContact O-N 3.06Å; G31-F34 PolarHBondContact O-N 3.33Å; A32-F34 VanDerWaalsContact C-N 3.34Å; A32-F34 PolarHBondContact O-N 3.22Å; F34-L369 HydrophobicContact CB-CG 4.25Å; F34-L369 HydrophobicContact CD1-CD2 4.13Å; F34-L369 HydrophobicContact CD1-CG 4.18Å; F34-M373 HydrophobicContact CB-CB 4.45Å; F34-M373 HydrophobicContact CB-CG 4.07Å; F34-M373 HydrophobicContact CD1-CG 3.8Å; F34-M373 HydrophobicContact CD1-SD 4.49Å; F34-M373 HydrophobicContact CD2-CB 4.32Å; F34-M373 HydrophobicContact CD2-CE 4.49Å; F34-M373 HydrophobicContact CD2-CG 4.04Å; F34-M373 HydrophobicContact CE1-CE 4.2Å; F34-M373 HydrophobicContact CE1-CG 4.23Å; F34-M373 HydrophobicContact CE1-SD 4.39Å; F34-M373 HydrophobicContact CE2-CE 4.03Å; F34-M373 HydrophobicContact CE2-CG 4.47Å; F34-M373 HydrophobicContact CG-CB 4.3Å; F34-M373 HydrophobicContact CG-CG 3.69Å; F34-M373 HydrophobicContact CZ-CE 3.86Å; F34-R404 HydrophobicContact CE1-CB 4.29Å; F34-R404 HydrophobicContact CE1-CG 4.41Å; F34-R404 HydrophobicContact CE2-CB 4.45Å; F34-R404 HydrophobicContact CZ-CB 3.9Å; F34-R404 HydrophobicContact CZ-CG 4.39Å; F34-L406 HydrophobicContact CE2-CD1 4.3Å; F34-L406 HydrophobicContact CE2-CD2 3.82Å; F34-L406 HydrophobicContact CE2-CG 4.27Å; F34-L406 HydrophobicContact CZ-CD1 4.12Å; F34-L406 HydrophobicContact CZ-CD2 4.31Å; F34-L406 HydrophobicContact CZ-CG 4.25Å; F34-C421 HydrophobicContact CE1-CB 3.87Å; F34-C421 HydrophobicContact CZ-CB 3.96Å; F34-F423 HydrophobicContact CD1-CD2 4.06Å; F34-F423 AromaticContact CD1-CE2 3.94Å; F34-F423 HydrophobicContact CD1-CE2 3.94Å; F34-F423 AromaticContact CE1-CD2 3.71Å; F34-F423 HydrophobicContact CE1-CD2 3.71Å; F34-F423 AromaticContact CE1-CE2 3.38Å; F34-F423 HydrophobicContact CE1-CE2 3.38Å; F34-F423 HydrophobicContact CE1-CZ 4.31Å; F34-F423 HydrophobicContact CZ-CE2 4.34Å
35	N	87.6	Confident	72.1	Confident	11 Å²	11	82.3 Å²	82.3	6%	0.059	42%	0.42	C	S	.	.	H	α-helix	trans	-93.5	-15.4	172.5	-83	-21.4	0	0	0	114.1	V24 T26 G31 A32 S368 G370 P469	V24-N35 HydrophobicContact CG1-CB 4.27Å; V24-N35 WeakPolarHBondContact CG1-ND2 3.36Å; T26-N35 HydrophobicContact CG2-CB 3.88Å; T26-N35 WeakPolarHBondContact CG2-ND2 3.32Å; G31-N35 PolarHBondContact O-N 2.97Å; G31-N35 VanDerWaalsContact O-N 3.11Å; A32-N35 PolarHBondContact O-N 3.18Å; N35-S368 PolarHBondContact ND2-OG 3.18Å; N35-S368 VanDerWaalsContact ND2-OG 3.13Å; N35-G370 WeakPolarHBondContact OD1-CA 3.44Å; N35-G370 PolarHBondContact OD1-N 3.42Å; N35-P469 HydrophobicContact CB-CB 4.48Å; N35-P469 WeakPolarHBondContact OD1-CB 3.45Å
36	A	79.8	Confident	72.8	Confident	49 Å²	49	85.5 Å²	85.5	41%	0.405	43%	0.432	S	S	.	.	S	Bend	trans	-78.7	153.9	172.5	0	0	0	0	0	111.3	A32 A33 R404	A32-A36 WeakPolarHBondContact O-CB 3.49Å; A32-A36 PolarHBondContact O-N 3.13Å; A32-A36 VanDerWaalsContact O-N 3.09Å; A33-A36 PolarHBondContact O-N 2.86Å; A36-R404 PolarHBondContact O-NH2 2.99Å
37	K	70.4	Confident	74	Confident	128 Å²	128	92 Å²	92	56%	0.557	46%	0.456	S	S	*	.	P	Polyproline II helix	trans	-66.5	140	162.6	-76.6	-167.8	172.1	-163.5	0	108.8	F39	K37-F39 PolarHBondContact O-N 3.43Å; K37-F39 VanDerWaalsContact O-N 3.14Å
38	P	64.2	Low	75.2	Confident	43 Å²	43	86.3 Å²	86.3	28%	0.279	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-55.6	123.2	169.4	-7.7	17.7	0	0	0	108	E401 D402	P38-E401 WeakPolarHBondContact CB-O 3.46Å; P38-D402 HydrophobicContact CG-CB 4.32Å; P38-D402 WeakPolarHBondContact CG-OD1 3.46Å
39	F	55.5	Low	75.7	Confident	166 Å²	166	88 Å²	88	73%	0.728	45%	0.45	S	S	*	.			trans	-118.4	110.7	174	-176.9	-94.8	0	0	0	107.2	K37 R41	K37-F39 PolarHBondContact O-N 3.43Å; K37-F39 VanDerWaalsContact O-N 3.14Å; F39-R41 HydrophobicContact CE1-CG 4.42Å
40	R	56.6	Low	76.1	Confident	98 Å²	98	82.5 Å²	82.5	37%	0.37	41%	0.414	S	S	.	.			trans	-87.8	120.3	171.9	-141.6	178.5	-170.8	173.4	6.4	107.8	L42 G394	R40-L42 PolarHBondContact O-N 3.48Å; R40-G394 PolarHBondContact NH2-O 3.39Å
41	R	53	Low	76.3	Confident	203 Å²	203	82.5 Å²	82.5	77%	0.766	41%	0.414	S	S	*	.			trans	-70.1	111.2	162.5	-134.2	179.4	-170	-175.4	0.7	105.4	F39 D43	F39-R41 HydrophobicContact CE1-CG 4.42Å; R41-D43 PolarHBondContact O-N 3.04Å
42	L	50.8	Low	76.6	Confident	155 Å²	155	83.6 Å²	83.6	81%	0.812	42%	0.419	S	S	*	.			trans	-69.5	83.8	170.2	-82.2	155.7	0	0	0	107.6	R40 L44	R40-L42 PolarHBondContact O-N 3.48Å; L42-L44 PolarHBondContact O-N 3.44Å
43	D	56	Low	76.8	Confident	87 Å²	87	83.5 Å²	83.5	47%	0.465	42%	0.421	S	S	.	.			trans	-83	98.3	167.6	-121.9	-38.2	0	0	0	107.5	R41 V45 E46	R41-D43 PolarHBondContact O-N 3.04Å; D43-V45 PolarHBondContact O-N 3.19Å; D43-E46 HydrophobicContact CB-CG 4.05Å; D43-E46 PolarHBondContact O-N 3.39Å; D43-E46 VanDerWaalsContact O-N 3.12Å
44	L	57.5	Low	77	Confident	169 Å²	169	84.7 Å²	84.7	89%	0.885	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-0.7	-178.7	-70.9	163.8	0	0	0	113.6	L42	L42-L44 PolarHBondContact O-N 3.44Å
45	V	65.3	Low	77.1	Confident	131 Å²	131	88.4 Å²	88.4	79%	0.794	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.8	-10	-177.5	-169.3	0	0	0	0	111.9	D43 K47	D43-V45 PolarHBondContact O-N 3.19Å; V45-K47 PolarHBondContact O-N 3.49Å
46	E	75.2	Confident	77.4	Confident	111 Å²	111	92.3 Å²	92.3	52%	0.519	47%	0.47	S	S	.	.	P	Polyproline II helix	trans	-73.2	129.5	179.3	-83.6	-174.9	-178.8	0	0	112.1	D43 A395	D43-E46 HydrophobicContact CB-CG 4.05Å; D43-E46 PolarHBondContact O-N 3.39Å; D43-E46 VanDerWaalsContact O-N 3.12Å; E46-A395 HydrophobicContact CB-CB 3.89Å
47	K	86	Confident	78.2	Confident	184 Å²	184	90.2 Å²	90.2	80%	0.8	45%	0.452	S	S	*	.	P	Polyproline II helix	trans	-69.5	130	176.1	-175.2	179.8	176.7	-175.3	0	109.5	V45 V49	V45-K47 PolarHBondContact O-N 3.49Å; K47-V49 PolarHBondContact O-N 3.45Å
48	N	91.4	Very high	79.4	Confident	76 Å²	76	86.5 Å²	86.5	41%	0.406	44%	0.442	S	S	.	.	P	Polyproline II helix	trans	-59.5	120.8	172.2	-174	-19.6	0	0	0	109.9	G50 A395 G396	N48-G50 WeakPolarHBondContact OD1-CA 3.32Å; N48-G50 PolarHBondContact OD1-N 3.4Å; N48-A395 CarbonylContact C-O 3.55Å; N48-A395 WeakPolarHBondContact CA-O 3.36Å; N48-A395 PolarHBondContact OD1-O 3.4Å; N48-G396 WeakPolarHBondContact OD1-CA 3.35Å
49	V	95.3	Very high	80.9	Confident	52 Å²	52	86.8 Å²	86.8	32%	0.315	44%	0.444	S	S	.	.			trans	-93.4	-5.3	-179.3	-60.8	0	0	0	0	113.2	K47 G53 V54 P55 A395 E397	K47-V49 PolarHBondContact O-N 3.45Å; V49-G53 CarbonylContact O-C 3.2Å; V49-G53 WeakPolarHBondContact O-CA 3.4Å; V49-V54 CarbonylContact O-C 3.3Å; V49-V54 VanDerWaalsContact O-C 3.3Å; V49-V54 PolarHBondContact O-N 3.09Å; V49-P55 WeakPolarHBondContact O-CA 3.43Å; V49-A395 WeakPolarHBondContact CG2-O 3.4Å; V49-A395 PolarHBondContact N-O 3.29Å; V49-E397 HydrophobicContact CG2-CB 3.73Å; V49-E397 HydrophobicContact CG2-CG 4.32Å
50	G	96.3	Very high	82.9	Confident	0 Å²	0	79.9 Å²	79.9	0%	0	42%	0.416	C	S	.	.			trans	71.1	165.8	-176.1	0	0	0	0	0	113.7	N48 F52 G53 V54 L57 G396 E397	N48-G50 WeakPolarHBondContact OD1-CA 3.32Å; N48-G50 PolarHBondContact OD1-N 3.4Å; G50-F52 PolarHBondContact O-N 2.92Å; G50-G53 WeakPolarHBondContact O-CA 3.24Å; G50-G53 PolarHBondContact O-N 3.27Å; G50-V54 CarbonylContact C-O 3.6Å; G50-V54 WeakPolarHBondContact CA-O 3.38Å; G50-L57 WeakPolarHBondContact CA-O 3.36Å; G50-G396 CarbonylContact C-O 3.23Å; G50-G396 VanDerWaalsContact C-O 3.23Å; G50-E397 VanDerWaalsContact O-CA 3.29Å; G50-E397 WeakPolarHBondContact O-CA 3.49Å
51	L	97.4	Very high	84.8	Confident	4 Å²	4	81.4 Å²	81.4	2%	0.021	43%	0.427	C	S	.	.	G	3₁₀ helix	trans	-54.3	131.4	-175.5	-68.9	170	0	0	0	111.4	G53 V54 L57 F63 I111 Y120 G396 W399	L51-G53 PolarHBondContact O-N 3.48Å; L51-G53 VanDerWaalsContact O-N 3.09Å; L51-V54 WeakPolarHBondContact O-CB 3.32Å; L51-V54 PolarHBondContact O-N 2.97Å; L51-L57 HydrophobicContact CB-CB 4Å; L51-L57 HydrophobicContact CB-CD1 4.47Å; L51-L57 HydrophobicContact CD1-CB 4.49Å; L51-L57 HydrophobicContact CG-CB 4.49Å; L51-L57 PolarHBondContact N-O 3.44Å; L51-F63 HydrophobicContact CD1-CE2 4.41Å; L51-F63 HydrophobicContact CD1-CZ 4.46Å; L51-I111 HydrophobicContact CD1-CD1 3.84Å; L51-I111 HydrophobicContact CD1-CG1 4.22Å; L51-Y120 HydrophobicContact CD1-CD1 3.71Å; L51-Y120 HydrophobicContact CD1-CE1 3.65Å; L51-Y120 HydrophobicContact CG-CE1 4.38Å; L51-G396 PolarHBondContact N-O 3.45Å; L51-W399 HydrophobicContact CD2-CB 4.09Å
52	F	96.9	Very high	86.9	Confident	22 Å²	22	72 Å²	72	10%	0.096	39%	0.393	C	S	.	.	G	3₁₀ helix	trans	57.1	17.4	-175.8	-54.1	-81.9	0	0	0	115	G50 V54 L107 F110 I111 E397 W399 Y420 I438 V454 V456	G50-F52 PolarHBondContact O-N 2.92Å; F52-V54 VanDerWaalsContact C-N 3.34Å; F52-L107 HydrophobicContact CD2-CD1 3.73Å; F52-L107 HydrophobicContact CD2-CD2 4.43Å; F52-L107 HydrophobicContact CD2-CG 3.86Å; F52-L107 HydrophobicContact CE2-CD1 4.38Å; F52-L107 HydrophobicContact CE2-CD2 4.47Å; F52-L107 HydrophobicContact CE2-CG 4Å; F52-L107 HydrophobicContact CG-CD1 4.46Å; F52-F110 HydrophobicContact CE2-CD1 4.16Å; F52-F110 AromaticContact CZ-CD1 3.66Å; F52-F110 HydrophobicContact CZ-CD1 3.66Å; F52-F110 AromaticContact CZ-CE1 3.82Å; F52-F110 HydrophobicContact CZ-CE1 3.82Å; F52-I111 HydrophobicContact CE2-CD1 3.96Å; F52-I111 HydrophobicContact CE2-CG1 4.28Å; F52-E397 PolarHBondContact N-O 3.05Å; F52-W399 HydrophobicContact CD1-CZ3 4.22Å; F52-W399 HydrophobicContact CE1-CE3 4.37Å; F52-W399 AromaticContact CE1-CH2 3.81Å; F52-W399 HydrophobicContact CE1-CH2 3.81Å; F52-W399 AromaticContact CE1-CZ3 3.33Å; F52-W399 HydrophobicContact CE1-CZ3 3.33Å; F52-W399 HydrophobicContact CE2-CE3 4.4Å; F52-W399 HydrophobicContact CE2-CZ3 4.07Å; F52-W399 AromaticContact CZ-CE3 3.95Å; F52-W399 HydrophobicContact CZ-CE3 3.95Å; F52-W399 AromaticContact CZ-CH2 3.82Å; F52-W399 HydrophobicContact CZ-CH2 3.82Å; F52-W399 AromaticContact CZ-CZ3 3.24Å; F52-W399 HydrophobicContact CZ-CZ3 3.24Å; F52-Y420 HydrophobicContact CD1-CD1 4.42Å; F52-Y420 AromaticContact CD1-CD2 3.89Å; F52-Y420 HydrophobicContact CD1-CD2 3.89Å; F52-Y420 HydrophobicContact CD1-CE1 4.19Å; F52-Y420 AromaticContact CD1-CE2 3.66Å; F52-Y420 HydrophobicContact CD1-CE2 3.66Å; F52-Y420 HydrophobicContact CD1-CG 4.26Å; F52-Y420 AromaticContact CD1-CZ 3.78Å; F52-Y420 HydrophobicContact CE1-CD1 4.47Å; F52-Y420 HydrophobicContact CE1-CD2 4.02Å; F52-Y420 HydrophobicContact CE1-CE2 4.27Å; F52-Y420 HydrophobicContact CE1-CG 4.12Å; F52-I438 HydrophobicContact CB-CG2 4.41Å; F52-I438 HydrophobicContact CD1-CG1 4.29Å; F52-I438 HydrophobicContact CD1-CG2 3.99Å; F52-I438 HydrophobicContact CD2-CG2 3.95Å; F52-I438 HydrophobicContact CE1-CD1 4.1Å; F52-I438 HydrophobicContact CE1-CG1 3.74Å; F52-I438 HydrophobicContact CE1-CG2 4.17Å; F52-I438 HydrophobicContact CE2-CD1 4.18Å; F52-I438 HydrophobicContact CE2-CG2 4.13Å; F52-I438 HydrophobicContact CG-CG2 3.86Å; F52-I438 HydrophobicContact CZ-CD1 3.67Å; F52-I438 HydrophobicContact CZ-CG1 3.85Å; F52-I438 HydrophobicContact CZ-CG2 4.24Å; F52-V454 HydrophobicContact CD1-CG1 4.27Å; F52-V456 HydrophobicContact CE1-CG2 3.62Å; F52-V456 HydrophobicContact CZ-CG2 3.82Å
53	G	94.8	Very high	89.1	Confident	37 Å²	37	64.7 Å²	64.7	38%	0.381	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	78.8	17.4	-174.5	0	0	0	0	0	113.5	V49 G50 L51 P55	V49-G53 CarbonylContact O-C 3.2Å; V49-G53 WeakPolarHBondContact O-CA 3.4Å; G50-G53 WeakPolarHBondContact O-CA 3.24Å; G50-G53 PolarHBondContact O-N 3.27Å; L51-G53 PolarHBondContact O-N 3.48Å; L51-G53 VanDerWaalsContact O-N 3.09Å; G53-P55 WeakPolarHBondContact O-CD 3.5Å
54	V	95.2	Very high	91.1	Very high	44 Å²	44	65.6 Å²	65.6	27%	0.267	36%	0.356	S	S	.	.			trans	-88.8	106	173.7	-177.3	0	0	0	0	108.6	V49 G50 L51 F52 E56 L57 L107	V49-V54 CarbonylContact O-C 3.3Å; V49-V54 VanDerWaalsContact O-C 3.3Å; V49-V54 PolarHBondContact O-N 3.09Å; G50-V54 CarbonylContact C-O 3.6Å; G50-V54 WeakPolarHBondContact CA-O 3.38Å; L51-V54 WeakPolarHBondContact O-CB 3.32Å; L51-V54 PolarHBondContact O-N 2.97Å; F52-V54 VanDerWaalsContact C-N 3.34Å; V54-E56 VanDerWaalsContact C-N 3.27Å; V54-E56 VanDerWaalsContact CG1-OE2 3.29Å; V54-E56 WeakPolarHBondContact CG1-OE2 3.29Å; V54-E56 PolarHBondContact O-N 3.45Å; V54-L57 HydrophobicContact CB-CB 4.4Å; V54-L57 HydrophobicContact CB-CD1 4.06Å; V54-L57 HydrophobicContact CB-CG 4.12Å; V54-L57 HydrophobicContact CG1-CD1 4.04Å; V54-L57 HydrophobicContact CG1-CG 3.84Å; V54-L57 PolarHBondContact O-N 3.31Å; V54-L107 HydrophobicContact CG2-CD1 4.13Å
55	P	93.9	Very high	92.9	Very high	86 Å²	86	59.5 Å²	59.5	56%	0.558	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-60.3	-33.4	-168.7	-26.1	36.4	0	0	0	114.7	V49 G53 L57 S58	V49-P55 WeakPolarHBondContact O-CA 3.43Å; G53-P55 WeakPolarHBondContact O-CD 3.5Å; P55-L57 PolarHBondContact O-N 3.34Å; P55-S58 PolarHBondContact O-N 2.79Å; P55-S58 PolarHBondContact O-OG 3.16Å; P55-S58 VanDerWaalsContact O-OG 3.06Å
56	E	94.3	Very high	94.3	Very high	94 Å²	94	54 Å²	54	44%	0.439	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-58.9	-36.4	177.1	-63.3	78.8	-175.7	0	0	110.7	V54 S58 G62	V54-E56 VanDerWaalsContact C-N 3.27Å; V54-E56 VanDerWaalsContact CG1-OE2 3.29Å; V54-E56 WeakPolarHBondContact CG1-OE2 3.29Å; V54-E56 PolarHBondContact O-N 3.45Å; E56-S58 PolarHBondContact O-N 3.03Å; E56-G62 WeakPolarHBondContact O-CA 3.43Å
57	L	95.9	Very high	95.4	Very high	5 Å²	5	49 Å²	49	3%	0.026	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-86.2	36	-175.6	-53.7	-175.9	0	0	0	112.9	G50 L51 V54 P55 C59 F63 A66 L107	G50-L57 WeakPolarHBondContact CA-O 3.36Å; L51-L57 HydrophobicContact CB-CB 4Å; L51-L57 HydrophobicContact CB-CD1 4.47Å; L51-L57 HydrophobicContact CD1-CB 4.49Å; L51-L57 HydrophobicContact CG-CB 4.49Å; L51-L57 PolarHBondContact N-O 3.44Å; V54-L57 HydrophobicContact CB-CB 4.4Å; V54-L57 HydrophobicContact CB-CD1 4.06Å; V54-L57 HydrophobicContact CB-CG 4.12Å; V54-L57 HydrophobicContact CG1-CD1 4.04Å; V54-L57 HydrophobicContact CG1-CG 3.84Å; V54-L57 PolarHBondContact O-N 3.31Å; P55-L57 PolarHBondContact O-N 3.34Å; L57-C59 VanDerWaalsContact C-N 3.31Å; L57-F63 HydrophobicContact CD1-CE1 4.26Å; L57-F63 HydrophobicContact CD1-CZ 4.1Å; L57-F63 HydrophobicContact CD2-CB 4.46Å; L57-F63 HydrophobicContact CD2-CD1 4.04Å; L57-F63 HydrophobicContact CD2-CD2 3.85Å; L57-F63 HydrophobicContact CD2-CE1 4.14Å; L57-F63 HydrophobicContact CD2-CE2 3.94Å; L57-F63 HydrophobicContact CD2-CG 3.88Å; L57-F63 HydrophobicContact CD2-CZ 4.08Å; L57-A66 HydrophobicContact CD2-CB 4.47Å; L57-L107 HydrophobicContact CD1-CD1 3.74Å; L57-L107 HydrophobicContact CD1-CD2 3.38Å; L57-L107 HydrophobicContact CD1-CG 4.25Å
58	S	95.1	Very high	95.8	Very high	50 Å²	50	45.8 Å²	45.8	35%	0.35	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-80.5	-13.8	169.6	50.2	0	0	0	0	112.8	P55 E56 Y120	P55-S58 PolarHBondContact O-N 2.79Å; P55-S58 PolarHBondContact O-OG 3.16Å; P55-S58 VanDerWaalsContact O-OG 3.06Å; E56-S58 PolarHBondContact O-N 3.03Å; S58-Y120 PolarHBondContact O-OH 2.76Å
59	C	96.1	Very high	96	Very high	48 Å²	48	45.7 Å²	45.7	32%	0.324	27%	0.266	S	S	.	.	S	Bend	trans	-147	165.8	172.9	70.3	0	0	0	0	111	L57 E61 G62 Y120	L57-C59 VanDerWaalsContact C-N 3.31Å; C59-E61 VanDerWaalsContact C-N 3.32Å; C59-E61 PolarHBondContact O-N 3.26Å; C59-E61 PolarHBondContact SG-OE2 3.02Å; C59-G62 PolarHBondContact O-N 3.24Å; C59-G62 VanDerWaalsContact O-N 3.13Å; C59-Y120 WeakPolarHBondContact CA-OH 3.46Å
60	P	97.6	Very high	96	Very high	22 Å²	22	43.5 Å²	43.5	14%	0.143	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-38	179.4	-25.8	34.9	0	0	0	114.4	G62 F63 A119 Y120 A123	P60-G62 PolarHBondContact O-N 2.91Å; P60-G62 VanDerWaalsContact O-N 3.14Å; P60-F63 WeakPolarHBondContact O-CB 3.45Å; P60-F63 WeakPolarHBondContact O-CD2 3.34Å; P60-F63 PolarHBondContact O-N 3.14Å; P60-A119 HydrophobicContact CB-CB 4.39Å; P60-A119 HydrophobicContact CG-CB 3.92Å; P60-Y120 HydrophobicContact CG-CD2 3.69Å; P60-Y120 HydrophobicContact CG-CE2 3.73Å; P60-Y120 HydrophobicContact CG-CG 4.12Å; P60-A123 HydrophobicContact CB-CB 4.11Å; P60-A123 WeakPolarHBondContact O-CB 3.42Å
61	E	96.8	Very high	95.8	Very high	129 Å²	129	45.8 Å²	45.8	60%	0.603	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-21.4	-179.8	-61.1	73.6	-160.3	0	0	112.4	C59 F63 Q64 A65	C59-E61 VanDerWaalsContact C-N 3.32Å; C59-E61 PolarHBondContact O-N 3.26Å; C59-E61 PolarHBondContact SG-OE2 3.02Å; E61-F63 PolarHBondContact O-N 3.26Å; E61-Q64 WeakPolarHBondContact O-CB 3.33Å; E61-Q64 PolarHBondContact O-N 2.69Å; E61-Q64 VanDerWaalsContact O-N 3.09Å; E61-A65 PolarHBondContact O-N 2.79Å
62	G	96.9	Very high	95.7	Very high	5 Å²	5	52.8 Å²	52.8	5%	0.052	30%	0.295	C	S	.	.	H	α-helix	trans	-54.8	-32.5	174.1	0	0	0	0	0	114.2	E56 C59 P60 Q64 A65 A66	E56-G62 WeakPolarHBondContact O-CA 3.43Å; C59-G62 PolarHBondContact O-N 3.24Å; C59-G62 VanDerWaalsContact O-N 3.13Å; P60-G62 PolarHBondContact O-N 2.91Å; P60-G62 VanDerWaalsContact O-N 3.14Å; G62-Q64 VanDerWaalsContact C-N 3.31Å; G62-Q64 PolarHBondContact O-N 3.46Å; G62-A65 PolarHBondContact O-N 3.33Å; G62-A66 WeakPolarHBondContact O-CB 3.36Å; G62-A66 PolarHBondContact O-N 2.91Å
63	F	97.9	Very high	95.4	Very high	3 Å²	3	55.9 Å²	55.9	1%	0.013	31%	0.313	C	S	.	.	H	α-helix	trans	-61.4	-39.2	176.8	-84.9	-80.9	0	0	0	112.4	L51 L57 P60 E61 A66 T67 L107 A108 I111 Y120 A123 A124 T127	L51-F63 HydrophobicContact CD1-CE2 4.41Å; L51-F63 HydrophobicContact CD1-CZ 4.46Å; L57-F63 HydrophobicContact CD1-CE1 4.26Å; L57-F63 HydrophobicContact CD1-CZ 4.1Å; L57-F63 HydrophobicContact CD2-CB 4.46Å; L57-F63 HydrophobicContact CD2-CD1 4.04Å; L57-F63 HydrophobicContact CD2-CD2 3.85Å; L57-F63 HydrophobicContact CD2-CE1 4.14Å; L57-F63 HydrophobicContact CD2-CE2 3.94Å; L57-F63 HydrophobicContact CD2-CG 3.88Å; L57-F63 HydrophobicContact CD2-CZ 4.08Å; P60-F63 WeakPolarHBondContact O-CB 3.45Å; P60-F63 WeakPolarHBondContact O-CD2 3.34Å; P60-F63 PolarHBondContact O-N 3.14Å; E61-F63 PolarHBondContact O-N 3.26Å; F63-A66 PolarHBondContact O-N 3.09Å; F63-T67 WeakPolarHBondContact O-CB 3.38Å; F63-T67 PolarHBondContact O-N 2.64Å; F63-T67 PolarHBondContact O-OG1 2.94Å; F63-L107 HydrophobicContact CE1-CD2 3.71Å; F63-L107 HydrophobicContact CZ-CD2 3.86Å; F63-A108 HydrophobicContact CD1-CB 4.27Å; F63-A108 HydrophobicContact CE1-CB 3.97Å; F63-I111 HydrophobicContact CE2-CG2 4.16Å; F63-I111 HydrophobicContact CZ-CB 4.06Å; F63-I111 HydrophobicContact CZ-CG1 4.13Å; F63-I111 HydrophobicContact CZ-CG2 3.74Å; F63-Y120 AromaticContact CE2-CD1 3.99Å; F63-Y120 HydrophobicContact CE2-CD1 3.99Å; F63-A123 HydrophobicContact CB-CB 4.18Å; F63-A123 HydrophobicContact CD2-CB 4.14Å; F63-A123 HydrophobicContact CG-CB 4.37Å; F63-A124 HydrophobicContact CD1-CB 4.33Å; F63-A124 HydrophobicContact CE1-CB 3.98Å; F63-A124 HydrophobicContact CZ-CB 4.13Å; F63-T127 WeakPolarHBondContact CB-OG1 3.29Å; F63-T127 HydrophobicContact CD1-CG2 4.35Å
64	Q	96.7	Very high	95.4	Very high	105 Å²	105	54.4 Å²	54.4	49%	0.491	30%	0.297	S	S	.	.	H	α-helix	trans	-66.6	-40.8	175.8	-174.3	177	3.1	0	0	111.1	E61 G62 T67 Q68	E61-Q64 WeakPolarHBondContact O-CB 3.33Å; E61-Q64 PolarHBondContact O-N 2.69Å; E61-Q64 VanDerWaalsContact O-N 3.09Å; G62-Q64 VanDerWaalsContact C-N 3.31Å; G62-Q64 PolarHBondContact O-N 3.46Å; Q64-T67 PolarHBondContact O-N 3.37Å; Q64-Q68 VanDerWaalsContact O-CG 3.32Å; Q64-Q68 WeakPolarHBondContact O-CG 3.49Å; Q64-Q68 PolarHBondContact O-N 2.84Å
65	A	95.8	Very high	95.1	Very high	41 Å²	41	58.9 Å²	58.9	34%	0.339	32%	0.315	S	S	.	.	H	α-helix	trans	-65.5	-42.9	177.4	0	0	0	0	0	112.1	E61 G62 Q68 T69	E61-A65 PolarHBondContact O-N 2.79Å; G62-A65 PolarHBondContact O-N 3.33Å; A65-Q68 PolarHBondContact O-N 3.35Å; A65-T69 WeakPolarHBondContact O-CB 3.43Å; A65-T69 PolarHBondContact O-N 2.96Å; A65-T69 PolarHBondContact O-OG1 3.22Å
66	A	95.8	Very high	94.9	Very high	16 Å²	16	61 Å²	61	13%	0.132	32%	0.32	C	S	.	.	H	α-helix	trans	-61.2	-44.7	174.6	0	0	0	0	0	111.3	L57 G62 F63 T69 A70	L57-A66 HydrophobicContact CD2-CB 4.47Å; G62-A66 WeakPolarHBondContact O-CB 3.36Å; G62-A66 PolarHBondContact O-N 2.91Å; F63-A66 PolarHBondContact O-N 3.09Å; A66-T69 PolarHBondContact O-N 3.35Å; A66-A70 PolarHBondContact O-N 2.83Å
67	T	96.3	Very high	94.7	Very high	5 Å²	5	57.9 Å²	57.9	3%	0.031	31%	0.307	C	S	.	.	H	α-helix	trans	-58.2	-53.6	175.3	-59.9	0	0	0	0	111.1	F63 Q64 T69 A70 L71 T127 D130 I131	F63-T67 WeakPolarHBondContact O-CB 3.38Å; F63-T67 PolarHBondContact O-N 2.64Å; F63-T67 PolarHBondContact O-OG1 2.94Å; Q64-T67 PolarHBondContact O-N 3.37Å; T67-T69 VanDerWaalsContact C-N 3.26Å; T67-T69 PolarHBondContact O-N 2.94Å; T67-A70 PolarHBondContact O-N 3.34Å; T67-A70 VanDerWaalsContact O-N 3.16Å; T67-L71 HydrophobicContact CG2-CD1 4.11Å; T67-L71 HydrophobicContact CG2-CG 4.34Å; T67-L71 VanDerWaalsContact O-CG 3.29Å; T67-L71 WeakPolarHBondContact O-CG 3.45Å; T67-L71 PolarHBondContact O-N 3.06Å; T67-T127 VanDerWaalsContact OG1-CG2 3.27Å; T67-T127 WeakPolarHBondContact OG1-CG2 3.45Å; T67-T127 PolarHBondContact OG1-OG1 3.3Å; T67-D130 HydrophobicContact CG2-CB 4.08Å; T67-I131 HydrophobicContact CG2-CD1 4.03Å; T67-I131 HydrophobicContact CG2-CG1 4.35Å
68	Q	95.5	Very high	94.4	Very high	117 Å²	117	59.5 Å²	59.5	55%	0.547	32%	0.315	S	S	.	.	H	α-helix	trans	-58.5	-38.8	179.6	-73.6	174.8	-5.5	0	0	112.6	Q64 A65 L71 K72	Q64-Q68 VanDerWaalsContact O-CG 3.32Å; Q64-Q68 WeakPolarHBondContact O-CG 3.49Å; Q64-Q68 PolarHBondContact O-N 2.84Å; A65-Q68 PolarHBondContact O-N 3.35Å; Q68-L71 PolarHBondContact O-N 3.16Å; Q68-K72 WeakPolarHBondContact O-CB 3.49Å; Q68-K72 PolarHBondContact O-N 3.32Å
69	T	94.9	Very high	93.9	Very high	75 Å²	75	64 Å²	64	46%	0.46	33%	0.33	S	S	.	.	H	α-helix	trans	-65.4	-46	177	-58.6	0	0	0	0	111.4	A65 A66 T67 L71 K72 N73	A65-T69 WeakPolarHBondContact O-CB 3.43Å; A65-T69 PolarHBondContact O-N 2.96Å; A65-T69 PolarHBondContact O-OG1 3.22Å; A66-T69 PolarHBondContact O-N 3.35Å; T67-T69 VanDerWaalsContact C-N 3.26Å; T67-T69 PolarHBondContact O-N 2.94Å; T69-L71 PolarHBondContact O-N 3.33Å; T69-K72 PolarHBondContact O-N 3.48Å; T69-N73 PolarHBondContact O-N 2.64Å; T69-N73 PolarHBondContact O-ND2 3.08Å
70	A	95	Very high	93.4	Very high	6 Å²	6	66.7 Å²	66.7	5%	0.05	33%	0.334	C	S	.	.	H	α-helix	trans	-59.4	-46.8	175.8	0	0	0	0	0	111.3	A66 T67 K72 N73 T74 V104 I131	A66-A70 PolarHBondContact O-N 2.83Å; T67-A70 PolarHBondContact O-N 3.34Å; T67-A70 VanDerWaalsContact O-N 3.16Å; A70-K72 PolarHBondContact O-N 2.9Å; A70-N73 PolarHBondContact O-N 3.32Å; A70-T74 PolarHBondContact O-N 3.13Å; A70-T74 PolarHBondContact O-OG1 3.33Å; A70-V104 HydrophobicContact CB-CG2 3.93Å; A70-I131 HydrophobicContact CB-CD1 4.34Å
71	L	93.8	Very high	92.9	Very high	48 Å²	48	65.7 Å²	65.7	25%	0.251	33%	0.328	S	S	.	.	H	α-helix	trans	-62.1	-42.6	178.8	-63.9	-176.2	0	0	0	112.8	T67 Q68 T69 N73 T74 E75 L101 I131 V134	T67-L71 HydrophobicContact CG2-CD1 4.11Å; T67-L71 HydrophobicContact CG2-CG 4.34Å; T67-L71 VanDerWaalsContact O-CG 3.29Å; T67-L71 WeakPolarHBondContact O-CG 3.45Å; T67-L71 PolarHBondContact O-N 3.06Å; Q68-L71 PolarHBondContact O-N 3.16Å; T69-L71 PolarHBondContact O-N 3.33Å; L71-N73 VanDerWaalsContact C-N 3.32Å; L71-N73 PolarHBondContact O-N 3.1Å; L71-T74 WeakPolarHBondContact O-CB 3.43Å; L71-T74 PolarHBondContact O-N 3.35Å; L71-E75 PolarHBondContact O-N 3.44Å; L71-L101 HydrophobicContact CD2-CD2 4.36Å; L71-I131 HydrophobicContact CD2-CD1 4.19Å; L71-V134 HydrophobicContact CD1-CG2 4.49Å; L71-V134 HydrophobicContact CD2-CB 3.89Å; L71-V134 HydrophobicContact CD2-CG1 3.82Å; L71-V134 HydrophobicContact CD2-CG2 3.36Å
72	K	93.7	Very high	92.2	Very high	150 Å²	150	62.5 Å²	62.5	65%	0.652	32%	0.319	S	S	*	.	H	α-helix	trans	-61.9	-40.9	175.7	-174.4	-179.1	179.2	-176.9	0	111.8	Q68 T69 A70 E75 L76	Q68-K72 WeakPolarHBondContact O-CB 3.49Å; Q68-K72 PolarHBondContact O-N 3.32Å; T69-K72 PolarHBondContact O-N 3.48Å; A70-K72 PolarHBondContact O-N 2.9Å; K72-E75 PolarHBondContact O-N 3.41Å; K72-L76 PolarHBondContact O-N 3.09Å
73	N	91.8	Very high	91.6	Very high	88 Å²	88	65.9 Å²	65.9	47%	0.471	34%	0.342	S	S	.	.	H	α-helix	trans	-67.5	-38.6	176.1	-70.3	-17	0	0	0	111.4	T69 A70 L71 E75 L76 L77	T69-N73 PolarHBondContact O-N 2.64Å; T69-N73 PolarHBondContact O-ND2 3.08Å; A70-N73 PolarHBondContact O-N 3.32Å; L71-N73 VanDerWaalsContact C-N 3.32Å; L71-N73 PolarHBondContact O-N 3.1Å; N73-E75 PolarHBondContact O-N 2.88Å; N73-L76 PolarHBondContact O-N 3.32Å; N73-L77 WeakPolarHBondContact O-CB 3.27Å; N73-L77 WeakPolarHBondContact O-CG 3.29Å; N73-L77 PolarHBondContact O-N 3.49Å
74	T	93.6	Very high	91	Very high	6 Å²	6	67 Å²	67	4%	0.037	35%	0.35	C	S	.	.	H	α-helix	trans	-56.8	-47.1	173.3	-64.9	0	0	0	0	111.4	A70 L71 L76 L77 L78 L97 L101 V134 L138	A70-T74 PolarHBondContact O-N 3.13Å; A70-T74 PolarHBondContact O-OG1 3.33Å; L71-T74 WeakPolarHBondContact O-CB 3.43Å; L71-T74 PolarHBondContact O-N 3.35Å; T74-L76 VanDerWaalsContact C-N 3.29Å; T74-L76 PolarHBondContact O-N 2.88Å; T74-L77 PolarHBondContact O-N 2.77Å; T74-L78 HydrophobicContact CG2-CD1 4.22Å; T74-L78 HydrophobicContact CG2-CG 4.33Å; T74-L78 VanDerWaalsContact O-CB 3.32Å; T74-L78 WeakPolarHBondContact O-CB 3.33Å; T74-L78 VanDerWaalsContact O-CG 3.25Å; T74-L78 WeakPolarHBondContact O-CG 3.46Å; T74-L78 PolarHBondContact O-N 3.37Å; T74-L97 HydrophobicContact CG2-CD2 3.89Å; T74-L101 WeakPolarHBondContact OG1-CD2 3.42Å; T74-V134 HydrophobicContact CG2-CG1 4.31Å; T74-L138 HydrophobicContact CG2-CD1 3.99Å; T74-L138 HydrophobicContact CG2-CD2 4.21Å
75	E	90.6	Very high	90.6	Very high	138 Å²	138	66.6 Å²	66.6	65%	0.645	36%	0.358	S	S	*	.	H	α-helix	trans	-58.9	-39.4	177.4	-71.6	175.7	177.9	0	0	112.7	L71 K72 N73 H79	L71-E75 PolarHBondContact O-N 3.44Å; K72-E75 PolarHBondContact O-N 3.41Å; N73-E75 PolarHBondContact O-N 2.88Å; E75-H79 PolarHBondContact O-N 3Å
76	L	88.9	Confident	90.3	Very high	129 Å²	129	67.3 Å²	67.3	68%	0.675	36%	0.359	S	S	*	.	H	α-helix	trans	-71.8	-41.9	-179.6	-157	144.4	0	0	0	111.7	K72 N73 T74	K72-L76 PolarHBondContact O-N 3.09Å; N73-L76 PolarHBondContact O-N 3.32Å; T74-L76 VanDerWaalsContact C-N 3.29Å; T74-L76 PolarHBondContact O-N 2.88Å
77	L	90.1	Very high	90.1	Very high	30 Å²	30	67.2 Å²	67.2	16%	0.157	36%	0.36	C	S	.	.	H	α-helix	trans	-69.6	-33.4	176.5	-73.3	173	0	0	0	112.5	N73 T74 H79 R80 A81 Q96 L97	N73-L77 WeakPolarHBondContact O-CB 3.27Å; N73-L77 WeakPolarHBondContact O-CG 3.29Å; N73-L77 PolarHBondContact O-N 3.49Å; T74-L77 PolarHBondContact O-N 2.77Å; L77-H79 VanDerWaalsContact C-N 3.34Å; L77-H79 PolarHBondContact O-N 2.93Å; L77-R80 WeakPolarHBondContact O-CB 3.34Å; L77-R80 PolarHBondContact O-N 3.22Å; L77-R80 VanDerWaalsContact O-N 3.13Å; L77-A81 WeakPolarHBondContact O-CB 3.36Å; L77-A81 PolarHBondContact O-N 3.37Å; L77-Q96 HydrophobicContact CD1-CB 3.88Å; L77-Q96 HydrophobicContact CD2-CB 4.22Å; L77-Q96 VanDerWaalsContact CD2-OE1 3.25Å; L77-L97 HydrophobicContact CB-CD2 3.45Å; L77-L97 VanDerWaalsContact CB-CD2 3.45Å; L77-L97 HydrophobicContact CB-CG 3.89Å; L77-L97 HydrophobicContact CD1-CD2 4.11Å; L77-L97 HydrophobicContact CD1-CG 4.35Å; L77-L97 HydrophobicContact CG-CD2 4.45Å
78	L	89.4	Confident	89.9	Confident	38 Å²	38	69.3 Å²	69.3	20%	0.199	37%	0.373	C	S	.	.	H	α-helix	trans	-56.4	-47.8	175.2	-88.4	178.4	0	0	0	111.7	T74 R80 A81 C82 L97 L138 L144	T74-L78 HydrophobicContact CG2-CD1 4.22Å; T74-L78 HydrophobicContact CG2-CG 4.33Å; T74-L78 VanDerWaalsContact O-CB 3.32Å; T74-L78 WeakPolarHBondContact O-CB 3.33Å; T74-L78 VanDerWaalsContact O-CG 3.25Å; T74-L78 WeakPolarHBondContact O-CG 3.46Å; T74-L78 PolarHBondContact O-N 3.37Å; L78-R80 VanDerWaalsContact C-N 3.26Å; L78-R80 PolarHBondContact O-N 2.86Å; L78-A81 PolarHBondContact O-N 3.07Å; L78-C82 PolarHBondContact O-N 2.92Å; L78-C82 VanDerWaalsContact O-N 3.07Å; L78-C82 PolarHBondContact O-SG 3.04Å; L78-C82 VanDerWaalsContact O-SG 3.37Å; L78-L97 HydrophobicContact CD2-CD1 4.37Å; L78-L97 HydrophobicContact CG-CD2 4.47Å; L78-L138 HydrophobicContact CD1-CD2 3.86Å; L78-L138 HydrophobicContact CD2-CD2 3.49Å; L78-L138 VanDerWaalsContact CD2-CD2 3.49Å; L78-L138 HydrophobicContact CG-CD2 3.97Å; L78-L144 HydrophobicContact CD2-CD1 3.44Å; L78-L144 VanDerWaalsContact CD2-CD1 3.44Å; L78-L144 HydrophobicContact CD2-CD2 3.82Å; L78-L144 HydrophobicContact CD2-CG 3.83Å
79	H	84.9	Confident	89.7	Confident	144 Å²	144	68.8 Å²	68.8	67%	0.667	37%	0.37	S	S	*	.	H	α-helix	trans	-59.4	-41.4	177.6	-177.7	-82.5	0	0	0	111.2	E75 L77 S83	E75-H79 PolarHBondContact O-N 3Å; L77-H79 VanDerWaalsContact C-N 3.34Å; L77-H79 PolarHBondContact O-N 2.93Å; H79-S83 WeakPolarHBondContact O-CB 3.32Å; H79-S83 PolarHBondContact O-N 3.19Å; H79-S83 PolarHBondContact O-OG 2.73Å
80	R	86.4	Confident	89.6	Confident	105 Å²	105	65.3 Å²	65.3	40%	0.396	35%	0.349	S	S	.	.	H	α-helix	trans	-67.1	-46.1	179	-168.8	-179.6	171.6	-166.1	-3.5	111.8	L77 L78 C82 S83 C84	L77-R80 WeakPolarHBondContact O-CB 3.34Å; L77-R80 PolarHBondContact O-N 3.22Å; L77-R80 VanDerWaalsContact O-N 3.13Å; L78-R80 VanDerWaalsContact C-N 3.26Å; L78-R80 PolarHBondContact O-N 2.86Å; R80-C82 VanDerWaalsContact C-N 3.26Å; R80-C82 PolarHBondContact O-N 2.84Å; R80-S83 PolarHBondContact O-N 3.49Å; R80-S83 VanDerWaalsContact O-N 3.1Å; R80-S83 PolarHBondContact O-OG 3.07Å; R80-C84 WeakPolarHBondContact O-CB 3.25Å; R80-C84 PolarHBondContact O-N 2.93Å
81	A	86.1	Confident	89.5	Confident	2 Å²	2	65 Å²	65	2%	0.017	35%	0.347	C	S	.	.	H	α-helix	trans	-60	-35.7	178.8	0	0	0	0	0	112.4	L77 L78 C93 F94 L97 L144	L77-A81 WeakPolarHBondContact O-CB 3.36Å; L77-A81 PolarHBondContact O-N 3.37Å; L78-A81 PolarHBondContact O-N 3.07Å; A81-C93 HydrophobicContact CB-CB 3.91Å; A81-F94 HydrophobicContact CB-CD2 4.32Å; A81-F94 HydrophobicContact CB-CE2 4.12Å; A81-L97 HydrophobicContact CB-CD1 4.35Å; A81-L144 HydrophobicContact CB-CD2 3.6Å
82	C	83	Confident	89.5	Confident	61 Å²	61	63.4 Å²	63.4	41%	0.412	34%	0.338	S	S	.	.	H	α-helix	trans	-81.2	-17.4	177.4	-65	0	0	0	0	114.2	L78 R80	L78-C82 PolarHBondContact O-N 2.92Å; L78-C82 VanDerWaalsContact O-N 3.07Å; L78-C82 PolarHBondContact O-SG 3.04Å; L78-C82 VanDerWaalsContact O-SG 3.37Å; R80-C82 VanDerWaalsContact C-N 3.26Å; R80-C82 PolarHBondContact O-N 2.84Å
83	S	84.1	Confident	89.4	Confident	76 Å²	76	56.2 Å²	56.2	53%	0.531	31%	0.307	S	S	.	.	H	α-helix	trans	-112.3	-15.5	-173.3	56.9	0	0	0	0	114.7	H79 R80	H79-S83 WeakPolarHBondContact O-CB 3.32Å; H79-S83 PolarHBondContact O-N 3.19Å; H79-S83 PolarHBondContact O-OG 2.73Å; R80-S83 PolarHBondContact O-N 3.49Å; R80-S83 VanDerWaalsContact O-N 3.1Å; R80-S83 PolarHBondContact O-OG 3.07Å
84	C	85.7	Confident	89.5	Confident	27 Å²	27	52.5 Å²	52.5	18%	0.182	29%	0.286	C	S	.	.	S	Bend	trans	-66.7	152.6	176.4	65.1	0	0	0	0	111.9	R80 T90	R80-C84 WeakPolarHBondContact O-CB 3.25Å; R80-C84 PolarHBondContact O-N 2.93Å; C84-T90 PolarHBondContact SG-OG1 3.41Å
85	S	86.4	Confident	89.6	Confident	96 Å²	96	52.2 Å²	52.2	67%	0.671	29%	0.285	S	S	*	.	P	Polyproline II helix	trans	-67.5	142.7	172.8	-69	0	0	0	0	110.3	G87 T90	S85-G87 PolarHBondContact O-N 3Å; S85-G87 VanDerWaalsContact O-N 3.16Å; S85-T90 PolarHBondContact O-OG1 2.95Å
86	P	89.9	Confident	89.8	Confident	56 Å²	56	46.3 Å²	46.3	36%	0.364	26%	0.257	S	S	.	.	S	Bend	trans	-57.3	120.3	178.9	-24.7	33.9	0	0	0	111.5	N150 L151 V157	P86-N150 HydrophobicContact CG-CB 4.26Å; P86-L151 HydrophobicContact CB-CB 4.02Å; P86-V157 WeakPolarHBondContact O-CG1 3.35Å
87	G	92.1	Very high	90.1	Very high	14 Å²	14	40.5 Å²	40.5	14%	0.144	23%	0.227	C	C	.	.	S	Bend	trans	168.8	-159.4	179	0	0	0	0	0	112.7	S85 E89 T90 L151	S85-G87 PolarHBondContact O-N 3Å; S85-G87 VanDerWaalsContact O-N 3.16Å; G87-E89 PolarHBondContact O-N 2.87Å; G87-T90 PolarHBondContact N-OG1 3.46Å; G87-T90 VanDerWaalsContact O-CB 3.27Å; G87-T90 WeakPolarHBondContact O-CB 3.45Å; G87-T90 PolarHBondContact O-N 3.24Å; G87-T90 PolarHBondContact O-OG1 2.79Å; G87-L151 WeakPolarHBondContact O-CD1 3.4Å
88	V	92.3	Very high	90.3	Very high	50 Å²	50	40 Å²	40	30%	0.303	23%	0.225	S	C	.	.	H	α-helix	trans	-54.5	-41.7	-179	177.9	0	0	0	0	111.9	T90 V91 E92 L161 T165	V88-T90 PolarHBondContact O-N 3.32Å; V88-V91 PolarHBondContact O-N 3.29Å; V88-V91 VanDerWaalsContact O-N 3.08Å; V88-E92 HydrophobicContact CG1-CG 4.31Å; V88-E92 WeakPolarHBondContact CG1-OE1 3.24Å; V88-E92 WeakPolarHBondContact O-CG 3.47Å; V88-E92 PolarHBondContact O-N 2.87Å; V88-L161 HydrophobicContact CB-CD2 4.49Å; V88-L161 HydrophobicContact CG2-CD2 3.57Å; V88-T165 HydrophobicContact CG2-CG2 4.45Å
89	E	90.8	Very high	90.6	Very high	105 Å²	105	38.8 Å²	38.8	49%	0.491	22%	0.219	S	C	.	.	H	α-helix	trans	-59.2	-32.4	178.5	-64.3	-175.9	177.8	0	0	113	G87 E92 C93	G87-E89 PolarHBondContact O-N 2.87Å; E89-E92 PolarHBondContact O-N 3.33Å; E89-C93 PolarHBondContact O-N 2.61Å; E89-C93 PolarHBondContact O-SG 3.49Å
90	T	92.2	Very high	91.1	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.012	20%	0.2	C	C	.	.	H	α-helix	trans	-61.8	-51.2	175.5	-49.2	0	0	0	0	109.5	C84 S85 G87 V88 E92 C93 F94 L151	C84-T90 PolarHBondContact SG-OG1 3.41Å; S85-T90 PolarHBondContact O-OG1 2.95Å; G87-T90 PolarHBondContact N-OG1 3.46Å; G87-T90 VanDerWaalsContact O-CB 3.27Å; G87-T90 WeakPolarHBondContact O-CB 3.45Å; G87-T90 PolarHBondContact O-N 3.24Å; G87-T90 PolarHBondContact O-OG1 2.79Å; V88-T90 PolarHBondContact O-N 3.32Å; T90-E92 VanDerWaalsContact C-N 3.28Å; T90-E92 PolarHBondContact O-N 2.61Å; T90-C93 PolarHBondContact O-N 2.63Å; T90-F94 HydrophobicContact CG2-CD2 4.29Å; T90-F94 HydrophobicContact CG2-CE2 4.08Å; T90-F94 WeakPolarHBondContact O-CD2 3.33Å; T90-F94 PolarHBondContact O-N 2.91Å; T90-F94 VanDerWaalsContact O-N 3.15Å; T90-L151 HydrophobicContact CG2-CD1 4.28Å
91	V	94.4	Very high	91.5	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-63.9	-37.3	-178.6	-173.4	0	0	0	0	111.2	V88 F94 D95 L151 T165 V168 A169 Y497	V88-V91 PolarHBondContact O-N 3.29Å; V88-V91 VanDerWaalsContact O-N 3.08Å; V91-F94 PolarHBondContact O-N 2.85Å; V91-D95 PolarHBondContact O-N 3.4Å; V91-L151 HydrophobicContact CG2-CD1 3.87Å; V91-T165 HydrophobicContact CB-CG2 3.87Å; V91-T165 HydrophobicContact CG1-CG2 4.07Å; V91-T165 HydrophobicContact CG2-CG2 3.7Å; V91-V168 HydrophobicContact CG1-CB 4Å; V91-V168 HydrophobicContact CG1-CG1 3.63Å; V91-A169 HydrophobicContact CG2-CB 3.77Å; V91-Y497 HydrophobicContact CG1-CE1 4.03Å
92	E	92.9	Very high	91.9	Very high	14 Å²	14	29.1 Å²	29.1	7%	0.065	19%	0.187	C	C	.	.	H	α-helix	trans	-66.4	-39.3	177.1	-71.8	165.4	171	0	0	113	V88 E89 T90 F94 D95 Q96 Q445 Y497	V88-E92 HydrophobicContact CG1-CG 4.31Å; V88-E92 WeakPolarHBondContact CG1-OE1 3.24Å; V88-E92 WeakPolarHBondContact O-CG 3.47Å; V88-E92 PolarHBondContact O-N 2.87Å; E89-E92 PolarHBondContact O-N 3.33Å; T90-E92 VanDerWaalsContact C-N 3.28Å; T90-E92 PolarHBondContact O-N 2.61Å; E92-F94 VanDerWaalsContact C-N 3.32Å; E92-F94 PolarHBondContact O-N 2.93Å; E92-D95 PolarHBondContact O-N 3.26Å; E92-Q96 WeakPolarHBondContact O-CB 3.42Å; E92-Q96 VanDerWaalsContact O-CG 3.26Å; E92-Q96 WeakPolarHBondContact O-CG 3.3Å; E92-Q96 PolarHBondContact O-N 3.49Å; E92-Q445 VanDerWaalsContact CD-CD 3.4Å; E92-Q445 VanDerWaalsContact CD-OE1 3.29Å; E92-Q445 PolarHBondContact OE1-NE2 3.29Å; E92-Q445 PolarHBondContact OE2-NE2 3.07Å; E92-Q445 PolarHBondContact OE2-OE1 3.25Å; E92-Y497 HydrophobicContact CG-CE1 3.86Å
93	C	92.6	Very high	92.4	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-62.8	-40.9	173.8	-68.6	0	0	0	0	111.3	A81 E89 T90 Q96 L97	A81-C93 HydrophobicContact CB-CB 3.91Å; E89-C93 PolarHBondContact O-N 2.61Å; E89-C93 PolarHBondContact O-SG 3.49Å; T90-C93 PolarHBondContact O-N 2.63Å; C93-Q96 PolarHBondContact O-N 3.5Å; C93-L97 WeakPolarHBondContact O-CG 3.21Å; C93-L97 PolarHBondContact O-N 2.87Å
94	F	94.4	Very high	93	Very high	10 Å²	10	26.7 Å²	26.7	4%	0.044	16%	0.162	C	C	.	.	H	α-helix	trans	-64.1	-42.6	175.1	-86	-107.8	0	0	0	112.3	A81 T90 V91 E92 Q96 L97 S98 L144 L148 F172 F176	A81-F94 HydrophobicContact CB-CD2 4.32Å; A81-F94 HydrophobicContact CB-CE2 4.12Å; T90-F94 HydrophobicContact CG2-CD2 4.29Å; T90-F94 HydrophobicContact CG2-CE2 4.08Å; T90-F94 WeakPolarHBondContact O-CD2 3.33Å; T90-F94 PolarHBondContact O-N 2.91Å; T90-F94 VanDerWaalsContact O-N 3.15Å; V91-F94 PolarHBondContact O-N 2.85Å; E92-F94 VanDerWaalsContact C-N 3.32Å; E92-F94 PolarHBondContact O-N 2.93Å; F94-Q96 PolarHBondContact O-N 3.41Å; F94-L97 WeakPolarHBondContact O-CB 3.35Å; F94-L97 PolarHBondContact O-N 3.14Å; F94-S98 PolarHBondContact O-N 3.24Å; F94-L144 HydrophobicContact CE1-CB 4.2Å; F94-L144 HydrophobicContact CE1-CD2 4.42Å; F94-L144 HydrophobicContact CE2-CD2 4.03Å; F94-L144 HydrophobicContact CZ-CB 3.76Å; F94-L144 HydrophobicContact CZ-CD2 3.75Å; F94-L144 HydrophobicContact CZ-CG 4.26Å; F94-L144 WeakPolarHBondContact CZ-O 3.36Å; F94-L148 HydrophobicContact CE1-CD2 4.49Å; F94-L148 HydrophobicContact CZ-CB 4.32Å; F94-F172 HydrophobicContact CB-CD2 3.75Å; F94-F172 HydrophobicContact CB-CE1 4.43Å; F94-F172 HydrophobicContact CB-CE2 3.55Å; F94-F172 HydrophobicContact CB-CG 4.28Å; F94-F172 HydrophobicContact CB-CZ 3.93Å; F94-F172 HydrophobicContact CD1-CB 4.31Å; F94-F172 HydrophobicContact CD1-CD1 4.3Å; F94-F172 HydrophobicContact CD1-CD2 4.34Å; F94-F172 HydrophobicContact CD1-CG 4.09Å; F94-F172 HydrophobicContact CG-CD2 4.39Å; F94-F176 HydrophobicContact CD1-CE2 4.43Å; F94-F176 AromaticContact CE1-CE2 3.54Å; F94-F176 HydrophobicContact CE1-CE2 3.54Å; F94-F176 AromaticContact CE1-CZ 3.67Å; F94-F176 HydrophobicContact CE1-CZ 3.67Å; F94-F176 HydrophobicContact CZ-CE2 4.27Å; F94-F176 HydrophobicContact CZ-CZ 4.31Å
95	D	95.2	Very high	93.5	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-68.5	-33.9	177.4	-165.1	68.5	0	0	0	112.5	V91 E92 S98 D99 F172 R442 Y497 Q498 H499	V91-D95 PolarHBondContact O-N 3.4Å; E92-D95 PolarHBondContact O-N 3.26Å; D95-S98 PolarHBondContact O-N 3.06Å; D95-D99 VanDerWaalsContact O-CB 3.27Å; D95-D99 WeakPolarHBondContact O-CB 3.14Å; D95-D99 PolarHBondContact O-N 2.99Å; D95-F172 HydrophobicContact CB-CE2 4.44Å; D95-F172 HydrophobicContact CB-CZ 4.46Å; D95-R442 IonicContact OD2-CZ 3.89Å; D95-R442 IonicContact OD2-NH1 2.69Å; D95-R442 PolarHBondContact OD2-NH1 2.65Å; D95-Y497 HydrophobicContact CB-CD1 3.7Å; D95-Y497 HydrophobicContact CB-CE1 4.46Å; D95-Y497 WeakPolarHBondContact OD1-CB 3.21Å; D95-Y497 VanDerWaalsContact OD2-CA 3.31Å; D95-Y497 WeakPolarHBondContact OD2-CA 3Å; D95-Q498 VanDerWaalsContact CG-N 3.26Å; D95-Q498 PolarHBondContact OD1-N 3Å; D95-Q498 PolarHBondContact OD2-N 3.23Å; D95-H499 WeakPolarHBondContact OD1-CB 3.38Å; D95-H499 PolarHBondContact OD1-N 2.8Å
96	Q	94.5	Very high	93.9	Very high	14 Å²	14	23.3 Å²	23.3	7%	0.065	14%	0.137	C	C	.	.	H	α-helix	trans	-64.8	-39.7	171.3	-74.8	161.6	11	0	0	112.1	L77 E92 C93 F94 D99 G100 E446	L77-Q96 HydrophobicContact CD1-CB 3.88Å; L77-Q96 HydrophobicContact CD2-CB 4.22Å; L77-Q96 VanDerWaalsContact CD2-OE1 3.25Å; E92-Q96 WeakPolarHBondContact O-CB 3.42Å; E92-Q96 VanDerWaalsContact O-CG 3.26Å; E92-Q96 WeakPolarHBondContact O-CG 3.3Å; E92-Q96 PolarHBondContact O-N 3.49Å; C93-Q96 PolarHBondContact O-N 3.5Å; F94-Q96 PolarHBondContact O-N 3.41Å; Q96-D99 PolarHBondContact O-N 3.49Å; Q96-G100 PolarHBondContact O-N 3.47Å; Q96-E446 PolarHBondContact NE2-OE1 2.96Å
97	L	94.3	Very high	94.3	Very high	7 Å²	7	21 Å²	21	4%	0.037	12%	0.122	C	C	.	.	H	α-helix	trans	-60.5	-48.4	172.8	-74.4	168.6	0	0	0	110.6	T74 L77 L78 A81 C93 F94 L101	T74-L97 HydrophobicContact CG2-CD2 3.89Å; L77-L97 HydrophobicContact CB-CD2 3.45Å; L77-L97 VanDerWaalsContact CB-CD2 3.45Å; L77-L97 HydrophobicContact CB-CG 3.89Å; L77-L97 HydrophobicContact CD1-CD2 4.11Å; L77-L97 HydrophobicContact CD1-CG 4.35Å; L77-L97 HydrophobicContact CG-CD2 4.45Å; L78-L97 HydrophobicContact CD2-CD1 4.37Å; L78-L97 HydrophobicContact CG-CD2 4.47Å; A81-L97 HydrophobicContact CB-CD1 4.35Å; C93-L97 WeakPolarHBondContact O-CG 3.21Å; C93-L97 PolarHBondContact O-N 2.87Å; F94-L97 WeakPolarHBondContact O-CB 3.35Å; F94-L97 PolarHBondContact O-N 3.14Å; L97-L101 WeakPolarHBondContact O-CG 3.44Å; L97-L101 PolarHBondContact O-N 3.16Å
98	S	95	Very high	94.5	Very high	19 Å²	19	20.4 Å²	20.4	13%	0.133	12%	0.116	C	C	.	.	H	α-helix	trans	-60	-48.5	177.1	-178.2	0	0	0	0	111.4	F94 D95 G100 L101 C102	F94-S98 PolarHBondContact O-N 3.24Å; D95-S98 PolarHBondContact O-N 3.06Å; S98-G100 PolarHBondContact O-N 3.26Å; S98-L101 PolarHBondContact O-N 3.24Å; S98-C102 WeakPolarHBondContact O-CB 3.42Å; S98-C102 PolarHBondContact O-N 3.04Å; S98-C102 PolarHBondContact O-SG 3.47Å
99	D	95.3	Very high	94.6	Very high	12 Å²	12	21.1 Å²	21.1	6%	0.064	12%	0.118	C	C	.	.	H	α-helix	trans	-62.2	-44.9	-179.8	176.6	68.7	0	0	0	113.1	D95 Q96 L101 K103 Q451 Q498	D95-D99 VanDerWaalsContact O-CB 3.27Å; D95-D99 WeakPolarHBondContact O-CB 3.14Å; D95-D99 PolarHBondContact O-N 2.99Å; Q96-D99 PolarHBondContact O-N 3.49Å; D99-L101 VanDerWaalsContact C-N 3.32Å; D99-L101 PolarHBondContact O-N 3.32Å; D99-K103 WeakPolarHBondContact O-CB 3.25Å; D99-K103 WeakPolarHBondContact O-CD 3.27Å; D99-K103 VanDerWaalsContact O-CG 3.25Å; D99-K103 WeakPolarHBondContact O-CG 3.38Å; D99-K103 PolarHBondContact O-N 3.22Å; D99-K103 WeakPolarHBondContact OD1-CE 3.26Å; D99-K103 IonicContact OD1-NZ 3.74Å; D99-K103 PolarHBondContact OD1-NZ 3.07Å; D99-K103 WeakPolarHBondContact OD2-CE 3.45Å; D99-K103 IonicContact OD2-NZ 3.9Å; D99-K103 PolarHBondContact OD2-NZ 3.42Å; D99-Q451 PolarHBondContact OD1-NE2 3.48Å; D99-Q498 HydrophobicContact CB-CB 3.96Å; D99-Q498 HydrophobicContact CB-CG 3.92Å; D99-Q498 PolarHBondContact OD1-NE2 3.01Å
100	G	94.8	Very high	94.9	Very high	25 Å²	25	16.1 Å²	16.1	26%	0.258	9%	0.094	S	C	.	.	H	α-helix	trans	-60.8	-39.5	179.1	0	0	0	0	0	113.2	Q96 S98	Q96-G100 PolarHBondContact O-N 3.47Å; S98-G100 PolarHBondContact O-N 3.26Å
101	L	96	Very high	95.1	Very high	4 Å²	4	16 Å²	16	2%	0.021	9%	0.094	C	C	.	.	H	α-helix	trans	-79.5	-46.8	178.7	-65.6	170.4	0	0	0	112	L71 T74 L97 S98 D99 K103 V104 A105 I131 V134 V135 L138	L71-L101 HydrophobicContact CD2-CD2 4.36Å; T74-L101 WeakPolarHBondContact OG1-CD2 3.42Å; L97-L101 WeakPolarHBondContact O-CG 3.44Å; L97-L101 PolarHBondContact O-N 3.16Å; S98-L101 PolarHBondContact O-N 3.24Å; D99-L101 VanDerWaalsContact C-N 3.32Å; D99-L101 PolarHBondContact O-N 3.32Å; L101-K103 VanDerWaalsContact C-N 3.34Å; L101-K103 PolarHBondContact O-N 3.38Å; L101-V104 PolarHBondContact O-N 3.17Å; L101-V104 VanDerWaalsContact O-N 3.12Å; L101-A105 PolarHBondContact O-N 3.3Å; L101-I131 HydrophobicContact CB-CG2 4.07Å; L101-I131 HydrophobicContact CD2-CD1 3.89Å; L101-I131 HydrophobicContact CD2-CG2 4.14Å; L101-V134 HydrophobicContact CD1-CG1 4.46Å; L101-V134 HydrophobicContact CD2-CG1 4.35Å; L101-V135 HydrophobicContact CD1-CG2 4Å; L101-L138 HydrophobicContact CD1-CD1 3.45Å; L101-L138 VanDerWaalsContact CD1-CD1 3.45Å
102	C	94.9	Very high	95.1	Very high	20 Å²	20	19.5 Å²	19.5	14%	0.135	11%	0.109	C	C	.	.	H	α-helix	trans	-64.2	-35.4	-177	-71.9	0	0	0	0	112.6	S98 V104 A105 D106	S98-C102 WeakPolarHBondContact O-CB 3.42Å; S98-C102 PolarHBondContact O-N 3.04Å; S98-C102 PolarHBondContact O-SG 3.47Å; C102-V104 PolarHBondContact O-N 3.05Å; C102-V104 VanDerWaalsContact O-N 3.17Å; C102-A105 PolarHBondContact O-N 3.43Å; C102-D106 WeakPolarHBondContact O-CB 3.38Å; C102-D106 PolarHBondContact O-N 3Å
103	K	93.3	Very high	95	Very high	64 Å²	64	20.9 Å²	20.9	28%	0.278	12%	0.118	S	C	.	.	H	α-helix	trans	-56.2	-32.1	174	-82.8	168.8	172	163.9	0	113.9	D99 L101 L107 R439	D99-K103 WeakPolarHBondContact O-CB 3.25Å; D99-K103 WeakPolarHBondContact O-CD 3.27Å; D99-K103 VanDerWaalsContact O-CG 3.25Å; D99-K103 WeakPolarHBondContact O-CG 3.38Å; D99-K103 PolarHBondContact O-N 3.22Å; D99-K103 WeakPolarHBondContact OD1-CE 3.26Å; D99-K103 IonicContact OD1-NZ 3.74Å; D99-K103 PolarHBondContact OD1-NZ 3.07Å; D99-K103 WeakPolarHBondContact OD2-CE 3.45Å; D99-K103 IonicContact OD2-NZ 3.9Å; D99-K103 PolarHBondContact OD2-NZ 3.42Å; L101-K103 VanDerWaalsContact C-N 3.34Å; L101-K103 PolarHBondContact O-N 3.38Å; K103-L107 WeakPolarHBondContact O-CB 3.27Å; K103-R439 HydrophobicContact CG-CG 4.09Å
104	V	96.4	Very high	95	Very high	21 Å²	21	21 Å²	21	13%	0.127	12%	0.119	C	C	.	.	H	α-helix	trans	-88.1	-46.7	178.5	-179.9	0	0	0	0	109.9	A70 L101 C102 A108 T127 I131	A70-V104 HydrophobicContact CB-CG2 3.93Å; L101-V104 PolarHBondContact O-N 3.17Å; L101-V104 VanDerWaalsContact O-N 3.12Å; C102-V104 PolarHBondContact O-N 3.05Å; C102-V104 VanDerWaalsContact O-N 3.17Å; V104-A108 VanDerWaalsContact O-CB 3.26Å; V104-A108 WeakPolarHBondContact O-CB 3.21Å; V104-A108 PolarHBondContact O-N 2.84Å; V104-T127 HydrophobicContact CG1-CG2 3.46Å; V104-T127 VanDerWaalsContact CG1-CG2 3.46Å; V104-I131 HydrophobicContact CG1-CD1 4.43Å; V104-I131 HydrophobicContact CG1-CG1 4.19Å
105	A	95.7	Very high	95.1	Very high	23 Å²	23	21.2 Å²	21.2	19%	0.19	12%	0.12	C	C	.	.	H	α-helix	trans	-63.8	-50.2	-178.3	0	0	0	0	0	112.9	L101 C102 L107 A108 D109 I131	L101-A105 PolarHBondContact O-N 3.3Å; C102-A105 PolarHBondContact O-N 3.43Å; A105-L107 VanDerWaalsContact C-N 3.35Å; A105-L107 PolarHBondContact O-N 2.94Å; A105-A108 PolarHBondContact O-N 3.23Å; A105-D109 VanDerWaalsContact O-CB 3.32Å; A105-D109 WeakPolarHBondContact O-CB 3.42Å; A105-D109 PolarHBondContact O-N 3.5Å; A105-I131 HydrophobicContact CB-CB 4.41Å; A105-I131 HydrophobicContact CB-CG2 3.82Å
106	D	96.1	Very high	95.1	Very high	29 Å²	29	24 Å²	24	16%	0.155	14%	0.138	C	C	.	.	H	α-helix	trans	-63.5	-41.8	-176.6	-64.6	-17.5	0	0	0	111	C102 D109 F110 T437 R504	C102-D106 WeakPolarHBondContact O-CB 3.38Å; C102-D106 PolarHBondContact O-N 3Å; D106-D109 PolarHBondContact O-N 2.94Å; D106-F110 PolarHBondContact O-N 3Å; D106-T437 WeakPolarHBondContact CB-O 3.49Å; D106-R504 IonicContact OD1-NH2 3.63Å; D106-R504 PolarHBondContact OD1-NH2 3.27Å; D106-R504 IonicContact OD2-CZ 3.3Å; D106-R504 IonicContact OD2-NH2 3.72Å; D106-R504 PolarHBondContact OD2-NH2 3.31Å
107	L	96.8	Very high	95.1	Very high	9 Å²	9	26.6 Å²	26.6	5%	0.047	15%	0.153	C	C	.	.	H	α-helix	trans	-62.7	-48.8	174.8	-174.6	158.9	0	0	0	111.3	F52 V54 L57 F63 K103 A105 D109 F110 I111 I438	F52-L107 HydrophobicContact CD2-CD1 3.73Å; F52-L107 HydrophobicContact CD2-CD2 4.43Å; F52-L107 HydrophobicContact CD2-CG 3.86Å; F52-L107 HydrophobicContact CE2-CD1 4.38Å; F52-L107 HydrophobicContact CE2-CD2 4.47Å; F52-L107 HydrophobicContact CE2-CG 4Å; F52-L107 HydrophobicContact CG-CD1 4.46Å; V54-L107 HydrophobicContact CG2-CD1 4.13Å; L57-L107 HydrophobicContact CD1-CD1 3.74Å; L57-L107 HydrophobicContact CD1-CD2 3.38Å; L57-L107 HydrophobicContact CD1-CG 4.25Å; F63-L107 HydrophobicContact CE1-CD2 3.71Å; F63-L107 HydrophobicContact CZ-CD2 3.86Å; K103-L107 WeakPolarHBondContact O-CB 3.27Å; A105-L107 VanDerWaalsContact C-N 3.35Å; A105-L107 PolarHBondContact O-N 2.94Å; L107-D109 VanDerWaalsContact C-N 3.28Å; L107-D109 PolarHBondContact O-N 3.12Å; L107-F110 PolarHBondContact O-N 3.17Å; L107-I111 HydrophobicContact CD2-CG1 3.91Å; L107-I111 WeakPolarHBondContact O-CG1 3.49Å; L107-I111 PolarHBondContact O-N 3.39Å; L107-I438 HydrophobicContact CB-CG2 3.99Å; L107-I438 HydrophobicContact CD1-CG2 3.9Å; L107-I438 HydrophobicContact CG-CG2 3.93Å
108	A	97.4	Very high	95.2	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-62.8	-36.6	178.5	0	0	0	0	0	111.7	F63 V104 A105 F110 I111 K112 A124 T127	F63-A108 HydrophobicContact CD1-CB 4.27Å; F63-A108 HydrophobicContact CE1-CB 3.97Å; V104-A108 VanDerWaalsContact O-CB 3.26Å; V104-A108 WeakPolarHBondContact O-CB 3.21Å; V104-A108 PolarHBondContact O-N 2.84Å; A105-A108 PolarHBondContact O-N 3.23Å; A108-F110 VanDerWaalsContact C-N 3.3Å; A108-F110 PolarHBondContact O-N 3.26Å; A108-I111 PolarHBondContact O-N 2.88Å; A108-K112 WeakPolarHBondContact O-CB 3.4Å; A108-K112 PolarHBondContact O-N 3.39Å; A108-A124 HydrophobicContact CB-CB 4.11Å; A108-A124 WeakPolarHBondContact O-CB 3.26Å; A108-T127 HydrophobicContact CB-CG2 3.79Å
109	D	94.8	Very high	95.4	Very high	65 Å²	65	30.2 Å²	30.2	35%	0.348	18%	0.18	S	C	.	.	H	α-helix	trans	-61.3	-38.2	177.8	-165	69.7	0	0	0	112.3	A105 D106 L107 K112 V113 C128	A105-D109 VanDerWaalsContact O-CB 3.32Å; A105-D109 WeakPolarHBondContact O-CB 3.42Å; A105-D109 PolarHBondContact O-N 3.5Å; D106-D109 PolarHBondContact O-N 2.94Å; L107-D109 VanDerWaalsContact C-N 3.28Å; L107-D109 PolarHBondContact O-N 3.12Å; D109-K112 WeakPolarHBondContact O-CG 3.36Å; D109-K112 WeakPolarHBondContact OD1-CE 3.41Å; D109-K112 IonicContact OD1-NZ 3.78Å; D109-K112 PolarHBondContact OD1-NZ 3.35Å; D109-V113 WeakPolarHBondContact O-CG2 3.39Å; D109-C128 PolarHBondContact N-SG 2.94Å
110	F	96	Very high	95.5	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-70.6	-47.7	171.5	172.2	-103.9	0	0	0	112.2	F52 D106 L107 A108 K112 V113 A114 W399 F436 I438 V456 M458	F52-F110 HydrophobicContact CE2-CD1 4.16Å; F52-F110 AromaticContact CZ-CD1 3.66Å; F52-F110 HydrophobicContact CZ-CD1 3.66Å; F52-F110 AromaticContact CZ-CE1 3.82Å; F52-F110 HydrophobicContact CZ-CE1 3.82Å; D106-F110 PolarHBondContact O-N 3Å; L107-F110 PolarHBondContact O-N 3.17Å; A108-F110 VanDerWaalsContact C-N 3.3Å; A108-F110 PolarHBondContact O-N 3.26Å; F110-K112 PolarHBondContact O-N 3.15Å; F110-V113 PolarHBondContact O-N 3.47Å; F110-V113 VanDerWaalsContact O-N 3.11Å; F110-A114 HydrophobicContact CD2-CB 4.07Å; F110-A114 HydrophobicContact CE1-CB 3.95Å; F110-A114 HydrophobicContact CE2-CB 3.38Å; F110-A114 HydrophobicContact CZ-CB 3.29Å; F110-A114 WeakPolarHBondContact O-CB 3.5Å; F110-A114 PolarHBondContact O-N 2.97Å; F110-W399 AromaticContact CE1-CD2 3.86Å; F110-W399 HydrophobicContact CE1-CD2 3.86Å; F110-W399 AromaticContact CE1-CE2 3.55Å; F110-W399 AromaticContact CE1-CE3 3.95Å; F110-W399 HydrophobicContact CE1-CE3 3.95Å; F110-W399 AromaticContact CE1-CH2 3.5Å; F110-W399 HydrophobicContact CE1-CH2 3.5Å; F110-W399 AromaticContact CE1-CZ2 3.36Å; F110-W399 HydrophobicContact CE1-CZ2 3.36Å; F110-W399 AromaticContact CE1-CZ3 3.81Å; F110-W399 HydrophobicContact CE1-CZ3 3.81Å; F110-W399 HydrophobicContact CE2-CZ2 4.39Å; F110-W399 HydrophobicContact CZ-CD2 4.27Å; F110-W399 AromaticContact CZ-CE2 3.49Å; F110-W399 VanDerWaalsContact CZ-CE2 3.49Å; F110-W399 AromaticContact CZ-CH2 3.73Å; F110-W399 HydrophobicContact CZ-CH2 3.73Å; F110-W399 AromaticContact CZ-CZ2 3.18Å; F110-W399 HydrophobicContact CZ-CZ2 3.18Å; F110-W399 HydrophobicContact CZ-CZ3 4.46Å; F110-W399 AromaticContact CZ-NE1 3.92Å; F110-F436 HydrophobicContact CB-CB 4.3Å; F110-F436 HydrophobicContact CB-CD1 4.09Å; F110-F436 HydrophobicContact CB-CG 4.25Å; F110-F436 HydrophobicContact CD2-CB 4.05Å; F110-F436 AromaticContact CD2-CD1 4Å; F110-F436 HydrophobicContact CD2-CD1 4Å; F110-F436 AromaticContact CD2-CD2 3.62Å; F110-F436 HydrophobicContact CD2-CD2 3.62Å; F110-F436 HydrophobicContact CD2-CE1 4.36Å; F110-F436 HydrophobicContact CD2-CE2 4.02Å; F110-F436 AromaticContact CD2-CG 3.61Å; F110-F436 HydrophobicContact CD2-CG 3.61Å; F110-F436 HydrophobicContact CD2-CZ 4.38Å; F110-F436 HydrophobicContact CE2-CD2 4.09Å; F110-F436 HydrophobicContact CE2-CE2 4.36Å; F110-F436 HydrophobicContact CE2-CG 4.49Å; F110-F436 HydrophobicContact CG-CB 4.44Å; F110-F436 HydrophobicContact CG-CG 4.33Å; F110-I438 HydrophobicContact CB-CD1 3.65Å; F110-I438 HydrophobicContact CD1-CD1 3.98Å; F110-I438 HydrophobicContact CG-CD1 3.88Å; F110-V456 HydrophobicContact CD1-CG2 4.14Å; F110-V456 HydrophobicContact CD2-CB 4.35Å; F110-V456 HydrophobicContact CD2-CG1 4.38Å; F110-V456 HydrophobicContact CD2-CG2 4.39Å; F110-V456 HydrophobicContact CE1-CG1 4.43Å; F110-V456 HydrophobicContact CE1-CG2 4Å; F110-V456 HydrophobicContact CE2-CB 4.1Å; F110-V456 HydrophobicContact CE2-CG1 3.65Å; F110-V456 HydrophobicContact CE2-CG2 4.26Å; F110-V456 HydrophobicContact CG-CG2 4.33Å; F110-V456 HydrophobicContact CZ-CB 4.29Å; F110-V456 HydrophobicContact CZ-CG1 3.7Å; F110-V456 HydrophobicContact CZ-CG2 4.08Å; F110-M458 HydrophobicContact CE2-SD 4.32Å
111	I	97.1	Very high	95.6	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-64.1	-38.9	-174.5	-69.2	-61.2	0	0	0	112.1	L51 F52 F63 L107 A108 V113 A114 H115 A124	L51-I111 HydrophobicContact CD1-CD1 3.84Å; L51-I111 HydrophobicContact CD1-CG1 4.22Å; F52-I111 HydrophobicContact CE2-CD1 3.96Å; F52-I111 HydrophobicContact CE2-CG1 4.28Å; F63-I111 HydrophobicContact CE2-CG2 4.16Å; F63-I111 HydrophobicContact CZ-CB 4.06Å; F63-I111 HydrophobicContact CZ-CG1 4.13Å; F63-I111 HydrophobicContact CZ-CG2 3.74Å; L107-I111 HydrophobicContact CD2-CG1 3.91Å; L107-I111 WeakPolarHBondContact O-CG1 3.49Å; L107-I111 PolarHBondContact O-N 3.39Å; A108-I111 PolarHBondContact O-N 2.88Å; I111-V113 PolarHBondContact O-N 3.04Å; I111-A114 PolarHBondContact O-N 3.34Å; I111-H115 HydrophobicContact CG2-CB 3.89Å; I111-H115 VanDerWaalsContact O-CB 3.27Å; I111-H115 WeakPolarHBondContact O-CB 3.43Å; I111-H115 PolarHBondContact O-N 2.84Å; I111-A124 HydrophobicContact CB-CB 3.97Å; I111-A124 HydrophobicContact CG2-CB 3.71Å
112	K	94.7	Very high	95.6	Very high	73 Å²	73	38.9 Å²	38.9	32%	0.317	21%	0.209	S	C	.	.	H	α-helix	trans	-58.6	-29.3	176.8	82.9	-170.6	-176.5	-176.1	0	112.3	A108 D109 F110 R121 A124 E125	A108-K112 WeakPolarHBondContact O-CB 3.4Å; A108-K112 PolarHBondContact O-N 3.39Å; D109-K112 WeakPolarHBondContact O-CG 3.36Å; D109-K112 WeakPolarHBondContact OD1-CE 3.41Å; D109-K112 IonicContact OD1-NZ 3.78Å; D109-K112 PolarHBondContact OD1-NZ 3.35Å; F110-K112 PolarHBondContact O-N 3.15Å; K112-R121 VanDerWaalsContact O-CD 3.27Å; K112-R121 WeakPolarHBondContact O-CD 3.47Å; K112-R121 WeakPolarHBondContact O-CG 3.47Å; K112-A124 HydrophobicContact CB-CB 4Å; K112-E125 HydrophobicContact CB-CB 4.34Å
113	V	90.8	Very high	95.7	Very high	43 Å²	43	39 Å²	39	26%	0.261	21%	0.212	S	C	.	.	H	α-helix	trans	-89.9	-44.4	-178	178	0	0	0	0	111.6	D109 F110 I111 P430	D109-V113 WeakPolarHBondContact O-CG2 3.39Å; F110-V113 PolarHBondContact O-N 3.47Å; F110-V113 VanDerWaalsContact O-N 3.11Å; I111-V113 PolarHBondContact O-N 3.04Å; V113-P430 HydrophobicContact CG1-CG 3.52Å
114	A	92.6	Very high	95.9	Very high	2 Å²	2	36 Å²	36	2%	0.017	20%	0.199	C	C	.	.	H	α-helix	trans	-103.3	-22.6	-163.1	0	0	0	0	0	114.9	F110 I111 R426 M458	F110-A114 HydrophobicContact CD2-CB 4.07Å; F110-A114 HydrophobicContact CE1-CB 3.95Å; F110-A114 HydrophobicContact CE2-CB 3.38Å; F110-A114 HydrophobicContact CZ-CB 3.29Å; F110-A114 WeakPolarHBondContact O-CB 3.5Å; F110-A114 PolarHBondContact O-N 2.97Å; I111-A114 PolarHBondContact O-N 3.34Å; A114-R426 PolarHBondContact O-NE 3.21Å; A114-R426 PolarHBondContact O-NH2 3.37Å; A114-M458 HydrophobicContact CB-SD 4.21Å
115	H	95.7	Very high	95.9	Very high	15 Å²	15	40 Å²	40	7%	0.069	22%	0.216	C	C	.	.			trans	-69	133	-171.2	-162.7	-77.3	0	0	0	111.8	I111 D117 Y120 R121 W399	I111-H115 HydrophobicContact CG2-CB 3.89Å; I111-H115 VanDerWaalsContact O-CB 3.27Å; I111-H115 WeakPolarHBondContact O-CB 3.43Å; I111-H115 PolarHBondContact O-N 2.84Å; H115-D117 VanDerWaalsContact C-N 3.35Å; H115-D117 VanDerWaalsContact CE1-CB 3.43Å; H115-D117 WeakPolarHBondContact CE1-CB 3.33Å; H115-D117 WeakPolarHBondContact ND1-CB 3.45Å; H115-D117 PolarHBondContact ND1-N 3.39Å; H115-D117 PolarHBondContact ND1-O 3.42Å; H115-D117 PolarHBondContact O-N 3.46Å; H115-Y120 AromaticContact CD2-CG 3.9Å; H115-Y120 AromaticContact CE1-CD2 3.29Å; H115-Y120 WeakPolarHBondContact CE1-CD2 3.32Å; H115-Y120 AromaticContact CE1-CE2 3.87Å; H115-Y120 AromaticContact CE1-CG 3.43Å; H115-Y120 VanDerWaalsContact CE1-CG 3.43Å; H115-Y120 VanDerWaalsContact CG-CB 3.5Å; H115-Y120 AromaticContact CG-CG 3.97Å; H115-Y120 VanDerWaalsContact ND1-CB 3.34Å; H115-Y120 WeakPolarHBondContact ND1-CB 3.38Å; H115-Y120 AromaticContact ND1-CD2 3.82Å; H115-Y120 AromaticContact ND1-CG 3.67Å; H115-Y120 AromaticContact NE2-CD1 3.84Å; H115-Y120 AromaticContact NE2-CD2 3.77Å; H115-Y120 AromaticContact NE2-CG 3.6Å; H115-R121 HydrophobicContact CB-CG 4.05Å; H115-R121 WeakPolarHBondContact O-CD 3.23Å; H115-R121 WeakPolarHBondContact O-CG 3.37Å; H115-W399 WeakPolarHBondContact CD2-CB 3.45Å
116	P	94.7	Very high	95.8	Very high	59 Å²	59	44.3 Å²	44.3	38%	0.383	23%	0.231	S	C	.	.	S	Bend	trans	-71	-28.4	-177.2	27.6	-35	0	0	0	113.5	P118 W399	P116-P118 WeakPolarHBondContact O-CD 3.38Å; P116-W399 WeakPolarHBondContact CD-O 3.38Å; P116-W399 VanDerWaalsContact CG-O 3.3Å; P116-W399 WeakPolarHBondContact CG-O 3.32Å
117	D	95.8	Very high	95.9	Very high	68 Å²	68	43.1 Å²	43.1	36%	0.364	22%	0.224	S	C	.	.	S	Bend	trans	-81.7	121	175.4	-171.7	-21.4	0	0	0	111.2	H115 A119 Y120 R121	H115-D117 VanDerWaalsContact C-N 3.35Å; H115-D117 VanDerWaalsContact CE1-CB 3.43Å; H115-D117 WeakPolarHBondContact CE1-CB 3.33Å; H115-D117 WeakPolarHBondContact ND1-CB 3.45Å; H115-D117 PolarHBondContact ND1-N 3.39Å; H115-D117 PolarHBondContact ND1-O 3.42Å; H115-D117 PolarHBondContact O-N 3.46Å; D117-A119 VanDerWaalsContact C-N 3.28Å; D117-A119 PolarHBondContact O-N 3.36Å; D117-A119 WeakPolarHBondContact OD1-CB 3.43Å; D117-A119 PolarHBondContact OD1-N 3.42Å; D117-Y120 HydrophobicContact CB-CD2 3.85Å; D117-Y120 PolarHBondContact O-N 2.94Å; D117-R121 PolarHBondContact O-N 3.11Å
118	P	95.9	Very high	95.7	Very high	61 Å²	61	43.9 Å²	43.9	40%	0.396	23%	0.23	S	C	.	.	H	α-helix	trans	-56.2	-34.7	175.4	-23.8	33.8	0	0	0	114.6	P116 Y120 R121 E122	P116-P118 WeakPolarHBondContact O-CD 3.38Å; P118-Y120 VanDerWaalsContact C-N 3.31Å; P118-Y120 PolarHBondContact O-N 3.02Å; P118-R121 WeakPolarHBondContact O-CB 3.43Å; P118-R121 PolarHBondContact O-N 2.93Å; P118-E122 WeakPolarHBondContact O-CG 3.48Å; P118-E122 PolarHBondContact O-N 3.19Å
119	A	97.9	Very high	95.3	Very high	42 Å²	42	48.6 Å²	48.6	35%	0.347	25%	0.254	S	S	.	.	H	α-helix	trans	-63.6	-38.9	-177.8	0	0	0	0	0	111.9	P60 D117 A123	P60-A119 HydrophobicContact CB-CB 4.39Å; P60-A119 HydrophobicContact CG-CB 3.92Å; D117-A119 VanDerWaalsContact C-N 3.28Å; D117-A119 PolarHBondContact O-N 3.36Å; D117-A119 WeakPolarHBondContact OD1-CB 3.43Å; D117-A119 PolarHBondContact OD1-N 3.42Å; A119-A123 WeakPolarHBondContact O-CB 3.43Å; A119-A123 PolarHBondContact O-N 3.23Å; A119-A123 VanDerWaalsContact O-N 3.08Å
120	Y	97.8	Very high	95.2	Very high	32 Å²	32	48.5 Å²	48.5	13%	0.125	25%	0.254	C	S	.	.	H	α-helix	trans	-65.8	-40.3	172.3	-83.1	-93.6	0	0	0	111.9	L51 S58 C59 P60 F63 H115 D117 P118 A124	L51-Y120 HydrophobicContact CD1-CD1 3.71Å; L51-Y120 HydrophobicContact CD1-CE1 3.65Å; L51-Y120 HydrophobicContact CG-CE1 4.38Å; S58-Y120 PolarHBondContact O-OH 2.76Å; C59-Y120 WeakPolarHBondContact CA-OH 3.46Å; P60-Y120 HydrophobicContact CG-CD2 3.69Å; P60-Y120 HydrophobicContact CG-CE2 3.73Å; P60-Y120 HydrophobicContact CG-CG 4.12Å; F63-Y120 AromaticContact CE2-CD1 3.99Å; F63-Y120 HydrophobicContact CE2-CD1 3.99Å; H115-Y120 AromaticContact CD2-CG 3.9Å; H115-Y120 AromaticContact CE1-CD2 3.29Å; H115-Y120 WeakPolarHBondContact CE1-CD2 3.32Å; H115-Y120 AromaticContact CE1-CE2 3.87Å; H115-Y120 AromaticContact CE1-CG 3.43Å; H115-Y120 VanDerWaalsContact CE1-CG 3.43Å; H115-Y120 VanDerWaalsContact CG-CB 3.5Å; H115-Y120 AromaticContact CG-CG 3.97Å; H115-Y120 VanDerWaalsContact ND1-CB 3.34Å; H115-Y120 WeakPolarHBondContact ND1-CB 3.38Å; H115-Y120 AromaticContact ND1-CD2 3.82Å; H115-Y120 AromaticContact ND1-CG 3.67Å; H115-Y120 AromaticContact NE2-CD1 3.84Å; H115-Y120 AromaticContact NE2-CD2 3.77Å; H115-Y120 AromaticContact NE2-CG 3.6Å; D117-Y120 HydrophobicContact CB-CD2 3.85Å; D117-Y120 PolarHBondContact O-N 2.94Å; P118-Y120 VanDerWaalsContact C-N 3.31Å; P118-Y120 PolarHBondContact O-N 3.02Å; Y120-A124 VanDerWaalsContact O-CB 3.23Å; Y120-A124 WeakPolarHBondContact O-CB 3.23Å; Y120-A124 PolarHBondContact O-N 3.09Å
121	R	96.3	Very high	95.1	Very high	62 Å²	62	48.6 Å²	48.6	23%	0.234	25%	0.254	C	S	.	.	H	α-helix	trans	-64.6	-46	179.4	-67.3	-168.1	-68.3	-169.3	-0.2	111.9	K112 H115 D117 P118 A124 E125	K112-R121 VanDerWaalsContact O-CD 3.27Å; K112-R121 WeakPolarHBondContact O-CD 3.47Å; K112-R121 WeakPolarHBondContact O-CG 3.47Å; H115-R121 HydrophobicContact CB-CG 4.05Å; H115-R121 WeakPolarHBondContact O-CD 3.23Å; H115-R121 WeakPolarHBondContact O-CG 3.37Å; D117-R121 PolarHBondContact O-N 3.11Å; P118-R121 WeakPolarHBondContact O-CB 3.43Å; P118-R121 PolarHBondContact O-N 2.93Å; R121-A124 PolarHBondContact O-N 3.34Å; R121-E125 WeakPolarHBondContact O-CB 3.41Å; R121-E125 PolarHBondContact O-N 2.91Å
122	E	96.6	Very high	94.7	Very high	128 Å²	128	50.2 Å²	50.2	60%	0.598	27%	0.271	S	S	*	.	H	α-helix	trans	-63.8	-42.9	178.3	-70.4	172	-164.7	0	0	111.8	P118 E125 K126	P118-E122 WeakPolarHBondContact O-CG 3.48Å; P118-E122 PolarHBondContact O-N 3.19Å; E122-E125 PolarHBondContact O-N 3.01Å; E122-K126 PolarHBondContact O-N 3.24Å
123	A	98.1	Very high	94.4	Very high	23 Å²	23	49.9 Å²	49.9	19%	0.19	28%	0.275	C	S	.	.	H	α-helix	trans	-64.7	-39.6	176.5	0	0	0	0	0	112.5	P60 F63 A119 T127	P60-A123 HydrophobicContact CB-CB 4.11Å; P60-A123 WeakPolarHBondContact O-CB 3.42Å; F63-A123 HydrophobicContact CB-CB 4.18Å; F63-A123 HydrophobicContact CD2-CB 4.14Å; F63-A123 HydrophobicContact CG-CB 4.37Å; A119-A123 WeakPolarHBondContact O-CB 3.43Å; A119-A123 PolarHBondContact O-N 3.23Å; A119-A123 VanDerWaalsContact O-N 3.08Å; A123-T127 PolarHBondContact O-N 3.34Å; A123-T127 VanDerWaalsContact O-N 3.09Å; A123-T127 PolarHBondContact O-OG1 3.47Å
124	A	97.5	Very high	94.4	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-68.7	-41.9	175.8	0	0	0	0	0	112	F63 A108 I111 K112 Y120 R121 K126 T127 C128	F63-A124 HydrophobicContact CD1-CB 4.33Å; F63-A124 HydrophobicContact CE1-CB 3.98Å; F63-A124 HydrophobicContact CZ-CB 4.13Å; A108-A124 HydrophobicContact CB-CB 4.11Å; A108-A124 WeakPolarHBondContact O-CB 3.26Å; I111-A124 HydrophobicContact CB-CB 3.97Å; I111-A124 HydrophobicContact CG2-CB 3.71Å; K112-A124 HydrophobicContact CB-CB 4Å; Y120-A124 VanDerWaalsContact O-CB 3.23Å; Y120-A124 WeakPolarHBondContact O-CB 3.23Å; Y120-A124 PolarHBondContact O-N 3.09Å; R121-A124 PolarHBondContact O-N 3.34Å; A124-K126 PolarHBondContact O-N 2.96Å; A124-T127 WeakPolarHBondContact O-CB 3.43Å; A124-T127 PolarHBondContact O-N 3.47Å; A124-T127 VanDerWaalsContact O-N 3.11Å; A124-C128 PolarHBondContact O-N 2.9Å; A124-C128 PolarHBondContact O-SG 2.94Å; A124-C128 VanDerWaalsContact O-SG 3.39Å
125	E	94.9	Very high	94.3	Very high	106 Å²	106	51.1 Å²	51.1	50%	0.495	28%	0.283	S	S	.	.	H	α-helix	trans	-58.2	-47.8	174.8	-179.4	173	-163	0	0	111.5	K112 R121 E122 T127 C128 I129	K112-E125 HydrophobicContact CB-CB 4.34Å; R121-E125 WeakPolarHBondContact O-CB 3.41Å; R121-E125 PolarHBondContact O-N 2.91Å; E122-E125 PolarHBondContact O-N 3.01Å; E125-T127 VanDerWaalsContact C-N 3.27Å; E125-T127 PolarHBondContact O-N 3.31Å; E125-C128 WeakPolarHBondContact O-CB 3.24Å; E125-C128 PolarHBondContact O-N 3.27Å; E125-I129 HydrophobicContact CG-CD1 4.31Å; E125-I129 WeakPolarHBondContact O-CG1 3.33Å; E125-I129 PolarHBondContact O-N 2.81Å; E125-I129 VanDerWaalsContact O-N 3.09Å
126	K	95.3	Very high	93.8	Very high	114 Å²	114	54.4 Å²	54.4	50%	0.496	30%	0.298	S	S	.	.	H	α-helix	trans	-57.9	-41.5	174.5	-175.2	-179.6	177.3	-175.4	0	112	E122 A124 I129 D130	E122-K126 PolarHBondContact O-N 3.24Å; A124-K126 PolarHBondContact O-N 2.96Å; K126-I129 PolarHBondContact O-N 3.09Å; K126-D130 PolarHBondContact O-N 2.86Å
127	T	96.8	Very high	93.4	Very high	4 Å²	4	57.9 Å²	57.9	3%	0.025	31%	0.307	C	S	.	.	H	α-helix	trans	-62	-43.4	177.2	-63.3	0	0	0	0	112.1	F63 T67 V104 A108 A123 A124 E125 I129 D130 I131	F63-T127 WeakPolarHBondContact CB-OG1 3.29Å; F63-T127 HydrophobicContact CD1-CG2 4.35Å; T67-T127 VanDerWaalsContact OG1-CG2 3.27Å; T67-T127 WeakPolarHBondContact OG1-CG2 3.45Å; T67-T127 PolarHBondContact OG1-OG1 3.3Å; V104-T127 HydrophobicContact CG1-CG2 3.46Å; V104-T127 VanDerWaalsContact CG1-CG2 3.46Å; A108-T127 HydrophobicContact CB-CG2 3.79Å; A123-T127 PolarHBondContact O-N 3.34Å; A123-T127 VanDerWaalsContact O-N 3.09Å; A123-T127 PolarHBondContact O-OG1 3.47Å; A124-T127 WeakPolarHBondContact O-CB 3.43Å; A124-T127 PolarHBondContact O-N 3.47Å; A124-T127 VanDerWaalsContact O-N 3.11Å; E125-T127 VanDerWaalsContact C-N 3.27Å; E125-T127 PolarHBondContact O-N 3.31Å; T127-I129 VanDerWaalsContact C-N 3.3Å; T127-I129 PolarHBondContact O-N 3.12Å; T127-D130 PolarHBondContact O-N 3.39Å; T127-I131 HydrophobicContact CG2-CG1 4.25Å; T127-I131 WeakPolarHBondContact O-CB 3.34Å; T127-I131 WeakPolarHBondContact O-CG1 3.48Å; T127-I131 PolarHBondContact O-N 2.92Å
128	C	93.8	Very high	93.2	Very high	25 Å²	25	55.5 Å²	55.5	17%	0.169	29%	0.294	C	S	.	.	H	α-helix	trans	-59	-42.5	174.8	-67.2	0	0	0	0	111.6	D109 A124 E125 G132	D109-C128 PolarHBondContact N-SG 2.94Å; A124-C128 PolarHBondContact O-N 2.9Å; A124-C128 PolarHBondContact O-SG 2.94Å; A124-C128 VanDerWaalsContact O-SG 3.39Å; E125-C128 WeakPolarHBondContact O-CB 3.24Å; E125-C128 PolarHBondContact O-N 3.27Å; C128-G132 PolarHBondContact O-N 3.43Å
129	I	89.3	Confident	92.9	Very high	98 Å²	98	54.2 Å²	54.2	50%	0.503	28%	0.284	S	S	.	.	H	α-helix	trans	-64.3	-48.4	177.7	-65.2	166	0	0	0	111	E125 K126 T127 G132 T133	E125-I129 HydrophobicContact CG-CD1 4.31Å; E125-I129 WeakPolarHBondContact O-CG1 3.33Å; E125-I129 PolarHBondContact O-N 2.81Å; E125-I129 VanDerWaalsContact O-N 3.09Å; K126-I129 PolarHBondContact O-N 3.09Å; T127-I129 VanDerWaalsContact C-N 3.3Å; T127-I129 PolarHBondContact O-N 3.12Å; I129-G132 PolarHBondContact O-N 3.01Å; I129-T133 WeakPolarHBondContact O-CB 3.5Å; I129-T133 PolarHBondContact O-N 3.46Å; I129-T133 PolarHBondContact O-OG1 3.04Å
130	D	91.8	Very high	92.4	Very high	64 Å²	64	53.9 Å²	53.9	34%	0.342	28%	0.277	S	S	.	.	H	α-helix	trans	-64	-47.5	-177.3	-74	-17.5	0	0	0	111.5	T67 K126 T127 T133 V134	T67-D130 HydrophobicContact CG2-CB 4.08Å; K126-D130 PolarHBondContact O-N 2.86Å; T127-D130 PolarHBondContact O-N 3.39Å; D130-T133 PolarHBondContact O-N 2.86Å; D130-V134 WeakPolarHBondContact O-CG2 3.38Å; D130-V134 PolarHBondContact O-N 3.2Å
131	I	93.9	Very high	92	Very high	1 Å²	1	54.7 Å²	54.7	1%	0.005	28%	0.284	C	S	.	.	H	α-helix	trans	-67.7	-43.4	177.7	-64.1	-67.8	0	0	0	111.2	T67 A70 L71 L101 V104 A105 T127 T133 V134 V135	T67-I131 HydrophobicContact CG2-CD1 4.03Å; T67-I131 HydrophobicContact CG2-CG1 4.35Å; A70-I131 HydrophobicContact CB-CD1 4.34Å; L71-I131 HydrophobicContact CD2-CD1 4.19Å; L101-I131 HydrophobicContact CB-CG2 4.07Å; L101-I131 HydrophobicContact CD2-CD1 3.89Å; L101-I131 HydrophobicContact CD2-CG2 4.14Å; V104-I131 HydrophobicContact CG1-CD1 4.43Å; V104-I131 HydrophobicContact CG1-CG1 4.19Å; A105-I131 HydrophobicContact CB-CB 4.41Å; A105-I131 HydrophobicContact CB-CG2 3.82Å; T127-I131 HydrophobicContact CG2-CG1 4.25Å; T127-I131 WeakPolarHBondContact O-CB 3.34Å; T127-I131 WeakPolarHBondContact O-CG1 3.48Å; T127-I131 PolarHBondContact O-N 2.92Å; I131-T133 VanDerWaalsContact C-N 3.28Å; I131-T133 PolarHBondContact O-N 2.8Å; I131-V134 PolarHBondContact O-N 3.38Å; I131-V135 HydrophobicContact CG2-CG2 4.32Å; I131-V135 WeakPolarHBondContact O-CG2 3.27Å; I131-V135 PolarHBondContact O-N 3.09Å
132	G	89.3	Confident	91.7	Very high	34 Å²	34	55.1 Å²	55.1	35%	0.351	29%	0.293	S	S	.	.	H	α-helix	trans	-57	-42.4	176.7	0	0	0	0	0	112.1	C128 I129 V134 V135 E136	C128-G132 PolarHBondContact O-N 3.43Å; I129-G132 PolarHBondContact O-N 3.01Å; G132-V134 VanDerWaalsContact C-N 3.26Å; G132-V134 PolarHBondContact O-N 3.32Å; G132-V135 PolarHBondContact O-N 3.14Å; G132-E136 WeakPolarHBondContact O-CG 3.49Å; G132-E136 PolarHBondContact O-N 3.17Å
133	T	87.4	Confident	91.3	Very high	67 Å²	67	54 Å²	54	41%	0.411	29%	0.288	S	S	.	.	H	α-helix	trans	-58.9	-37.6	174.8	-60.8	0	0	0	0	112.3	I129 D130 I131 K137	I129-T133 WeakPolarHBondContact O-CB 3.5Å; I129-T133 PolarHBondContact O-N 3.46Å; I129-T133 PolarHBondContact O-OG1 3.04Å; D130-T133 PolarHBondContact O-N 2.86Å; I131-T133 VanDerWaalsContact C-N 3.28Å; I131-T133 PolarHBondContact O-N 2.8Å; T133-K137 WeakPolarHBondContact O-CG 3.45Å; T133-K137 PolarHBondContact O-N 2.92Å
134	V	91.3	Very high	91.1	Very high	24 Å²	24	53.1 Å²	53.1	15%	0.145	28%	0.28	C	S	.	.	H	α-helix	trans	-73.6	-41.7	178.2	171.7	0	0	0	0	111.3	L71 T74 L101 D130 I131 G132 E136 K137 L138	L71-V134 HydrophobicContact CD1-CG2 4.49Å; L71-V134 HydrophobicContact CD2-CB 3.89Å; L71-V134 HydrophobicContact CD2-CG1 3.82Å; L71-V134 HydrophobicContact CD2-CG2 3.36Å; T74-V134 HydrophobicContact CG2-CG1 4.31Å; L101-V134 HydrophobicContact CD1-CG1 4.46Å; L101-V134 HydrophobicContact CD2-CG1 4.35Å; D130-V134 WeakPolarHBondContact O-CG2 3.38Å; D130-V134 PolarHBondContact O-N 3.2Å; I131-V134 PolarHBondContact O-N 3.38Å; G132-V134 VanDerWaalsContact C-N 3.26Å; G132-V134 PolarHBondContact O-N 3.32Å; V134-E136 VanDerWaalsContact C-N 3.31Å; V134-E136 PolarHBondContact O-N 3.13Å; V134-K137 WeakPolarHBondContact O-CB 3.29Å; V134-K137 PolarHBondContact O-N 3.07Å; V134-K137 VanDerWaalsContact O-N 3.12Å; V134-L138 HydrophobicContact CG1-CD1 4.17Å; V134-L138 HydrophobicContact CG1-CG 4.34Å; V134-L138 WeakPolarHBondContact O-CG 3.33Å; V134-L138 PolarHBondContact O-N 2.78Å
135	V	90.8	Very high	90.8	Very high	47 Å²	47	53.9 Å²	53.9	29%	0.285	29%	0.285	S	S	.	.	H	α-helix	trans	-56.8	-45	174.9	172.4	0	0	0	0	111	L101 I131 G132 K137 L138 N139	L101-V135 HydrophobicContact CD1-CG2 4Å; I131-V135 HydrophobicContact CG2-CG2 4.32Å; I131-V135 WeakPolarHBondContact O-CG2 3.27Å; I131-V135 PolarHBondContact O-N 3.09Å; G132-V135 PolarHBondContact O-N 3.14Å; V135-K137 VanDerWaalsContact C-N 3.33Å; V135-K137 PolarHBondContact O-N 2.83Å; V135-L138 WeakPolarHBondContact O-CB 3.42Å; V135-L138 PolarHBondContact O-N 2.66Å; V135-L138 VanDerWaalsContact O-N 3.11Å; V135-N139 WeakPolarHBondContact O-CB 3.28Å; V135-N139 PolarHBondContact O-N 3.49Å
136	E	84.4	Confident	90.6	Very high	83 Å²	83	54 Å²	54	39%	0.388	28%	0.284	S	S	.	.	H	α-helix	trans	-61.9	-38.5	176.5	-69.6	-59.5	141	0	0	112.8	G132 V134 L138 N139 T140	G132-E136 WeakPolarHBondContact O-CG 3.49Å; G132-E136 PolarHBondContact O-N 3.17Å; V134-E136 VanDerWaalsContact C-N 3.31Å; V134-E136 PolarHBondContact O-N 3.13Å; E136-L138 VanDerWaalsContact C-N 3.34Å; E136-N139 PolarHBondContact O-N 3.11Å; E136-T140 PolarHBondContact O-N 2.81Å; E136-T140 PolarHBondContact O-OG1 3.13Å
137	K	87.6	Confident	90.4	Very high	133 Å²	133	49.4 Å²	49.4	58%	0.578	27%	0.269	S	S	*	.	H	α-helix	trans	-64.9	-38.4	173.3	-72.1	172.8	-176.9	174	0	112.1	T133 V134 V135 T140 N141	T133-K137 WeakPolarHBondContact O-CG 3.45Å; T133-K137 PolarHBondContact O-N 2.92Å; V134-K137 WeakPolarHBondContact O-CB 3.29Å; V134-K137 PolarHBondContact O-N 3.07Å; V134-K137 VanDerWaalsContact O-N 3.12Å; V135-K137 VanDerWaalsContact C-N 3.33Å; V135-K137 PolarHBondContact O-N 2.83Å; K137-T140 PolarHBondContact O-N 2.76Å; K137-T140 PolarHBondContact O-OG1 2.97Å; K137-N141 PolarHBondContact O-N 2.74Å
138	L	91.3	Very high	90.2	Very high	18 Å²	18	49.2 Å²	49.2	9%	0.094	27%	0.268	C	S	.	.	H	α-helix	trans	-67.5	-45.7	177.4	-67.8	175.7	0	0	0	111	T74 L78 L101 V134 V135 E136 T140 N141 L144 F176	T74-L138 HydrophobicContact CG2-CD1 3.99Å; T74-L138 HydrophobicContact CG2-CD2 4.21Å; L78-L138 HydrophobicContact CD1-CD2 3.86Å; L78-L138 HydrophobicContact CD2-CD2 3.49Å; L78-L138 VanDerWaalsContact CD2-CD2 3.49Å; L78-L138 HydrophobicContact CG-CD2 3.97Å; L101-L138 HydrophobicContact CD1-CD1 3.45Å; L101-L138 VanDerWaalsContact CD1-CD1 3.45Å; V134-L138 HydrophobicContact CG1-CD1 4.17Å; V134-L138 HydrophobicContact CG1-CG 4.34Å; V134-L138 WeakPolarHBondContact O-CG 3.33Å; V134-L138 PolarHBondContact O-N 2.78Å; V135-L138 WeakPolarHBondContact O-CB 3.42Å; V135-L138 PolarHBondContact O-N 2.66Å; V135-L138 VanDerWaalsContact O-N 3.11Å; E136-L138 VanDerWaalsContact C-N 3.34Å; L138-T140 PolarHBondContact O-N 2.92Å; L138-T140 VanDerWaalsContact O-N 3.14Å; L138-N141 VanDerWaalsContact O-CB 3.23Å; L138-N141 WeakPolarHBondContact O-CB 3.5Å; L138-N141 PolarHBondContact O-N 3.3Å; L138-L144 HydrophobicContact CD2-CD1 3.99Å; L138-F176 VanDerWaalsContact O-CE1 3.23Å; L138-F176 WeakPolarHBondContact O-CE1 3.27Å
139	N	89.3	Confident	90.1	Very high	34 Å²	34	53.1 Å²	53.1	18%	0.182	28%	0.282	C	S	.	.	H	α-helix	trans	-65.9	-13.7	178	-70.7	-12.7	0	0	0	113.6	V135 E136 F176 S179	V135-N139 WeakPolarHBondContact O-CB 3.28Å; V135-N139 PolarHBondContact O-N 3.49Å; E136-N139 PolarHBondContact O-N 3.11Å; N139-F176 WeakPolarHBondContact O-CD1 3.36Å; N139-S179 WeakPolarHBondContact CB-OG 3.28Å
140	T	86.8	Confident	90.2	Very high	34 Å²	34	52.2 Å²	52.2	21%	0.209	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.8	11.9	174.5	55.2	0	0	0	0	113.1	E136 K137 L138 I181 V192	E136-T140 PolarHBondContact O-N 2.81Å; E136-T140 PolarHBondContact O-OG1 3.13Å; K137-T140 PolarHBondContact O-N 2.76Å; K137-T140 PolarHBondContact O-OG1 2.97Å; L138-T140 PolarHBondContact O-N 2.92Å; L138-T140 VanDerWaalsContact O-N 3.14Å; T140-I181 WeakPolarHBondContact O-CD1 3.3Å; T140-V192 HydrophobicContact CG2-CG2 4.36Å
141	N	89.9	Confident	90.3	Very high	50 Å²	50	49.2 Å²	49.2	27%	0.267	26%	0.262	S	S	.	.			trans	-82	117.3	178.6	-171.6	-56.6	0	0	0	111.9	K137 L138 E143 L144 C145	K137-N141 PolarHBondContact O-N 2.74Å; L138-N141 VanDerWaalsContact O-CB 3.23Å; L138-N141 WeakPolarHBondContact O-CB 3.5Å; L138-N141 PolarHBondContact O-N 3.3Å; N141-E143 PolarHBondContact OD1-N 3.02Å; N141-L144 HydrophobicContact CB-CB 4.14Å; N141-L144 HydrophobicContact CB-CD1 3.95Å; N141-L144 HydrophobicContact CB-CG 4.16Å; N141-L144 PolarHBondContact OD1-N 3.07Å; N141-L144 VanDerWaalsContact OD1-N 3.09Å; N141-C145 PolarHBondContact O-N 3.5Å; N141-C145 VanDerWaalsContact O-N 3.14Å
142	V	88.9	Confident	90.3	Very high	71 Å²	71	51.1 Å²	51.1	43%	0.43	27%	0.272	S	S	.	.	H	α-helix	trans	-67.2	-39.6	-175.5	177.8	0	0	0	0	112.7	C145 K146 I181	V142-C145 PolarHBondContact O-N 3.26Å; V142-K146 VanDerWaalsContact O-CB 3.28Å; V142-K146 WeakPolarHBondContact O-CB 3.47Å; V142-K146 PolarHBondContact O-N 2.98Å; V142-I181 HydrophobicContact CG2-CD1 4.01Å
143	E	90	Very high	90.6	Very high	105 Å²	105	55.1 Å²	55.1	49%	0.491	29%	0.285	S	S	.	.	H	α-helix	trans	-70.8	-40	-177.2	-65.5	-55.1	129.1	0	0	111.5	N141 K146 G147	N141-E143 PolarHBondContact OD1-N 3.02Å; E143-K146 PolarHBondContact O-N 3.41Å; E143-G147 PolarHBondContact O-N 2.84Å
144	L	92.1	Very high	90.9	Very high	3 Å²	3	55 Å²	55	2%	0.016	28%	0.283	C	S	.	.	H	α-helix	trans	-59.8	-51.2	172.1	-75.7	-177.8	0	0	0	111.4	L78 A81 F94 L138 N141 K146 G147 L148 F176	L78-L144 HydrophobicContact CD2-CD1 3.44Å; L78-L144 VanDerWaalsContact CD2-CD1 3.44Å; L78-L144 HydrophobicContact CD2-CD2 3.82Å; L78-L144 HydrophobicContact CD2-CG 3.83Å; A81-L144 HydrophobicContact CB-CD2 3.6Å; F94-L144 HydrophobicContact CE1-CB 4.2Å; F94-L144 HydrophobicContact CE1-CD2 4.42Å; F94-L144 HydrophobicContact CE2-CD2 4.03Å; F94-L144 HydrophobicContact CZ-CB 3.76Å; F94-L144 HydrophobicContact CZ-CD2 3.75Å; F94-L144 HydrophobicContact CZ-CG 4.26Å; F94-L144 WeakPolarHBondContact CZ-O 3.36Å; L138-L144 HydrophobicContact CD2-CD1 3.99Å; N141-L144 HydrophobicContact CB-CB 4.14Å; N141-L144 HydrophobicContact CB-CD1 3.95Å; N141-L144 HydrophobicContact CB-CG 4.16Å; N141-L144 PolarHBondContact OD1-N 3.07Å; N141-L144 VanDerWaalsContact OD1-N 3.09Å; L144-K146 VanDerWaalsContact C-N 3.27Å; L144-K146 PolarHBondContact O-N 3.33Å; L144-G147 PolarHBondContact O-N 2.85Å; L144-G147 VanDerWaalsContact O-N 3.14Å; L144-L148 PolarHBondContact O-N 2.83Å; L144-L148 VanDerWaalsContact O-N 3.09Å; L144-F176 HydrophobicContact CB-CE1 4.19Å; L144-F176 HydrophobicContact CB-CZ 3.74Å
145	C	92.9	Very high	91.1	Very high	16 Å²	16	57.7 Å²	57.7	11%	0.108	31%	0.307	C	S	.	.	H	α-helix	trans	-57.5	-42.7	177.9	172.8	0	0	0	0	111.5	N141 V142 G147 L148 K149 F176 I181	N141-C145 PolarHBondContact O-N 3.5Å; N141-C145 VanDerWaalsContact O-N 3.14Å; V142-C145 PolarHBondContact O-N 3.26Å; C145-G147 PolarHBondContact O-N 2.86Å; C145-L148 PolarHBondContact O-N 2.82Å; C145-K149 VanDerWaalsContact O-CB 3.28Å; C145-K149 WeakPolarHBondContact O-CB 3.49Å; C145-K149 PolarHBondContact O-N 2.82Å; C145-F176 HydrophobicContact CB-CD1 3.75Å; C145-F176 HydrophobicContact CB-CD2 4.32Å; C145-F176 HydrophobicContact CB-CE1 3.95Å; C145-F176 HydrophobicContact CB-CG 3.99Å; C145-F176 HydrophobicContact CB-CZ 4.35Å; C145-I181 HydrophobicContact CB-CG1 3.78Å; C145-I181 HydrophobicContact CB-CG2 4.5Å
146	K	89.9	Confident	91.3	Very high	109 Å²	109	63.3 Å²	63.3	47%	0.474	33%	0.328	S	S	.	.	H	α-helix	trans	-62.5	-42	177	-174.6	-178.9	177	-172.4	0	112.2	V142 E143 L144 K149 N150	V142-K146 VanDerWaalsContact O-CB 3.28Å; V142-K146 WeakPolarHBondContact O-CB 3.47Å; V142-K146 PolarHBondContact O-N 2.98Å; E143-K146 PolarHBondContact O-N 3.41Å; L144-K146 VanDerWaalsContact C-N 3.27Å; L144-K146 PolarHBondContact O-N 3.33Å; K146-K149 PolarHBondContact O-N 2.79Å; K146-N150 WeakPolarHBondContact O-CB 3.29Å; K146-N150 PolarHBondContact O-N 3.38Å; K146-N150 PolarHBondContact O-ND2 3.19Å; K146-N150 PolarHBondContact O-OD1 3.42Å
147	G	90	Very high	91.7	Very high	17 Å²	17	60.3 Å²	60.3	18%	0.175	32%	0.315	C	S	.	.	H	α-helix	trans	-57.3	-49	175.3	0	0	0	0	0	112	E143 L144 C145 N150 L151	E143-G147 PolarHBondContact O-N 2.84Å; L144-G147 PolarHBondContact O-N 2.85Å; L144-G147 VanDerWaalsContact O-N 3.14Å; C145-G147 PolarHBondContact O-N 2.86Å; G147-N150 PolarHBondContact O-N 3.06Å; G147-L151 PolarHBondContact O-N 2.74Å
148	L	92.7	Very high	92	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-67.9	-36.4	178.4	-168.2	62.2	0	0	0	112.6	F94 L144 C145 L151 L152 A169 F172 M173 F176	F94-L148 HydrophobicContact CE1-CD2 4.49Å; F94-L148 HydrophobicContact CZ-CB 4.32Å; L144-L148 PolarHBondContact O-N 2.83Å; L144-L148 VanDerWaalsContact O-N 3.09Å; C145-L148 PolarHBondContact O-N 2.82Å; L148-L151 WeakPolarHBondContact O-CB 3.45Å; L148-L151 PolarHBondContact O-N 2.9Å; L148-L152 HydrophobicContact CG-CD1 4.37Å; L148-L152 WeakPolarHBondContact O-CG 3.47Å; L148-L152 PolarHBondContact O-N 3.31Å; L148-A169 HydrophobicContact CD1-CB 3.94Å; L148-A169 WeakPolarHBondContact CD2-O 3.48Å; L148-F172 HydrophobicContact CD2-CB 3.53Å; L148-M173 HydrophobicContact CB-CE 3.85Å; L148-M173 HydrophobicContact CD2-CB 3.95Å; L148-M173 HydrophobicContact CD2-CE 4.08Å; L148-M173 VanDerWaalsContact CD2-N 3.34Å; L148-M173 HydrophobicContact CG-CE 3.85Å; L148-F176 HydrophobicContact CD2-CD2 4.27Å; L148-F176 HydrophobicContact CD2-CE2 4.14Å
149	K	92.5	Very high	92.2	Very high	107 Å²	107	58.3 Å²	58.3	47%	0.465	32%	0.323	S	S	.	.	H	α-helix	trans	-65.4	-43.3	175.7	-176.7	164.8	-176.5	160.5	0	111.9	C145 K146 L151 L152 D153 M173	C145-K149 VanDerWaalsContact O-CB 3.28Å; C145-K149 WeakPolarHBondContact O-CB 3.49Å; C145-K149 PolarHBondContact O-N 2.82Å; K146-K149 PolarHBondContact O-N 2.79Å; K149-L151 PolarHBondContact O-N 2.71Å; K149-L152 PolarHBondContact O-N 2.69Å; K149-L152 VanDerWaalsContact O-N 3.16Å; K149-D153 WeakPolarHBondContact CE-OD2 3.31Å; K149-D153 VanDerWaalsContact CG-OD2 3.26Å; K149-D153 WeakPolarHBondContact CG-OD2 3.37Å; K149-D153 WeakPolarHBondContact O-CB 3.17Å; K149-D153 PolarHBondContact O-N 3.44Å; K149-M173 VanDerWaalsContact CA-CE 3.49Å; K149-M173 HydrophobicContact CB-CE 3.7Å; K149-M173 VanDerWaalsContact N-CE 3.29Å
150	N	91.6	Very high	92.4	Very high	80 Å²	80	64.2 Å²	64.2	43%	0.428	35%	0.35	S	S	.	.	H	α-helix	trans	-60	-34	175.8	-68.9	-21.8	0	0	0	112.2	P86 K146 G147 N154	P86-N150 HydrophobicContact CG-CB 4.26Å; K146-N150 WeakPolarHBondContact O-CB 3.29Å; K146-N150 PolarHBondContact O-N 3.38Å; K146-N150 PolarHBondContact O-ND2 3.19Å; K146-N150 PolarHBondContact O-OD1 3.42Å; G147-N150 PolarHBondContact O-N 3.06Å; N150-N154 WeakPolarHBondContact O-CB 3.19Å; N150-N154 PolarHBondContact O-N 2.92Å
151	L	93.6	Very high	92.8	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-66.6	-52.8	172.2	175.5	162.9	0	0	0	110.9	P86 G87 T90 V91 G147 L148 K149 N154 V157 V158 L161 A169	P86-L151 HydrophobicContact CB-CB 4.02Å; G87-L151 WeakPolarHBondContact O-CD1 3.4Å; T90-L151 HydrophobicContact CG2-CD1 4.28Å; V91-L151 HydrophobicContact CG2-CD1 3.87Å; G147-L151 PolarHBondContact O-N 2.74Å; L148-L151 WeakPolarHBondContact O-CB 3.45Å; L148-L151 PolarHBondContact O-N 2.9Å; K149-L151 PolarHBondContact O-N 2.71Å; L151-N154 PolarHBondContact O-N 2.85Å; L151-V157 HydrophobicContact CG-CG1 4.13Å; L151-V158 VanDerWaalsContact O-CG2 3.28Å; L151-V158 WeakPolarHBondContact O-CG2 3.44Å; L151-L161 HydrophobicContact CD2-CD1 3.69Å; L151-L161 HydrophobicContact CG-CD1 4.37Å; L151-A169 HydrophobicContact CD2-CB 4.23Å
152	L	94.8	Very high	93.1	Very high	42 Å²	42	63.6 Å²	63.6	22%	0.22	35%	0.345	C	S	.	.	H	α-helix	trans	-70.6	-30.6	-174.8	-69.5	174.6	0	0	0	113.9	L148 K149 N154 V158 A169 E170 M173	L148-L152 HydrophobicContact CG-CD1 4.37Å; L148-L152 WeakPolarHBondContact O-CG 3.47Å; L148-L152 PolarHBondContact O-N 3.31Å; K149-L152 PolarHBondContact O-N 2.69Å; K149-L152 VanDerWaalsContact O-N 3.16Å; L152-N154 VanDerWaalsContact C-N 3.32Å; L152-V158 WeakPolarHBondContact O-CG2 3.37Å; L152-A169 HydrophobicContact CD2-CB 3.97Å; L152-E170 HydrophobicContact CD2-CG 4.29Å; L152-M173 HydrophobicContact CD1-CB 3.64Å; L152-M173 HydrophobicContact CD1-CE 3.99Å; L152-M173 HydrophobicContact CD1-CG 3.93Å
153	D	94.6	Very high	93.3	Very high	117 Å²	117	65.2 Å²	65.2	63%	0.626	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-14.7	177.8	-72.2	-12.7	0	0	0	112.2	K149 A155	K149-D153 WeakPolarHBondContact CE-OD2 3.31Å; K149-D153 VanDerWaalsContact CG-OD2 3.26Å; K149-D153 WeakPolarHBondContact CG-OD2 3.37Å; K149-D153 WeakPolarHBondContact O-CB 3.17Å; K149-D153 PolarHBondContact O-N 3.44Å; D153-A155 PolarHBondContact O-N 2.84Å
154	N	94.8	Very high	93.5	Very high	66 Å²	66	62.8 Å²	62.8	35%	0.353	35%	0.348	S	S	.	.			trans	-90.3	97.3	178.6	-173.7	-21.2	0	0	0	111.6	N150 L151 L152 K156 V157 V158	N150-N154 WeakPolarHBondContact O-CB 3.19Å; N150-N154 PolarHBondContact O-N 2.92Å; L151-N154 PolarHBondContact O-N 2.85Å; L152-N154 VanDerWaalsContact C-N 3.32Å; N154-K156 PolarHBondContact O-N 2.78Å; N154-K156 VanDerWaalsContact O-N 3.07Å; N154-K156 PolarHBondContact OD1-N 2.66Å; N154-K156 VanDerWaalsContact OD1-N 3.1Å; N154-V157 HydrophobicContact CB-CB 4.14Å; N154-V157 HydrophobicContact CB-CG2 4.14Å; N154-V157 WeakPolarHBondContact ND2-CG2 3.14Å; N154-V157 PolarHBondContact O-N 3.36Å; N154-V157 VanDerWaalsContact O-N 3.07Å; N154-V157 PolarHBondContact OD1-N 2.91Å; N154-V158 WeakPolarHBondContact O-CG2 3.4Å; N154-V158 PolarHBondContact O-N 3.03Å
155	A	94.4	Very high	93.7	Very high	80 Å²	80	62.7 Å²	62.7	66%	0.661	35%	0.347	S	S	*	.	H	α-helix	trans	-55.3	-29.6	-178.2	0	0	0	0	0	114.9	D153 A159	D153-A155 PolarHBondContact O-N 2.84Å; A155-A159 WeakPolarHBondContact O-CB 3.42Å; A155-A159 PolarHBondContact O-N 3.3Å
156	K	94.5	Very high	93.9	Very high	164 Å²	164	65.8 Å²	65.8	71%	0.713	36%	0.359	S	S	*	.	H	α-helix	trans	-71.6	-46.8	177.1	-67.7	-176.2	179	-179.2	0	111.2	N154 A159 E160	N154-K156 PolarHBondContact O-N 2.78Å; N154-K156 VanDerWaalsContact O-N 3.07Å; N154-K156 PolarHBondContact OD1-N 2.66Å; N154-K156 VanDerWaalsContact OD1-N 3.1Å; K156-A159 PolarHBondContact O-N 2.84Å; K156-E160 PolarHBondContact O-N 3.08Å
157	V	94	Very high	94.1	Very high	20 Å²	20	63.5 Å²	63.5	12%	0.121	35%	0.347	C	S	.	.	H	α-helix	trans	-64	-46.5	178.5	173.6	0	0	0	0	110.3	P86 L151 N154 A159 E160 L161	P86-V157 WeakPolarHBondContact O-CG1 3.35Å; L151-V157 HydrophobicContact CG-CG1 4.13Å; N154-V157 HydrophobicContact CB-CB 4.14Å; N154-V157 HydrophobicContact CB-CG2 4.14Å; N154-V157 WeakPolarHBondContact ND2-CG2 3.14Å; N154-V157 PolarHBondContact O-N 3.36Å; N154-V157 VanDerWaalsContact O-N 3.07Å; N154-V157 PolarHBondContact OD1-N 2.91Å; V157-A159 PolarHBondContact O-N 3.36Å; V157-E160 WeakPolarHBondContact O-CB 3.12Å; V157-E160 PolarHBondContact O-N 3.35Å; V157-L161 PolarHBondContact O-N 3.03Å
158	V	94.3	Very high	94.4	Very high	24 Å²	24	62.7 Å²	62.7	15%	0.145	34%	0.339	C	S	.	.	H	α-helix	trans	-59.8	-34.8	178.6	175.2	0	0	0	0	112.2	L151 L152 N154 E160 L161 K166	L151-V158 VanDerWaalsContact O-CG2 3.28Å; L151-V158 WeakPolarHBondContact O-CG2 3.44Å; L152-V158 WeakPolarHBondContact O-CG2 3.37Å; N154-V158 WeakPolarHBondContact O-CG2 3.4Å; N154-V158 PolarHBondContact O-N 3.03Å; V158-E160 PolarHBondContact O-N 3.23Å; V158-L161 PolarHBondContact O-N 2.96Å; V158-K166 HydrophobicContact CG1-CD 3.99Å; V158-K166 HydrophobicContact CG1-CG 4.48Å
159	A	94.1	Very high	94.6	Very high	85 Å²	85	62.7 Å²	62.7	70%	0.702	34%	0.339	S	S	*	.	H	α-helix	trans	-69.6	-19.7	177.2	0	0	0	0	0	113.6	A155 K156 V157	A155-A159 WeakPolarHBondContact O-CB 3.42Å; A155-A159 PolarHBondContact O-N 3.3Å; K156-A159 PolarHBondContact O-N 2.84Å; V157-A159 PolarHBondContact O-N 3.36Å
160	E	94.2	Very high	94.7	Very high	158 Å²	158	61.3 Å²	61.3	74%	0.738	33%	0.334	S	S	*	.	H	α-helix	trans	-88.8	-14.6	176.3	-67.1	173.7	-177.7	0	0	112.8	K156 V157 V158	K156-E160 PolarHBondContact O-N 3.08Å; V157-E160 WeakPolarHBondContact O-CB 3.12Å; V157-E160 PolarHBondContact O-N 3.35Å; V158-E160 PolarHBondContact O-N 3.23Å
161	L	95.2	Very high	94.9	Very high	18 Å²	18	59 Å²	59	9%	0.094	32%	0.322	C	S	.	.	S	Bend	trans	-76.4	135.2	178.2	-59.2	-176.8	0	0	0	111.1	V88 L151 V157 V158 T165 K166	V88-L161 HydrophobicContact CB-CD2 4.49Å; V88-L161 HydrophobicContact CG2-CD2 3.57Å; L151-L161 HydrophobicContact CD2-CD1 3.69Å; L151-L161 HydrophobicContact CG-CD1 4.37Å; V157-L161 PolarHBondContact O-N 3.03Å; V158-L161 PolarHBondContact O-N 2.96Å; L161-T165 HydrophobicContact CB-CG2 4.48Å; L161-T165 HydrophobicContact CD1-CG2 4.36Å; L161-T165 HydrophobicContact CD2-CG2 3.88Å; L161-T165 HydrophobicContact CG-CG2 4.46Å; L161-K166 HydrophobicContact CB-CB 4.28Å
162	D	95.1	Very high	94.9	Very high	54 Å²	54	59.9 Å²	59.9	29%	0.289	33%	0.325	S	S	.	.			trans	-66.7	159	166	65.5	65.5	0	0	0	111.2	D164 T165 K166 R496	D162-D164 VanDerWaalsContact C-N 3.28Å; D162-D164 PolarHBondContact O-N 2.81Å; D162-D164 PolarHBondContact OD1-N 3.4Å; D162-T165 PolarHBondContact O-N 2.88Å; D162-T165 PolarHBondContact OD1-N 3.26Å; D162-T165 PolarHBondContact OD1-OG1 3.18Å; D162-T165 PolarHBondContact OD2-OG1 3.38Å; D162-K166 PolarHBondContact O-N 3.11Å; D162-R496 IonicContact OD1-CZ 2.63Å; D162-R496 IonicContact OD1-NH1 3.81Å; D162-R496 IonicContact OD1-NH2 2.69Å; D162-R496 PolarHBondContact OD1-NH2 3.29Å; D162-R496 IonicContact OD2-CZ 3.46Å; D162-R496 VanDerWaalsContact OD2-CZ 3.22Å; D162-R496 IonicContact OD2-NH1 3.71Å; D162-R496 PolarHBondContact OD2-NH1 3.14Å; D162-R496 IonicContact OD2-NH2 3.27Å; D162-R496 PolarHBondContact OD2-NH2 3.22Å
163	P	94.2	Very high	95	Very high	104 Å²	104	58.9 Å²	58.9	68%	0.675	32%	0.32	S	S	*	.	H	α-helix	trans	-55.3	-38.8	-175.4	-28.5	36.5	0	0	0	114.4	K166 R167	P163-K166 PolarHBondContact O-N 3.46Å; P163-R167 WeakPolarHBondContact O-CB 3.27Å; P163-R167 PolarHBondContact O-N 3.39Å
164	D	94.4	Very high	94.8	Very high	55 Å²	55	55.1 Å²	55.1	29%	0.294	30%	0.298	S	S	.	.	H	α-helix	trans	-68.2	-45	-178.8	-70.7	7.6	0	0	0	110.6	D162 K166 R167 V168	D162-D164 VanDerWaalsContact C-N 3.28Å; D162-D164 PolarHBondContact O-N 2.81Å; D162-D164 PolarHBondContact OD1-N 3.4Å; D164-K166 VanDerWaalsContact C-N 3.33Å; D164-K166 PolarHBondContact O-N 2.88Å; D164-R167 PolarHBondContact O-N 3.45Å; D164-V168 WeakPolarHBondContact O-CG2 3.46Å; D164-V168 PolarHBondContact O-N 2.8Å
165	T	96.1	Very high	94.7	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-58.3	-47.8	175.6	-43.3	0	0	0	0	111.5	V88 V91 L161 D162 R167 V168 A169 R496 Y497	V88-T165 HydrophobicContact CG2-CG2 4.45Å; V91-T165 HydrophobicContact CB-CG2 3.87Å; V91-T165 HydrophobicContact CG1-CG2 4.07Å; V91-T165 HydrophobicContact CG2-CG2 3.7Å; L161-T165 HydrophobicContact CB-CG2 4.48Å; L161-T165 HydrophobicContact CD1-CG2 4.36Å; L161-T165 HydrophobicContact CD2-CG2 3.88Å; L161-T165 HydrophobicContact CG-CG2 4.46Å; D162-T165 PolarHBondContact O-N 2.88Å; D162-T165 PolarHBondContact OD1-N 3.26Å; D162-T165 PolarHBondContact OD1-OG1 3.18Å; D162-T165 PolarHBondContact OD2-OG1 3.38Å; T165-R167 VanDerWaalsContact C-N 3.32Å; T165-R167 PolarHBondContact O-N 2.59Å; T165-V168 PolarHBondContact O-N 3.14Å; T165-A169 WeakPolarHBondContact O-CB 3.42Å; T165-A169 PolarHBondContact O-N 3.49Å; T165-R496 PolarHBondContact OG1-NH2 3.31Å; T165-Y497 WeakPolarHBondContact CG2-OH 3.37Å; T165-Y497 PolarHBondContact OG1-OH 3.48Å
166	K	96.1	Very high	94.6	Very high	82 Å²	82	50.3 Å²	50.3	36%	0.357	26%	0.261	S	S	.	.	H	α-helix	trans	-61.9	-45.4	-178.9	-177.5	-178.2	175.1	-174.7	0	110	V158 L161 D162 P163 D164 V168 A169 E170	V158-K166 HydrophobicContact CG1-CD 3.99Å; V158-K166 HydrophobicContact CG1-CG 4.48Å; L161-K166 HydrophobicContact CB-CB 4.28Å; D162-K166 PolarHBondContact O-N 3.11Å; P163-K166 PolarHBondContact O-N 3.46Å; D164-K166 VanDerWaalsContact C-N 3.33Å; D164-K166 PolarHBondContact O-N 2.88Å; K166-V168 PolarHBondContact O-N 3.41Å; K166-A169 WeakPolarHBondContact O-CB 3.43Å; K166-A169 PolarHBondContact O-N 3.33Å; K166-E170 WeakPolarHBondContact CE-OE1 3.17Å; K166-E170 WeakPolarHBondContact O-CG 3.49Å; K166-E170 PolarHBondContact O-N 3.45Å
167	R	94.8	Very high	94.4	Very high	60 Å²	60	45.8 Å²	45.8	23%	0.226	24%	0.242	C	C	.	.	H	α-helix	trans	-60.2	-45.6	177.4	177.9	57.3	173.6	179.3	0.5	111.9	P163 D164 T165 A169 E170 L171 A659	P163-R167 WeakPolarHBondContact O-CB 3.27Å; P163-R167 PolarHBondContact O-N 3.39Å; D164-R167 PolarHBondContact O-N 3.45Å; T165-R167 VanDerWaalsContact C-N 3.32Å; T165-R167 PolarHBondContact O-N 2.59Å; R167-A169 VanDerWaalsContact C-N 3.34Å; R167-A169 PolarHBondContact O-N 3.34Å; R167-E170 PolarHBondContact O-N 3.09Å; R167-L171 HydrophobicContact CG-CD1 4.17Å; R167-L171 VanDerWaalsContact O-CG 3.31Å; R167-L171 WeakPolarHBondContact O-CG 3.33Å; R167-L171 PolarHBondContact O-N 3.34Å; R167-A659 WeakPolarHBondContact CG-O 3.29Å
168	V	96.6	Very high	94.2	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-64.5	-39.9	178.2	172.7	0	0	0	0	111.3	V91 D164 T165 K166 E170 L171 F172 Y497 H499 V500	V91-V168 HydrophobicContact CG1-CB 4Å; V91-V168 HydrophobicContact CG1-CG1 3.63Å; D164-V168 WeakPolarHBondContact O-CG2 3.46Å; D164-V168 PolarHBondContact O-N 2.8Å; T165-V168 PolarHBondContact O-N 3.14Å; K166-V168 PolarHBondContact O-N 3.41Å; V168-E170 PolarHBondContact O-N 3.14Å; V168-L171 PolarHBondContact O-N 2.91Å; V168-F172 HydrophobicContact CG1-CD2 3.72Å; V168-F172 HydrophobicContact CG1-CE2 3.4Å; V168-F172 HydrophobicContact CG1-CZ 4.35Å; V168-F172 VanDerWaalsContact O-CD2 3.29Å; V168-F172 WeakPolarHBondContact O-CD2 3.45Å; V168-F172 PolarHBondContact O-N 3.11Å; V168-Y497 HydrophobicContact CB-CD2 4.19Å; V168-Y497 HydrophobicContact CB-CG 4.39Å; V168-Y497 HydrophobicContact CG1-CD1 4.48Å; V168-Y497 HydrophobicContact CG1-CD2 4.48Å; V168-Y497 HydrophobicContact CG1-CG 4.19Å; V168-Y497 HydrophobicContact CG2-CD2 3.65Å; V168-Y497 HydrophobicContact CG2-CE2 4.42Å; V168-Y497 HydrophobicContact CG2-CG 3.93Å; V168-H499 HydrophobicContact CG1-CB 4.39Å; V168-V500 HydrophobicContact CG2-CG1 3.89Å; V168-V500 HydrophobicContact CG2-CG2 3.83Å
169	A	96.4	Very high	93.8	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-60.4	-43.6	173	0	0	0	0	0	112.3	V91 L148 L151 L152 T165 K166 R167 L171 F172 M173	V91-A169 HydrophobicContact CG2-CB 3.77Å; L148-A169 HydrophobicContact CD1-CB 3.94Å; L148-A169 WeakPolarHBondContact CD2-O 3.48Å; L151-A169 HydrophobicContact CD2-CB 4.23Å; L152-A169 HydrophobicContact CD2-CB 3.97Å; T165-A169 WeakPolarHBondContact O-CB 3.42Å; T165-A169 PolarHBondContact O-N 3.49Å; K166-A169 WeakPolarHBondContact O-CB 3.43Å; K166-A169 PolarHBondContact O-N 3.33Å; R167-A169 VanDerWaalsContact C-N 3.34Å; R167-A169 PolarHBondContact O-N 3.34Å; A169-L171 VanDerWaalsContact C-N 3.34Å; A169-L171 PolarHBondContact O-N 3.47Å; A169-F172 PolarHBondContact O-N 3.14Å; A169-M173 WeakPolarHBondContact O-CB 3.46Å; A169-M173 PolarHBondContact O-N 3.27Å
170	E	95.2	Very high	93.5	Very high	78 Å²	78	41.4 Å²	41.4	36%	0.364	21%	0.206	S	C	.	.	H	α-helix	trans	-64.3	-37.4	176	-71.8	170.6	174.8	0	0	112.3	L152 K166 R167 V168 M173 F174	L152-E170 HydrophobicContact CD2-CG 4.29Å; K166-E170 WeakPolarHBondContact CE-OE1 3.17Å; K166-E170 WeakPolarHBondContact O-CG 3.49Å; K166-E170 PolarHBondContact O-N 3.45Å; R167-E170 PolarHBondContact O-N 3.09Å; V168-E170 PolarHBondContact O-N 3.14Å; E170-M173 PolarHBondContact O-N 2.87Å; E170-F174 VanDerWaalsContact O-CB 3.31Å; E170-F174 WeakPolarHBondContact O-CB 3.32Å; E170-F174 PolarHBondContact O-N 3.32Å
171	L	95	Very high	93.2	Very high	33 Å²	33	34.4 Å²	34.4	17%	0.173	17%	0.173	C	C	.	.	H	α-helix	trans	-67.6	-45	176.7	-71.9	171.3	0	0	0	111.8	R167 V168 A169 M173 F174 D175 V500	R167-L171 HydrophobicContact CG-CD1 4.17Å; R167-L171 VanDerWaalsContact O-CG 3.31Å; R167-L171 WeakPolarHBondContact O-CG 3.33Å; R167-L171 PolarHBondContact O-N 3.34Å; V168-L171 PolarHBondContact O-N 2.91Å; A169-L171 VanDerWaalsContact C-N 3.34Å; A169-L171 PolarHBondContact O-N 3.47Å; L171-M173 VanDerWaalsContact C-N 3.31Å; L171-M173 PolarHBondContact O-N 3.04Å; L171-F174 WeakPolarHBondContact O-CB 3.21Å; L171-F174 PolarHBondContact O-N 3.39Å; L171-F174 VanDerWaalsContact O-N 3.16Å; L171-D175 PolarHBondContact O-N 2.88Å; L171-V500 HydrophobicContact CD1-CG1 3.49Å; L171-V500 VanDerWaalsContact CD1-CG1 3.49Å
172	F	95.5	Very high	92.8	Very high	17 Å²	17	38.5 Å²	38.5	8%	0.075	19%	0.192	C	C	.	.	H	α-helix	trans	-61.2	-41.2	173	-76.9	-53.9	0	0	0	111.8	F94 D95 L148 V168 A169 F174 D175 F176 H499	F94-F172 HydrophobicContact CB-CD2 3.75Å; F94-F172 HydrophobicContact CB-CE1 4.43Å; F94-F172 HydrophobicContact CB-CE2 3.55Å; F94-F172 HydrophobicContact CB-CG 4.28Å; F94-F172 HydrophobicContact CB-CZ 3.93Å; F94-F172 HydrophobicContact CD1-CB 4.31Å; F94-F172 HydrophobicContact CD1-CD1 4.3Å; F94-F172 HydrophobicContact CD1-CD2 4.34Å; F94-F172 HydrophobicContact CD1-CG 4.09Å; F94-F172 HydrophobicContact CG-CD2 4.39Å; D95-F172 HydrophobicContact CB-CE2 4.44Å; D95-F172 HydrophobicContact CB-CZ 4.46Å; L148-F172 HydrophobicContact CD2-CB 3.53Å; V168-F172 HydrophobicContact CG1-CD2 3.72Å; V168-F172 HydrophobicContact CG1-CE2 3.4Å; V168-F172 HydrophobicContact CG1-CZ 4.35Å; V168-F172 VanDerWaalsContact O-CD2 3.29Å; V168-F172 WeakPolarHBondContact O-CD2 3.45Å; V168-F172 PolarHBondContact O-N 3.11Å; A169-F172 PolarHBondContact O-N 3.14Å; F172-F174 VanDerWaalsContact C-N 3.3Å; F172-F174 PolarHBondContact O-N 3.43Å; F172-D175 WeakPolarHBondContact O-CB 3.43Å; F172-D175 PolarHBondContact O-N 3.18Å; F172-F176 WeakPolarHBondContact O-CD2 3.5Å; F172-F176 PolarHBondContact O-N 2.89Å; F172-H499 HydrophobicContact CE1-CB 4.24Å; F172-H499 AromaticContact CE1-CE1 3.82Å; F172-H499 AromaticContact CE1-CG 3.73Å; F172-H499 AromaticContact CE1-ND1 3.45Å; F172-H499 WeakPolarHBondContact CE1-ND1 3.21Å; F172-H499 HydrophobicContact CE2-CB 4.32Å; F172-H499 HydrophobicContact CZ-CB 3.74Å; F172-H499 AromaticContact CZ-CG 3.7Å; F172-H499 AromaticContact CZ-ND1 3.88Å
173	M	94.9	Very high	92.6	Very high	21 Å²	21	36.6 Å²	36.6	10%	0.103	18%	0.181	C	C	.	.	H	α-helix	trans	-62.3	-42	175.8	-176.1	56.7	69.9	0	0	111.1	L148 K149 L152 A169 E170 L171 D175 F176 E177	L148-M173 HydrophobicContact CB-CE 3.85Å; L148-M173 HydrophobicContact CD2-CB 3.95Å; L148-M173 HydrophobicContact CD2-CE 4.08Å; L148-M173 VanDerWaalsContact CD2-N 3.34Å; L148-M173 HydrophobicContact CG-CE 3.85Å; K149-M173 VanDerWaalsContact CA-CE 3.49Å; K149-M173 HydrophobicContact CB-CE 3.7Å; K149-M173 VanDerWaalsContact N-CE 3.29Å; L152-M173 HydrophobicContact CD1-CB 3.64Å; L152-M173 HydrophobicContact CD1-CE 3.99Å; L152-M173 HydrophobicContact CD1-CG 3.93Å; A169-M173 WeakPolarHBondContact O-CB 3.46Å; A169-M173 PolarHBondContact O-N 3.27Å; E170-M173 PolarHBondContact O-N 2.87Å; L171-M173 VanDerWaalsContact C-N 3.31Å; L171-M173 PolarHBondContact O-N 3.04Å; M173-D175 VanDerWaalsContact C-N 3.3Å; M173-D175 PolarHBondContact O-N 3.23Å; M173-F176 WeakPolarHBondContact O-CB 3.27Å; M173-F176 PolarHBondContact O-N 2.89Å; M173-E177 WeakPolarHBondContact O-CG 3.11Å; M173-E177 PolarHBondContact O-N 3.5Å
174	F	92.3	Very high	92.4	Very high	39 Å²	39	36 Å²	36	17%	0.171	17%	0.173	C	C	.	.	H	α-helix	trans	-58.8	-41.5	175	175.7	-110.4	0	0	0	111.9	E170 L171 F172 F176 E177 I178 Y284 K293	E170-F174 VanDerWaalsContact O-CB 3.31Å; E170-F174 WeakPolarHBondContact O-CB 3.32Å; E170-F174 PolarHBondContact O-N 3.32Å; L171-F174 WeakPolarHBondContact O-CB 3.21Å; L171-F174 PolarHBondContact O-N 3.39Å; L171-F174 VanDerWaalsContact O-N 3.16Å; F172-F174 VanDerWaalsContact C-N 3.3Å; F172-F174 PolarHBondContact O-N 3.43Å; F174-F176 VanDerWaalsContact C-N 3.34Å; F174-F176 PolarHBondContact O-N 2.92Å; F174-E177 WeakPolarHBondContact O-CB 3.46Å; F174-E177 PolarHBondContact O-N 3.01Å; F174-E177 VanDerWaalsContact O-N 3.15Å; F174-I178 HydrophobicContact CD1-CD1 4.44Å; F174-I178 HydrophobicContact CD1-CG2 4.43Å; F174-I178 HydrophobicContact CD2-CG2 3.88Å; F174-I178 HydrophobicContact CE1-CD1 4.12Å; F174-I178 HydrophobicContact CE1-CG2 4.01Å; F174-I178 HydrophobicContact CE2-CG2 3.38Å; F174-I178 HydrophobicContact CG-CG2 4.4Å; F174-I178 HydrophobicContact CZ-CG2 3.48Å; F174-I178 VanDerWaalsContact CZ-CG2 3.48Å; F174-I178 WeakPolarHBondContact O-CG1 3.48Å; F174-I178 WeakPolarHBondContact O-CG2 3.45Å; F174-I178 PolarHBondContact O-N 3.34Å; F174-Y284 WeakPolarHBondContact CE2-OH 3.45Å; F174-K293 HydrophobicContact CD2-CD 4.05Å; F174-K293 VanDerWaalsContact CD2-CE 3.46Å; F174-K293 HydrophobicContact CE2-CB 4.19Å; F174-K293 HydrophobicContact CE2-CD 3.47Å; F174-K293 VanDerWaalsContact CE2-CD 3.47Å; F174-K293 VanDerWaalsContact CE2-CE 3.45Å; F174-K293 HydrophobicContact CE2-CG 3.87Å; F174-K293 HydrophobicContact CZ-CB 4.12Å; F174-K293 HydrophobicContact CZ-CD 4.25Å; F174-K293 HydrophobicContact CZ-CG 4.19Å
175	D	92.1	Very high	92	Very high	41 Å²	41	38.5 Å²	38.5	22%	0.219	19%	0.186	C	C	.	.	H	α-helix	trans	-60.7	-39.8	176.3	-73.1	-15.8	0	0	0	112.8	L171 F172 M173 I178 S179 H499	L171-D175 PolarHBondContact O-N 2.88Å; F172-D175 WeakPolarHBondContact O-CB 3.43Å; F172-D175 PolarHBondContact O-N 3.18Å; M173-D175 VanDerWaalsContact C-N 3.3Å; M173-D175 PolarHBondContact O-N 3.23Å; D175-I178 VanDerWaalsContact O-CG1 3.25Å; D175-I178 WeakPolarHBondContact O-CG1 3.48Å; D175-S179 WeakPolarHBondContact O-CB 3.23Å; D175-S179 PolarHBondContact O-N 2.8Å; D175-S179 PolarHBondContact O-OG 2.75Å; D175-H499 IonicContact OD2-CE1 2.78Å; D175-H499 PolarHBondContact OD2-CE1 2.96Å; D175-H499 IonicContact OD2-NE2 3.92Å
176	F	92.8	Very high	91.8	Very high	4 Å²	4	46.3 Å²	46.3	2%	0.018	22%	0.22	C	C	.	.	H	α-helix	trans	-64.2	-45	172	-76	-73.3	0	0	0	112.5	F94 L138 N139 L144 C145 L148 F172 M173 F174 S179 G180 I181	F94-F176 HydrophobicContact CD1-CE2 4.43Å; F94-F176 AromaticContact CE1-CE2 3.54Å; F94-F176 HydrophobicContact CE1-CE2 3.54Å; F94-F176 AromaticContact CE1-CZ 3.67Å; F94-F176 HydrophobicContact CE1-CZ 3.67Å; F94-F176 HydrophobicContact CZ-CE2 4.27Å; F94-F176 HydrophobicContact CZ-CZ 4.31Å; L138-F176 VanDerWaalsContact O-CE1 3.23Å; L138-F176 WeakPolarHBondContact O-CE1 3.27Å; N139-F176 WeakPolarHBondContact O-CD1 3.36Å; L144-F176 HydrophobicContact CB-CE1 4.19Å; L144-F176 HydrophobicContact CB-CZ 3.74Å; C145-F176 HydrophobicContact CB-CD1 3.75Å; C145-F176 HydrophobicContact CB-CD2 4.32Å; C145-F176 HydrophobicContact CB-CE1 3.95Å; C145-F176 HydrophobicContact CB-CG 3.99Å; C145-F176 HydrophobicContact CB-CZ 4.35Å; L148-F176 HydrophobicContact CD2-CD2 4.27Å; L148-F176 HydrophobicContact CD2-CE2 4.14Å; F172-F176 WeakPolarHBondContact O-CD2 3.5Å; F172-F176 PolarHBondContact O-N 2.89Å; M173-F176 WeakPolarHBondContact O-CB 3.27Å; M173-F176 PolarHBondContact O-N 2.89Å; F174-F176 VanDerWaalsContact C-N 3.34Å; F174-F176 PolarHBondContact O-N 2.92Å; F176-S179 PolarHBondContact O-N 3.27Å; F176-G180 PolarHBondContact O-N 2.98Å; F176-I181 HydrophobicContact CB-CB 4.16Å; F176-I181 HydrophobicContact CB-CG2 3.69Å; F176-I181 HydrophobicContact CD1-CB 4.42Å; F176-I181 HydrophobicContact CD1-CG1 4.35Å; F176-I181 WeakPolarHBondContact O-CB 3.24Å; F176-I181 WeakPolarHBondContact O-CG2 3.39Å; F176-I181 PolarHBondContact O-N 2.9Å; F176-I181 VanDerWaalsContact O-N 3.09Å
177	E	90.6	Very high	91.6	Very high	69 Å²	69	45.1 Å²	45.1	32%	0.322	22%	0.217	S	C	.	.	H	α-helix	trans	-60.7	-47.4	-179.6	-72.9	176.7	173.6	0	0	111.3	M173 F174 S179 G180 H182 K293	M173-E177 WeakPolarHBondContact O-CG 3.11Å; M173-E177 PolarHBondContact O-N 3.5Å; F174-E177 WeakPolarHBondContact O-CB 3.46Å; F174-E177 PolarHBondContact O-N 3.01Å; F174-E177 VanDerWaalsContact O-N 3.15Å; E177-S179 PolarHBondContact O-N 3.22Å; E177-G180 PolarHBondContact O-N 3.05Å; E177-H182 PolarHBondContact O-CE1 3.4Å; E177-H182 VanDerWaalsContact O-CE1 3.22Å; E177-H182 PolarHBondContact O-ND1 3.12Å; E177-K293 IonicContact OE2-NZ 2.84Å
178	I	87.9	Confident	91.2	Very high	29 Å²	29	44.5 Å²	44.5	15%	0.149	22%	0.215	C	C	.	.	H	α-helix	trans	-70.8	-17.5	-179.6	67.4	177.6	0	0	0	113.1	F174 D175 G180 Y284 R290	F174-I178 HydrophobicContact CD1-CD1 4.44Å; F174-I178 HydrophobicContact CD1-CG2 4.43Å; F174-I178 HydrophobicContact CD2-CG2 3.88Å; F174-I178 HydrophobicContact CE1-CD1 4.12Å; F174-I178 HydrophobicContact CE1-CG2 4.01Å; F174-I178 HydrophobicContact CE2-CG2 3.38Å; F174-I178 HydrophobicContact CG-CG2 4.4Å; F174-I178 HydrophobicContact CZ-CG2 3.48Å; F174-I178 VanDerWaalsContact CZ-CG2 3.48Å; F174-I178 WeakPolarHBondContact O-CG1 3.48Å; F174-I178 WeakPolarHBondContact O-CG2 3.45Å; F174-I178 PolarHBondContact O-N 3.34Å; D175-I178 VanDerWaalsContact O-CG1 3.25Å; D175-I178 WeakPolarHBondContact O-CG1 3.48Å; I178-G180 VanDerWaalsContact C-N 3.3Å; I178-Y284 HydrophobicContact CG2-CE2 4.49Å; I178-R290 HydrophobicContact CG2-CG 4.33Å; I178-R290 PolarHBondContact O-NH2 3.28Å
179	S	86.6	Confident	90.8	Very high	7 Å²	7	52 Å²	52	5%	0.049	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-2.4	172.1	-55.1	0	0	0	0	112.4	N139 D175 F176 E177	N139-S179 WeakPolarHBondContact CB-OG 3.28Å; D175-S179 WeakPolarHBondContact O-CB 3.23Å; D175-S179 PolarHBondContact O-N 2.8Å; D175-S179 PolarHBondContact O-OG 2.75Å; F176-S179 PolarHBondContact O-N 3.27Å; E177-S179 PolarHBondContact O-N 3.22Å
180	G	88.1	Confident	90.5	Very high	0 Å²	0	55 Å²	55	0%	0	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.8	25.9	176	0	0	0	0	0	114.3	F176 E177 I178 H182 L183	F176-G180 PolarHBondContact O-N 2.98Å; E177-G180 PolarHBondContact O-N 3.05Å; I178-G180 VanDerWaalsContact C-N 3.3Å; G180-H182 PolarHBondContact O-N 3.41Å; G180-H182 VanDerWaalsContact O-N 3.16Å; G180-L183 VanDerWaalsContact O-CB 3.24Å; G180-L183 WeakPolarHBondContact O-CB 3.2Å; G180-L183 VanDerWaalsContact O-CG 3.26Å; G180-L183 WeakPolarHBondContact O-CG 3.49Å; G180-L183 PolarHBondContact O-N 3.11Å; G180-L183 VanDerWaalsContact O-N 3.12Å
181	I	87.4	Confident	90.3	Very high	11 Å²	11	51.3 Å²	51.3	6%	0.056	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-35.8	-178.8	-166.4	61.3	0	0	0	112.8	T140 V142 C145 F176 L183 R188	T140-I181 WeakPolarHBondContact O-CD1 3.3Å; V142-I181 HydrophobicContact CG2-CD1 4.01Å; C145-I181 HydrophobicContact CB-CG1 3.78Å; C145-I181 HydrophobicContact CB-CG2 4.5Å; F176-I181 HydrophobicContact CB-CB 4.16Å; F176-I181 HydrophobicContact CB-CG2 3.69Å; F176-I181 HydrophobicContact CD1-CB 4.42Å; F176-I181 HydrophobicContact CD1-CG1 4.35Å; F176-I181 WeakPolarHBondContact O-CB 3.24Å; F176-I181 WeakPolarHBondContact O-CG2 3.39Å; F176-I181 PolarHBondContact O-N 2.9Å; F176-I181 VanDerWaalsContact O-N 3.09Å; I181-L183 PolarHBondContact O-N 3.33Å; I181-R188 PolarHBondContact O-NE 3.03Å; I181-R188 PolarHBondContact O-NH2 3.41Å; I181-R188 VanDerWaalsContact O-NH2 3.17Å
182	H	87.6	Confident	89.9	Confident	105 Å²	105	52.8 Å²	52.8	49%	0.486	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-10.9	-173.6	59.8	-87.9	0	0	0	112.7	E177 G180	E177-H182 PolarHBondContact O-CE1 3.4Å; E177-H182 VanDerWaalsContact O-CE1 3.22Å; E177-H182 PolarHBondContact O-ND1 3.12Å; G180-H182 PolarHBondContact O-N 3.41Å; G180-H182 VanDerWaalsContact O-N 3.16Å
183	L	89.2	Confident	89.6	Confident	14 Å²	14	54.9 Å²	54.9	7%	0.073	28%	0.275	C	S	.	.	S	Bend	trans	-73.1	153.5	178.1	-57.1	175.7	0	0	0	110.9	G180 I181 L187 R188 A191 L281 V282	G180-L183 VanDerWaalsContact O-CB 3.24Å; G180-L183 WeakPolarHBondContact O-CB 3.2Å; G180-L183 VanDerWaalsContact O-CG 3.26Å; G180-L183 WeakPolarHBondContact O-CG 3.49Å; G180-L183 PolarHBondContact O-N 3.11Å; G180-L183 VanDerWaalsContact O-N 3.12Å; I181-L183 PolarHBondContact O-N 3.33Å; L183-L187 HydrophobicContact CB-CB 3.83Å; L183-L187 HydrophobicContact CD1-CB 4.23Å; L183-L187 HydrophobicContact CD2-CB 4.42Å; L183-L187 HydrophobicContact CD2-CD1 4.48Å; L183-L187 HydrophobicContact CG-CB 4.39Å; L183-R188 HydrophobicContact CB-CB 4.26Å; L183-R188 PolarHBondContact O-NH2 2.93Å; L183-A191 HydrophobicContact CD1-CB 4.05Å; L183-L281 HydrophobicContact CD1-CD1 4.29Å; L183-L281 HydrophobicContact CD1-CD2 4.08Å; L183-L281 HydrophobicContact CD1-CG 3.71Å; L183-L281 VanDerWaalsContact CD2-O 3.27Å; L183-L281 WeakPolarHBondContact CD2-O 3.31Å; L183-V282 HydrophobicContact CD1-CG1 4.27Å
184	D	90.7	Very high	89.5	Confident	91 Å²	91	54.5 Å²	54.5	49%	0.487	27%	0.273	S	S	.	.			trans	-63.5	164.8	167.3	69	54.7	0	0	0	111.3	K186 L187 R188	D184-K186 PolarHBondContact O-N 2.96Å; D184-K186 VanDerWaalsContact O-N 3.13Å; D184-K186 WeakPolarHBondContact OD1-CA 3.04Å; D184-K186 WeakPolarHBondContact OD1-CB 3.12Å; D184-K186 PolarHBondContact OD1-N 3.34Å; D184-L187 PolarHBondContact O-N 2.98Å; D184-L187 PolarHBondContact OD1-N 3.19Å; D184-L187 WeakPolarHBondContact OD2-CD1 3.42Å; D184-R188 VanDerWaalsContact O-CB 3.3Å; D184-R188 WeakPolarHBondContact O-CB 3.27Å; D184-R188 PolarHBondContact O-N 3.39Å
185	D	86	Confident	89.3	Confident	107 Å²	107	54.4 Å²	54.4	57%	0.572	27%	0.273	S	S	*	.	H	α-helix	trans	-60.3	-28.4	-174	-71.4	-18.3	0	0	0	114	R188 K189	D185-R188 IonicContact OD1-CZ 3.86Å; D185-R188 IonicContact OD1-NH1 2.74Å; D185-R188 PolarHBondContact OD1-NH1 2.8Å; D185-R188 IonicContact OD1-NH2 2.66Å; D185-K189 WeakPolarHBondContact O-CB 3.48Å; D185-K189 VanDerWaalsContact O-CG 3.24Å; D185-K189 WeakPolarHBondContact O-CG 3.35Å; D185-K189 PolarHBondContact O-N 3.11Å
186	K	91.6	Very high	89.1	Confident	165 Å²	165	56.4 Å²	56.4	72%	0.717	29%	0.286	S	S	*	.	H	α-helix	trans	-72.8	-50.7	178	-179.9	-174	173.9	-172.9	0	109.8	D184 R188 K189 E190	D184-K186 PolarHBondContact O-N 2.96Å; D184-K186 VanDerWaalsContact O-N 3.13Å; D184-K186 WeakPolarHBondContact OD1-CA 3.04Å; D184-K186 WeakPolarHBondContact OD1-CB 3.12Å; D184-K186 PolarHBondContact OD1-N 3.34Å; K186-R188 VanDerWaalsContact C-N 3.35Å; K186-K189 PolarHBondContact O-N 3.38Å; K186-E190 PolarHBondContact O-N 3.39Å; K186-E190 VanDerWaalsContact O-N 3.16Å
187	L	91.4	Very high	89.2	Confident	57 Å²	57	60.2 Å²	60.2	30%	0.298	30%	0.303	S	S	.	.	H	α-helix	trans	-67.2	-35.3	179.2	-66.7	-178.9	0	0	0	111.8	L183 D184 E190 A191 L281	L183-L187 HydrophobicContact CB-CB 3.83Å; L183-L187 HydrophobicContact CD1-CB 4.23Å; L183-L187 HydrophobicContact CD2-CB 4.42Å; L183-L187 HydrophobicContact CD2-CD1 4.48Å; L183-L187 HydrophobicContact CG-CB 4.39Å; D184-L187 PolarHBondContact O-N 2.98Å; D184-L187 PolarHBondContact OD1-N 3.19Å; D184-L187 WeakPolarHBondContact OD2-CD1 3.42Å; L187-E190 WeakPolarHBondContact O-CB 3.38Å; L187-E190 PolarHBondContact O-N 3.18Å; L187-A191 PolarHBondContact O-N 2.69Å; L187-L281 HydrophobicContact CB-CD1 4.02Å; L187-L281 HydrophobicContact CD1-CD1 4.46Å; L187-L281 HydrophobicContact CD2-CD1 3.73Å; L187-L281 HydrophobicContact CG-CD1 4.27Å
188	R	87.8	Confident	89.3	Confident	47 Å²	47	57.7 Å²	57.7	18%	0.177	29%	0.292	C	S	.	.	H	α-helix	trans	-64.2	-42.6	175	-163.6	-175.4	-55.1	130.4	6.8	111.7	I181 L183 D184 D185 K186 E190 A191 V192	I181-R188 PolarHBondContact O-NE 3.03Å; I181-R188 PolarHBondContact O-NH2 3.41Å; I181-R188 VanDerWaalsContact O-NH2 3.17Å; L183-R188 HydrophobicContact CB-CB 4.26Å; L183-R188 PolarHBondContact O-NH2 2.93Å; D184-R188 VanDerWaalsContact O-CB 3.3Å; D184-R188 WeakPolarHBondContact O-CB 3.27Å; D184-R188 PolarHBondContact O-N 3.39Å; D185-R188 IonicContact OD1-CZ 3.86Å; D185-R188 IonicContact OD1-NH1 2.74Å; D185-R188 PolarHBondContact OD1-NH1 2.8Å; D185-R188 IonicContact OD1-NH2 2.66Å; K186-R188 VanDerWaalsContact C-N 3.35Å; R188-E190 VanDerWaalsContact C-N 3.27Å; R188-E190 PolarHBondContact O-N 3.08Å; R188-A191 WeakPolarHBondContact O-CB 3.42Å; R188-A191 PolarHBondContact O-N 2.8Å; R188-V192 WeakPolarHBondContact O-CG2 3.49Å; R188-V192 PolarHBondContact O-N 3.13Å
189	K	86.9	Confident	89.4	Confident	158 Å²	158	62.2 Å²	62.2	69%	0.687	32%	0.316	S	S	*	.	H	α-helix	trans	-61.2	-37.6	173.2	-76.3	173.6	-175.9	178.4	0	112.1	D185 K186 A193	D185-K189 WeakPolarHBondContact O-CB 3.48Å; D185-K189 VanDerWaalsContact O-CG 3.24Å; D185-K189 WeakPolarHBondContact O-CG 3.35Å; D185-K189 PolarHBondContact O-N 3.11Å; K186-K189 PolarHBondContact O-N 3.38Å; K189-A193 WeakPolarHBondContact O-CB 3.44Å; K189-A193 PolarHBondContact O-N 3.36Å
190	E	91.6	Very high	89.6	Confident	62 Å²	62	66.6 Å²	66.6	29%	0.29	34%	0.339	S	S	.	.	H	α-helix	trans	-66	-42.1	174.4	-177.5	170.7	-168.9	0	0	112.1	K186 L187 R188 A193 L194 K277 L281	K186-E190 PolarHBondContact O-N 3.39Å; K186-E190 VanDerWaalsContact O-N 3.16Å; L187-E190 WeakPolarHBondContact O-CB 3.38Å; L187-E190 PolarHBondContact O-N 3.18Å; R188-E190 VanDerWaalsContact C-N 3.27Å; R188-E190 PolarHBondContact O-N 3.08Å; E190-A193 PolarHBondContact O-N 3.12Å; E190-L194 HydrophobicContact CG-CD1 4.37Å; E190-L194 WeakPolarHBondContact O-CG 3.42Å; E190-L194 PolarHBondContact O-N 2.94Å; E190-K277 WeakPolarHBondContact OE1-CE 3.43Å; E190-K277 IonicContact OE1-NZ 3.85Å; E190-K277 PolarHBondContact OE1-NZ 3Å; E190-L281 HydrophobicContact CB-CD2 4.37Å; E190-L281 HydrophobicContact CG-CD2 4.25Å
191	A	90	Very high	90	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-59.1	-48.5	174.5	0	0	0	0	0	111.3	L183 L187 R188 A193 L194 H195 L278 L281	L183-A191 HydrophobicContact CD1-CB 4.05Å; L187-A191 PolarHBondContact O-N 2.69Å; R188-A191 WeakPolarHBondContact O-CB 3.42Å; R188-A191 PolarHBondContact O-N 2.8Å; A191-A193 VanDerWaalsContact C-N 3.35Å; A191-A193 PolarHBondContact O-N 2.82Å; A191-L194 WeakPolarHBondContact O-CB 3.46Å; A191-L194 PolarHBondContact O-N 3.37Å; A191-L194 VanDerWaalsContact O-N 3.15Å; A191-H195 PolarHBondContact O-CD2 3.49Å; A191-H195 PolarHBondContact O-N 2.7Å; A191-L278 HydrophobicContact CB-CD1 4.09Å; A191-L281 HydrophobicContact CB-CD2 3.63Å
192	V	86	Confident	90.3	Very high	64 Å²	64	67.9 Å²	67.9	39%	0.388	35%	0.347	S	S	.	.	H	α-helix	trans	-59.4	-44.6	177.5	172.1	0	0	0	0	111.4	T140 R188 L194 H195 V196	T140-V192 HydrophobicContact CG2-CG2 4.36Å; R188-V192 WeakPolarHBondContact O-CG2 3.49Å; R188-V192 PolarHBondContact O-N 3.13Å; V192-L194 VanDerWaalsContact C-N 3.3Å; V192-L194 PolarHBondContact O-N 2.97Å; V192-H195 WeakPolarHBondContact O-CB 3.3Å; V192-H195 PolarHBondContact O-N 2.91Å; V192-V196 WeakPolarHBondContact O-CG2 3.36Å; V192-V196 PolarHBondContact O-N 2.9Å
193	A	89.3	Confident	90.4	Very high	61 Å²	61	67.1 Å²	67.1	50%	0.504	35%	0.347	S	S	.	.	H	α-helix	trans	-62	-38	177.2	0	0	0	0	0	112.4	K189 E190 A191 K197	K189-A193 WeakPolarHBondContact O-CB 3.44Å; K189-A193 PolarHBondContact O-N 3.36Å; E190-A193 PolarHBondContact O-N 3.12Å; A191-A193 VanDerWaalsContact C-N 3.35Å; A191-A193 PolarHBondContact O-N 2.82Å; A193-K197 WeakPolarHBondContact O-CB 3.37Å; A193-K197 PolarHBondContact O-N 3.08Å; A193-K197 VanDerWaalsContact O-N 3.11Å
194	L	93	Very high	90.7	Very high	14 Å²	14	71.2 Å²	71.2	7%	0.073	37%	0.365	C	S	.	.	H	α-helix	trans	-66.5	-40.3	174.1	-72.9	167.9	0	0	0	112.1	E190 A191 V192 K197 L198 C274 K277 L278 L281	E190-L194 HydrophobicContact CG-CD1 4.37Å; E190-L194 WeakPolarHBondContact O-CG 3.42Å; E190-L194 PolarHBondContact O-N 2.94Å; A191-L194 WeakPolarHBondContact O-CB 3.46Å; A191-L194 PolarHBondContact O-N 3.37Å; A191-L194 VanDerWaalsContact O-N 3.15Å; V192-L194 VanDerWaalsContact C-N 3.3Å; V192-L194 PolarHBondContact O-N 2.97Å; L194-K197 PolarHBondContact O-N 3.13Å; L194-L198 WeakPolarHBondContact O-CB 3.48Å; L194-L198 VanDerWaalsContact O-CG 3.23Å; L194-L198 WeakPolarHBondContact O-CG 3.29Å; L194-L198 PolarHBondContact O-N 2.74Å; L194-C274 HydrophobicContact CD2-CB 4.18Å; L194-K277 HydrophobicContact CD1-CB 4.34Å; L194-K277 HydrophobicContact CD1-CD 4.1Å; L194-K277 HydrophobicContact CD1-CG 3.97Å; L194-K277 HydrophobicContact CD2-CD 4.16Å; L194-L278 HydrophobicContact CB-CB 4.47Å; L194-L278 HydrophobicContact CB-CD1 4.47Å; L194-L278 HydrophobicContact CD1-CB 4.2Å; L194-L281 HydrophobicContact CD1-CD2 4.28Å
195	H	88.9	Confident	91	Very high	37 Å²	37	66.9 Å²	66.9	17%	0.171	34%	0.342	C	S	.	.	H	α-helix	trans	-60.9	-47.4	176.6	-87	-79.7	0	0	0	112.3	A191 V192 K197 L198 L199	A191-H195 PolarHBondContact O-CD2 3.49Å; A191-H195 PolarHBondContact O-N 2.7Å; V192-H195 WeakPolarHBondContact O-CB 3.3Å; V192-H195 PolarHBondContact O-N 2.91Å; H195-K197 PolarHBondContact O-N 3.24Å; H195-L198 PolarHBondContact O-N 3.13Å; H195-L199 PolarHBondContact O-N 2.9Å
196	V	87.6	Confident	91.2	Very high	82 Å²	82	65 Å²	65	50%	0.497	33%	0.331	S	S	.	.	H	α-helix	trans	-59.1	-49.5	176.2	174	0	0	0	0	110.5	V192 L198 L199 D200	V192-V196 WeakPolarHBondContact O-CG2 3.36Å; V192-V196 PolarHBondContact O-N 2.9Å; V196-L198 VanDerWaalsContact C-N 3.29Å; V196-L198 PolarHBondContact O-N 2.85Å; V196-L199 WeakPolarHBondContact O-CB 3.45Å; V196-L199 PolarHBondContact O-N 2.77Å; V196-L199 VanDerWaalsContact O-N 3.1Å; V196-D200 PolarHBondContact O-N 2.83Å; V196-D200 VanDerWaalsContact O-N 3.15Å
197	K	94	Very high	91.1	Very high	84 Å²	84	62.1 Å²	62.1	37%	0.365	32%	0.323	S	S	.	.	H	α-helix	trans	-60	-39.2	178.5	-173.5	173.4	-176.5	-178.7	0	112.4	A193 L194 H195 L199 D200 L201 E270	A193-K197 WeakPolarHBondContact O-CB 3.37Å; A193-K197 PolarHBondContact O-N 3.08Å; A193-K197 VanDerWaalsContact O-N 3.11Å; L194-K197 PolarHBondContact O-N 3.13Å; H195-K197 PolarHBondContact O-N 3.24Å; K197-L199 VanDerWaalsContact C-N 3.33Å; K197-D200 PolarHBondContact O-N 2.86Å; K197-L201 HydrophobicContact CD-CD1 4.45Å; K197-L201 HydrophobicContact CG-CD1 3.83Å; K197-L201 HydrophobicContact CG-CG 4.3Å; K197-L201 WeakPolarHBondContact O-CB 3.21Å; K197-L201 VanDerWaalsContact O-CG 3.23Å; K197-L201 WeakPolarHBondContact O-CG 3.34Å; K197-L201 PolarHBondContact O-N 3.16Å; K197-E270 IonicContact NZ-OE1 3.58Å; K197-E270 PolarHBondContact NZ-OE1 2.92Å
198	L	94.5	Very high	91.2	Very high	16 Å²	16	60.2 Å²	60.2	8%	0.084	32%	0.317	C	S	.	.	H	α-helix	trans	-64.9	-36.5	176.9	-79.5	170.4	0	0	0	112.5	L194 H195 V196 S202 L271 C274 R275 L278	L194-L198 WeakPolarHBondContact O-CB 3.48Å; L194-L198 VanDerWaalsContact O-CG 3.23Å; L194-L198 WeakPolarHBondContact O-CG 3.29Å; L194-L198 PolarHBondContact O-N 2.74Å; H195-L198 PolarHBondContact O-N 3.13Å; V196-L198 VanDerWaalsContact C-N 3.29Å; V196-L198 PolarHBondContact O-N 2.85Å; L198-S202 WeakPolarHBondContact O-CB 3.46Å; L198-S202 PolarHBondContact O-N 2.98Å; L198-S202 PolarHBondContact O-OG 2.95Å; L198-L271 HydrophobicContact CD2-CG 4.14Å; L198-L271 WeakPolarHBondContact CD2-O 3.49Å; L198-C274 HydrophobicContact CD1-CB 4.47Å; L198-C274 HydrophobicContact CD2-CB 3.55Å; L198-C274 HydrophobicContact CG-CB 3.86Å; L198-R275 HydrophobicContact CD1-CG 4.32Å; L198-R275 HydrophobicContact CD2-CG 3.64Å; L198-L278 HydrophobicContact CD1-CD2 3.69Å
199	L	89.1	Confident	91.4	Very high	125 Å²	125	58 Å²	58	65%	0.654	31%	0.309	S	S	*	.	H	α-helix	trans	-63.7	-48.4	175.9	-177.5	64.6	0	0	0	110.8	H195 V196 K197 S202 N203	H195-L199 PolarHBondContact O-N 2.9Å; V196-L199 WeakPolarHBondContact O-CB 3.45Å; V196-L199 PolarHBondContact O-N 2.77Å; V196-L199 VanDerWaalsContact O-N 3.1Å; K197-L199 VanDerWaalsContact C-N 3.33Å; L199-S202 PolarHBondContact O-N 2.91Å; L199-N203 PolarHBondContact O-N 2.75Å
200	D	90.2	Very high	91.4	Very high	99 Å²	99	56.1 Å²	56.1	53%	0.529	30%	0.302	S	S	.	.	H	α-helix	trans	-59.9	-51.4	178.8	-65.7	-25.8	0	0	0	111.3	V196 K197 S202 N203 E204	V196-D200 PolarHBondContact O-N 2.83Å; V196-D200 VanDerWaalsContact O-N 3.15Å; K197-D200 PolarHBondContact O-N 2.86Å; D200-S202 VanDerWaalsContact C-N 3.3Å; D200-S202 PolarHBondContact O-N 3.08Å; D200-N203 PolarHBondContact O-N 3.36Å; D200-E204 WeakPolarHBondContact O-CB 3.43Å; D200-E204 PolarHBondContact O-N 3.42Å
201	L	96.8	Very high	91.3	Very high	17 Å²	17	56.8 Å²	56.8	9%	0.089	31%	0.31	C	S	.	.	H	α-helix	trans	-62.1	-37.4	178.6	-69.3	169.7	0	0	0	112.2	K197 F205 C267 E270 L271	K197-L201 HydrophobicContact CD-CD1 4.45Å; K197-L201 HydrophobicContact CG-CD1 3.83Å; K197-L201 HydrophobicContact CG-CG 4.3Å; K197-L201 WeakPolarHBondContact O-CB 3.21Å; K197-L201 VanDerWaalsContact O-CG 3.23Å; K197-L201 WeakPolarHBondContact O-CG 3.34Å; K197-L201 PolarHBondContact O-N 3.16Å; L201-F205 VanDerWaalsContact O-CB 3.28Å; L201-F205 WeakPolarHBondContact O-CB 3.48Å; L201-F205 PolarHBondContact O-N 3.37Å; L201-C267 PolarHBondContact O-SG 2.91Å; L201-E270 HydrophobicContact CD1-CB 4.28Å; L201-E270 HydrophobicContact CD1-CG 4Å; L201-L271 HydrophobicContact CB-CB 4.12Å; L201-L271 HydrophobicContact CB-CD1 4Å; L201-L271 HydrophobicContact CB-CG 4.37Å; L201-L271 HydrophobicContact CD1-CB 4.17Å
202	S	94.6	Very high	91.4	Very high	20 Å²	20	59.3 Å²	59.3	14%	0.14	33%	0.327	C	S	.	.	H	α-helix	trans	-64.7	-43.8	178.1	-65.3	0	0	0	0	111.1	L198 L199 D200 L206	L198-S202 WeakPolarHBondContact O-CB 3.46Å; L198-S202 PolarHBondContact O-N 2.98Å; L198-S202 PolarHBondContact O-OG 2.95Å; L199-S202 PolarHBondContact O-N 2.91Å; D200-S202 VanDerWaalsContact C-N 3.3Å; D200-S202 PolarHBondContact O-N 3.08Å; S202-L206 WeakPolarHBondContact O-CB 3.32Å; S202-L206 VanDerWaalsContact O-CG 3.24Å; S202-L206 WeakPolarHBondContact O-CG 3.12Å; S202-L206 PolarHBondContact O-N 2.88Å
203	N	90.3	Very high	91.7	Very high	90 Å²	90	57.6 Å²	57.6	48%	0.481	32%	0.315	S	S	.	.	H	α-helix	trans	-66.6	-46.3	177.6	-173.5	48.6	0	0	0	111.7	L199 D200 F205 L206 I207	L199-N203 PolarHBondContact O-N 2.75Å; D200-N203 PolarHBondContact O-N 3.36Å; N203-F205 VanDerWaalsContact C-N 3.33Å; N203-F205 PolarHBondContact O-N 2.59Å; N203-L206 PolarHBondContact O-N 3.21Å; N203-I207 WeakPolarHBondContact O-CG1 3.28Å; N203-I207 PolarHBondContact O-N 3.45Å
204	E	94.4	Very high	91.9	Very high	100 Å²	100	61 Å²	61	47%	0.467	32%	0.315	S	S	.	.	H	α-helix	trans	-56.9	-47	176	-174.8	-176.6	173.1	0	0	111.4	D200 G208	D200-E204 WeakPolarHBondContact O-CB 3.43Å; D200-E204 PolarHBondContact O-N 3.42Å; E204-G208 PolarHBondContact O-N 3.32Å
205	F	96.1	Very high	92	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-64.2	-45.5	178.6	-175	-88	0	0	0	112.2	L201 N203 I207 G208 S209 L264 L268 Q605 L606 I612	L201-F205 VanDerWaalsContact O-CB 3.28Å; L201-F205 WeakPolarHBondContact O-CB 3.48Å; L201-F205 PolarHBondContact O-N 3.37Å; N203-F205 VanDerWaalsContact C-N 3.33Å; N203-F205 PolarHBondContact O-N 2.59Å; F205-I207 PolarHBondContact O-N 3.22Å; F205-G208 PolarHBondContact O-N 3.36Å; F205-S209 VanDerWaalsContact O-CB 3.24Å; F205-S209 WeakPolarHBondContact O-CB 3.41Å; F205-S209 PolarHBondContact O-N 3.39Å; F205-S209 PolarHBondContact O-OG 3.41Å; F205-L264 HydrophobicContact CB-CD1 4.38Å; F205-L264 HydrophobicContact CD2-CD1 3.61Å; F205-L264 HydrophobicContact CD2-CG 4.18Å; F205-L264 HydrophobicContact CE2-CD1 4.17Å; F205-L264 HydrophobicContact CE2-CG 4.27Å; F205-L264 HydrophobicContact CG-CD1 4.21Å; F205-L268 HydrophobicContact CD2-CB 3.94Å; F205-L268 HydrophobicContact CD2-CD1 4.25Å; F205-L268 HydrophobicContact CE2-CB 3.73Å; F205-L268 HydrophobicContact CE2-CD1 3.88Å; F205-L268 HydrophobicContact CE2-CD2 3.99Å; F205-L268 HydrophobicContact CE2-CG 4.06Å; F205-L268 HydrophobicContact CZ-CD1 4.2Å; F205-L268 HydrophobicContact CZ-CD2 4.37Å; F205-Q605 WeakPolarHBondContact CZ-O 3.43Å; F205-L606 HydrophobicContact CE2-CD2 4.39Å; F205-I612 HydrophobicContact CB-CD1 4.18Å; F205-I612 HydrophobicContact CB-CG1 4.39Å; F205-I612 HydrophobicContact CD1-CD1 3.55Å; F205-I612 HydrophobicContact CD1-CG1 3.37Å; F205-I612 HydrophobicContact CE1-CD1 4.12Å; F205-I612 HydrophobicContact CE1-CG1 3.97Å; F205-I612 HydrophobicContact CG-CD1 3.94Å; F205-I612 HydrophobicContact CG-CG1 4.17Å
206	L	91.6	Very high	92.3	Very high	66 Å²	66	62.4 Å²	62.4	35%	0.346	33%	0.329	S	S	.	.	H	α-helix	trans	-59.5	-48.4	179.3	-76	172.3	0	0	0	111.1	S202 N203 S209 H210 I612	S202-L206 WeakPolarHBondContact O-CB 3.32Å; S202-L206 VanDerWaalsContact O-CG 3.24Å; S202-L206 WeakPolarHBondContact O-CG 3.12Å; S202-L206 PolarHBondContact O-N 2.88Å; N203-L206 PolarHBondContact O-N 3.21Å; L206-S209 PolarHBondContact O-N 2.93Å; L206-S209 PolarHBondContact O-OG 3.31Å; L206-H210 PolarHBondContact O-CD2 2.86Å; L206-I612 HydrophobicContact CD1-CG2 4.08Å; L206-I612 HydrophobicContact CD2-CB 4.03Å; L206-I612 HydrophobicContact CD2-CG1 4.11Å; L206-I612 HydrophobicContact CD2-CG2 4.43Å; L206-I612 HydrophobicContact CG-CB 4.21Å; L206-I612 HydrophobicContact CG-CG1 4.17Å; L206-I612 HydrophobicContact CG-CG2 4.13Å
207	I	89.3	Confident	92.6	Very high	105 Å²	105	61.8 Å²	61.8	54%	0.538	32%	0.319	S	S	.	.	H	α-helix	trans	-59.4	-52.5	176.3	-67	168.4	0	0	0	109.9	N203 F205 S209 H210 V211	N203-I207 WeakPolarHBondContact O-CG1 3.28Å; N203-I207 PolarHBondContact O-N 3.45Å; F205-I207 PolarHBondContact O-N 3.22Å; I207-S209 VanDerWaalsContact C-N 3.3Å; I207-S209 PolarHBondContact O-N 2.81Å; I207-H210 PolarHBondContact O-N 2.89Å; I207-V211 WeakPolarHBondContact O-CG2 3.46Å
208	G	92.4	Very high	92.6	Very high	17 Å²	17	63.2 Å²	63.2	18%	0.175	34%	0.34	C	S	.	.	H	α-helix	trans	-60.1	-36.2	-178	0	0	0	0	0	113.8	E204 F205 H210 V211 R607	E204-G208 PolarHBondContact O-N 3.32Å; F205-G208 PolarHBondContact O-N 3.36Å; G208-H210 PolarHBondContact O-N 2.69Å; G208-H210 VanDerWaalsContact O-N 3.15Å; G208-V211 PolarHBondContact O-N 2.93Å; G208-V211 VanDerWaalsContact O-N 3.09Å; G208-R607 PolarHBondContact O-NH1 3.43Å
209	S	92.4	Very high	92.6	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-63	-23.6	-176.9	74.1	0	0	0	0	113.5	F205 L206 I207 L606 R607	F205-S209 VanDerWaalsContact O-CB 3.24Å; F205-S209 WeakPolarHBondContact O-CB 3.41Å; F205-S209 PolarHBondContact O-N 3.39Å; F205-S209 PolarHBondContact O-OG 3.41Å; L206-S209 PolarHBondContact O-N 2.93Å; L206-S209 PolarHBondContact O-OG 3.31Å; I207-S209 VanDerWaalsContact C-N 3.3Å; I207-S209 PolarHBondContact O-N 2.81Å; S209-L606 WeakPolarHBondContact CA-O 3.42Å; S209-L606 VanDerWaalsContact CB-O 3.29Å; S209-L606 WeakPolarHBondContact CB-O 3.15Å; S209-R607 WeakPolarHBondContact O-CD 3.5Å; S209-R607 PolarHBondContact O-NH1 2.99Å
210	H	86.8	Confident	92.8	Very high	120 Å²	120	59.8 Å²	59.8	56%	0.556	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.4	-5.1	178.5	-63.1	-65.4	0	0	0	114	L206 I207 G208 P212	L206-H210 PolarHBondContact O-CD2 2.86Å; I207-H210 PolarHBondContact O-N 2.89Å; G208-H210 PolarHBondContact O-N 2.69Å; G208-H210 VanDerWaalsContact O-N 3.15Å; H210-P212 WeakPolarHBondContact O-CD 3.35Å
211	V	89.6	Confident	93	Very high	76 Å²	76	57.3 Å²	57.3	46%	0.461	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-70.2	122.2	-176.8	176.4	0	0	0	0	111.2	I207 G208 R607	I207-V211 WeakPolarHBondContact O-CG2 3.46Å; G208-V211 PolarHBondContact O-N 2.93Å; G208-V211 VanDerWaalsContact O-N 3.09Å; V211-R607 PolarHBondContact O-NH1 2.94Å; V211-R607 PolarHBondContact O-NH2 3.01Å
212	P	91.9	Very high	92.8	Very high	52 Å²	52	65.4 Å²	65.4	34%	0.338	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-59.6	145.4	175.4	-24.4	34.9	0	0	0	112.8	H210 Q236 I237	H210-P212 WeakPolarHBondContact O-CD 3.35Å; P212-Q236 HydrophobicContact CB-CB 4.29Å; P212-I237 WeakPolarHBondContact CA-O 3.47Å
213	N	93.6	Very high	92.7	Very high	29 Å²	29	70.2 Å²	70.2	16%	0.155	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	150.9	170.5	-81.6	-28.1	0	0	0	110.9	Q236 I237 I256 Y257 R607	N213-Q236 WeakPolarHBondContact O-CA 3.32Å; N213-I237 PolarHBondContact N-O 2.71Å; N213-I237 PolarHBondContact O-N 2.83Å; N213-I256 HydrophobicContact CB-CG2 4.04Å; N213-I256 WeakPolarHBondContact CB-O 3.3Å; N213-I256 PolarHBondContact ND2-O 3.21Å; N213-Y257 PolarHBondContact ND2-O 2.9Å; N213-Y257 VanDerWaalsContact ND2-O 3.13Å; N213-R607 PolarHBondContact ND2-NH2 3.4Å
214	R	93.3	Very high	92.9	Very high	131 Å²	131	66 Å²	66	49%	0.494	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	135.5	-175.2	-170.1	178.6	-176.2	-124.1	12.4	110.9	D231 F234 I235	R214-D231 IonicContact CZ-OD2 3.63Å; R214-D231 VanDerWaalsContact CZ-OD2 3.27Å; R214-D231 IonicContact NE-OD2 2.63Å; R214-D231 PolarHBondContact NE-OD2 3.25Å; R214-D231 IonicContact NH2-OD2 3.45Å; R214-D231 PolarHBondContact NH2-OD2 3.49Å; R214-F234 HydrophobicContact CG-CB 3.68Å; R214-F234 HydrophobicContact CG-CD1 3.9Å; R214-F234 HydrophobicContact CG-CG 4.04Å; R214-F234 VanDerWaalsContact NE-CB 3.29Å; R214-F234 VanDerWaalsContact NE-CG 3.34Å; R214-I235 WeakPolarHBondContact CA-O 3.41Å
215	I	94.8	Very high	92.8	Very high	44 Å²	44	62.8 Å²	62.8	23%	0.226	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	150.9	178.4	-164.7	169.3	0	0	0	111.4	K217 A219 I220 F234 I235 I256	I215-K217 PolarHBondContact O-N 3.5Å; I215-A219 HydrophobicContact CD1-CB 3.87Å; I215-A219 HydrophobicContact CG1-CB 3.98Å; I215-I220 HydrophobicContact CG2-CD1 3.67Å; I215-I220 HydrophobicContact CG2-CG1 4.04Å; I215-F234 CarbonylContact O-C 3.54Å; I215-F234 VanDerWaalsContact O-CA 3.25Å; I215-F234 WeakPolarHBondContact O-CA 3.49Å; I215-F234 WeakPolarHBondContact O-CB 3.49Å; I215-I235 HydrophobicContact CG2-CB 4.3Å; I215-I235 PolarHBondContact N-O 3.2Å; I215-I235 PolarHBondContact O-N 3.45Å; I215-I256 HydrophobicContact CB-CG2 4.5Å; I215-I256 HydrophobicContact CD1-CD1 3.51Å; I215-I256 HydrophobicContact CD1-CG1 4.11Å; I215-I256 HydrophobicContact CG2-CD1 4.16Å
216	A	95.8	Very high	92.6	Very high	38 Å²	38	68.5 Å²	68.5	31%	0.314	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.8	132.7	175	0	0	0	0	0	110.6	S218 A219	A216-S218 PolarHBondContact O-N 3.48Å; A216-S218 VanDerWaalsContact O-N 3.14Å; A216-A219 VanDerWaalsContact O-CB 3.31Å; A216-A219 WeakPolarHBondContact O-CB 3.35Å; A216-A219 PolarHBondContact O-N 2.97Å
217	K	93.7	Very high	92.6	Very high	68 Å²	68	70 Å²	70	30%	0.296	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-57.9	-31.7	-178.9	-174.6	165.7	-172.8	165.9	0	112.5	I215 A219 I220 Q225 S230 S233 I235	I215-K217 PolarHBondContact O-N 3.5Å; K217-A219 PolarHBondContact O-N 3.27Å; K217-I220 PolarHBondContact O-N 3.32Å; K217-Q225 HydrophobicContact CG-CG 4.45Å; K217-Q225 VanDerWaalsContact CG-OE1 3.32Å; K217-Q225 PolarHBondContact O-NE2 3.48Å; K217-S230 PolarHBondContact NZ-OG 3.16Å; K217-S233 WeakPolarHBondContact CB-O 3.44Å; K217-S233 PolarHBondContact N-O 3.18Å; K217-I235 HydrophobicContact CB-CD1 4.37Å; K217-I235 HydrophobicContact CB-CG1 4.29Å; K217-I235 HydrophobicContact CG-CD1 3.95Å; K217-I235 HydrophobicContact CG-CG1 4.2Å
218	S	94.4	Very high	92.8	Very high	115 Å²	115	65.9 Å²	65.9	80%	0.804	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-65.6	-19.3	175.9	53.8	0	0	0	0	114.4	A216	A216-S218 PolarHBondContact O-N 3.48Å; A216-S218 VanDerWaalsContact O-N 3.14Å
219	A	93.6	Very high	92.7	Very high	63 Å²	63	67.7 Å²	67.7	52%	0.521	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-82	-14.9	178.3	0	0	0	0	0	113.1	I215 A216 K217	I215-A219 HydrophobicContact CD1-CB 3.87Å; I215-A219 HydrophobicContact CG1-CB 3.98Å; A216-A219 VanDerWaalsContact O-CB 3.31Å; A216-A219 WeakPolarHBondContact O-CB 3.35Å; A216-A219 PolarHBondContact O-N 2.97Å; K217-A219 PolarHBondContact O-N 3.27Å
220	I	93.7	Very high	92.6	Very high	5 Å²	5	71.1 Å²	71.1	3%	0.026	39%	0.393	C	S	.	.	S	Bend	trans	-104.8	131.9	178.7	-59.1	-171.8	0	0	0	109.7	I215 K217 K222 L224 Q225 F228 I235 I237 I252	I215-I220 HydrophobicContact CG2-CD1 3.67Å; I215-I220 HydrophobicContact CG2-CG1 4.04Å; K217-I220 PolarHBondContact O-N 3.32Å; I220-K222 PolarHBondContact O-N 3.26Å; I220-L224 HydrophobicContact CG2-CB 4Å; I220-Q225 HydrophobicContact CB-CG 4.19Å; I220-Q225 HydrophobicContact CG2-CG 3.97Å; I220-Q225 PolarHBondContact O-NE2 2.96Å; I220-F228 HydrophobicContact CD1-CD2 4.07Å; I220-F228 HydrophobicContact CD1-CE2 4.09Å; I220-F228 HydrophobicContact CG2-CE2 4.41Å; I220-I235 HydrophobicContact CB-CD1 4.16Å; I220-I235 HydrophobicContact CD1-CB 4.11Å; I220-I235 HydrophobicContact CD1-CD1 3.82Å; I220-I235 HydrophobicContact CD1-CG2 3.87Å; I220-I235 HydrophobicContact CG1-CD1 4.37Å; I220-I235 HydrophobicContact CG2-CD1 4.49Å; I220-I237 HydrophobicContact CD1-CD1 4.02Å; I220-I252 HydrophobicContact CD1-CG2 4.29Å; I220-I252 HydrophobicContact CG1-CG2 4.48Å
221	P	94.4	Very high	92.7	Very high	47 Å²	47	68.4 Å²	68.4	31%	0.305	38%	0.383	S	S	.	.			trans	-52.1	133.3	174	-26.9	34.9	0	0	0	112.4	H223 L224 Q225 L248 I252	P221-H223 PolarHBondContact O-N 3.4Å; P221-L224 HydrophobicContact CB-CD1 4.45Å; P221-L224 HydrophobicContact CB-CG 4.45Å; P221-L224 HydrophobicContact CG-CD1 4.32Å; P221-L224 PolarHBondContact O-N 3.31Å; P221-Q225 PolarHBondContact O-N 3.07Å; P221-L248 HydrophobicContact CG-CD2 4.31Å; P221-I252 HydrophobicContact CG-CD1 4.5Å
222	K	92.3	Very high	92.8	Very high	187 Å²	187	67.8 Å²	67.8	81%	0.813	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.3	-39.1	-172.3	-74.5	-175.5	178.8	178.7	0	114.5	I220 L224 Q225	I220-K222 PolarHBondContact O-N 3.26Å; K222-L224 VanDerWaalsContact C-N 3.28Å; K222-L224 PolarHBondContact O-N 3.07Å; K222-Q225 PolarHBondContact O-N 3.1Å
223	H	93	Very high	92.9	Very high	122 Å²	122	69.3 Å²	69.3	57%	0.565	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-23.6	-179.1	67.2	-82.1	0	0	0	113.2	P221 V226	P221-H223 PolarHBondContact O-N 3.4Å; H223-V226 WeakPolarHBondContact O-CG1 3.46Å
224	L	93.5	Very high	93	Very high	1 Å²	1	71 Å²	71	1%	0.005	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-17.2	179.6	-60.9	-176.8	0	0	0	113.5	I220 P221 K222 V226 H227 D246 L248 L249 I252	I220-L224 HydrophobicContact CG2-CB 4Å; P221-L224 HydrophobicContact CB-CD1 4.45Å; P221-L224 HydrophobicContact CB-CG 4.45Å; P221-L224 HydrophobicContact CG-CD1 4.32Å; P221-L224 PolarHBondContact O-N 3.31Å; K222-L224 VanDerWaalsContact C-N 3.28Å; K222-L224 PolarHBondContact O-N 3.07Å; L224-V226 PolarHBondContact O-N 3.5Å; L224-V226 VanDerWaalsContact O-N 3.13Å; L224-H227 PolarHBondContact O-N 3.26Å; L224-H227 VanDerWaalsContact O-N 3.09Å; L224-D246 WeakPolarHBondContact CD2-OD2 3.34Å; L224-L248 HydrophobicContact CD1-CB 4.35Å; L224-L248 HydrophobicContact CD1-CD2 3.94Å; L224-L248 HydrophobicContact CD1-CG 3.89Å; L224-L249 HydrophobicContact CB-CD1 4.42Å; L224-L249 HydrophobicContact CD2-CB 4.3Å; L224-I252 HydrophobicContact CD1-CD1 3.79Å
225	Q	92.5	Very high	93	Very high	33 Å²	33	64.8 Å²	64.8	15%	0.154	39%	0.386	C	S	.	.	G	3₁₀ helix	trans	-60.2	-26.8	-176.8	-61.5	179.5	3.8	0	0	113	K217 I220 P221 K222 H227 F228 I235	K217-Q225 HydrophobicContact CG-CG 4.45Å; K217-Q225 VanDerWaalsContact CG-OE1 3.32Å; K217-Q225 PolarHBondContact O-NE2 3.48Å; I220-Q225 HydrophobicContact CB-CG 4.19Å; I220-Q225 HydrophobicContact CG2-CG 3.97Å; I220-Q225 PolarHBondContact O-NE2 2.96Å; P221-Q225 PolarHBondContact O-N 3.07Å; K222-Q225 PolarHBondContact O-N 3.1Å; Q225-H227 PolarHBondContact O-N 3.43Å; Q225-F228 PolarHBondContact O-N 3.2Å; Q225-I235 HydrophobicContact CB-CD1 3.73Å; Q225-I235 HydrophobicContact CG-CD1 3.59Å
226	V	92.3	Very high	93	Very high	119 Å²	119	66.5 Å²	66.5	72%	0.721	39%	0.393	S	S	*	.	G	3₁₀ helix	trans	-66	-22.3	179	66.8	0	0	0	0	113.3	H223 L224 F228	H223-V226 WeakPolarHBondContact O-CG1 3.46Å; L224-V226 PolarHBondContact O-N 3.5Å; L224-V226 VanDerWaalsContact O-N 3.13Å; V226-F228 VanDerWaalsContact C-N 3.28Å; V226-F228 PolarHBondContact O-N 2.98Å
227	H	91.8	Very high	92.9	Very high	98 Å²	98	64.7 Å²	64.7	45%	0.454	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-81.7	-8.6	-178.6	-64	-73.3	0	0	0	113.5	L224 Q225 H241 L249	L224-H227 PolarHBondContact O-N 3.26Å; L224-H227 VanDerWaalsContact O-N 3.09Å; Q225-H227 PolarHBondContact O-N 3.43Å; H227-H241 PolarHBondContact O-CE1 3.48Å; H227-L249 HydrophobicContact CB-CD1 3.94Å; H227-L249 HydrophobicContact CB-CD2 3.8Å
228	F	93.1	Very high	92.7	Very high	18 Å²	18	63.6 Å²	63.6	8%	0.079	39%	0.386	C	S	.	.	S	Bend	trans	-121.1	158.9	-175.8	-57.5	-68.5	0	0	0	111.6	I220 Q225 V226 S230 I235 I237 H241 L249 I252 A253	I220-F228 HydrophobicContact CD1-CD2 4.07Å; I220-F228 HydrophobicContact CD1-CE2 4.09Å; I220-F228 HydrophobicContact CG2-CE2 4.41Å; Q225-F228 PolarHBondContact O-N 3.2Å; V226-F228 VanDerWaalsContact C-N 3.28Å; V226-F228 PolarHBondContact O-N 2.98Å; F228-S230 PolarHBondContact O-N 2.82Å; F228-I235 HydrophobicContact CB-CG2 3.22Å; F228-I235 HydrophobicContact CD2-CG2 4.05Å; F228-I235 HydrophobicContact CG-CG2 3.81Å; F228-I237 HydrophobicContact CD1-CB 4.4Å; F228-I237 HydrophobicContact CD1-CD1 4.23Å; F228-I237 HydrophobicContact CD1-CG1 3.75Å; F228-I237 HydrophobicContact CD1-CG2 4.31Å; F228-I237 HydrophobicContact CE1-CB 4.43Å; F228-I237 HydrophobicContact CE1-CD1 3.89Å; F228-I237 HydrophobicContact CE1-CG1 3.86Å; F228-I237 HydrophobicContact CE1-CG2 3.94Å; F228-I237 HydrophobicContact CE2-CD1 4.3Å; F228-I237 HydrophobicContact CG-CG1 4.15Å; F228-I237 HydrophobicContact CZ-CD1 3.91Å; F228-I237 HydrophobicContact CZ-CG1 4.35Å; F228-H241 AromaticContact CD1-NE2 3.43Å; F228-H241 WeakPolarHBondContact CD1-NE2 3.08Å; F228-H241 AromaticContact CE1-CD2 3.48Å; F228-H241 VanDerWaalsContact CE1-CD2 3.48Å; F228-H241 WeakPolarHBondContact CE1-CD2 3.26Å; F228-H241 AromaticContact CE1-NE2 3.36Å; F228-H241 WeakPolarHBondContact CE1-NE2 3.33Å; F228-L249 HydrophobicContact CD2-CD1 4.44Å; F228-L249 HydrophobicContact CE1-CD1 4.14Å; F228-L249 HydrophobicContact CE2-CD1 3.45Å; F228-L249 VanDerWaalsContact CE2-CD1 3.45Å; F228-L249 HydrophobicContact CZ-CD1 3.29Å; F228-L249 HydrophobicContact CZ-CG 4.5Å; F228-I252 HydrophobicContact CE2-CG2 4.24Å; F228-I252 HydrophobicContact CZ-CG2 4.14Å; F228-A253 HydrophobicContact CE1-CB 4.1Å; F228-A253 HydrophobicContact CZ-CB 4.22Å
229	A	91	Very high	92.6	Very high	56 Å²	56	59.2 Å²	59.2	46%	0.463	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	126.3	175.8	0	0	0	0	0	110.4	I235 Q236	A229-I235 WeakPolarHBondContact O-CA 3.49Å; A229-Q236 HydrophobicContact CB-CB 4.27Å; A229-Q236 PolarHBondContact N-O 2.99Å; A229-Q236 PolarHBondContact O-N 3.29Å
230	S	90	Very high	92.6	Very high	72 Å²	72	59.1 Å²	59.1	50%	0.503	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	134.9	177.7	-165	0	0	0	0	110.4	K217 F228	K217-S230 PolarHBondContact NZ-OG 3.16Å; F228-S230 PolarHBondContact O-N 2.82Å
231	D	89.6	Confident	92.6	Very high	63 Å²	63	62 Å²	62	34%	0.337	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	82.5	174.7	170.7	35.1	0	0	0	109	R214 S233 F234 Q236	R214-D231 IonicContact CZ-OD2 3.63Å; R214-D231 VanDerWaalsContact CZ-OD2 3.27Å; R214-D231 IonicContact NE-OD2 2.63Å; R214-D231 PolarHBondContact NE-OD2 3.25Å; R214-D231 IonicContact NH2-OD2 3.45Å; R214-D231 PolarHBondContact NH2-OD2 3.49Å; D231-S233 PolarHBondContact O-N 3.22Å; D231-S233 VanDerWaalsContact O-N 3.15Å; D231-F234 CarbonylContact C-O 3.58Å; D231-F234 PolarHBondContact N-O 3.32Å; D231-F234 WeakPolarHBondContact O-CA 3.47Å; D231-F234 WeakPolarHBondContact O-CB 3.29Å; D231-F234 PolarHBondContact O-N 3.29Å; D231-Q236 HydrophobicContact CB-CG 4.3Å
232	G	91	Very high	92.4	Very high	63 Å²	63	60.8 Å²	60.8	65%	0.649	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.7	-117.8	-176.2	0	0	0	0	0	112.9	F234	G232-F234 PolarHBondContact O-N 3.42Å
233	S	93.8	Very high	92.3	Very high	83 Å²	83	58.1 Å²	58.1	58%	0.58	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	4.1	176.2	53.2	0	0	0	0	114.1	K217 D231	K217-S233 WeakPolarHBondContact CB-O 3.44Å; K217-S233 PolarHBondContact N-O 3.18Å; D231-S233 PolarHBondContact O-N 3.22Å; D231-S233 VanDerWaalsContact O-N 3.15Å
234	F	95.3	Very high	92.3	Very high	64 Å²	64	53.1 Å²	53.1	28%	0.281	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	166	-177.8	-63.7	-99.1	0	0	0	111.9	R214 I215 D231 G232	R214-F234 HydrophobicContact CG-CB 3.68Å; R214-F234 HydrophobicContact CG-CD1 3.9Å; R214-F234 HydrophobicContact CG-CG 4.04Å; R214-F234 VanDerWaalsContact NE-CB 3.29Å; R214-F234 VanDerWaalsContact NE-CG 3.34Å; I215-F234 CarbonylContact O-C 3.54Å; I215-F234 VanDerWaalsContact O-CA 3.25Å; I215-F234 WeakPolarHBondContact O-CA 3.49Å; I215-F234 WeakPolarHBondContact O-CB 3.49Å; D231-F234 CarbonylContact C-O 3.58Å; D231-F234 PolarHBondContact N-O 3.32Å; D231-F234 WeakPolarHBondContact O-CA 3.47Å; D231-F234 WeakPolarHBondContact O-CB 3.29Å; D231-F234 PolarHBondContact O-N 3.29Å; G232-F234 PolarHBondContact O-N 3.42Å
235	I	94.5	Very high	92.2	Very high	1 Å²	1	58.1 Å²	58.1	1%	0.005	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	137.5	173.5	-72.4	175	0	0	0	108.4	R214 I215 K217 I220 Q225 F228 A229 I237	R214-I235 WeakPolarHBondContact CA-O 3.41Å; I215-I235 HydrophobicContact CG2-CB 4.3Å; I215-I235 PolarHBondContact N-O 3.2Å; I215-I235 PolarHBondContact O-N 3.45Å; K217-I235 HydrophobicContact CB-CD1 4.37Å; K217-I235 HydrophobicContact CB-CG1 4.29Å; K217-I235 HydrophobicContact CG-CD1 3.95Å; K217-I235 HydrophobicContact CG-CG1 4.2Å; I220-I235 HydrophobicContact CB-CD1 4.16Å; I220-I235 HydrophobicContact CD1-CB 4.11Å; I220-I235 HydrophobicContact CD1-CD1 3.82Å; I220-I235 HydrophobicContact CD1-CG2 3.87Å; I220-I235 HydrophobicContact CG1-CD1 4.37Å; I220-I235 HydrophobicContact CG2-CD1 4.49Å; Q225-I235 HydrophobicContact CB-CD1 3.73Å; Q225-I235 HydrophobicContact CG-CD1 3.59Å; F228-I235 HydrophobicContact CB-CG2 3.22Å; F228-I235 HydrophobicContact CD2-CG2 4.05Å; F228-I235 HydrophobicContact CG-CG2 3.81Å; A229-I235 WeakPolarHBondContact O-CA 3.49Å; I235-I237 HydrophobicContact CG2-CG1 4.14Å
236	Q	94.4	Very high	92.2	Very high	81 Å²	81	59.2 Å²	59.2	38%	0.379	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	128.3	171.5	-68.8	-176.2	-39.6	0	0	110.3	P212 N213 A229 D231	P212-Q236 HydrophobicContact CB-CB 4.29Å; N213-Q236 WeakPolarHBondContact O-CA 3.32Å; A229-Q236 HydrophobicContact CB-CB 4.27Å; A229-Q236 PolarHBondContact N-O 2.99Å; A229-Q236 PolarHBondContact O-N 3.29Å; D231-Q236 HydrophobicContact CB-CG 4.3Å
237	I	93.6	Very high	92.3	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	104.8	176	-57.9	-171.4	0	0	0	107.3	P212 N213 I220 F228 I235 I252 A253 I256 Y257	P212-I237 WeakPolarHBondContact CA-O 3.47Å; N213-I237 PolarHBondContact N-O 2.71Å; N213-I237 PolarHBondContact O-N 2.83Å; I220-I237 HydrophobicContact CD1-CD1 4.02Å; F228-I237 HydrophobicContact CD1-CB 4.4Å; F228-I237 HydrophobicContact CD1-CD1 4.23Å; F228-I237 HydrophobicContact CD1-CG1 3.75Å; F228-I237 HydrophobicContact CD1-CG2 4.31Å; F228-I237 HydrophobicContact CE1-CB 4.43Å; F228-I237 HydrophobicContact CE1-CD1 3.89Å; F228-I237 HydrophobicContact CE1-CG1 3.86Å; F228-I237 HydrophobicContact CE1-CG2 3.94Å; F228-I237 HydrophobicContact CE2-CD1 4.3Å; F228-I237 HydrophobicContact CG-CG1 4.15Å; F228-I237 HydrophobicContact CZ-CD1 3.91Å; F228-I237 HydrophobicContact CZ-CG1 4.35Å; I235-I237 HydrophobicContact CG2-CG1 4.14Å; I237-I252 HydrophobicContact CD1-CG2 4.2Å; I237-A253 HydrophobicContact CG2-CB 4.42Å; I237-I256 HydrophobicContact CB-CG2 4.22Å; I237-I256 HydrophobicContact CD1-CB 3.73Å; I237-I256 HydrophobicContact CD1-CD1 3.51Å; I237-I256 HydrophobicContact CD1-CG1 4.22Å; I237-I256 HydrophobicContact CD1-CG2 3.75Å; I237-I256 HydrophobicContact CG1-CG2 4.27Å; I237-Y257 WeakPolarHBondContact O-CD2 3.49Å
238	G	89.9	Confident	92.3	Very high	45 Å²	45	53.5 Å²	53.5	46%	0.464	34%	0.337	S	S	.	.			trans	-104.6	6.9	-176.6	0	0	0	0	0	114.5	Y257	G238-Y257 WeakPolarHBondContact O-CE2 3.1Å
239	G	91.2	Very high	92.5	Very high	22 Å²	22	52.7 Å²	52.7	23%	0.227	33%	0.334	C	S	.	.	S	Bend	trans	-166.6	173.8	-178.8	0	0	0	0	0	113.2	H241	G239-H241 PolarHBondContact O-CD2 3.18Å
240	L	93.1	Very high	92.7	Very high	61 Å²	61	50 Å²	50	32%	0.319	31%	0.312	S	S	.	.			trans	-81.9	-16.5	-172.8	-66.9	173.1	0	0	0	114.3	A242 A253 Y254 Y257 L258	L240-A242 HydrophobicContact CB-CB 4.21Å; L240-A242 PolarHBondContact O-N 3.09Å; L240-A242 VanDerWaalsContact O-N 3.12Å; L240-A253 VanDerWaalsContact O-CB 3.26Å; L240-A253 WeakPolarHBondContact O-CB 3.28Å; L240-Y254 HydrophobicContact CD2-CD2 3.92Å; L240-Y254 HydrophobicContact CD2-CG 4.46Å; L240-Y257 HydrophobicContact CD2-CD1 3.7Å; L240-Y257 HydrophobicContact CD2-CE1 4.5Å; L240-Y257 HydrophobicContact CG-CD1 3.96Å; L240-Y257 HydrophobicContact CG-CE1 4.38Å; L240-L258 HydrophobicContact CD2-CD1 4.11Å; L240-L258 HydrophobicContact CD2-CD2 4.17Å; L240-L258 HydrophobicContact CD2-CG 3.99Å
241	H	93.3	Very high	93	Very high	67 Å²	67	48.7 Å²	48.7	31%	0.31	30%	0.298	S	S	.	.			trans	48.9	35.7	-171.5	-67.2	-97.7	0	0	0	112.8	H227 F228 G239 D243 S244 L249 A253	H227-H241 PolarHBondContact O-CE1 3.48Å; F228-H241 AromaticContact CD1-NE2 3.43Å; F228-H241 WeakPolarHBondContact CD1-NE2 3.08Å; F228-H241 AromaticContact CE1-CD2 3.48Å; F228-H241 VanDerWaalsContact CE1-CD2 3.48Å; F228-H241 WeakPolarHBondContact CE1-CD2 3.26Å; F228-H241 AromaticContact CE1-NE2 3.36Å; F228-H241 WeakPolarHBondContact CE1-NE2 3.33Å; G239-H241 PolarHBondContact O-CD2 3.18Å; H241-D243 PolarHBondContact O-N 3.26Å; H241-S244 VanDerWaalsContact O-CB 3.29Å; H241-S244 WeakPolarHBondContact O-CB 3.25Å; H241-S244 PolarHBondContact O-N 2.93Å; H241-L249 HydrophobicContact CB-CG 4.43Å; H241-A253 HydrophobicContact CB-CB 3.94Å
242	A	91.6	Very high	93.3	Very high	21 Å²	21	46.9 Å²	46.9	17%	0.174	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-20.3	-165.7	0	0	0	0	0	114.2	L240 R250 P345 F346	L240-A242 HydrophobicContact CB-CB 4.21Å; L240-A242 PolarHBondContact O-N 3.09Å; L240-A242 VanDerWaalsContact O-N 3.12Å; A242-R250 WeakPolarHBondContact O-CD 3.5Å; A242-P345 HydrophobicContact CB-CB 3.91Å; A242-P345 HydrophobicContact CB-CG 4.01Å; A242-F346 WeakPolarHBondContact O-CB 3.36Å; A242-F346 PolarHBondContact O-N 3.23Å
243	D	89.1	Confident	93.6	Very high	131 Å²	131	43.9 Å²	43.9	70%	0.701	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	1.3	179.8	-51.7	-49.6	0	0	0	113.6	H241	H241-D243 PolarHBondContact O-N 3.26Å
244	S	93.3	Very high	93.8	Very high	16 Å²	16	40.9 Å²	40.9	11%	0.112	23%	0.233	C	C	.	.			trans	-64.5	137.2	-179.2	167.3	0	0	0	0	111.8	H241 D246 L249 R250 F346	H241-S244 VanDerWaalsContact O-CB 3.29Å; H241-S244 WeakPolarHBondContact O-CB 3.25Å; H241-S244 PolarHBondContact O-N 2.93Å; S244-D246 PolarHBondContact O-N 3.25Å; S244-D246 PolarHBondContact OG-N 3.45Å; S244-D246 PolarHBondContact OG-O 3.15Å; S244-L249 WeakPolarHBondContact OG-CD2 3.49Å; S244-R250 VanDerWaalsContact O-CD 3.3Å; S244-R250 WeakPolarHBondContact O-CD 3.14Å; S244-R250 PolarHBondContact O-NH1 3.37Å; S244-F346 VanDerWaalsContact O-CD2 3.32Å; S244-F346 WeakPolarHBondContact O-CD2 3.41Å
245	P	91.9	Very high	93.8	Very high	106 Å²	106	42 Å²	42	69%	0.688	24%	0.235	S	C	*	.	S	Bend	trans	-71.8	-17.4	172.1	31.6	-35.6	0	0	0	113.8	F346	P245-F346 HydrophobicContact CB-CE2 4.13Å; P245-F346 HydrophobicContact CB-CZ 4.1Å
246	D	92.9	Very high	93.9	Very high	56 Å²	56	43.3 Å²	43.3	30%	0.299	24%	0.242	S	C	.	.			trans	-84.9	113.1	176.9	-171.8	-42.7	0	0	0	110.8	L224 S244 L248 L249 R250	L224-D246 WeakPolarHBondContact CD2-OD2 3.34Å; S244-D246 PolarHBondContact O-N 3.25Å; S244-D246 PolarHBondContact OG-N 3.45Å; S244-D246 PolarHBondContact OG-O 3.15Å; D246-L248 VanDerWaalsContact C-N 3.32Å; D246-L248 PolarHBondContact O-N 3.3Å; D246-L248 WeakPolarHBondContact OD1-CA 3.39Å; D246-L248 WeakPolarHBondContact OD1-CB 3.48Å; D246-L248 PolarHBondContact OD1-N 3.04Å; D246-L249 HydrophobicContact CB-CB 3.88Å; D246-L249 PolarHBondContact O-N 3.03Å; D246-L249 PolarHBondContact OD1-N 3.04Å; D246-R250 PolarHBondContact O-N 3.1Å; D246-R250 VanDerWaalsContact O-N 3.16Å
247	D	92.9	Very high	94	Very high	23 Å²	23	40.8 Å²	40.8	12%	0.123	23%	0.229	C	C	.	.	H	α-helix	trans	-56.6	-41.7	178	-73	12.2	0	0	0	113	R250 E251 N333	D247-R250 VanDerWaalsContact CG-NH2 3.34Å; D247-R250 PolarHBondContact O-N 2.77Å; D247-R250 IonicContact OD1-CZ 2.89Å; D247-R250 IonicContact OD1-NH1 2.63Å; D247-R250 PolarHBondContact OD1-NH1 3.29Å; D247-R250 IonicContact OD1-NH2 2.81Å; D247-R250 PolarHBondContact OD1-NH2 3.12Å; D247-E251 PolarHBondContact O-N 3.42Å; D247-N333 PolarHBondContact OD2-ND2 3.08Å
248	L	93.8	Very high	94.2	Very high	74 Å²	74	40.9 Å²	40.9	39%	0.387	23%	0.23	S	C	.	.	H	α-helix	trans	-71.2	-36	-177.9	-178.9	61	0	0	0	110.4	P221 L224 D246 E251 I252	P221-L248 HydrophobicContact CG-CD2 4.31Å; L224-L248 HydrophobicContact CD1-CB 4.35Å; L224-L248 HydrophobicContact CD1-CD2 3.94Å; L224-L248 HydrophobicContact CD1-CG 3.89Å; D246-L248 VanDerWaalsContact C-N 3.32Å; D246-L248 PolarHBondContact O-N 3.3Å; D246-L248 WeakPolarHBondContact OD1-CA 3.39Å; D246-L248 WeakPolarHBondContact OD1-CB 3.48Å; D246-L248 PolarHBondContact OD1-N 3.04Å; L248-E251 PolarHBondContact O-N 3.25Å; L248-I252 HydrophobicContact CD1-CD1 3.99Å; L248-I252 HydrophobicContact CD1-CG1 4.11Å; L248-I252 HydrophobicContact CD2-CD1 4.47Å; L248-I252 HydrophobicContact CG-CD1 3.82Å; L248-I252 HydrophobicContact CG-CG1 4.35Å; L248-I252 WeakPolarHBondContact O-CB 3.44Å; L248-I252 VanDerWaalsContact O-CG1 3.24Å; L248-I252 WeakPolarHBondContact O-CG1 3.42Å; L248-I252 PolarHBondContact O-N 3.49Å
249	L	95.7	Very high	94.5	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.01	23%	0.234	C	C	.	.	H	α-helix	trans	-61.8	-45.8	173.7	-175.8	61.1	0	0	0	111.4	L224 H227 F228 H241 S244 D246 I252 A253	L224-L249 HydrophobicContact CB-CD1 4.42Å; L224-L249 HydrophobicContact CD2-CB 4.3Å; H227-L249 HydrophobicContact CB-CD1 3.94Å; H227-L249 HydrophobicContact CB-CD2 3.8Å; F228-L249 HydrophobicContact CD2-CD1 4.44Å; F228-L249 HydrophobicContact CE1-CD1 4.14Å; F228-L249 HydrophobicContact CE2-CD1 3.45Å; F228-L249 VanDerWaalsContact CE2-CD1 3.45Å; F228-L249 HydrophobicContact CZ-CD1 3.29Å; F228-L249 HydrophobicContact CZ-CG 4.5Å; H241-L249 HydrophobicContact CB-CG 4.43Å; S244-L249 WeakPolarHBondContact OG-CD2 3.49Å; D246-L249 HydrophobicContact CB-CB 3.88Å; D246-L249 PolarHBondContact O-N 3.03Å; D246-L249 PolarHBondContact OD1-N 3.04Å; L249-I252 PolarHBondContact O-N 3.17Å; L249-A253 VanDerWaalsContact O-CB 3.25Å; L249-A253 WeakPolarHBondContact O-CB 3.46Å; L249-A253 PolarHBondContact O-N 3.34Å
250	R	96.5	Very high	94.7	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-60.5	-45.5	176.8	-64.4	-163.2	-55	-77.8	-3.5	111.5	A242 S244 D246 D247 Y254 W342 D343 F346	A242-R250 WeakPolarHBondContact O-CD 3.5Å; S244-R250 VanDerWaalsContact O-CD 3.3Å; S244-R250 WeakPolarHBondContact O-CD 3.14Å; S244-R250 PolarHBondContact O-NH1 3.37Å; D246-R250 PolarHBondContact O-N 3.1Å; D246-R250 VanDerWaalsContact O-N 3.16Å; D247-R250 VanDerWaalsContact CG-NH2 3.34Å; D247-R250 PolarHBondContact O-N 2.77Å; D247-R250 IonicContact OD1-CZ 2.89Å; D247-R250 IonicContact OD1-NH1 2.63Å; D247-R250 PolarHBondContact OD1-NH1 3.29Å; D247-R250 IonicContact OD1-NH2 2.81Å; D247-R250 PolarHBondContact OD1-NH2 3.12Å; R250-Y254 VanDerWaalsContact O-CB 3.23Å; R250-Y254 WeakPolarHBondContact O-CB 3.26Å; R250-Y254 PolarHBondContact O-N 3.32Å; R250-W342 HydrophobicContact CB-CB 4.29Å; R250-W342 HydrophobicContact CB-CG 4.41Å; R250-W342 WeakPolarHBondContact CD-O 3.24Å; R250-W342 PolarHBondContact NE-O 3.16Å; R250-D343 IonicContact CZ-OD1 3.51Å; R250-D343 IonicContact NE-OD1 2.64Å; R250-D343 IonicContact NH2-OD1 3.27Å; R250-D343 PolarHBondContact NH2-OD1 3.11Å; R250-F346 VanDerWaalsContact CZ-CD1 3.49Å
251	E	95.9	Very high	94.8	Very high	44 Å²	44	46.7 Å²	46.7	21%	0.206	24%	0.238	C	C	.	.	H	α-helix	trans	-63.4	-48	178.6	-179.1	170	-172.6	0	0	112.4	D247 L248 A253 Y254 R255 W342	D247-E251 PolarHBondContact O-N 3.42Å; L248-E251 PolarHBondContact O-N 3.25Å; E251-A253 PolarHBondContact O-N 3.19Å; E251-Y254 PolarHBondContact O-N 2.98Å; E251-R255 HydrophobicContact CG-CG 4.36Å; E251-R255 WeakPolarHBondContact O-CB 3.45Å; E251-R255 WeakPolarHBondContact O-CG 3.45Å; E251-R255 PolarHBondContact O-N 3.31Å; E251-R255 IonicContact OE1-CZ 3.58Å; E251-R255 VanDerWaalsContact OE1-CZ 3.3Å; E251-R255 IonicContact OE1-NE 3.67Å; E251-R255 PolarHBondContact OE1-NE 3.15Å; E251-R255 IonicContact OE1-NH2 3.15Å; E251-R255 PolarHBondContact OE1-NH2 3.43Å; E251-W342 HydrophobicContact CB-CD2 4.21Å; E251-W342 HydrophobicContact CB-CZ2 3.92Å; E251-W342 VanDerWaalsContact CD-CZ2 3.44Å; E251-W342 HydrophobicContact CG-CD2 4.37Å; E251-W342 HydrophobicContact CG-CH2 3.85Å; E251-W342 HydrophobicContact CG-CZ2 3.56Å; E251-W342 HydrophobicContact CG-CZ3 4.37Å
252	I	96	Very high	94.9	Very high	25 Å²	25	47.1 Å²	47.1	13%	0.128	25%	0.253	C	S	.	.	H	α-helix	trans	-59.7	-48.4	178.8	-73.2	173.5	0	0	0	110.2	I220 P221 L224 F228 I237 L248 L249 I256	I220-I252 HydrophobicContact CD1-CG2 4.29Å; I220-I252 HydrophobicContact CG1-CG2 4.48Å; P221-I252 HydrophobicContact CG-CD1 4.5Å; L224-I252 HydrophobicContact CD1-CD1 3.79Å; F228-I252 HydrophobicContact CE2-CG2 4.24Å; F228-I252 HydrophobicContact CZ-CG2 4.14Å; I237-I252 HydrophobicContact CD1-CG2 4.2Å; L248-I252 HydrophobicContact CD1-CD1 3.99Å; L248-I252 HydrophobicContact CD1-CG1 4.11Å; L248-I252 HydrophobicContact CD2-CD1 4.47Å; L248-I252 HydrophobicContact CG-CD1 3.82Å; L248-I252 HydrophobicContact CG-CG1 4.35Å; L248-I252 WeakPolarHBondContact O-CB 3.44Å; L248-I252 VanDerWaalsContact O-CG1 3.24Å; L248-I252 WeakPolarHBondContact O-CG1 3.42Å; L248-I252 PolarHBondContact O-N 3.49Å; L249-I252 PolarHBondContact O-N 3.17Å; I252-I256 HydrophobicContact CG2-CD1 3.65Å; I252-I256 WeakPolarHBondContact O-CB 3.47Å; I252-I256 WeakPolarHBondContact O-CG1 3.32Å; I252-I256 PolarHBondContact O-N 3.02Å; I252-I256 VanDerWaalsContact O-N 3.09Å
253	A	96.7	Very high	95.1	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-60.1	-48.2	178.3	0	0	0	0	0	111.2	F228 I237 L240 H241 L249 E251 Y257	F228-A253 HydrophobicContact CE1-CB 4.1Å; F228-A253 HydrophobicContact CZ-CB 4.22Å; I237-A253 HydrophobicContact CG2-CB 4.42Å; L240-A253 VanDerWaalsContact O-CB 3.26Å; L240-A253 WeakPolarHBondContact O-CB 3.28Å; H241-A253 HydrophobicContact CB-CB 3.94Å; L249-A253 VanDerWaalsContact O-CB 3.25Å; L249-A253 WeakPolarHBondContact O-CB 3.46Å; L249-A253 PolarHBondContact O-N 3.34Å; E251-A253 PolarHBondContact O-N 3.19Å; A253-Y257 WeakPolarHBondContact O-CB 3.43Å; A253-Y257 PolarHBondContact O-N 3.39Å
254	Y	97.4	Very high	95.5	Very high	19 Å²	19	46 Å²	46	8%	0.075	24%	0.244	C	C	.	.	H	α-helix	trans	-58.7	-53	179.4	-172.6	-84.2	0	0	0	112.3	L240 R250 E251 I256 L258 P341 W342 T599 T602	L240-Y254 HydrophobicContact CD2-CD2 3.92Å; L240-Y254 HydrophobicContact CD2-CG 4.46Å; R250-Y254 VanDerWaalsContact O-CB 3.23Å; R250-Y254 WeakPolarHBondContact O-CB 3.26Å; R250-Y254 PolarHBondContact O-N 3.32Å; E251-Y254 PolarHBondContact O-N 2.98Å; Y254-I256 PolarHBondContact O-N 3.41Å; Y254-L258 HydrophobicContact CD1-CD1 4.01Å; Y254-L258 HydrophobicContact CD2-CD1 3.89Å; Y254-L258 HydrophobicContact CE1-CD1 3.67Å; Y254-L258 HydrophobicContact CE2-CD1 3.55Å; Y254-L258 HydrophobicContact CG-CD1 4.1Å; Y254-L258 VanDerWaalsContact CZ-CD1 3.42Å; Y254-L258 VanDerWaalsContact O-CB 3.25Å; Y254-L258 WeakPolarHBondContact O-CB 3.39Å; Y254-L258 VanDerWaalsContact O-CG 3.29Å; Y254-L258 WeakPolarHBondContact O-CG 3.37Å; Y254-L258 PolarHBondContact O-N 3.2Å; Y254-L258 VanDerWaalsContact O-N 3.1Å; Y254-P341 HydrophobicContact CE2-CB 4.01Å; Y254-W342 AromaticContact CD1-CE3 3.7Å; Y254-W342 HydrophobicContact CD1-CE3 3.7Å; Y254-W342 HydrophobicContact CD1-CZ3 4.29Å; Y254-W342 HydrophobicContact CD2-CB 3.72Å; Y254-W342 HydrophobicContact CE1-CE3 4.18Å; Y254-W342 HydrophobicContact CG-CB 3.85Å; Y254-W342 AromaticContact CG-CE3 3.92Å; Y254-W342 HydrophobicContact CG-CE3 3.92Å; Y254-T599 HydrophobicContact CD1-CG2 4.48Å; Y254-T599 HydrophobicContact CE1-CG2 4.29Å; Y254-T602 HydrophobicContact CD1-CG2 4.32Å; Y254-T602 HydrophobicContact CE1-CG2 4.08Å
255	R	97	Very high	95.6	Very high	88 Å²	88	46.9 Å²	46.9	33%	0.332	25%	0.247	S	C	.	.	H	α-helix	trans	-64.8	-39.4	-176.1	-71.2	-180	179.5	-83.4	4	112.7	E251 Y259 T599	E251-R255 HydrophobicContact CG-CG 4.36Å; E251-R255 WeakPolarHBondContact O-CB 3.45Å; E251-R255 WeakPolarHBondContact O-CG 3.45Å; E251-R255 PolarHBondContact O-N 3.31Å; E251-R255 IonicContact OE1-CZ 3.58Å; E251-R255 VanDerWaalsContact OE1-CZ 3.3Å; E251-R255 IonicContact OE1-NE 3.67Å; E251-R255 PolarHBondContact OE1-NE 3.15Å; E251-R255 IonicContact OE1-NH2 3.15Å; E251-R255 PolarHBondContact OE1-NH2 3.43Å; R255-Y259 PolarHBondContact O-N 2.92Å; R255-T599 HydrophobicContact CG-CG2 4.19Å
256	I	96.3	Very high	95.9	Very high	28 Å²	28	48.4 Å²	48.4	14%	0.144	25%	0.245	C	C	.	.	H	α-helix	trans	-82.8	-43.4	-176.1	-61.3	166.9	0	0	0	110.7	N213 I215 I237 I252 Y254 L258 Y259	N213-I256 HydrophobicContact CB-CG2 4.04Å; N213-I256 WeakPolarHBondContact CB-O 3.3Å; N213-I256 PolarHBondContact ND2-O 3.21Å; I215-I256 HydrophobicContact CB-CG2 4.5Å; I215-I256 HydrophobicContact CD1-CD1 3.51Å; I215-I256 HydrophobicContact CD1-CG1 4.11Å; I215-I256 HydrophobicContact CG2-CD1 4.16Å; I237-I256 HydrophobicContact CB-CG2 4.22Å; I237-I256 HydrophobicContact CD1-CB 3.73Å; I237-I256 HydrophobicContact CD1-CD1 3.51Å; I237-I256 HydrophobicContact CD1-CG1 4.22Å; I237-I256 HydrophobicContact CD1-CG2 3.75Å; I237-I256 HydrophobicContact CG1-CG2 4.27Å; I252-I256 HydrophobicContact CG2-CD1 3.65Å; I252-I256 WeakPolarHBondContact O-CB 3.47Å; I252-I256 WeakPolarHBondContact O-CG1 3.32Å; I252-I256 PolarHBondContact O-N 3.02Å; I252-I256 VanDerWaalsContact O-N 3.09Å; Y254-I256 PolarHBondContact O-N 3.41Å; I256-L258 VanDerWaalsContact C-N 3.26Å; I256-L258 PolarHBondContact O-N 3.16Å; I256-Y259 VanDerWaalsContact O-CB 3.3Å; I256-Y259 WeakPolarHBondContact O-CB 3.5Å; I256-Y259 PolarHBondContact O-N 3.39Å; I256-Y259 VanDerWaalsContact O-N 3.14Å
257	Y	96.4	Very high	96.1	Very high	29 Å²	29	46 Å²	46	11%	0.114	23%	0.232	C	C	.	.	H	α-helix	trans	-62.1	-37.4	178.6	-176.2	-119.1	0	0	0	112.1	N213 I237 G238 L240 A253 R607	N213-Y257 PolarHBondContact ND2-O 2.9Å; N213-Y257 VanDerWaalsContact ND2-O 3.13Å; I237-Y257 WeakPolarHBondContact O-CD2 3.49Å; G238-Y257 WeakPolarHBondContact O-CE2 3.1Å; L240-Y257 HydrophobicContact CD2-CD1 3.7Å; L240-Y257 HydrophobicContact CD2-CE1 4.5Å; L240-Y257 HydrophobicContact CG-CD1 3.96Å; L240-Y257 HydrophobicContact CG-CE1 4.38Å; A253-Y257 WeakPolarHBondContact O-CB 3.43Å; A253-Y257 PolarHBondContact O-N 3.39Å; Y257-R607 HydrophobicContact CD1-CG 4.36Å; Y257-R607 HydrophobicContact CE1-CB 4.39Å; Y257-R607 HydrophobicContact CE1-CG 3.88Å; Y257-R607 PolarHBondContact O-NE 2.92Å; Y257-R607 PolarHBondContact O-NH2 2.79Å; Y257-R607 VanDerWaalsContact O-NH2 3.13Å
258	L	97	Very high	96.4	Very high	2 Å²	2	44.9 Å²	44.9	1%	0.01	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93	9.7	178.1	-53.6	-176.9	0	0	0	113.2	L240 Y254 I256 T602 A603 W604 R607	L240-L258 HydrophobicContact CD2-CD1 4.11Å; L240-L258 HydrophobicContact CD2-CD2 4.17Å; L240-L258 HydrophobicContact CD2-CG 3.99Å; Y254-L258 HydrophobicContact CD1-CD1 4.01Å; Y254-L258 HydrophobicContact CD2-CD1 3.89Å; Y254-L258 HydrophobicContact CE1-CD1 3.67Å; Y254-L258 HydrophobicContact CE2-CD1 3.55Å; Y254-L258 HydrophobicContact CG-CD1 4.1Å; Y254-L258 VanDerWaalsContact CZ-CD1 3.42Å; Y254-L258 VanDerWaalsContact O-CB 3.25Å; Y254-L258 WeakPolarHBondContact O-CB 3.39Å; Y254-L258 VanDerWaalsContact O-CG 3.29Å; Y254-L258 WeakPolarHBondContact O-CG 3.37Å; Y254-L258 PolarHBondContact O-N 3.2Å; Y254-L258 VanDerWaalsContact O-N 3.1Å; I256-L258 VanDerWaalsContact C-N 3.26Å; I256-L258 PolarHBondContact O-N 3.16Å; L258-T602 HydrophobicContact CB-CG2 4.27Å; L258-T602 CarbonylContact O-C 3.5Å; L258-T602 VanDerWaalsContact O-CA 3.26Å; L258-T602 WeakPolarHBondContact O-CA 3.38Å; L258-A603 PolarHBondContact O-N 2.85Å; L258-W604 HydrophobicContact CD1-CB 4.29Å; L258-R607 HydrophobicContact CD2-CB 4.15Å; L258-R607 HydrophobicContact CD2-CG 3.53Å
259	Y	96.6	Very high	96.5	Very high	143 Å²	143	43.7 Å²	43.7	56%	0.561	22%	0.218	S	C	*	.			trans	-59.1	136.1	178.6	-168.2	-95.5	0	0	0	110.6	R255 I256 N261 N601	R255-Y259 PolarHBondContact O-N 2.92Å; I256-Y259 VanDerWaalsContact O-CB 3.3Å; I256-Y259 WeakPolarHBondContact O-CB 3.5Å; I256-Y259 PolarHBondContact O-N 3.39Å; I256-Y259 VanDerWaalsContact O-N 3.14Å; Y259-N261 PolarHBondContact O-N 3.22Å; Y259-N601 HydrophobicContact CE2-CB 4.34Å
260	P	95.6	Very high	96.6	Very high	43 Å²	43	46.3 Å²	46.3	28%	0.279	23%	0.231	S	C	.	.			trans	-56.2	137.1	-178.2	-26.5	32.9	0	0	0	113	M265 N601 A603	P260-M265 HydrophobicContact CB-CE 4.14Å; P260-N601 WeakPolarHBondContact CD-O 3.42Å; P260-A603 HydrophobicContact CB-CB 4.18Å; P260-A603 HydrophobicContact CG-CB 4.13Å
261	N	95.6	Very high	96.7	Very high	63 Å²	63	46.3 Å²	46.3	34%	0.337	23%	0.231	S	C	.	.			trans	-116.5	120.7	169.6	179.2	-56.3	0	0	0	107.7	Y259 D263 L264 M265 L606	Y259-N261 PolarHBondContact O-N 3.22Å; N261-D263 PolarHBondContact OD1-N 2.78Å; N261-D263 VanDerWaalsContact OD1-N 3.13Å; N261-L264 HydrophobicContact CB-CB 4.05Å; N261-L264 PolarHBondContact OD1-N 3.2Å; N261-M265 VanDerWaalsContact O-CB 3.24Å; N261-M265 WeakPolarHBondContact O-CB 3.34Å; N261-M265 PolarHBondContact O-N 3.44Å; N261-L606 HydrophobicContact CB-CD1 4.26Å
262	A	95.3	Very high	96.8	Very high	76 Å²	76	45 Å²	45	63%	0.628	23%	0.225	S	C	*	.	H	α-helix	trans	-66.4	-45.2	-173.7	0	0	0	0	0	112.1	M265 E266	A262-M265 WeakPolarHBondContact O-CB 3.48Å; A262-M265 PolarHBondContact O-N 2.85Å; A262-E266 PolarHBondContact O-N 3.13Å
263	D	96.1	Very high	96.9	Very high	115 Å²	115	48.7 Å²	48.7	62%	0.615	24%	0.24	S	C	*	.	H	α-helix	trans	-63.4	-45.9	-178.8	-53.5	-30.3	0	0	0	110.7	N261 M265 E266 C267	N261-D263 PolarHBondContact OD1-N 2.78Å; N261-D263 VanDerWaalsContact OD1-N 3.13Å; D263-M265 VanDerWaalsContact C-N 3.3Å; D263-M265 PolarHBondContact O-N 2.88Å; D263-E266 PolarHBondContact O-N 2.92Å; D263-C267 WeakPolarHBondContact O-CB 3.29Å; D263-C267 PolarHBondContact O-N 2.79Å
264	L	96.3	Very high	96.9	Very high	13 Å²	13	48.9 Å²	48.9	7%	0.068	24%	0.242	C	C	.	.	H	α-helix	trans	-68.7	-30.1	178.5	-169.4	59.3	0	0	0	112.3	F205 N261 L268 L606	F205-L264 HydrophobicContact CB-CD1 4.38Å; F205-L264 HydrophobicContact CD2-CD1 3.61Å; F205-L264 HydrophobicContact CD2-CG 4.18Å; F205-L264 HydrophobicContact CE2-CD1 4.17Å; F205-L264 HydrophobicContact CE2-CG 4.27Å; F205-L264 HydrophobicContact CG-CD1 4.21Å; N261-L264 HydrophobicContact CB-CB 4.05Å; N261-L264 PolarHBondContact OD1-N 3.2Å; L264-L268 PolarHBondContact O-N 3.06Å; L264-L606 HydrophobicContact CB-CD1 4.5Å; L264-L606 HydrophobicContact CD2-CB 3.94Å; L264-L606 HydrophobicContact CG-CB 4.33Å; L264-L606 HydrophobicContact CG-CD2 4.31Å
265	M	96.7	Very high	96.9	Very high	36 Å²	36	48.6 Å²	48.6	18%	0.177	24%	0.24	C	C	.	.	H	α-helix	trans	-69	-44.3	173.2	-171.8	174.3	-59.8	0	0	111.5	P260 N261 A262 D263 L268 E269 T583 A603 L606	P260-M265 HydrophobicContact CB-CE 4.14Å; N261-M265 VanDerWaalsContact O-CB 3.24Å; N261-M265 WeakPolarHBondContact O-CB 3.34Å; N261-M265 PolarHBondContact O-N 3.44Å; A262-M265 WeakPolarHBondContact O-CB 3.48Å; A262-M265 PolarHBondContact O-N 2.85Å; D263-M265 VanDerWaalsContact C-N 3.3Å; D263-M265 PolarHBondContact O-N 2.88Å; M265-L268 PolarHBondContact O-N 2.79Å; M265-E269 WeakPolarHBondContact O-CB 3.35Å; M265-E269 WeakPolarHBondContact O-CG 3.43Å; M265-E269 PolarHBondContact O-N 3Å; M265-T583 WeakPolarHBondContact CE-OG1 3.48Å; M265-A603 HydrophobicContact CE-CB 4.09Å; M265-L606 HydrophobicContact CB-CD1 4.36Å; M265-L606 HydrophobicContact CB-CD2 4.18Å; M265-L606 HydrophobicContact CE-CD1 4.34Å
266	E	97.1	Very high	97	Very high	138 Å²	138	47 Å²	47	65%	0.645	24%	0.235	S	C	*	.	H	α-helix	trans	-62	-43.8	174	-176.1	172.2	-172.9	0	0	111.1	A262 D263 L268 E269 E270	A262-E266 PolarHBondContact O-N 3.13Å; D263-E266 PolarHBondContact O-N 2.92Å; E266-L268 PolarHBondContact O-N 2.69Å; E266-E269 PolarHBondContact O-N 3.24Å; E266-E270 WeakPolarHBondContact O-CB 3.31Å; E266-E270 PolarHBondContact O-N 2.99Å
267	C	97.9	Very high	97.1	Very high	5 Å²	5	50.6 Å²	50.6	3%	0.034	25%	0.249	C	C	.	.	H	α-helix	trans	-54.8	-50.6	174.6	-177.6	0	0	0	0	111.6	L201 D263 E270 L271	L201-C267 PolarHBondContact O-SG 2.91Å; D263-C267 WeakPolarHBondContact O-CB 3.29Å; D263-C267 PolarHBondContact O-N 2.79Å; C267-E270 PolarHBondContact O-N 2.9Å; C267-L271 VanDerWaalsContact O-CB 3.27Å; C267-L271 WeakPolarHBondContact O-CB 3.27Å; C267-L271 PolarHBondContact O-N 3Å
268	L	97.8	Very high	97	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-62.8	-46.1	177.9	-179.9	59.1	0	0	0	112.2	F205 L264 M265 E266 E270 L271 L272 T582 Q605 L606 L611	F205-L268 HydrophobicContact CD2-CB 3.94Å; F205-L268 HydrophobicContact CD2-CD1 4.25Å; F205-L268 HydrophobicContact CE2-CB 3.73Å; F205-L268 HydrophobicContact CE2-CD1 3.88Å; F205-L268 HydrophobicContact CE2-CD2 3.99Å; F205-L268 HydrophobicContact CE2-CG 4.06Å; F205-L268 HydrophobicContact CZ-CD1 4.2Å; F205-L268 HydrophobicContact CZ-CD2 4.37Å; L264-L268 PolarHBondContact O-N 3.06Å; M265-L268 PolarHBondContact O-N 2.79Å; E266-L268 PolarHBondContact O-N 2.69Å; L268-E270 VanDerWaalsContact C-N 3.34Å; L268-E270 PolarHBondContact O-N 3.47Å; L268-L271 WeakPolarHBondContact O-CB 3.39Å; L268-L271 PolarHBondContact O-N 3.45Å; L268-L272 HydrophobicContact CD1-CD1 4.29Å; L268-L272 HydrophobicContact CD1-CG 4.22Å; L268-L272 HydrophobicContact CG-CD1 4.24Å; L268-L272 WeakPolarHBondContact O-CG 3.44Å; L268-L272 PolarHBondContact O-N 2.9Å; L268-T582 HydrophobicContact CD2-CG2 4.17Å; L268-T582 HydrophobicContact CG-CG2 4.36Å; L268-Q605 HydrophobicContact CD2-CB 4.32Å; L268-Q605 HydrophobicContact CD2-CG 3.71Å; L268-L606 HydrophobicContact CB-CD2 4.48Å; L268-L606 HydrophobicContact CD2-CD2 4.1Å; L268-L611 HydrophobicContact CD1-CD1 4.17Å; L268-L611 HydrophobicContact CD2-CD1 4.22Å
269	E	97.5	Very high	97	Very high	48 Å²	48	49.1 Å²	49.1	22%	0.224	24%	0.243	C	C	.	.	H	α-helix	trans	-63.8	-40.4	-178.9	-76.7	-178.8	179.4	0	0	112.1	M265 E266 K273 S581 T582	M265-E269 WeakPolarHBondContact O-CB 3.35Å; M265-E269 WeakPolarHBondContact O-CG 3.43Å; M265-E269 PolarHBondContact O-N 3Å; E266-E269 PolarHBondContact O-N 3.24Å; E269-K273 VanDerWaalsContact O-CG 3.26Å; E269-K273 WeakPolarHBondContact O-CG 3.38Å; E269-K273 PolarHBondContact O-N 3.35Å; E269-S581 WeakPolarHBondContact OE1-CA 3.4Å; E269-T582 HydrophobicContact CG-CG2 3.61Å; E269-T582 PolarHBondContact OE1-N 2.83Å; E269-T582 VanDerWaalsContact OE1-N 3.11Å
270	E	97.7	Very high	97	Very high	58 Å²	58	46.4 Å²	46.4	27%	0.271	23%	0.234	S	C	.	.	H	α-helix	trans	-69.1	-37.7	176.1	-170.9	58	-163.7	0	0	111.9	K197 L201 E266 C267 L268 K273 C274	K197-E270 IonicContact NZ-OE1 3.58Å; K197-E270 PolarHBondContact NZ-OE1 2.92Å; L201-E270 HydrophobicContact CD1-CB 4.28Å; L201-E270 HydrophobicContact CD1-CG 4Å; E266-E270 WeakPolarHBondContact O-CB 3.31Å; E266-E270 PolarHBondContact O-N 2.99Å; C267-E270 PolarHBondContact O-N 2.9Å; L268-E270 VanDerWaalsContact C-N 3.34Å; L268-E270 PolarHBondContact O-N 3.47Å; E270-K273 PolarHBondContact O-N 2.9Å; E270-C274 WeakPolarHBondContact O-CB 3.47Å; E270-C274 PolarHBondContact O-N 3.13Å; E270-C274 PolarHBondContact O-SG 3.22Å
271	L	98	Very high	97	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-59.7	-48.4	174.2	-176.9	153.3	0	0	0	111.2	L198 L201 C267 L268 K273 C274 R275 I612	L198-L271 HydrophobicContact CD2-CG 4.14Å; L198-L271 WeakPolarHBondContact CD2-O 3.49Å; L201-L271 HydrophobicContact CB-CB 4.12Å; L201-L271 HydrophobicContact CB-CD1 4Å; L201-L271 HydrophobicContact CB-CG 4.37Å; L201-L271 HydrophobicContact CD1-CB 4.17Å; C267-L271 VanDerWaalsContact O-CB 3.27Å; C267-L271 WeakPolarHBondContact O-CB 3.27Å; C267-L271 PolarHBondContact O-N 3Å; L268-L271 WeakPolarHBondContact O-CB 3.39Å; L268-L271 PolarHBondContact O-N 3.45Å; L271-K273 PolarHBondContact O-N 2.89Å; L271-C274 PolarHBondContact O-N 3.49Å; L271-R275 HydrophobicContact CD2-CG 4.27Å; L271-R275 WeakPolarHBondContact O-CG 3.18Å; L271-R275 PolarHBondContact O-N 3.45Å; L271-I612 HydrophobicContact CD1-CD1 3.52Å; L271-I612 HydrophobicContact CD2-CD1 4.18Å
272	L	98.1	Very high	96.9	Very high	17 Å²	17	43.1 Å²	43.1	9%	0.089	21%	0.214	C	C	.	.	H	α-helix	trans	-63.6	-41	178.6	-66.1	175.5	0	0	0	112	L268 R275 Y276 Y573 T582	L268-L272 HydrophobicContact CD1-CD1 4.29Å; L268-L272 HydrophobicContact CD1-CG 4.22Å; L268-L272 HydrophobicContact CG-CD1 4.24Å; L268-L272 WeakPolarHBondContact O-CG 3.44Å; L268-L272 PolarHBondContact O-N 2.9Å; L272-R275 PolarHBondContact O-N 3.27Å; L272-Y276 PolarHBondContact O-N 3.02Å; L272-Y573 HydrophobicContact CD1-CD1 4.19Å; L272-Y573 HydrophobicContact CD1-CG 4Å; L272-T582 HydrophobicContact CD1-CG2 3.99Å
273	K	97.8	Very high	96.8	Very high	102 Å²	102	42.6 Å²	42.6	44%	0.443	22%	0.217	S	C	.	.	H	α-helix	trans	-61.6	-44.9	174	-72.8	168.1	-167	161.8	0	111.7	E269 E270 L271 Y276 K277	E269-K273 VanDerWaalsContact O-CG 3.26Å; E269-K273 WeakPolarHBondContact O-CG 3.38Å; E269-K273 PolarHBondContact O-N 3.35Å; E270-K273 PolarHBondContact O-N 2.9Å; L271-K273 PolarHBondContact O-N 2.89Å; K273-Y276 PolarHBondContact O-N 3.21Å; K273-K277 WeakPolarHBondContact O-CB 3.48Å; K273-K277 PolarHBondContact O-N 3.31Å
274	C	97.8	Very high	96.8	Very high	4 Å²	4	38.6 Å²	38.6	3%	0.027	19%	0.193	C	C	.	.	H	α-helix	trans	-62.6	-43	177.7	-71.6	0	0	0	0	111.4	L194 L198 E270 L271 Y276 K277 L278	L194-C274 HydrophobicContact CD2-CB 4.18Å; L198-C274 HydrophobicContact CD1-CB 4.47Å; L198-C274 HydrophobicContact CD2-CB 3.55Å; L198-C274 HydrophobicContact CG-CB 3.86Å; E270-C274 WeakPolarHBondContact O-CB 3.47Å; E270-C274 PolarHBondContact O-N 3.13Å; E270-C274 PolarHBondContact O-SG 3.22Å; L271-C274 PolarHBondContact O-N 3.49Å; C274-Y276 PolarHBondContact O-N 3.29Å; C274-K277 PolarHBondContact O-N 2.97Å; C274-L278 VanDerWaalsContact O-CB 3.32Å; C274-L278 WeakPolarHBondContact O-CB 3.47Å; C274-L278 PolarHBondContact O-N 3.46Å
275	R	97.6	Very high	96.9	Very high	13 Å²	13	43 Å²	43	5%	0.049	22%	0.217	C	C	.	.	H	α-helix	trans	-59.2	-46.5	174.9	-79.7	-173	172.7	168.8	-4.2	112.2	L198 L271 L272 A279 Y287 H574 L611 I612	L198-R275 HydrophobicContact CD1-CG 4.32Å; L198-R275 HydrophobicContact CD2-CG 3.64Å; L271-R275 HydrophobicContact CD2-CG 4.27Å; L271-R275 WeakPolarHBondContact O-CG 3.18Å; L271-R275 PolarHBondContact O-N 3.45Å; L272-R275 PolarHBondContact O-N 3.27Å; R275-A279 WeakPolarHBondContact O-CB 3.2Å; R275-A279 PolarHBondContact O-N 3.37Å; R275-Y287 HydrophobicContact CB-CD2 3.6Å; R275-Y287 HydrophobicContact CB-CE2 4.23Å; R275-Y287 HydrophobicContact CB-CG 3.84Å; R275-Y287 HydrophobicContact CG-CD2 3.75Å; R275-Y287 HydrophobicContact CG-CE2 3.84Å; R275-Y287 HydrophobicContact CG-CG 4.23Å; R275-H574 PolarHBondContact NH1-NE2 3.49Å; R275-L611 PolarHBondContact NH1-O 3.28Å; R275-I612 PolarHBondContact NH2-O 3.48Å
276	Y	98.2	Very high	96.9	Very high	55 Å²	55	41.6 Å²	41.6	22%	0.216	21%	0.211	C	C	.	.	H	α-helix	trans	-62.5	-48.2	176.6	177.7	-105.2	0	0	0	112	L272 K273 C274 L278 A279 K280 D285 G575 K576 P577	L272-Y276 PolarHBondContact O-N 3.02Å; K273-Y276 PolarHBondContact O-N 3.21Å; C274-Y276 PolarHBondContact O-N 3.29Å; Y276-L278 PolarHBondContact O-N 3.46Å; Y276-A279 PolarHBondContact O-N 3.15Å; Y276-K280 HydrophobicContact CD1-CG 4.3Å; Y276-K280 HydrophobicContact CE1-CD 4.5Å; Y276-K280 HydrophobicContact CE1-CG 3.8Å; Y276-K280 HydrophobicContact CE2-CD 4.04Å; Y276-K280 HydrophobicContact CE2-CG 4.03Å; Y276-K280 PolarHBondContact O-N 3.18Å; Y276-D285 WeakPolarHBondContact CE2-O 3.41Å; Y276-G575 WeakPolarHBondContact CD2-O 3.4Å; Y276-K576 HydrophobicContact CE2-CB 4.16Å; Y276-K576 HydrophobicContact CE2-CG 4.19Å; Y276-P577 HydrophobicContact CD1-CG 3.61Å; Y276-P577 HydrophobicContact CD2-CG 4.31Å; Y276-P577 HydrophobicContact CE1-CG 4.25Å; Y276-P577 HydrophobicContact CG-CG 3.64Å
277	K	97.4	Very high	97	Very high	102 Å²	102	37 Å²	37	44%	0.443	19%	0.187	S	C	.	.	H	α-helix	trans	-60.5	-45.6	-179.3	-173.2	176.8	176.1	-168.5	0	111.6	E190 L194 K273 C274 A279 K280 L281	E190-K277 WeakPolarHBondContact OE1-CE 3.43Å; E190-K277 IonicContact OE1-NZ 3.85Å; E190-K277 PolarHBondContact OE1-NZ 3Å; L194-K277 HydrophobicContact CD1-CB 4.34Å; L194-K277 HydrophobicContact CD1-CD 4.1Å; L194-K277 HydrophobicContact CD1-CG 3.97Å; L194-K277 HydrophobicContact CD2-CD 4.16Å; K273-K277 WeakPolarHBondContact O-CB 3.48Å; K273-K277 PolarHBondContact O-N 3.31Å; C274-K277 PolarHBondContact O-N 2.97Å; K277-A279 VanDerWaalsContact C-N 3.35Å; K277-A279 PolarHBondContact O-N 3.39Å; K277-K280 PolarHBondContact O-N 2.85Å; K277-L281 WeakPolarHBondContact O-CB 3.38Å; K277-L281 PolarHBondContact O-N 2.89Å
278	L	95.9	Very high	97	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-60.8	-44.2	175.8	178.5	61.9	0	0	0	111.3	A191 L194 L198 C274 Y276 K280 L281 V282	A191-L278 HydrophobicContact CB-CD1 4.09Å; L194-L278 HydrophobicContact CB-CB 4.47Å; L194-L278 HydrophobicContact CB-CD1 4.47Å; L194-L278 HydrophobicContact CD1-CB 4.2Å; L198-L278 HydrophobicContact CD1-CD2 3.69Å; C274-L278 VanDerWaalsContact O-CB 3.32Å; C274-L278 WeakPolarHBondContact O-CB 3.47Å; C274-L278 PolarHBondContact O-N 3.46Å; Y276-L278 PolarHBondContact O-N 3.46Å; L278-K280 PolarHBondContact O-N 3.24Å; L278-L281 WeakPolarHBondContact O-CB 3.43Å; L278-L281 PolarHBondContact O-N 2.95Å; L278-V282 HydrophobicContact CD1-CG1 4.26Å; L278-V282 WeakPolarHBondContact O-CG2 3.33Å; L278-V282 PolarHBondContact O-N 2.98Å
279	A	96.3	Very high	97	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-61.6	-44.1	177.9	0	0	0	0	0	112.4	R275 Y276 K277 L281 V282 G283 Y284 S286	R275-A279 WeakPolarHBondContact O-CB 3.2Å; R275-A279 PolarHBondContact O-N 3.37Å; Y276-A279 PolarHBondContact O-N 3.15Å; K277-A279 VanDerWaalsContact C-N 3.35Å; K277-A279 PolarHBondContact O-N 3.39Å; A279-L281 VanDerWaalsContact C-N 3.33Å; A279-L281 PolarHBondContact O-N 3.15Å; A279-V282 PolarHBondContact O-N 3.33Å; A279-G283 PolarHBondContact O-N 2.91Å; A279-Y284 PolarHBondContact O-N 3Å; A279-S286 VanDerWaalsContact CB-C 3.44Å; A279-S286 WeakPolarHBondContact CB-O 3.42Å
280	K	97	Very high	96.9	Very high	86 Å²	86	37.9 Å²	37.9	37%	0.374	19%	0.19	S	C	.	.	H	α-helix	trans	-61.5	-42.4	174.3	-71.3	-50.2	-50.9	161.8	0	111.9	Y276 K277 L278 V282 G283 Y284 D285	Y276-K280 HydrophobicContact CD1-CG 4.3Å; Y276-K280 HydrophobicContact CE1-CD 4.5Å; Y276-K280 HydrophobicContact CE1-CG 3.8Å; Y276-K280 HydrophobicContact CE2-CD 4.04Å; Y276-K280 HydrophobicContact CE2-CG 4.03Å; Y276-K280 PolarHBondContact O-N 3.18Å; K277-K280 PolarHBondContact O-N 2.85Å; L278-K280 PolarHBondContact O-N 3.24Å; K280-V282 VanDerWaalsContact C-N 3.33Å; K280-V282 PolarHBondContact O-N 3.48Å; K280-G283 PolarHBondContact O-N 2.95Å; K280-Y284 WeakPolarHBondContact CA-O 3.33Å; K280-Y284 VanDerWaalsContact CD-O 3.3Å; K280-Y284 WeakPolarHBondContact CD-O 3.25Å; K280-Y284 WeakPolarHBondContact CE-O 3.26Å; K280-Y284 PolarHBondContact NZ-O 3.22Å; K280-D285 WeakPolarHBondContact CD-O 3.43Å; K280-D285 IonicContact NZ-OD1 3.67Å; K280-D285 PolarHBondContact NZ-OD1 2.98Å
281	L	95.3	Very high	96.8	Very high	31 Å²	31	35.9 Å²	35.9	16%	0.162	18%	0.183	C	C	.	.	H	α-helix	trans	-60.2	-43.2	-178.9	-174.8	65	0	0	0	111.5	L183 L187 E190 A191 L194 K277 L278 A279 G283	L183-L281 HydrophobicContact CD1-CD1 4.29Å; L183-L281 HydrophobicContact CD1-CD2 4.08Å; L183-L281 HydrophobicContact CD1-CG 3.71Å; L183-L281 VanDerWaalsContact CD2-O 3.27Å; L183-L281 WeakPolarHBondContact CD2-O 3.31Å; L187-L281 HydrophobicContact CB-CD1 4.02Å; L187-L281 HydrophobicContact CD1-CD1 4.46Å; L187-L281 HydrophobicContact CD2-CD1 3.73Å; L187-L281 HydrophobicContact CG-CD1 4.27Å; E190-L281 HydrophobicContact CB-CD2 4.37Å; E190-L281 HydrophobicContact CG-CD2 4.25Å; A191-L281 HydrophobicContact CB-CD2 3.63Å; L194-L281 HydrophobicContact CD1-CD2 4.28Å; K277-L281 WeakPolarHBondContact O-CB 3.38Å; K277-L281 PolarHBondContact O-N 2.89Å; L278-L281 WeakPolarHBondContact O-CB 3.43Å; L278-L281 PolarHBondContact O-N 2.95Å; A279-L281 VanDerWaalsContact C-N 3.33Å; A279-L281 PolarHBondContact O-N 3.15Å; L281-G283 VanDerWaalsContact C-N 3.3Å; L281-G283 PolarHBondContact O-N 3.41Å
282	V	93.4	Very high	96.7	Very high	6 Å²	6	35.9 Å²	35.9	4%	0.036	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	18	179.8	-54.2	0	0	0	0	113.8	L183 L278 A279 K280 Y284	L183-V282 HydrophobicContact CD1-CG1 4.27Å; L278-V282 HydrophobicContact CD1-CG1 4.26Å; L278-V282 WeakPolarHBondContact O-CG2 3.33Å; L278-V282 PolarHBondContact O-N 2.98Å; A279-V282 PolarHBondContact O-N 3.33Å; K280-V282 VanDerWaalsContact C-N 3.33Å; K280-V282 PolarHBondContact O-N 3.48Å; V282-Y284 HydrophobicContact CG2-CD2 3.72Å; V282-Y284 HydrophobicContact CG2-CE2 4.01Å; V282-Y284 WeakPolarHBondContact O-CD2 3.13Å; V282-Y284 WeakPolarHBondContact O-CE2 3.33Å
283	G	94	Very high	96.4	Very high	66 Å²	66	39.6 Å²	39.6	68%	0.68	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	90.8	12.7	167	0	0	0	0	0	117.1	A279 K280 L281	A279-G283 PolarHBondContact O-N 2.91Å; K280-G283 PolarHBondContact O-N 2.95Å; L281-G283 VanDerWaalsContact C-N 3.3Å; L281-G283 PolarHBondContact O-N 3.41Å
284	Y	96.2	Very high	96	Very high	31 Å²	31	36 Å²	36	12%	0.122	19%	0.191	C	C	.	.			trans	-100.3	163.7	176.3	-63.6	-94.1	0	0	0	111.9	F174 I178 A279 K280 V282 H289 R290 K293	F174-Y284 WeakPolarHBondContact CE2-OH 3.45Å; I178-Y284 HydrophobicContact CG2-CE2 4.49Å; A279-Y284 PolarHBondContact O-N 3Å; K280-Y284 WeakPolarHBondContact CA-O 3.33Å; K280-Y284 VanDerWaalsContact CD-O 3.3Å; K280-Y284 WeakPolarHBondContact CD-O 3.25Å; K280-Y284 WeakPolarHBondContact CE-O 3.26Å; K280-Y284 PolarHBondContact NZ-O 3.22Å; V282-Y284 HydrophobicContact CG2-CD2 3.72Å; V282-Y284 HydrophobicContact CG2-CE2 4.01Å; V282-Y284 WeakPolarHBondContact O-CD2 3.13Å; V282-Y284 WeakPolarHBondContact O-CE2 3.33Å; Y284-H289 HydrophobicContact CD1-CB 4.4Å; Y284-R290 HydrophobicContact CD1-CB 3.93Å; Y284-R290 HydrophobicContact CD2-CB 3.95Å; Y284-R290 HydrophobicContact CD2-CG 4.04Å; Y284-R290 HydrophobicContact CE1-CB 4.39Å; Y284-R290 HydrophobicContact CE2-CB 4.41Å; Y284-R290 HydrophobicContact CE2-CG 4.12Å; Y284-R290 HydrophobicContact CG-CB 3.71Å; Y284-R290 HydrophobicContact CG-CG 4.3Å; Y284-K293 HydrophobicContact CE1-CD 3.89Å; Y284-K293 PolarHBondContact OH-NZ 3.47Å
285	D	97.1	Very high	95.8	Very high	104 Å²	104	36 Å²	36	56%	0.556	19%	0.191	S	C	*	.	S	Bend	trans	-81.5	-32.8	178.6	-75.3	-31.2	0	0	0	113.9	Y276 K280	Y276-D285 WeakPolarHBondContact CE2-O 3.41Å; K280-D285 WeakPolarHBondContact CD-O 3.43Å; K280-D285 IonicContact NZ-OD1 3.67Å; K280-D285 PolarHBondContact NZ-OD1 2.98Å
286	S	98	Very high	95.8	Very high	7 Å²	7	35.7 Å²	35.7	5%	0.049	19%	0.19	C	C	.	.	S	Bend	trans	-152.6	172.3	173.2	70.3	0	0	0	0	110.7	A279 G288 H289 R290	A279-S286 VanDerWaalsContact CB-C 3.44Å; A279-S286 WeakPolarHBondContact CB-O 3.42Å; S286-G288 VanDerWaalsContact C-N 3.25Å; S286-G288 PolarHBondContact O-N 3.33Å; S286-G288 PolarHBondContact OG-N 2.84Å; S286-H289 PolarHBondContact O-N 3.45Å; S286-H289 PolarHBondContact OG-N 3.04Å; S286-H289 PolarHBondContact OG-ND1 3.08Å; S286-R290 PolarHBondContact O-N 3.39Å
287	Y	97.7	Very high	95.7	Very high	41 Å²	41	33.2 Å²	33.2	16%	0.161	18%	0.18	C	C	.	.	H	α-helix	trans	-60.7	-38.2	171.9	-178.6	-93.5	0	0	0	111.4	R275 H289 R290 A291 H574 A616	R275-Y287 HydrophobicContact CB-CD2 3.6Å; R275-Y287 HydrophobicContact CB-CE2 4.23Å; R275-Y287 HydrophobicContact CB-CG 3.84Å; R275-Y287 HydrophobicContact CG-CD2 3.75Å; R275-Y287 HydrophobicContact CG-CE2 3.84Å; R275-Y287 HydrophobicContact CG-CG 4.23Å; Y287-H289 PolarHBondContact O-N 2.95Å; Y287-R290 WeakPolarHBondContact O-CB 3.48Å; Y287-R290 PolarHBondContact O-N 3.1Å; Y287-R290 VanDerWaalsContact O-N 3.17Å; Y287-A291 HydrophobicContact CD1-CB 4.25Å; Y287-A291 HydrophobicContact CE1-CB 3.99Å; Y287-A291 WeakPolarHBondContact O-CB 3.43Å; Y287-A291 PolarHBondContact O-N 2.94Å; Y287-H574 HydrophobicContact CD1-CB 3.94Å; Y287-H574 AromaticContact CD1-CD2 3.3Å; Y287-H574 WeakPolarHBondContact CD1-CD2 3.31Å; Y287-H574 AromaticContact CD1-CG 3.83Å; Y287-H574 AromaticContact CE1-CD2 3.68Å; Y287-H574 PolarHBondContact N-O 2.96Å; Y287-A616 HydrophobicContact CD1-CB 4.13Å; Y287-A616 HydrophobicContact CE1-CB 4.32Å
288	G	97.9	Very high	95.6	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-57.8	-43.5	173.1	0	0	0	0	0	113.4	S286 R290 A291 L292 H574	S286-G288 VanDerWaalsContact C-N 3.25Å; S286-G288 PolarHBondContact O-N 3.33Å; S286-G288 PolarHBondContact OG-N 2.84Å; G288-R290 VanDerWaalsContact C-N 3.27Å; G288-R290 PolarHBondContact O-N 3.3Å; G288-A291 PolarHBondContact O-N 3.04Å; G288-L292 WeakPolarHBondContact O-CB 3.23Å; G288-L292 WeakPolarHBondContact O-CD1 3.44Å; G288-L292 PolarHBondContact O-N 3.22Å; G288-H574 PolarHBondContact N-O 3.28Å
289	H	97.6	Very high	95.6	Very high	43 Å²	43	35.1 Å²	35.1	20%	0.199	19%	0.191	C	C	.	.	H	α-helix	trans	-61.4	-37.4	175.8	-74.8	81.5	0	0	0	112.9	Y284 S286 Y287 E301	Y284-H289 HydrophobicContact CD1-CB 4.4Å; S286-H289 PolarHBondContact O-N 3.45Å; S286-H289 PolarHBondContact OG-N 3.04Å; S286-H289 PolarHBondContact OG-ND1 3.08Å; Y287-H289 PolarHBondContact O-N 2.95Å; H289-E301 IonicContact CE1-OE1 2.79Å; H289-E301 PolarHBondContact CE1-OE1 3.19Å; H289-E301 VanDerWaalsContact CE1-OE1 3.27Å; H289-E301 IonicContact CE1-OE2 3.52Å; H289-E301 IonicContact NE2-OE1 3.16Å; H289-E301 PolarHBondContact NE2-OE1 3.45Å; H289-E301 IonicContact NE2-OE2 3.46Å; H289-E301 PolarHBondContact NE2-OE2 2.84Å
290	R	95.3	Very high	95.7	Very high	30 Å²	30	35.8 Å²	35.8	11%	0.113	20%	0.196	C	C	.	.	H	α-helix	trans	-69	-49.3	175.6	-179.6	-176.5	171.7	-146	7.1	111.6	I178 Y284 S286 Y287 G288 L292 K293	I178-R290 HydrophobicContact CG2-CG 4.33Å; I178-R290 PolarHBondContact O-NH2 3.28Å; Y284-R290 HydrophobicContact CD1-CB 3.93Å; Y284-R290 HydrophobicContact CD2-CB 3.95Å; Y284-R290 HydrophobicContact CD2-CG 4.04Å; Y284-R290 HydrophobicContact CE1-CB 4.39Å; Y284-R290 HydrophobicContact CE2-CB 4.41Å; Y284-R290 HydrophobicContact CE2-CG 4.12Å; Y284-R290 HydrophobicContact CG-CB 3.71Å; Y284-R290 HydrophobicContact CG-CG 4.3Å; S286-R290 PolarHBondContact O-N 3.39Å; Y287-R290 WeakPolarHBondContact O-CB 3.48Å; Y287-R290 PolarHBondContact O-N 3.1Å; Y287-R290 VanDerWaalsContact O-N 3.17Å; G288-R290 VanDerWaalsContact C-N 3.27Å; G288-R290 PolarHBondContact O-N 3.3Å; R290-L292 VanDerWaalsContact C-N 3.31Å; R290-L292 PolarHBondContact O-N 3.49Å; R290-K293 PolarHBondContact O-N 3.05Å
291	A	95.3	Very high	95.8	Very high	15 Å²	15	36.5 Å²	36.5	12%	0.124	20%	0.2	C	C	.	.	H	α-helix	trans	-68.5	-28.1	-173	0	0	0	0	0	113.5	Y287 G288 A616 K617	Y287-A291 HydrophobicContact CD1-CB 4.25Å; Y287-A291 HydrophobicContact CE1-CB 3.99Å; Y287-A291 WeakPolarHBondContact O-CB 3.43Å; Y287-A291 PolarHBondContact O-N 2.94Å; G288-A291 PolarHBondContact O-N 3.04Å; A291-A616 HydrophobicContact CB-CB 4.02Å; A291-K617 WeakPolarHBondContact O-CE 3.22Å
292	L	96	Very high	95.9	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-5.8	-176.4	-79.7	56.3	0	0	0	112.5	G288 R290 G294 T295 K298 P300 V303 A616 K617 Y619	G288-L292 WeakPolarHBondContact O-CB 3.23Å; G288-L292 WeakPolarHBondContact O-CD1 3.44Å; G288-L292 PolarHBondContact O-N 3.22Å; R290-L292 VanDerWaalsContact C-N 3.31Å; R290-L292 PolarHBondContact O-N 3.49Å; L292-G294 PolarHBondContact O-N 3.4Å; L292-T295 WeakPolarHBondContact O-CB 3.16Å; L292-T295 WeakPolarHBondContact O-CG2 3.35Å; L292-T295 PolarHBondContact O-N 3.46Å; L292-T295 PolarHBondContact O-OG1 3.15Å; L292-K298 CarbonylContact C-O 3.55Å; L292-K298 CarbonylContact O-C 3.56Å; L292-K298 WeakPolarHBondContact O-CA 3.49Å; L292-P300 HydrophobicContact CD2-CG 4.27Å; L292-V303 HydrophobicContact CD2-CG2 3.64Å; L292-A616 HydrophobicContact CD1-CB 3.8Å; L292-A616 WeakPolarHBondContact CD1-O 3.34Å; L292-K617 HydrophobicContact CD1-CG 4.4Å; L292-Y619 HydrophobicContact CD1-CE1 4.35Å; L292-Y619 HydrophobicContact CD2-CE1 4.07Å; L292-Y619 HydrophobicContact CG-CE1 4.01Å
293	K	92.3	Very high	96.2	Very high	95 Å²	95	36.7 Å²	36.7	41%	0.413	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	125	176.2	179.8	160.4	156.4	-168.8	0	109.9	F174 E177 Y284 R290	F174-K293 HydrophobicContact CD2-CD 4.05Å; F174-K293 VanDerWaalsContact CD2-CE 3.46Å; F174-K293 HydrophobicContact CE2-CB 4.19Å; F174-K293 HydrophobicContact CE2-CD 3.47Å; F174-K293 VanDerWaalsContact CE2-CD 3.47Å; F174-K293 VanDerWaalsContact CE2-CE 3.45Å; F174-K293 HydrophobicContact CE2-CG 3.87Å; F174-K293 HydrophobicContact CZ-CB 4.12Å; F174-K293 HydrophobicContact CZ-CD 4.25Å; F174-K293 HydrophobicContact CZ-CG 4.19Å; E177-K293 IonicContact OE2-NZ 2.84Å; Y284-K293 HydrophobicContact CE1-CD 3.89Å; Y284-K293 PolarHBondContact OH-NZ 3.47Å; R290-K293 PolarHBondContact O-N 3.05Å
294	G	89.3	Confident	96.4	Very high	27 Å²	27	35.6 Å²	35.6	28%	0.278	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.3	-1.2	-178.5	0	0	0	0	0	115.8	L292	L292-G294 PolarHBondContact O-N 3.4Å
295	T	94.9	Very high	96.5	Very high	4 Å²	4	38 Å²	38	3%	0.025	20%	0.202	C	C	.	.	S	Bend	trans	-78.6	167.8	169.7	67.4	0	0	0	0	111.4	L292 A297 K298 D508 Y619	L292-T295 WeakPolarHBondContact O-CB 3.16Å; L292-T295 WeakPolarHBondContact O-CG2 3.35Å; L292-T295 PolarHBondContact O-N 3.46Å; L292-T295 PolarHBondContact O-OG1 3.15Å; T295-A297 VanDerWaalsContact C-N 3.32Å; T295-K298 VanDerWaalsContact O-CG 3.29Å; T295-K298 WeakPolarHBondContact O-CG 3.38Å; T295-K298 PolarHBondContact O-N 3.27Å; T295-K298 PolarHBondContact OG1-N 2.85Å; T295-D508 WeakPolarHBondContact CB-OD1 3.46Å; T295-D508 VanDerWaalsContact CB-OD2 3.32Å; T295-D508 WeakPolarHBondContact CB-OD2 3.46Å; T295-Y619 PolarHBondContact OG1-OH 3.39Å
296	M	95.9	Very high	96.5	Very high	7 Å²	7	33.1 Å²	33.1	3%	0.034	18%	0.175	C	C	.	.	S	Bend	trans	-62.8	-38.6	171.5	-66.4	-173.2	-69.6	0	0	112.1	D508 M623 V627 P662 M663 V666	M296-D508 WeakPolarHBondContact CA-OD2 3.43Å; M296-D508 WeakPolarHBondContact CB-OD2 3.33Å; M296-D508 HydrophobicContact CE-CB 4.2Å; M296-D508 WeakPolarHBondContact CE-O 3.3Å; M296-D508 PolarHBondContact N-OD1 2.7Å; M296-D508 PolarHBondContact N-OD2 2.74Å; M296-M623 HydrophobicContact CB-SD 4.01Å; M296-M623 HydrophobicContact CE-CG 3.97Å; M296-M623 HydrophobicContact CE-SD 4.1Å; M296-V627 HydrophobicContact CE-CG2 4.03Å; M296-V627 HydrophobicContact SD-CG2 4.33Å; M296-P662 HydrophobicContact CG-CB 3.53Å; M296-P662 HydrophobicContact SD-CB 4.17Å; M296-M663 HydrophobicContact CB-CE 3.9Å; M296-M663 HydrophobicContact CG-CB 4.47Å; M296-M663 HydrophobicContact CG-CE 4.12Å; M296-M663 HydrophobicContact SD-CE 4.18Å; M296-V666 HydrophobicContact SD-CG2 3.93Å
297	A	96.1	Very high	96.6	Very high	2 Å²	2	32.8 Å²	32.8	2%	0.017	17%	0.173	C	C	.	.	S	Bend	trans	-75.9	-25.1	179.3	0	0	0	0	0	113.5	T295 N299 T302 V303 D508 Y619 M623	T295-A297 VanDerWaalsContact C-N 3.32Å; A297-N299 PolarHBondContact O-N 2.83Å; A297-T302 HydrophobicContact CB-CG2 4.47Å; A297-T302 WeakPolarHBondContact O-CB 3.35Å; A297-T302 WeakPolarHBondContact O-CG2 3.19Å; A297-T302 PolarHBondContact O-OG1 3.38Å; A297-V303 HydrophobicContact CB-CG2 3.54Å; A297-D508 PolarHBondContact N-OD2 2.84Å; A297-Y619 HydrophobicContact CB-CE2 3.57Å; A297-Y619 VanDerWaalsContact CB-OH 3.31Å; A297-Y619 WeakPolarHBondContact CB-OH 3.24Å; A297-M623 HydrophobicContact CB-CE 3.93Å; A297-M623 HydrophobicContact CB-SD 4.21Å
298	K	95.1	Very high	96.6	Very high	93 Å²	93	33.8 Å²	33.8	40%	0.404	18%	0.179	S	C	.	.			trans	66.6	-37.4	175.8	-55.6	-173.3	177.5	-152.9	0	116.5	L292 T295 E661	L292-K298 CarbonylContact C-O 3.55Å; L292-K298 CarbonylContact O-C 3.56Å; L292-K298 WeakPolarHBondContact O-CA 3.49Å; T295-K298 VanDerWaalsContact O-CG 3.29Å; T295-K298 WeakPolarHBondContact O-CG 3.38Å; T295-K298 PolarHBondContact O-N 3.27Å; T295-K298 PolarHBondContact OG1-N 2.85Å; K298-E661 WeakPolarHBondContact CE-OE1 3.38Å; K298-E661 IonicContact NZ-OE1 2.8Å; K298-E661 PolarHBondContact NZ-OE1 3.24Å
299	N	97.6	Very high	96.6	Very high	50 Å²	50	36.3 Å²	36.3	27%	0.267	19%	0.192	S	C	.	.	S	Bend	trans	-152.8	161.1	-176.7	59.9	44.7	0	0	0	113.7	A297 E301 T302 V303	A297-N299 PolarHBondContact O-N 2.83Å; N299-E301 VanDerWaalsContact C-N 3.27Å; N299-E301 WeakPolarHBondContact CB-OE2 3.25Å; N299-E301 PolarHBondContact O-N 3.23Å; N299-E301 PolarHBondContact OD1-N 3.04Å; N299-T302 PolarHBondContact O-N 2.94Å; N299-T302 VanDerWaalsContact OD1-CB 3.3Å; N299-T302 WeakPolarHBondContact OD1-CB 3.26Å; N299-T302 PolarHBondContact OD1-N 2.81Å; N299-T302 PolarHBondContact OD1-OG1 3.26Å; N299-V303 PolarHBondContact O-N 3.47Å
300	P	98.3	Very high	96.7	Very high	14 Å²	14	34.2 Å²	34.2	9%	0.091	18%	0.183	C	C	.	.	H	α-helix	trans	-59.9	-32.4	-179.7	-27.3	37.7	0	0	0	114.2	L292 V303 M304	L292-P300 HydrophobicContact CD2-CG 4.27Å; P300-V303 PolarHBondContact O-N 2.92Å; P300-M304 WeakPolarHBondContact O-CB 3.31Å; P300-M304 WeakPolarHBondContact O-CG 3.33Å; P300-M304 PolarHBondContact O-N 3.41Å
301	E	98.1	Very high	96.8	Very high	101 Å²	101	33.7 Å²	33.7	47%	0.472	18%	0.183	S	C	.	.	H	α-helix	trans	-63.3	-46.7	-179.1	-65.8	66.5	-145.4	0	0	110.7	H289 N299 V303 M304 S305	H289-E301 IonicContact CE1-OE1 2.79Å; H289-E301 PolarHBondContact CE1-OE1 3.19Å; H289-E301 VanDerWaalsContact CE1-OE1 3.27Å; H289-E301 IonicContact CE1-OE2 3.52Å; H289-E301 IonicContact NE2-OE1 3.16Å; H289-E301 PolarHBondContact NE2-OE1 3.45Å; H289-E301 IonicContact NE2-OE2 3.46Å; H289-E301 PolarHBondContact NE2-OE2 2.84Å; N299-E301 VanDerWaalsContact C-N 3.27Å; N299-E301 WeakPolarHBondContact CB-OE2 3.25Å; N299-E301 PolarHBondContact O-N 3.23Å; N299-E301 PolarHBondContact OD1-N 3.04Å; E301-V303 VanDerWaalsContact C-N 3.32Å; E301-V303 PolarHBondContact O-N 3.2Å; E301-M304 PolarHBondContact O-N 2.86Å; E301-S305 PolarHBondContact O-N 3.04Å; E301-S305 PolarHBondContact O-OG 2.94Å
302	T	98.2	Very high	96.9	Very high	40 Å²	40	37.2 Å²	37.2	25%	0.245	20%	0.2	C	C	.	.	H	α-helix	trans	-62.1	-41.5	176.7	-56	0	0	0	0	110.9	A297 N299 S305 F306 M676	A297-T302 HydrophobicContact CB-CG2 4.47Å; A297-T302 WeakPolarHBondContact O-CB 3.35Å; A297-T302 WeakPolarHBondContact O-CG2 3.19Å; A297-T302 PolarHBondContact O-OG1 3.38Å; N299-T302 PolarHBondContact O-N 2.94Å; N299-T302 VanDerWaalsContact OD1-CB 3.3Å; N299-T302 WeakPolarHBondContact OD1-CB 3.26Å; N299-T302 PolarHBondContact OD1-N 2.81Å; N299-T302 PolarHBondContact OD1-OG1 3.26Å; T302-S305 PolarHBondContact O-N 3.47Å; T302-F306 WeakPolarHBondContact O-CB 3.15Å; T302-F306 PolarHBondContact O-N 2.92Å; T302-M676 HydrophobicContact CG2-CE 3.84Å; T302-M676 HydrophobicContact CG2-CG 4.04Å; T302-M676 HydrophobicContact CG2-SD 4.01Å
303	V	98.4	Very high	97	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-61.9	-49	175.4	176.2	0	0	0	0	110.9	L292 A297 N299 P300 E301 S305 F306 L307 Q571 Y619	L292-V303 HydrophobicContact CD2-CG2 3.64Å; A297-V303 HydrophobicContact CB-CG2 3.54Å; N299-V303 PolarHBondContact O-N 3.47Å; P300-V303 PolarHBondContact O-N 2.92Å; E301-V303 VanDerWaalsContact C-N 3.32Å; E301-V303 PolarHBondContact O-N 3.2Å; V303-S305 VanDerWaalsContact C-N 3.32Å; V303-S305 PolarHBondContact O-N 3.03Å; V303-F306 WeakPolarHBondContact O-CB 3.44Å; V303-F306 PolarHBondContact O-N 2.94Å; V303-L307 HydrophobicContact CG1-CD1 3.89Å; V303-L307 HydrophobicContact CG1-CG 4.21Å; V303-L307 VanDerWaalsContact O-CG 3.29Å; V303-L307 WeakPolarHBondContact O-CG 3.28Å; V303-L307 PolarHBondContact O-N 3.16Å; V303-Q571 HydrophobicContact CB-CG 4.37Å; V303-Q571 HydrophobicContact CG1-CG 3.7Å; V303-Y619 HydrophobicContact CB-CD1 4.38Å; V303-Y619 HydrophobicContact CB-CG 4.35Å; V303-Y619 HydrophobicContact CG1-CD1 3.75Å; V303-Y619 HydrophobicContact CG1-CD2 4.14Å; V303-Y619 HydrophobicContact CG1-CG 3.53Å; V303-Y619 HydrophobicContact CG2-CD1 3.66Å; V303-Y619 HydrophobicContact CG2-CD2 3.9Å; V303-Y619 HydrophobicContact CG2-CE1 3.59Å; V303-Y619 HydrophobicContact CG2-CE2 3.85Å; V303-Y619 HydrophobicContact CG2-CG 3.82Å
304	M	98.4	Very high	97.2	Very high	44 Å²	44	36 Å²	36	22%	0.217	20%	0.195	C	C	.	.	H	α-helix	trans	-64.5	-36.6	179.8	-70.9	-55.9	-59.1	0	0	112.2	P300 E301 L307 Q308 A568 Q571 F593	P300-M304 WeakPolarHBondContact O-CB 3.31Å; P300-M304 WeakPolarHBondContact O-CG 3.33Å; P300-M304 PolarHBondContact O-N 3.41Å; E301-M304 PolarHBondContact O-N 2.86Å; M304-L307 PolarHBondContact O-N 3.42Å; M304-L307 HydrophobicContact SD-CD1 4.25Å; M304-Q308 VanDerWaalsContact O-CB 3.3Å; M304-Q308 WeakPolarHBondContact O-CB 3.34Å; M304-Q308 PolarHBondContact O-N 3.38Å; M304-A568 HydrophobicContact CE-CB 4.38Å; M304-Q571 HydrophobicContact CG-CB 4.47Å; M304-Q571 HydrophobicContact SD-CB 3.78Å; M304-Q571 HydrophobicContact SD-CG 3.98Å; M304-F593 HydrophobicContact CE-CZ 4.09Å
305	S	98.4	Very high	97.5	Very high	82 Å²	82	37.8 Å²	37.8	57%	0.573	20%	0.202	S	C	*	.	H	α-helix	trans	-62.5	-44.2	171.7	-66.8	0	0	0	0	112.1	E301 T302 V303 L309	E301-S305 PolarHBondContact O-N 3.04Å; E301-S305 PolarHBondContact O-OG 2.94Å; T302-S305 PolarHBondContact O-N 3.47Å; V303-S305 VanDerWaalsContact C-N 3.32Å; V303-S305 PolarHBondContact O-N 3.03Å; S305-L309 VanDerWaalsContact O-CB 3.31Å; S305-L309 WeakPolarHBondContact O-CB 3.31Å; S305-L309 PolarHBondContact O-N 2.91Å
306	F	98.6	Very high	97.6	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-60	-48.9	175.2	165.8	-99.2	0	0	0	111.9	T302 V303 Q308 L309 L310 L622 M623 M676 F679 V680 L683	T302-F306 WeakPolarHBondContact O-CB 3.15Å; T302-F306 PolarHBondContact O-N 2.92Å; V303-F306 WeakPolarHBondContact O-CB 3.44Å; V303-F306 PolarHBondContact O-N 2.94Å; F306-Q308 PolarHBondContact O-N 3.41Å; F306-L309 PolarHBondContact O-N 3.15Å; F306-L310 HydrophobicContact CZ-CD2 4.45Å; F306-L310 WeakPolarHBondContact O-CB 3.44Å; F306-L310 PolarHBondContact O-N 2.99Å; F306-L622 HydrophobicContact CE1-CB 3.98Å; F306-L622 HydrophobicContact CZ-CB 4.19Å; F306-M623 HydrophobicContact CD1-CE 4.46Å; F306-M623 HydrophobicContact CG-CE 4.34Å; F306-M676 HydrophobicContact CB-SD 4.27Å; F306-M676 HydrophobicContact CD2-SD 4.37Å; F306-F679 HydrophobicContact CD2-CB 4.42Å; F306-F679 HydrophobicContact CE2-CB 3.89Å; F306-V680 HydrophobicContact CD2-CG2 3.58Å; F306-V680 HydrophobicContact CE2-CG2 3.71Å; F306-L683 HydrophobicContact CE2-CD1 4.34Å; F306-L683 HydrophobicContact CZ-CD1 3.78Å
307	L	98.6	Very high	97.6	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-65.3	-38.4	-179.6	-66.4	178.3	0	0	0	112.8	V303 M304 T311 V564 A567 A568 L622	V303-L307 HydrophobicContact CG1-CD1 3.89Å; V303-L307 HydrophobicContact CG1-CG 4.21Å; V303-L307 VanDerWaalsContact O-CG 3.29Å; V303-L307 WeakPolarHBondContact O-CG 3.28Å; V303-L307 PolarHBondContact O-N 3.16Å; M304-L307 PolarHBondContact O-N 3.42Å; M304-L307 HydrophobicContact SD-CD1 4.25Å; L307-T311 PolarHBondContact O-N 3.43Å; L307-T311 PolarHBondContact O-OG1 3.3Å; L307-V564 HydrophobicContact CB-CG1 4.09Å; L307-V564 HydrophobicContact CD2-CG1 4.2Å; L307-V564 HydrophobicContact CD2-CG2 4.28Å; L307-A567 HydrophobicContact CD1-CB 3.78Å; L307-A567 HydrophobicContact CD2-CB 3.85Å; L307-A567 HydrophobicContact CG-CB 4.49Å; L307-A568 HydrophobicContact CD1-CB 4.13Å; L307-L622 HydrophobicContact CD2-CD1 3.88Å
308	Q	98.3	Very high	97.6	Very high	62 Å²	62	48.6 Å²	48.6	29%	0.29	25%	0.25	S	C	.	.	H	α-helix	trans	-68	-46.7	176.3	-172.1	62.3	62.4	0	0	111.1	M304 F306 L310 T311 D312	M304-Q308 VanDerWaalsContact O-CB 3.3Å; M304-Q308 WeakPolarHBondContact O-CB 3.34Å; M304-Q308 PolarHBondContact O-N 3.38Å; F306-Q308 PolarHBondContact O-N 3.41Å; Q308-L310 VanDerWaalsContact C-N 3.29Å; Q308-L310 PolarHBondContact O-N 3.18Å; Q308-T311 WeakPolarHBondContact O-CB 3.38Å; Q308-T311 PolarHBondContact O-N 2.84Å; Q308-T311 VanDerWaalsContact O-N 3.15Å; Q308-D312 PolarHBondContact NE2-OD1 3.32Å; Q308-D312 PolarHBondContact O-N 3.22Å
309	L	98.4	Very high	97.7	Very high	53 Å²	53	46.9 Å²	46.9	28%	0.277	25%	0.252	S	S	.	.	H	α-helix	trans	-60	-40.5	177.7	-177.9	61.9	0	0	0	111.8	S305 F306 D312 K313 E677 V680	S305-L309 VanDerWaalsContact O-CB 3.31Å; S305-L309 WeakPolarHBondContact O-CB 3.31Å; S305-L309 PolarHBondContact O-N 2.91Å; F306-L309 PolarHBondContact O-N 3.15Å; L309-D312 PolarHBondContact O-N 3.45Å; L309-K313 PolarHBondContact O-N 2.88Å; L309-K313 VanDerWaalsContact O-N 3.08Å; L309-E677 HydrophobicContact CD2-CB 4.2Å; L309-E677 HydrophobicContact CD2-CG 4.46Å; L309-V680 HydrophobicContact CB-CG2 4.2Å; L309-V680 HydrophobicContact CD2-CB 4.24Å; L309-V680 HydrophobicContact CD2-CG2 3.94Å; L309-V680 HydrophobicContact CG-CB 4.35Å; L309-V680 HydrophobicContact CG-CG1 4.18Å; L309-V680 HydrophobicContact CG-CG2 4.05Å
310	L	98.3	Very high	97.7	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-63.6	-44.9	174.7	-177	57.1	0	0	0	112	F306 Q308 D312 K313 L314 T560 V564 L622 V680 L683 V684	F306-L310 HydrophobicContact CZ-CD2 4.45Å; F306-L310 WeakPolarHBondContact O-CB 3.44Å; F306-L310 PolarHBondContact O-N 2.99Å; Q308-L310 VanDerWaalsContact C-N 3.29Å; Q308-L310 PolarHBondContact O-N 3.18Å; L310-D312 VanDerWaalsContact C-N 3.31Å; L310-D312 PolarHBondContact O-N 2.8Å; L310-K313 PolarHBondContact O-N 3.33Å; L310-L314 HydrophobicContact CD1-CD1 3.7Å; L310-L314 HydrophobicContact CD1-CG 3.93Å; L310-L314 HydrophobicContact CG-CD1 3.89Å; L310-L314 HydrophobicContact CG-CG 4.43Å; L310-L314 WeakPolarHBondContact O-CB 3.41Å; L310-L314 VanDerWaalsContact O-CG 3.29Å; L310-L314 WeakPolarHBondContact O-CG 3.44Å; L310-L314 PolarHBondContact O-N 3.3Å; L310-T560 HydrophobicContact CD2-CG2 4.1Å; L310-V564 HydrophobicContact CD2-CG2 3.64Å; L310-V564 HydrophobicContact CG-CG2 4.13Å; L310-L622 HydrophobicContact CD2-CD1 4.27Å; L310-V680 HydrophobicContact CB-CG1 4.15Å; L310-V680 HydrophobicContact CB-CG2 4.17Å; L310-V680 HydrophobicContact CD1-CG1 3.94Å; L310-L683 HydrophobicContact CD1-CB 4.11Å; L310-L683 HydrophobicContact CD1-CD1 4.3Å; L310-L683 HydrophobicContact CD2-CD1 3.71Å; L310-V684 HydrophobicContact CD1-CG2 3.94Å
311	T	98.1	Very high	97.6	Very high	18 Å²	18	51.1 Å²	51.1	11%	0.11	27%	0.268	C	S	.	.	H	α-helix	trans	-57.8	-45.2	174.9	-63.2	0	0	0	0	111.3	L307 Q308 K313 L314 S315 Q561 V564 F593	L307-T311 PolarHBondContact O-N 3.43Å; L307-T311 PolarHBondContact O-OG1 3.3Å; Q308-T311 WeakPolarHBondContact O-CB 3.38Å; Q308-T311 PolarHBondContact O-N 2.84Å; Q308-T311 VanDerWaalsContact O-N 3.15Å; T311-K313 PolarHBondContact O-N 3.48Å; T311-L314 PolarHBondContact O-N 2.99Å; T311-S315 PolarHBondContact O-N 2.92Å; T311-Q561 PolarHBondContact OG1-NE2 2.99Å; T311-V564 WeakPolarHBondContact OG1-CG1 3.47Å; T311-F593 HydrophobicContact CG2-CD1 4.48Å
312	D	97.8	Very high	97.6	Very high	90 Å²	90	46.7 Å²	46.7	48%	0.481	25%	0.247	S	C	.	.	H	α-helix	trans	-63.1	-46.1	-177.8	-63.9	-15.8	0	0	0	110.9	Q308 L309 L310 L314 S315	Q308-D312 PolarHBondContact NE2-OD1 3.32Å; Q308-D312 PolarHBondContact O-N 3.22Å; L309-D312 PolarHBondContact O-N 3.45Å; L310-D312 VanDerWaalsContact C-N 3.31Å; L310-D312 PolarHBondContact O-N 2.8Å; D312-L314 PolarHBondContact O-N 3.42Å; D312-S315 PolarHBondContact O-OG 2.87Å
313	K	97.9	Very high	97.5	Very high	69 Å²	69	48.2 Å²	48.2	30%	0.3	25%	0.251	S	S	.	.	H	α-helix	trans	-69.4	-28	177.8	-65.6	-158.5	-172.1	-169.1	0	113.2	L309 L310 T311 E677 V680 D681 V684	L309-K313 PolarHBondContact O-N 2.88Å; L309-K313 VanDerWaalsContact O-N 3.08Å; L310-K313 PolarHBondContact O-N 3.33Å; T311-K313 PolarHBondContact O-N 3.48Å; K313-E677 IonicContact NZ-OE1 3.74Å; K313-E677 PolarHBondContact NZ-OE1 2.99Å; K313-V680 HydrophobicContact CB-CG1 4.46Å; K313-V680 HydrophobicContact CD-CG1 3.93Å; K313-V680 HydrophobicContact CG-CG1 4.32Å; K313-D681 WeakPolarHBondContact CD-OD1 3.41Å; K313-D681 IonicContact NZ-OD1 2.87Å; K313-D681 PolarHBondContact NZ-OD1 2.97Å; K313-D681 IonicContact NZ-OD2 2.61Å; K313-D681 PolarHBondContact NZ-OD2 3.49Å; K313-V684 HydrophobicContact CB-CG2 3.81Å
314	L	96.7	Very high	97.3	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.005	26%	0.262	C	S	.	.	H	α-helix	trans	-88.3	-21	179.2	-69.4	-178.5	0	0	0	114.5	L310 T311 D312 Q316 R317 T318 A557 T560 V684 L687	L310-L314 HydrophobicContact CD1-CD1 3.7Å; L310-L314 HydrophobicContact CD1-CG 3.93Å; L310-L314 HydrophobicContact CG-CD1 3.89Å; L310-L314 HydrophobicContact CG-CG 4.43Å; L310-L314 WeakPolarHBondContact O-CB 3.41Å; L310-L314 VanDerWaalsContact O-CG 3.29Å; L310-L314 WeakPolarHBondContact O-CG 3.44Å; L310-L314 PolarHBondContact O-N 3.3Å; T311-L314 PolarHBondContact O-N 2.99Å; D312-L314 PolarHBondContact O-N 3.42Å; L314-Q316 VanDerWaalsContact C-N 3.35Å; L314-Q316 PolarHBondContact O-N 2.9Å; L314-Q316 VanDerWaalsContact O-N 3.08Å; L314-R317 WeakPolarHBondContact O-CA 3.24Å; L314-R317 WeakPolarHBondContact O-CB 3.42Å; L314-R317 PolarHBondContact O-N 3.45Å; L314-T318 PolarHBondContact O-N 2.81Å; L314-T318 PolarHBondContact O-OG1 2.64Å; L314-A557 HydrophobicContact CD2-CB 4.29Å; L314-T560 HydrophobicContact CD1-CG2 3.59Å; L314-V684 HydrophobicContact CD2-CG2 3.98Å; L314-V684 HydrophobicContact CG-CG2 4.35Å; L314-L687 HydrophobicContact CD2-CD1 3.53Å
315	S	95.9	Very high	97.3	Very high	63 Å²	63	48.3 Å²	48.3	44%	0.441	25%	0.252	S	S	.	.	H	α-helix	trans	-39.8	-53.3	-171.2	59.5	0	0	0	0	115.2	T311 D312 R317 A319	T311-S315 PolarHBondContact O-N 2.92Å; D312-S315 PolarHBondContact O-OG 2.87Å; S315-R317 PolarHBondContact O-N 3.15Å; S315-A319 WeakPolarHBondContact O-CB 3.28Å; S315-A319 PolarHBondContact O-N 3Å
316	Q	96.4	Very high	97.1	Very high	150 Å²	150	48 Å²	48	70%	0.701	24%	0.238	S	C	*	.	H	α-helix	trans	-66.5	-36.9	179.9	-66.3	-171.5	5.2	0	0	113.2	L314 K320	L314-Q316 VanDerWaalsContact C-N 3.35Å; L314-Q316 PolarHBondContact O-N 2.9Å; L314-Q316 VanDerWaalsContact O-N 3.08Å; Q316-K320 WeakPolarHBondContact O-CG 3.48Å; Q316-K320 PolarHBondContact O-N 3.21Å
317	R	96.3	Very high	97	Very high	81 Å²	81	51.8 Å²	51.8	31%	0.306	26%	0.258	S	S	.	.	H	α-helix	trans	-71.7	-44.2	178.4	-64.2	-174.3	-175.7	-150.4	2.6	110.5	L314 S315 A319 K320 D321 A557 L687 N688	L314-R317 WeakPolarHBondContact O-CA 3.24Å; L314-R317 WeakPolarHBondContact O-CB 3.42Å; L314-R317 PolarHBondContact O-N 3.45Å; S315-R317 PolarHBondContact O-N 3.15Å; R317-A319 VanDerWaalsContact C-N 3.3Å; R317-A319 PolarHBondContact O-N 3.43Å; R317-K320 WeakPolarHBondContact O-CB 3.45Å; R317-K320 PolarHBondContact O-N 2.89Å; R317-K320 VanDerWaalsContact O-N 3.08Å; R317-D321 PolarHBondContact O-N 3Å; R317-A557 HydrophobicContact CB-CB 3.52Å; R317-L687 PolarHBondContact NH1-O 3.18Å; R317-N688 VanDerWaalsContact CZ-OD1 3.3Å; R317-N688 PolarHBondContact NH1-OD1 3.49Å; R317-N688 PolarHBondContact NH2-OD1 3.04Å
318	T	96.9	Very high	96.8	Very high	10 Å²	10	52.4 Å²	52.4	6%	0.061	26%	0.261	C	S	.	.	H	α-helix	trans	-57.4	-43.5	174.8	-58.4	0	0	0	0	111.5	L314 K320 D321 F322 A557 Q561	L314-T318 PolarHBondContact O-N 2.81Å; L314-T318 PolarHBondContact O-OG1 2.64Å; T318-K320 VanDerWaalsContact C-N 3.33Å; T318-K320 PolarHBondContact O-N 2.87Å; T318-D321 PolarHBondContact O-N 2.88Å; T318-F322 HydrophobicContact CG2-CD2 3.83Å; T318-F322 HydrophobicContact CG2-CE2 3.45Å; T318-F322 VanDerWaalsContact CG2-CE2 3.45Å; T318-F322 HydrophobicContact CG2-CZ 4.24Å; T318-F322 WeakPolarHBondContact O-CD2 3.45Å; T318-F322 PolarHBondContact O-N 2.64Å; T318-A557 PolarHBondContact OG1-O 3.06Å; T318-Q561 HydrophobicContact CG2-CB 4.01Å; T318-Q561 HydrophobicContact CG2-CG 4.03Å
319	A	96.6	Very high	96.7	Very high	56 Å²	56	49.5 Å²	49.5	46%	0.463	25%	0.248	S	C	.	.	H	α-helix	trans	-61.7	-39.9	176.2	0	0	0	0	0	112.6	S315 R317 Q323	S315-A319 WeakPolarHBondContact O-CB 3.28Å; S315-A319 PolarHBondContact O-N 3Å; R317-A319 VanDerWaalsContact C-N 3.3Å; R317-A319 PolarHBondContact O-N 3.43Å; A319-Q323 WeakPolarHBondContact O-CB 3.45Å; A319-Q323 PolarHBondContact O-N 3.43Å
320	K	96.5	Very high	96.5	Very high	138 Å²	138	51.6 Å²	51.6	60%	0.6	26%	0.255	S	S	*	.	H	α-helix	trans	-66.2	-42.3	174.2	-72	176	-177	-179.9	0	111.7	Q316 R317 T318 Q323 M324	Q316-K320 WeakPolarHBondContact O-CG 3.48Å; Q316-K320 PolarHBondContact O-N 3.21Å; R317-K320 WeakPolarHBondContact O-CB 3.45Å; R317-K320 PolarHBondContact O-N 2.89Å; R317-K320 VanDerWaalsContact O-N 3.08Å; T318-K320 VanDerWaalsContact C-N 3.33Å; T318-K320 PolarHBondContact O-N 2.87Å; K320-Q323 WeakPolarHBondContact O-CB 3.17Å; K320-Q323 PolarHBondContact O-N 2.87Å; K320-Q323 VanDerWaalsContact O-N 3.12Å; K320-M324 WeakPolarHBondContact O-CG 3.23Å; K320-M324 PolarHBondContact O-N 3.32Å
321	D	97	Very high	96.3	Very high	15 Å²	15	57.7 Å²	57.7	8%	0.08	28%	0.281	C	S	.	.	H	α-helix	trans	-59.8	-48.8	177.7	-74.5	-7.7	0	0	0	111.9	R317 T318 Q323 M324 M325 C555 G556 A557 A558	R317-D321 PolarHBondContact O-N 3Å; T318-D321 PolarHBondContact O-N 2.88Å; D321-Q323 VanDerWaalsContact C-N 3.26Å; D321-Q323 PolarHBondContact O-N 2.63Å; D321-M324 HydrophobicContact CB-CE 4.3Å; D321-M324 PolarHBondContact O-N 3.4Å; D321-M324 WeakPolarHBondContact OD1-CE 3.42Å; D321-M325 HydrophobicContact CB-CE 4.43Å; D321-M325 WeakPolarHBondContact O-CG 3.41Å; D321-M325 PolarHBondContact O-N 3.16Å; D321-C555 VanDerWaalsContact OD2-CA 3.26Å; D321-C555 WeakPolarHBondContact OD2-CA 3.37Å; D321-G556 PolarHBondContact OD2-N 3.15Å; D321-A557 WeakPolarHBondContact OD2-CA 3.29Å; D321-A557 VanDerWaalsContact OD2-CB 3.27Å; D321-A557 WeakPolarHBondContact OD2-CB 3.33Å; D321-A557 PolarHBondContact OD2-N 3Å; D321-A558 HydrophobicContact CB-CB 3.71Å; D321-A558 PolarHBondContact OD2-N 3.37Å; D321-A558 VanDerWaalsContact OD2-N 3.08Å
322	F	97	Very high	96	Very high	8 Å²	8	60.9 Å²	60.9	4%	0.035	30%	0.297	C	S	.	.	H	α-helix	trans	-66.2	-29.1	174.8	-68.7	-44.3	0	0	0	113.1	T318 M325 R326 L339 A558 Y594 L596	T318-F322 HydrophobicContact CG2-CD2 3.83Å; T318-F322 HydrophobicContact CG2-CE2 3.45Å; T318-F322 VanDerWaalsContact CG2-CE2 3.45Å; T318-F322 HydrophobicContact CG2-CZ 4.24Å; T318-F322 WeakPolarHBondContact O-CD2 3.45Å; T318-F322 PolarHBondContact O-N 2.64Å; F322-M325 HydrophobicContact CD1-CE 4.06Å; F322-M325 HydrophobicContact CD1-SD 3.96Å; F322-M325 HydrophobicContact CE1-CE 4.31Å; F322-M325 HydrophobicContact CE1-SD 4.41Å; F322-M325 PolarHBondContact O-N 3.4Å; F322-R326 WeakPolarHBondContact O-CB 3.23Å; F322-R326 WeakPolarHBondContact O-CG 3.34Å; F322-R326 PolarHBondContact O-N 3.11Å; F322-L339 HydrophobicContact CB-CD2 4.13Å; F322-L339 HydrophobicContact CD1-CD2 3.9Å; F322-L339 HydrophobicContact CG-CD2 4.39Å; F322-A558 HydrophobicContact CD1-CB 4.2Å; F322-A558 HydrophobicContact CE1-CB 3.77Å; F322-A558 HydrophobicContact CZ-CB 4Å; F322-Y594 VanDerWaalsContact CE2-O 3.22Å; F322-Y594 WeakPolarHBondContact CE2-O 3.43Å; F322-Y594 HydrophobicContact CZ-CD2 4.29Å; F322-Y594 HydrophobicContact CZ-CE2 4.22Å; F322-Y594 VanDerWaalsContact CZ-O 3.26Å; F322-Y594 WeakPolarHBondContact CZ-O 3.3Å; F322-L596 HydrophobicContact CD1-CD2 3.83Å; F322-L596 HydrophobicContact CD1-CG 4.25Å; F322-L596 HydrophobicContact CE1-CD1 3.91Å; F322-L596 HydrophobicContact CE1-CD2 3.82Å; F322-L596 HydrophobicContact CE1-CG 3.7Å; F322-L596 HydrophobicContact CG-CD2 4.27Å; F322-L596 HydrophobicContact CZ-CD1 4.43Å; F322-L596 HydrophobicContact CZ-CD2 4.22Å; F322-L596 HydrophobicContact CZ-CG 3.87Å
323	Q	96.5	Very high	95.6	Very high	72 Å²	72	58.7 Å²	58.7	34%	0.336	29%	0.285	S	S	.	.	H	α-helix	trans	-66.7	-44.7	173.3	-172.4	53.4	42.2	0	0	111.4	A319 K320 D321 M325 R326 D327	A319-Q323 WeakPolarHBondContact O-CB 3.45Å; A319-Q323 PolarHBondContact O-N 3.43Å; K320-Q323 WeakPolarHBondContact O-CB 3.17Å; K320-Q323 PolarHBondContact O-N 2.87Å; K320-Q323 VanDerWaalsContact O-N 3.12Å; D321-Q323 VanDerWaalsContact C-N 3.26Å; D321-Q323 PolarHBondContact O-N 2.63Å; Q323-M325 VanDerWaalsContact C-N 3.31Å; Q323-M325 PolarHBondContact O-N 2.84Å; Q323-R326 WeakPolarHBondContact O-CB 3.45Å; Q323-R326 PolarHBondContact O-N 2.86Å; Q323-D327 VanDerWaalsContact NE2-CG 3.29Å; Q323-D327 PolarHBondContact NE2-OD1 3.11Å; Q323-D327 PolarHBondContact NE2-OD2 3.03Å; Q323-D327 VanDerWaalsContact O-CG 3.32Å; Q323-D327 PolarHBondContact O-N 3.23Å
324	M	95.6	Very high	95.1	Very high	47 Å²	47	60.4 Å²	60.4	23%	0.232	30%	0.303	C	S	.	.	H	α-helix	trans	-58.8	-42.2	174.5	-66.9	-175.6	-63.4	0	0	111.7	K320 D321 D327 M328 L351 R355	K320-M324 WeakPolarHBondContact O-CG 3.23Å; K320-M324 PolarHBondContact O-N 3.32Å; D321-M324 HydrophobicContact CB-CE 4.3Å; D321-M324 PolarHBondContact O-N 3.4Å; D321-M324 WeakPolarHBondContact OD1-CE 3.42Å; M324-D327 PolarHBondContact O-N 3.27Å; M324-M328 WeakPolarHBondContact O-CB 3.24Å; M324-M328 PolarHBondContact O-N 2.83Å; M324-L351 HydrophobicContact CB-CD1 4.1Å; M324-L351 HydrophobicContact CB-CD2 4.48Å; M324-R355 PolarHBondContact SD-NH2 2.87Å
325	M	96.6	Very high	94.6	Very high	0 Å²	0	72 Å²	72	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-64.6	-42.5	175.3	-67.5	176.8	-144.7	0	0	112.4	D321 F322 Q323 D327 M328 K329 L339 H344 L347 L351 C555 A558	D321-M325 HydrophobicContact CB-CE 4.43Å; D321-M325 WeakPolarHBondContact O-CG 3.41Å; D321-M325 PolarHBondContact O-N 3.16Å; F322-M325 HydrophobicContact CD1-CE 4.06Å; F322-M325 HydrophobicContact CD1-SD 3.96Å; F322-M325 HydrophobicContact CE1-CE 4.31Å; F322-M325 HydrophobicContact CE1-SD 4.41Å; F322-M325 PolarHBondContact O-N 3.4Å; Q323-M325 VanDerWaalsContact C-N 3.31Å; Q323-M325 PolarHBondContact O-N 2.84Å; M325-D327 VanDerWaalsContact C-N 3.31Å; M325-D327 PolarHBondContact O-N 3.16Å; M325-M328 PolarHBondContact O-N 2.85Å; M325-K329 WeakPolarHBondContact O-CB 3.39Å; M325-K329 PolarHBondContact O-N 3.08Å; M325-L339 HydrophobicContact CB-CD1 3.92Å; M325-L339 HydrophobicContact CB-CD2 3.76Å; M325-L339 HydrophobicContact SD-CD2 4.27Å; M325-H344 WeakPolarHBondContact CE-CD2 3.48Å; M325-H344 VanDerWaalsContact CE-NE2 3.32Å; M325-H344 WeakPolarHBondContact CE-NE2 3.35Å; M325-H344 PolarHBondContact SD-CD2 3Å; M325-L347 HydrophobicContact CB-CB 4.26Å; M325-L347 HydrophobicContact CB-CD1 4.13Å; M325-L347 HydrophobicContact CG-CB 4.12Å; M325-L351 HydrophobicContact CB-CD1 4.5Å; M325-L351 HydrophobicContact CG-CD1 3.81Å; M325-C555 HydrophobicContact CE-CB 3.68Å; M325-C555 VanDerWaalsContact CE-SG 3.57Å; M325-A558 HydrophobicContact CE-CB 3.64Å
326	R	96.1	Very high	94.1	Very high	76 Å²	76	71.5 Å²	71.5	29%	0.287	34%	0.34	S	S	.	.	H	α-helix	trans	-59.1	-43.2	175.3	-81.8	-174.5	-69.2	-89.4	1.5	111.9	F322 Q323 K329 K330 L339	F322-R326 WeakPolarHBondContact O-CB 3.23Å; F322-R326 WeakPolarHBondContact O-CG 3.34Å; F322-R326 PolarHBondContact O-N 3.11Å; Q323-R326 WeakPolarHBondContact O-CB 3.45Å; Q323-R326 PolarHBondContact O-N 2.86Å; R326-K329 PolarHBondContact O-N 2.89Å; R326-K330 WeakPolarHBondContact O-CG 2.86Å; R326-K330 PolarHBondContact O-N 3.26Å; R326-L339 HydrophobicContact CG-CB 3.65Å; R326-L339 HydrophobicContact CG-CD2 4.05Å; R326-L339 HydrophobicContact CG-CG 4.47Å
327	D	95.6	Very high	93.4	Very high	79 Å²	79	66.2 Å²	66.2	42%	0.422	32%	0.322	S	S	.	.	H	α-helix	trans	-69.2	-38.9	-180	-64.3	-28.1	0	0	0	111.2	Q323 M324 M325 K330 K331	Q323-D327 VanDerWaalsContact NE2-CG 3.29Å; Q323-D327 PolarHBondContact NE2-OD1 3.11Å; Q323-D327 PolarHBondContact NE2-OD2 3.03Å; Q323-D327 VanDerWaalsContact O-CG 3.32Å; Q323-D327 PolarHBondContact O-N 3.23Å; M324-D327 PolarHBondContact O-N 3.27Å; M325-D327 VanDerWaalsContact C-N 3.31Å; M325-D327 PolarHBondContact O-N 3.16Å; D327-K330 PolarHBondContact O-N 3.01Å; D327-K331 PolarHBondContact O-N 2.92Å
328	M	95.2	Very high	93.2	Very high	12 Å²	12	68.3 Å²	68.3	6%	0.059	34%	0.335	C	S	.	.	H	α-helix	trans	-62.7	-45.2	171.8	-173.1	55.1	70.3	0	0	112	M324 M325 K330 K331 L332 L347 V350 L351 E354	M324-M328 WeakPolarHBondContact O-CB 3.24Å; M324-M328 PolarHBondContact O-N 2.83Å; M325-M328 PolarHBondContact O-N 2.85Å; M328-K330 VanDerWaalsContact C-N 3.34Å; M328-K330 PolarHBondContact O-N 3.37Å; M328-K331 WeakPolarHBondContact O-CB 3.39Å; M328-K331 PolarHBondContact O-N 3.12Å; M328-K331 VanDerWaalsContact O-N 3.11Å; M328-K331 HydrophobicContact SD-CD 4.07Å; M328-L332 HydrophobicContact CG-CD1 4.1Å; M328-L332 HydrophobicContact CG-CG 4.43Å; M328-L332 WeakPolarHBondContact O-CG 3.34Å; M328-L332 PolarHBondContact O-N 3.03Å; M328-L332 HydrophobicContact SD-CD1 4.34Å; M328-L332 HydrophobicContact SD-CG 4.2Å; M328-L347 HydrophobicContact CB-CD2 4.31Å; M328-L347 HydrophobicContact CG-CD2 3.93Å; M328-V350 HydrophobicContact CE-CG1 4.42Å; M328-V350 HydrophobicContact CG-CG1 4.07Å; M328-V350 HydrophobicContact SD-CG1 3.97Å; M328-L351 HydrophobicContact CB-CD2 4.14Å; M328-L351 HydrophobicContact CB-CG 4.26Å; M328-L351 HydrophobicContact CE-CD2 3.56Å; M328-L351 HydrophobicContact CE-CG 4.23Å; M328-L351 HydrophobicContact CG-CD2 4.42Å; M328-L351 HydrophobicContact CG-CG 4.34Å; M328-E354 WeakPolarHBondContact CE-OE2 3.48Å
329	K	95.1	Very high	93.1	Very high	2 Å²	2	68.2 Å²	68.2	1%	0.009	33%	0.334	C	S	.	.	H	α-helix	trans	-59.3	-45	177.5	-169.8	171.6	-176.4	175.8	0	111.6	M325 R326 K331 L332 N333 N336 E338 D343 L347	M325-K329 WeakPolarHBondContact O-CB 3.39Å; M325-K329 PolarHBondContact O-N 3.08Å; R326-K329 PolarHBondContact O-N 2.89Å; K329-K331 VanDerWaalsContact C-N 3.29Å; K329-K331 PolarHBondContact O-N 2.93Å; K329-L332 PolarHBondContact O-N 2.84Å; K329-N333 PolarHBondContact O-N 3.45Å; K329-N336 WeakPolarHBondContact CE-O 3.33Å; K329-E338 WeakPolarHBondContact CD-O 3.34Å; K329-E338 WeakPolarHBondContact CE-O 3.28Å; K329-E338 PolarHBondContact NZ-O 2.87Å; K329-D343 IonicContact NZ-OD1 2.9Å; K329-D343 IonicContact NZ-OD2 3.66Å; K329-D343 PolarHBondContact NZ-OD2 2.87Å; K329-L347 HydrophobicContact CB-CD1 3.84Å; K329-L347 HydrophobicContact CB-CD2 4.39Å; K329-L347 HydrophobicContact CD-CD1 4.44Å; K329-L347 HydrophobicContact CG-CD1 4.4Å
330	K	94.3	Very high	93.1	Very high	97 Å²	97	66.4 Å²	66.4	42%	0.422	32%	0.316	S	S	.	.	H	α-helix	trans	-59.8	-38.1	175.3	-74.6	170.9	-175.2	173.2	0	112.7	R326 D327 M328 P334 A337	R326-K330 WeakPolarHBondContact O-CG 2.86Å; R326-K330 PolarHBondContact O-N 3.26Å; D327-K330 PolarHBondContact O-N 3.01Å; M328-K330 VanDerWaalsContact C-N 3.34Å; M328-K330 PolarHBondContact O-N 3.37Å; K330-P334 WeakPolarHBondContact O-CA 2.91Å; K330-P334 WeakPolarHBondContact O-CG 3.45Å; K330-A337 HydrophobicContact CD-CB 4.36Å; K330-A337 HydrophobicContact CG-CB 3.57Å
331	K	93.4	Very high	93.1	Very high	127 Å²	127	60.1 Å²	60.1	55%	0.552	29%	0.29	S	S	*	.	H	α-helix	trans	-65.4	-44.5	176.4	-178.6	-172.9	173.3	-166.1	0	111.4	D327 M328 K329 E354	D327-K331 PolarHBondContact O-N 2.92Å; M328-K331 WeakPolarHBondContact O-CB 3.39Å; M328-K331 PolarHBondContact O-N 3.12Å; M328-K331 VanDerWaalsContact O-N 3.11Å; M328-K331 HydrophobicContact SD-CD 4.07Å; K329-K331 VanDerWaalsContact C-N 3.29Å; K329-K331 PolarHBondContact O-N 2.93Å; K331-E354 IonicContact NZ-OE1 3.44Å; K331-E354 PolarHBondContact NZ-OE1 3.43Å; K331-E354 IonicContact NZ-OE2 2.71Å; K331-E354 PolarHBondContact NZ-OE2 3.13Å
332	L	92.1	Very high	93	Very high	86 Å²	86	59.9 Å²	59.9	45%	0.45	29%	0.288	S	S	.	.	H	α-helix	trans	-77.1	-39.5	-177.8	-64	177.1	0	0	0	113	M328 K329 F346 L347 V350	M328-L332 HydrophobicContact CG-CD1 4.1Å; M328-L332 HydrophobicContact CG-CG 4.43Å; M328-L332 WeakPolarHBondContact O-CG 3.34Å; M328-L332 PolarHBondContact O-N 3.03Å; M328-L332 HydrophobicContact SD-CD1 4.34Å; M328-L332 HydrophobicContact SD-CG 4.2Å; K329-L332 PolarHBondContact O-N 2.84Å; L332-F346 HydrophobicContact CD1-CE1 3.96Å; L332-L347 HydrophobicContact CD1-CD2 3.96Å; L332-V350 HydrophobicContact CD1-CG1 4.29Å
333	N	90.1	Very high	93	Very high	43 Å²	43	59.5 Å²	59.5	23%	0.23	29%	0.286	C	S	.	.			trans	-138.6	83.6	-177.2	-171.3	-2.9	0	0	0	111.5	D247 K329 R335 N336	D247-N333 PolarHBondContact OD2-ND2 3.08Å; K329-N333 PolarHBondContact O-N 3.45Å; N333-R335 PolarHBondContact O-N 3.49Å; N333-R335 PolarHBondContact OD1-N 3.22Å; N333-N336 CarbonylContact O-C 3.56Å; N333-N336 PolarHBondContact O-N 2.8Å; N333-N336 VanDerWaalsContact O-N 3.11Å
334	P	87.4	Confident	93	Very high	105 Å²	105	56.1 Å²	56.1	68%	0.682	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-16.8	-179.2	-24.4	33.3	0	0	0	114.7	K330	K330-P334 WeakPolarHBondContact O-CA 2.91Å; K330-P334 WeakPolarHBondContact O-CG 3.45Å
335	R	86.3	Confident	92.9	Very high	244 Å²	244	56.4 Å²	56.4	92%	0.921	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-19.3	-179	-63.4	-178.3	179.6	178.4	0.5	113.1	N333	N333-R335 PolarHBondContact O-N 3.49Å; N333-R335 PolarHBondContact OD1-N 3.22Å
336	N	84.9	Confident	92.8	Very high	53 Å²	53	57.7 Å²	57.7	28%	0.283	28%	0.281	S	S	.	.			trans	-136.1	94.2	178	-175.2	-0.3	0	0	0	109.8	K329 N333	K329-N336 WeakPolarHBondContact CE-O 3.33Å; N333-N336 CarbonylContact O-C 3.56Å; N333-N336 PolarHBondContact O-N 2.8Å; N333-N336 VanDerWaalsContact O-N 3.11Å
337	A	81.5	Confident	92.8	Very high	39 Å²	39	54.1 Å²	54.1	32%	0.322	27%	0.268	S	S	.	.			trans	-93.9	-7.6	-174.5	0	0	0	0	0	114.3	K330 L339	K330-A337 HydrophobicContact CD-CB 4.36Å; K330-A337 HydrophobicContact CG-CB 3.57Å; A337-L339 PolarHBondContact O-N 3.29Å
338	E	91.4	Very high	92.7	Very high	125 Å²	125	50.6 Å²	50.6	58%	0.584	25%	0.249	S	C	*	.			trans	-77.1	122.9	-175.9	-175.7	173.3	-160.2	0	0	110.2	K329 M340	K329-E338 WeakPolarHBondContact CD-O 3.34Å; K329-E338 WeakPolarHBondContact CE-O 3.28Å; K329-E338 PolarHBondContact NZ-O 2.87Å; E338-M340 HydrophobicContact CG-CG 4.42Å; E338-M340 HydrophobicContact CG-SD 3.95Å
339	L	95.6	Very high	92.5	Very high	9 Å²	9	51.6 Å²	51.6	5%	0.047	26%	0.263	C	S	.	.			trans	-80.5	120.7	178.9	-179.9	68.3	0	0	0	110.3	F322 M325 R326 A337 D343 L347 L596	F322-L339 HydrophobicContact CB-CD2 4.13Å; F322-L339 HydrophobicContact CD1-CD2 3.9Å; F322-L339 HydrophobicContact CG-CD2 4.39Å; M325-L339 HydrophobicContact CB-CD1 3.92Å; M325-L339 HydrophobicContact CB-CD2 3.76Å; M325-L339 HydrophobicContact SD-CD2 4.27Å; R326-L339 HydrophobicContact CG-CB 3.65Å; R326-L339 HydrophobicContact CG-CD2 4.05Å; R326-L339 HydrophobicContact CG-CG 4.47Å; A337-L339 PolarHBondContact O-N 3.29Å; L339-D343 HydrophobicContact CD1-CB 3.78Å; L339-L347 HydrophobicContact CD1-CD1 3.39Å; L339-L596 HydrophobicContact CD2-CD2 3.67Å; L339-L596 HydrophobicContact CG-CD2 3.85Å
340	M	96.4	Very high	92.3	Very high	18 Å²	18	53 Å²	53	9%	0.089	27%	0.271	C	S	.	.			trans	-116.1	161.7	-177.8	-64.7	-59.8	-68.2	0	0	111.6	E338 W342 D343 P597	E338-M340 HydrophobicContact CG-CG 4.42Å; E338-M340 HydrophobicContact CG-SD 3.95Å; M340-W342 HydrophobicContact CB-CD2 3.69Å; M340-W342 VanDerWaalsContact CB-CE2 3.41Å; M340-W342 HydrophobicContact CB-CE3 3.9Å; M340-W342 HydrophobicContact CB-CG 4.42Å; M340-W342 HydrophobicContact CB-CH2 3.68Å; M340-W342 HydrophobicContact CB-CZ2 3.43Å; M340-W342 VanDerWaalsContact CB-CZ2 3.43Å; M340-W342 HydrophobicContact CB-CZ3 3.89Å; M340-W342 HydrophobicContact CE-CH2 3.51Å; M340-W342 HydrophobicContact CE-CZ2 4.34Å; M340-W342 HydrophobicContact CE-CZ3 3.71Å; M340-W342 HydrophobicContact CG-CH2 3.64Å; M340-W342 HydrophobicContact CG-CZ2 3.46Å; M340-W342 VanDerWaalsContact CG-CZ2 3.46Å; M340-W342 HydrophobicContact CG-CZ3 4.29Å; M340-W342 PolarHBondContact O-N 2.83Å; M340-W342 VanDerWaalsContact O-N 3.15Å; M340-W342 HydrophobicContact SD-CH2 4.39Å; M340-D343 PolarHBondContact N-OD2 3.39Å; M340-D343 WeakPolarHBondContact O-CB 3.42Å; M340-D343 PolarHBondContact O-N 3.23Å; M340-P597 HydrophobicContact CE-CG 4.02Å; M340-P597 HydrophobicContact SD-CG 3.56Å; M340-P597 VanDerWaalsContact SD-CG 3.56Å
341	P	95.9	Very high	92.2	Very high	6 Å²	6	48.7 Å²	48.7	4%	0.039	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-55.4	-32.8	-178	-29.3	36.8	0	0	0	115.2	Y254 D343 H344 Y594 L596 P597	Y254-P341 HydrophobicContact CE2-CB 4.01Å; P341-D343 PolarHBondContact O-N 3.05Å; P341-H344 PolarHBondContact O-N 3.3Å; P341-Y594 HydrophobicContact CB-CE1 4.34Å; P341-L596 HydrophobicContact CG-CB 4.18Å; P341-P597 WeakPolarHBondContact CG-O 3.49Å
342	W	95.9	Very high	92	Very high	10 Å²	10	45.1 Å²	45.1	4%	0.038	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-74.1	-10.7	177.3	59.6	78.4	0	0	0	114.1	R250 E251 Y254 M340 T599	R250-W342 HydrophobicContact CB-CB 4.29Å; R250-W342 HydrophobicContact CB-CG 4.41Å; R250-W342 WeakPolarHBondContact CD-O 3.24Å; R250-W342 PolarHBondContact NE-O 3.16Å; E251-W342 HydrophobicContact CB-CD2 4.21Å; E251-W342 HydrophobicContact CB-CZ2 3.92Å; E251-W342 VanDerWaalsContact CD-CZ2 3.44Å; E251-W342 HydrophobicContact CG-CD2 4.37Å; E251-W342 HydrophobicContact CG-CH2 3.85Å; E251-W342 HydrophobicContact CG-CZ2 3.56Å; E251-W342 HydrophobicContact CG-CZ3 4.37Å; Y254-W342 AromaticContact CD1-CE3 3.7Å; Y254-W342 HydrophobicContact CD1-CE3 3.7Å; Y254-W342 HydrophobicContact CD1-CZ3 4.29Å; Y254-W342 HydrophobicContact CD2-CB 3.72Å; Y254-W342 HydrophobicContact CE1-CE3 4.18Å; Y254-W342 HydrophobicContact CG-CB 3.85Å; Y254-W342 AromaticContact CG-CE3 3.92Å; Y254-W342 HydrophobicContact CG-CE3 3.92Å; M340-W342 HydrophobicContact CB-CD2 3.69Å; M340-W342 VanDerWaalsContact CB-CE2 3.41Å; M340-W342 HydrophobicContact CB-CE3 3.9Å; M340-W342 HydrophobicContact CB-CG 4.42Å; M340-W342 HydrophobicContact CB-CH2 3.68Å; M340-W342 HydrophobicContact CB-CZ2 3.43Å; M340-W342 VanDerWaalsContact CB-CZ2 3.43Å; M340-W342 HydrophobicContact CB-CZ3 3.89Å; M340-W342 HydrophobicContact CE-CH2 3.51Å; M340-W342 HydrophobicContact CE-CZ2 4.34Å; M340-W342 HydrophobicContact CE-CZ3 3.71Å; M340-W342 HydrophobicContact CG-CH2 3.64Å; M340-W342 HydrophobicContact CG-CZ2 3.46Å; M340-W342 VanDerWaalsContact CG-CZ2 3.46Å; M340-W342 HydrophobicContact CG-CZ3 4.29Å; M340-W342 PolarHBondContact O-N 2.83Å; M340-W342 VanDerWaalsContact O-N 3.15Å; M340-W342 HydrophobicContact SD-CH2 4.39Å; W342-T599 HydrophobicContact CZ3-CG2 3.79Å; W342-T599 WeakPolarHBondContact CZ3-OG1 3.41Å
343	D	97.1	Very high	91.7	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-89.2	-23.5	175.8	-58.9	-51.5	0	0	0	112.5	R250 K329 L339 M340 P341 F346 L347	R250-D343 IonicContact CZ-OD1 3.51Å; R250-D343 IonicContact NE-OD1 2.64Å; R250-D343 IonicContact NH2-OD1 3.27Å; R250-D343 PolarHBondContact NH2-OD1 3.11Å; K329-D343 IonicContact NZ-OD1 2.9Å; K329-D343 IonicContact NZ-OD2 3.66Å; K329-D343 PolarHBondContact NZ-OD2 2.87Å; L339-D343 HydrophobicContact CD1-CB 3.78Å; M340-D343 PolarHBondContact N-OD2 3.39Å; M340-D343 WeakPolarHBondContact O-CB 3.42Å; M340-D343 PolarHBondContact O-N 3.23Å; P341-D343 PolarHBondContact O-N 3.05Å; D343-F346 PolarHBondContact O-N 3.29Å; D343-L347 HydrophobicContact CB-CD1 3.64Å; D343-L347 HydrophobicContact CB-CG 4.19Å; D343-L347 WeakPolarHBondContact O-CB 3.46Å; D343-L347 WeakPolarHBondContact O-CG 3.49Å; D343-L347 PolarHBondContact O-N 2.99Å
344	H	95.7	Very high	91.4	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-57.5	-53.1	-171.6	-179.7	-167.2	0	0	0	112.4	M325 P341 F346 L347 S348 D559 Y594 L596	M325-H344 WeakPolarHBondContact CE-CD2 3.48Å; M325-H344 VanDerWaalsContact CE-NE2 3.32Å; M325-H344 WeakPolarHBondContact CE-NE2 3.35Å; M325-H344 PolarHBondContact SD-CD2 3Å; P341-H344 PolarHBondContact O-N 3.3Å; H344-F346 PolarHBondContact O-N 3.12Å; H344-L347 PolarHBondContact O-N 3.41Å; H344-S348 WeakPolarHBondContact O-CB 3.42Å; H344-S348 PolarHBondContact O-N 3.4Å; H344-S348 PolarHBondContact O-OG 3.2Å; H344-S348 VanDerWaalsContact O-OG 3.13Å; H344-D559 IonicContact CE1-OD1 2.67Å; H344-D559 IonicContact NE2-OD1 2.79Å; H344-D559 PolarHBondContact NE2-OD1 3.48Å; H344-Y594 AromaticContact CE1-CE2 4Å; H344-Y594 AromaticContact ND1-CE2 3.56Å; H344-Y594 AromaticContact ND1-CZ 3.61Å; H344-Y594 PolarHBondContact ND1-OH 2.84Å; H344-L596 HydrophobicContact CB-CD1 3.96Å
345	P	94.3	Very high	91.2	Very high	53 Å²	53	47.2 Å²	47.2	34%	0.344	24%	0.235	S	C	.	.	H	α-helix	trans	-62.1	-41.6	-179.5	-22.7	35.5	0	0	0	112.8	A242 S348 G349	A242-P345 HydrophobicContact CB-CB 3.91Å; A242-P345 HydrophobicContact CB-CG 4.01Å; P345-S348 PolarHBondContact O-OG 2.97Å; P345-S348 VanDerWaalsContact O-OG 3.07Å; P345-G349 PolarHBondContact O-N 2.95Å
346	F	95.1	Very high	91	Very high	26 Å²	26	37.3 Å²	37.3	11%	0.114	20%	0.198	C	C	.	.	H	α-helix	trans	-64.3	-51.8	178.6	177.1	-111.8	0	0	0	112	A242 S244 P245 R250 L332 D343 H344 G349 V350	A242-F346 WeakPolarHBondContact O-CB 3.36Å; A242-F346 PolarHBondContact O-N 3.23Å; S244-F346 VanDerWaalsContact O-CD2 3.32Å; S244-F346 WeakPolarHBondContact O-CD2 3.41Å; P245-F346 HydrophobicContact CB-CE2 4.13Å; P245-F346 HydrophobicContact CB-CZ 4.1Å; R250-F346 VanDerWaalsContact CZ-CD1 3.49Å; L332-F346 HydrophobicContact CD1-CE1 3.96Å; D343-F346 PolarHBondContact O-N 3.29Å; H344-F346 PolarHBondContact O-N 3.12Å; F346-G349 WeakPolarHBondContact O-CA 3.45Å; F346-G349 PolarHBondContact O-N 3.4Å; F346-V350 HydrophobicContact CD1-CG2 4.23Å; F346-V350 HydrophobicContact CD2-CG2 4.2Å; F346-V350 HydrophobicContact CE1-CG2 3.75Å; F346-V350 HydrophobicContact CE2-CG2 3.69Å; F346-V350 HydrophobicContact CG-CG2 4.43Å; F346-V350 HydrophobicContact CZ-CG2 3.44Å; F346-V350 VanDerWaalsContact CZ-CG2 3.44Å; F346-V350 WeakPolarHBondContact O-CG2 3.33Å; F346-V350 PolarHBondContact O-N 3.35Å
347	L	95.6	Very high	90.7	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-70.8	-33.9	-174	-68.6	173.4	0	0	0	112.3	M325 M328 K329 L332 L339 D343 H344 G349 V350 L351	M325-L347 HydrophobicContact CB-CB 4.26Å; M325-L347 HydrophobicContact CB-CD1 4.13Å; M325-L347 HydrophobicContact CG-CB 4.12Å; M328-L347 HydrophobicContact CB-CD2 4.31Å; M328-L347 HydrophobicContact CG-CD2 3.93Å; K329-L347 HydrophobicContact CB-CD1 3.84Å; K329-L347 HydrophobicContact CB-CD2 4.39Å; K329-L347 HydrophobicContact CD-CD1 4.44Å; K329-L347 HydrophobicContact CG-CD1 4.4Å; L332-L347 HydrophobicContact CD1-CD2 3.96Å; L339-L347 HydrophobicContact CD1-CD1 3.39Å; D343-L347 HydrophobicContact CB-CD1 3.64Å; D343-L347 HydrophobicContact CB-CG 4.19Å; D343-L347 WeakPolarHBondContact O-CB 3.46Å; D343-L347 WeakPolarHBondContact O-CG 3.49Å; D343-L347 PolarHBondContact O-N 2.99Å; H344-L347 PolarHBondContact O-N 3.41Å; L347-G349 VanDerWaalsContact C-N 3.32Å; L347-V350 PolarHBondContact O-N 3.38Å; L347-L351 WeakPolarHBondContact O-CB 3.31Å; L347-L351 WeakPolarHBondContact O-CD1 3.47Å; L347-L351 VanDerWaalsContact O-CG 3.28Å; L347-L351 WeakPolarHBondContact O-CG 3.45Å; L347-L351 PolarHBondContact O-N 3.06Å
348	S	93	Very high	90.5	Very high	6 Å²	6	38.3 Å²	38.3	4%	0.042	20%	0.198	C	C	.	.	H	α-helix	trans	-63.1	-42.8	171.2	67.6	0	0	0	0	110.3	H344 P345 L351 R352	H344-S348 WeakPolarHBondContact O-CB 3.42Å; H344-S348 PolarHBondContact O-N 3.4Å; H344-S348 PolarHBondContact O-OG 3.2Å; H344-S348 VanDerWaalsContact O-OG 3.13Å; P345-S348 PolarHBondContact O-OG 2.97Å; P345-S348 VanDerWaalsContact O-OG 3.07Å; S348-L351 PolarHBondContact O-N 2.94Å; S348-R352 WeakPolarHBondContact O-CG 3.29Å; S348-R352 PolarHBondContact O-N 2.96Å
349	G	90.5	Very high	90	Very high	33 Å²	33	37.5 Å²	37.5	34%	0.34	19%	0.194	S	C	.	.	H	α-helix	trans	-58.5	-47.2	172.4	0	0	0	0	0	113.6	P345 F346 L347 R352 A353	P345-G349 PolarHBondContact O-N 2.95Å; F346-G349 WeakPolarHBondContact O-CA 3.45Å; F346-G349 PolarHBondContact O-N 3.4Å; L347-G349 VanDerWaalsContact C-N 3.32Å; G349-R352 WeakPolarHBondContact O-CB 3.49Å; G349-R352 PolarHBondContact O-N 3.41Å; G349-A353 WeakPolarHBondContact O-CB 3.32Å; G349-A353 PolarHBondContact O-N 3.29Å
350	V	91.2	Very high	89.3	Confident	30 Å²	30	40.4 Å²	40.4	18%	0.182	21%	0.213	C	C	.	.	H	α-helix	trans	-62.8	-44.8	177.2	173.3	0	0	0	0	111.5	M328 L332 F346 L347 R352 A353 E354	M328-V350 HydrophobicContact CE-CG1 4.42Å; M328-V350 HydrophobicContact CG-CG1 4.07Å; M328-V350 HydrophobicContact SD-CG1 3.97Å; L332-V350 HydrophobicContact CD1-CG1 4.29Å; F346-V350 HydrophobicContact CD1-CG2 4.23Å; F346-V350 HydrophobicContact CD2-CG2 4.2Å; F346-V350 HydrophobicContact CE1-CG2 3.75Å; F346-V350 HydrophobicContact CE2-CG2 3.69Å; F346-V350 HydrophobicContact CG-CG2 4.43Å; F346-V350 HydrophobicContact CZ-CG2 3.44Å; F346-V350 VanDerWaalsContact CZ-CG2 3.44Å; F346-V350 WeakPolarHBondContact O-CG2 3.33Å; F346-V350 PolarHBondContact O-N 3.35Å; L347-V350 PolarHBondContact O-N 3.38Å; V350-R352 VanDerWaalsContact C-N 3.29Å; V350-R352 PolarHBondContact O-N 3.48Å; V350-A353 PolarHBondContact O-N 3.13Å; V350-E354 WeakPolarHBondContact O-CB 3.34Å; V350-E354 PolarHBondContact O-N 2.92Å
351	L	92.5	Very high	88.8	Confident	8 Å²	8	43.1 Å²	43.1	4%	0.042	23%	0.234	C	C	.	.	H	α-helix	trans	-61.8	-38	178.2	-79.1	165.3	0	0	0	112.1	M324 M325 M328 L347 S348 R355 V554 C555	M324-L351 HydrophobicContact CB-CD1 4.1Å; M324-L351 HydrophobicContact CB-CD2 4.48Å; M325-L351 HydrophobicContact CB-CD1 4.5Å; M325-L351 HydrophobicContact CG-CD1 3.81Å; M328-L351 HydrophobicContact CB-CD2 4.14Å; M328-L351 HydrophobicContact CB-CG 4.26Å; M328-L351 HydrophobicContact CE-CD2 3.56Å; M328-L351 HydrophobicContact CE-CG 4.23Å; M328-L351 HydrophobicContact CG-CD2 4.42Å; M328-L351 HydrophobicContact CG-CG 4.34Å; L347-L351 WeakPolarHBondContact O-CB 3.31Å; L347-L351 WeakPolarHBondContact O-CD1 3.47Å; L347-L351 VanDerWaalsContact O-CG 3.28Å; L347-L351 WeakPolarHBondContact O-CG 3.45Å; L347-L351 PolarHBondContact O-N 3.06Å; S348-L351 PolarHBondContact O-N 2.94Å; L351-R355 WeakPolarHBondContact O-CB 3.29Å; L351-R355 WeakPolarHBondContact O-CG 3.45Å; L351-R355 PolarHBondContact O-N 3.42Å; L351-V554 HydrophobicContact CB-CG1 3.88Å; L351-C555 VanDerWaalsContact CD1-SG 3.54Å
352	R	89.8	Confident	88.5	Confident	52 Å²	52	46 Å²	46	20%	0.196	25%	0.248	C	C	.	.	H	α-helix	trans	-64.9	-47.4	173.8	-71.8	172	179.9	158.8	6	111.7	S348 G349 V350 R355 Y356 I358 S551 V554 D559	S348-R352 WeakPolarHBondContact O-CG 3.29Å; S348-R352 PolarHBondContact O-N 2.96Å; G349-R352 WeakPolarHBondContact O-CB 3.49Å; G349-R352 PolarHBondContact O-N 3.41Å; V350-R352 VanDerWaalsContact C-N 3.29Å; V350-R352 PolarHBondContact O-N 3.48Å; R352-R355 PolarHBondContact O-N 3.22Å; R352-Y356 PolarHBondContact O-N 3.08Å; R352-I358 HydrophobicContact CB-CD1 3.71Å; R352-I358 HydrophobicContact CB-CG1 4.42Å; R352-S551 VanDerWaalsContact CG-O 3.31Å; R352-S551 WeakPolarHBondContact CG-O 3.38Å; R352-S551 PolarHBondContact NE-O 2.77Å; R352-V554 HydrophobicContact CG-CB 3.87Å; R352-V554 HydrophobicContact CG-CG1 4.26Å; R352-V554 PolarHBondContact NE-O 3.21Å; R352-V554 PolarHBondContact NH2-O 3.48Å; R352-D559 IonicContact CZ-OD2 3.26Å; R352-D559 IonicContact NH1-OD2 3.3Å; R352-D559 IonicContact NH2-OD2 3.78Å; R352-D559 PolarHBondContact NH2-OD2 2.93Å
353	A	85.2	Confident	88.4	Confident	44 Å²	44	45.6 Å²	45.6	36%	0.364	25%	0.247	S	C	.	.	H	α-helix	trans	-64.2	-45.3	-179.9	0	0	0	0	0	112.1	G349 V350 R355 N357	G349-A353 WeakPolarHBondContact O-CB 3.32Å; G349-A353 PolarHBondContact O-N 3.29Å; V350-A353 PolarHBondContact O-N 3.13Å; A353-R355 VanDerWaalsContact C-N 3.32Å; A353-R355 PolarHBondContact O-N 3.33Å; A353-N357 WeakPolarHBondContact O-CA 3.32Å; A353-N357 PolarHBondContact O-N 2.93Å
354	E	84.7	Confident	88.3	Confident	111 Å²	111	46.4 Å²	46.4	52%	0.519	25%	0.253	S	S	.	.	H	α-helix	trans	-64.3	-35.1	179.8	-175	170.3	148.7	0	0	112.2	M328 K331 V350	M328-E354 WeakPolarHBondContact CE-OE2 3.48Å; K331-E354 IonicContact NZ-OE1 3.44Å; K331-E354 PolarHBondContact NZ-OE1 3.43Å; K331-E354 IonicContact NZ-OE2 2.71Å; K331-E354 PolarHBondContact NZ-OE2 3.13Å; V350-E354 WeakPolarHBondContact O-CB 3.34Å; V350-E354 PolarHBondContact O-N 2.92Å
355	R	82.8	Confident	88.2	Confident	123 Å²	123	47.5 Å²	47.5	46%	0.464	26%	0.26	S	S	.	.	H	α-helix	trans	-81.9	-38.1	-178.8	-72.6	-179.1	179.7	-178.3	1.4	114.2	M324 L351 R352 A353	M324-R355 PolarHBondContact SD-NH2 2.87Å; L351-R355 WeakPolarHBondContact O-CB 3.29Å; L351-R355 WeakPolarHBondContact O-CG 3.45Å; L351-R355 PolarHBondContact O-N 3.42Å; R352-R355 PolarHBondContact O-N 3.22Å; A353-R355 VanDerWaalsContact C-N 3.32Å; A353-R355 PolarHBondContact O-N 3.33Å
356	Y	81.6	Confident	88.3	Confident	36 Å²	36	46.8 Å²	46.8	14%	0.141	25%	0.251	C	S	.	.	H	α-helix	trans	-126.2	-0.5	-165.8	-66.7	-66	0	0	0	114.9	R352 I358 R547 E550 V554	R352-Y356 PolarHBondContact O-N 3.08Å; Y356-I358 PolarHBondContact O-N 3.11Å; Y356-R547 HydrophobicContact CD1-CB 4.33Å; Y356-R547 HydrophobicContact CD1-CG 4.16Å; Y356-R547 WeakPolarHBondContact O-CD 3.2Å; Y356-R547 PolarHBondContact O-NH1 3.19Å; Y356-E550 HydrophobicContact CD1-CB 4.48Å; Y356-E550 HydrophobicContact CE1-CB 3.8Å; Y356-E550 HydrophobicContact CE2-CB 4.11Å; Y356-V554 HydrophobicContact CD2-CG2 4.02Å; Y356-V554 HydrophobicContact CE2-CG2 3.49Å; Y356-V554 VanDerWaalsContact CE2-CG2 3.49Å
357	N	78.2	Confident	88.3	Confident	77 Å²	77	45.7 Å²	45.7	41%	0.412	25%	0.246	S	C	.	.			trans	50	53.7	178.9	-168.6	21.2	0	0	0	113.3	A353 E359	A353-N357 WeakPolarHBondContact O-CA 3.32Å; A353-N357 PolarHBondContact O-N 2.93Å; N357-E359 VanDerWaalsContact C-N 3.31Å; N357-E359 PolarHBondContact O-N 2.94Å
358	I	77.6	Confident	88.3	Confident	36 Å²	36	45.8 Å²	45.8	19%	0.185	25%	0.246	C	C	.	.			trans	-90.4	38.5	-174.1	57.1	158.9	0	0	0	113.8	R352 Y356 P360	R352-I358 HydrophobicContact CB-CD1 3.71Å; R352-I358 HydrophobicContact CB-CG1 4.42Å; Y356-I358 PolarHBondContact O-N 3.11Å; I358-P360 WeakPolarHBondContact O-CD 3.44Å
359	E	81.5	Confident	88.5	Confident	107 Å²	107	45.5 Å²	45.5	50%	0.5	24%	0.244	S	C	.	.			trans	-62	125.4	-179.3	-67.7	-169.2	171.7	0	0	111.4	N357 S361 L362 Y363	N357-E359 VanDerWaalsContact C-N 3.31Å; N357-E359 PolarHBondContact O-N 2.94Å; E359-S361 PolarHBondContact O-N 2.93Å; E359-L362 HydrophobicContact CB-CD1 4.09Å; E359-L362 HydrophobicContact CB-CG 4.12Å; E359-L362 WeakPolarHBondContact O-CB 3.44Å; E359-L362 PolarHBondContact O-N 3.24Å; E359-Y363 WeakPolarHBondContact O-CD2 3.48Å
360	P	81.3	Confident	88.7	Confident	70 Å²	70	43.9 Å²	43.9	46%	0.455	23%	0.228	S	C	.	.	H	α-helix	trans	-55.9	-30	-177.2	-28.5	35	0	0	0	114.1	I358 L362 Y363 S364 T473	I358-P360 WeakPolarHBondContact O-CD 3.44Å; P360-L362 PolarHBondContact O-N 3.45Å; P360-Y363 PolarHBondContact O-N 3.46Å; P360-S364 WeakPolarHBondContact O-CB 3.15Å; P360-S364 PolarHBondContact O-N 3.48Å; P360-S364 PolarHBondContact O-OG 3.32Å; P360-T473 HydrophobicContact CB-CG2 3.99Å
361	S	86.3	Confident	88.9	Confident	75 Å²	75	42.9 Å²	42.9	52%	0.524	22%	0.223	S	C	.	.	H	α-helix	trans	-58.3	-29.5	175.6	51.9	0	0	0	0	113.3	E359 P365	E359-S361 PolarHBondContact O-N 2.93Å; S361-P365 WeakPolarHBondContact O-CD 3.42Å
362	L	89.3	Confident	89.1	Confident	66 Å²	66	42.5 Å²	42.5	35%	0.346	22%	0.221	S	C	.	.	H	α-helix	trans	-77.1	-33.6	179.3	-60.8	175.1	0	0	0	112.1	E359 P360 Y366 M544	E359-L362 HydrophobicContact CB-CD1 4.09Å; E359-L362 HydrophobicContact CB-CG 4.12Å; E359-L362 WeakPolarHBondContact O-CB 3.44Å; E359-L362 PolarHBondContact O-N 3.24Å; P360-L362 PolarHBondContact O-N 3.45Å; L362-Y366 WeakPolarHBondContact O-CE2 3.28Å; L362-M544 HydrophobicContact CB-CE 3.93Å
363	Y	92.8	Very high	89.5	Confident	2 Å²	2	40 Å²	40	1%	0.008	21%	0.211	C	C	.	.	H	α-helix	trans	-94.1	-40	-173.4	-68.2	-100.1	0	0	0	112.7	E359 P360 P365 Y366 P474 L540 M544 L548	E359-Y363 WeakPolarHBondContact O-CD2 3.48Å; P360-Y363 PolarHBondContact O-N 3.46Å; Y363-P365 VanDerWaalsContact C-N 3.3Å; Y363-P365 VanDerWaalsContact O-N 3.15Å; Y363-Y366 WeakPolarHBondContact O-CB 3.41Å; Y363-Y366 PolarHBondContact O-N 2.91Å; Y363-P474 HydrophobicContact CD1-CG 4.21Å; Y363-P474 HydrophobicContact CG-CG 3.91Å; Y363-L540 HydrophobicContact CD1-CD1 4.32Å; Y363-M544 HydrophobicContact CD1-CE 3.93Å; Y363-M544 HydrophobicContact CD2-CE 3.98Å; Y363-M544 HydrophobicContact CE1-CB 3.78Å; Y363-M544 HydrophobicContact CE1-CE 3.87Å; Y363-M544 VanDerWaalsContact CE1-O 3.24Å; Y363-M544 WeakPolarHBondContact CE1-O 3.45Å; Y363-M544 HydrophobicContact CE2-CE 3.86Å; Y363-M544 HydrophobicContact CG-CE 4Å; Y363-M544 PolarHBondContact OH-O 3.38Å; Y363-L548 HydrophobicContact CE1-CB 4.29Å
364	S	95	Very high	90	Very high	17 Å²	17	39 Å²	39	12%	0.119	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-54.6	-36.4	-172.4	-54	0	0	0	0	114.4	P360 Y366 L367 L472	P360-S364 WeakPolarHBondContact O-CB 3.15Å; P360-S364 PolarHBondContact O-N 3.48Å; P360-S364 PolarHBondContact O-OG 3.32Å; S364-Y366 PolarHBondContact O-N 3.09Å; S364-Y366 VanDerWaalsContact O-N 3.12Å; S364-L367 PolarHBondContact O-N 3.05Å; S364-L472 VanDerWaalsContact CA-O 3.29Å; S364-L472 WeakPolarHBondContact CA-O 3.39Å; S364-L472 WeakPolarHBondContact CB-O 3.38Å; S364-L472 PolarHBondContact OG-O 3.02Å
365	P	94.9	Very high	90.5	Very high	24 Å²	24	33.8 Å²	33.8	16%	0.156	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-58	-24.1	175.3	-27.5	37.1	0	0	0	114.9	S361 Y363 H533 F534	S361-P365 WeakPolarHBondContact O-CD 3.42Å; Y363-P365 VanDerWaalsContact C-N 3.3Å; Y363-P365 VanDerWaalsContact O-N 3.15Å; P365-H533 CarbonylContact O-C 3.54Å; P365-H533 WeakPolarHBondContact O-CA 3.32Å; P365-F534 HydrophobicContact CB-CD1 4.06Å; P365-F534 HydrophobicContact CB-CE1 4.18Å; P365-F534 WeakPolarHBondContact O-CD1 3.45Å; P365-F534 PolarHBondContact O-N 2.87Å
366	Y	95	Very high	91.3	Very high	39 Å²	39	28 Å²	28	15%	0.153	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-87.4	-14.2	178.4	-61.7	-94.1	0	0	0	113.5	L362 Y363 S364 A531 R532 H533 Q538 P539 L540	L362-Y366 WeakPolarHBondContact O-CE2 3.28Å; Y363-Y366 WeakPolarHBondContact O-CB 3.41Å; Y363-Y366 PolarHBondContact O-N 2.91Å; S364-Y366 PolarHBondContact O-N 3.09Å; S364-Y366 VanDerWaalsContact O-N 3.12Å; Y366-A531 CarbonylContact O-C 3.59Å; Y366-A531 WeakPolarHBondContact O-CA 3.45Å; Y366-R532 CarbonylContact C-O 3.3Å; Y366-R532 WeakPolarHBondContact CA-O 3.26Å; Y366-R532 PolarHBondContact O-N 3.38Å; Y366-R532 VanDerWaalsContact O-N 3.11Å; Y366-H533 HydrophobicContact CD1-CB 3.89Å; Y366-H533 VanDerWaalsContact CD1-N 3.33Å; Y366-H533 HydrophobicContact CE1-CB 3.73Å; Y366-Q538 WeakPolarHBondContact CE1-O 3.25Å; Y366-P539 WeakPolarHBondContact CE1-O 3.34Å; Y366-L540 HydrophobicContact CD1-CB 3.88Å; Y366-L540 HydrophobicContact CD1-CD1 4.15Å; Y366-L540 HydrophobicContact CD2-CD1 3.67Å; Y366-L540 HydrophobicContact CE2-CD1 4.09Å; Y366-L540 HydrophobicContact CG-CB 4.06Å; Y366-L540 HydrophobicContact CG-CD1 3.71Å; Y366-L540 HydrophobicContact CG-CG 4.46Å
367	L	95.6	Very high	92	Very high	3 Å²	3	27.2 Å²	27.2	2%	0.016	15%	0.152	C	C	.	.			trans	-115.8	55.1	-168.2	-57.3	-178.8	0	0	0	110.7	S364 L472 P474 M477 F530 A531	S364-L367 PolarHBondContact O-N 3.05Å; L367-L472 HydrophobicContact CB-CB 4.26Å; L367-L472 WeakPolarHBondContact CB-O 3.1Å; L367-L472 WeakPolarHBondContact O-CB 3.42Å; L367-L472 PolarHBondContact O-N 3.39Å; L367-P474 HydrophobicContact CD1-CG 4.37Å; L367-M477 HydrophobicContact CD1-CB 4.33Å; L367-M477 HydrophobicContact CD1-CE 4.46Å; L367-M477 HydrophobicContact CD1-SD 4.03Å; L367-M477 HydrophobicContact CD2-SD 3.56Å; L367-M477 VanDerWaalsContact CD2-SD 3.56Å; L367-M477 HydrophobicContact CG-SD 4.34Å; L367-F530 HydrophobicContact CD2-CE2 4.43Å; L367-A531 HydrophobicContact CD2-CB 3.9Å
368	S	95.9	Very high	92.9	Very high	2 Å²	2	25.7 Å²	25.7	1%	0.014	14%	0.143	C	C	.	.	B	Isolated β-bridge	trans	-63.9	143	170.3	76	0	0	0	0	110.4	N35 G370 A371 C372 T470	N35-S368 PolarHBondContact ND2-OG 3.18Å; N35-S368 VanDerWaalsContact ND2-OG 3.13Å; S368-G370 PolarHBondContact O-N 3.15Å; S368-A371 WeakPolarHBondContact O-CA 3.43Å; S368-A371 WeakPolarHBondContact O-CB 3.4Å; S368-A371 PolarHBondContact O-N 3.42Å; S368-A371 VanDerWaalsContact OG-CB 3.31Å; S368-A371 WeakPolarHBondContact OG-CB 3.43Å; S368-A371 PolarHBondContact OG-N 3.41Å; S368-C372 PolarHBondContact O-N 3.02Å; S368-T470 CarbonylContact C-O 3.52Å; S368-T470 WeakPolarHBondContact CA-O 3.39Å
369	L	96.1	Very high	93.9	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-51.8	-43.1	179.9	177.1	60.4	0	0	0	112.1	F34 A371 C372 M373 F423 F424 L461 T470 L472 L480	F34-L369 HydrophobicContact CB-CG 4.25Å; F34-L369 HydrophobicContact CD1-CD2 4.13Å; F34-L369 HydrophobicContact CD1-CG 4.18Å; L369-A371 PolarHBondContact O-N 2.87Å; L369-C372 PolarHBondContact O-N 3.18Å; L369-M373 HydrophobicContact CD1-CG 4.33Å; L369-M373 VanDerWaalsContact O-CG 3.31Å; L369-M373 WeakPolarHBondContact O-CG 3.09Å; L369-M373 PolarHBondContact O-N 2.96Å; L369-F423 HydrophobicContact CD1-CD2 4Å; L369-F423 HydrophobicContact CD1-CE2 4.16Å; L369-F423 HydrophobicContact CD2-CD2 4.15Å; L369-F424 HydrophobicContact CD2-CE1 4.22Å; L369-F424 HydrophobicContact CD2-CZ 3.95Å; L369-L461 HydrophobicContact CD1-CD1 3.88Å; L369-L461 HydrophobicContact CD2-CD1 4.41Å; L369-T470 HydrophobicContact CB-CG2 4.16Å; L369-T470 HydrophobicContact CD2-CG2 4.38Å; L369-T470 PolarHBondContact N-O 3.5Å; L369-L472 HydrophobicContact CD1-CD1 4.26Å; L369-L480 HydrophobicContact CD1-CD2 3.94Å
370	G	95.3	Very high	94.7	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-64.8	-35.6	175.7	0	0	0	0	0	114.1	G31 N35 S368 M373 E374	G31-G370 WeakPolarHBondContact CA-O 3.29Å; G31-G370 VanDerWaalsContact O-CA 3.3Å; G31-G370 WeakPolarHBondContact O-CA 3.35Å; N35-G370 WeakPolarHBondContact OD1-CA 3.44Å; N35-G370 PolarHBondContact OD1-N 3.42Å; S368-G370 PolarHBondContact O-N 3.15Å; G370-M373 PolarHBondContact O-N 3.31Å; G370-E374 WeakPolarHBondContact O-CB 3.4Å; G370-E374 PolarHBondContact O-N 2.89Å
371	A	95.2	Very high	95.5	Very high	8 Å²	8	17.2 Å²	17.2	7%	0.066	10%	0.101	C	C	.	.	H	α-helix	trans	-66.5	-43.3	174.1	0	0	0	0	0	111.1	S368 L369 M373 E374 G375 F530	S368-A371 WeakPolarHBondContact O-CA 3.43Å; S368-A371 WeakPolarHBondContact O-CB 3.4Å; S368-A371 PolarHBondContact O-N 3.42Å; S368-A371 VanDerWaalsContact OG-CB 3.31Å; S368-A371 WeakPolarHBondContact OG-CB 3.43Å; S368-A371 PolarHBondContact OG-N 3.41Å; L369-A371 PolarHBondContact O-N 2.87Å; A371-M373 VanDerWaalsContact C-N 3.35Å; A371-M373 PolarHBondContact O-N 3.29Å; A371-E374 WeakPolarHBondContact O-CB 3.39Å; A371-E374 PolarHBondContact O-N 2.69Å; A371-G375 PolarHBondContact O-N 3.46Å; A371-F530 HydrophobicContact CB-CD2 4.45Å; A371-F530 WeakPolarHBondContact O-CB 3.38Å; A371-F530 VanDerWaalsContact O-CD2 3.27Å; A371-F530 WeakPolarHBondContact O-CD2 3.39Å
372	C	97.1	Very high	96	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-62.5	-40.4	176.5	-61.7	0	0	0	0	112.2	S368 L369 E374 G375 L376 L472 L480 F530	S368-C372 PolarHBondContact O-N 3.02Å; L369-C372 PolarHBondContact O-N 3.18Å; C372-E374 VanDerWaalsContact C-N 3.35Å; C372-G375 PolarHBondContact O-N 3.37Å; C372-L376 PolarHBondContact O-N 2.85Å; C372-L472 HydrophobicContact CB-CD1 4.16Å; C372-L480 HydrophobicContact CB-CD2 3.85Å; C372-F530 HydrophobicContact CB-CE2 4.41Å
373	M	97.4	Very high	96.4	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-66.7	-34.6	175.1	-67.6	-58.5	-61.3	0	0	112.9	V30 F34 L369 G370 A371 L376 N377 L388 L406 F423 L480 M484	V30-M373 HydrophobicContact CG2-CB 4.48Å; F34-M373 HydrophobicContact CB-CB 4.45Å; F34-M373 HydrophobicContact CB-CG 4.07Å; F34-M373 HydrophobicContact CD1-CG 3.8Å; F34-M373 HydrophobicContact CD1-SD 4.49Å; F34-M373 HydrophobicContact CD2-CB 4.32Å; F34-M373 HydrophobicContact CD2-CE 4.49Å; F34-M373 HydrophobicContact CD2-CG 4.04Å; F34-M373 HydrophobicContact CE1-CE 4.2Å; F34-M373 HydrophobicContact CE1-CG 4.23Å; F34-M373 HydrophobicContact CE1-SD 4.39Å; F34-M373 HydrophobicContact CE2-CE 4.03Å; F34-M373 HydrophobicContact CE2-CG 4.47Å; F34-M373 HydrophobicContact CG-CB 4.3Å; F34-M373 HydrophobicContact CG-CG 3.69Å; F34-M373 HydrophobicContact CZ-CE 3.86Å; L369-M373 HydrophobicContact CD1-CG 4.33Å; L369-M373 VanDerWaalsContact O-CG 3.31Å; L369-M373 WeakPolarHBondContact O-CG 3.09Å; L369-M373 PolarHBondContact O-N 2.96Å; G370-M373 PolarHBondContact O-N 3.31Å; A371-M373 VanDerWaalsContact C-N 3.35Å; A371-M373 PolarHBondContact O-N 3.29Å; M373-L376 HydrophobicContact SD-CD1 3.95Å; M373-N377 WeakPolarHBondContact O-CB 3.31Å; M373-N377 PolarHBondContact O-N 2.96Å; M373-L388 HydrophobicContact CE-CD1 4.43Å; M373-L406 HydrophobicContact CE-CD1 3.68Å; M373-F423 HydrophobicContact SD-CE2 3.92Å; M373-F423 HydrophobicContact SD-CZ 4.3Å; M373-L480 HydrophobicContact SD-CD1 4.08Å; M373-L480 HydrophobicContact SD-CD2 4.11Å; M373-M484 HydrophobicContact CE-CE 4.02Å
374	E	95.6	Very high	96.7	Very high	24 Å²	24	15.1 Å²	15.1	11%	0.112	8%	0.081	C	C	.	.	H	α-helix	trans	-64.8	-41.8	170.4	-179.3	167.1	150.5	0	0	111.5	W27 S28 G370 A371 C372 N377 N378	W27-E374 PolarHBondContact N-OE2 2.84Å; S28-E374 WeakPolarHBondContact CB-OE2 3.46Å; S28-E374 PolarHBondContact N-OE2 3.43Å; S28-E374 WeakPolarHBondContact OG-CB 3.34Å; S28-E374 VanDerWaalsContact OG-CD 3.27Å; S28-E374 VanDerWaalsContact OG-CG 3.27Å; S28-E374 WeakPolarHBondContact OG-CG 3.47Å; S28-E374 PolarHBondContact OG-OE2 2.76Å; G370-E374 WeakPolarHBondContact O-CB 3.4Å; G370-E374 PolarHBondContact O-N 2.89Å; A371-E374 WeakPolarHBondContact O-CB 3.39Å; A371-E374 PolarHBondContact O-N 2.69Å; C372-E374 VanDerWaalsContact C-N 3.35Å; E374-N377 PolarHBondContact O-N 3Å; E374-N378 WeakPolarHBondContact O-CB 3.49Å; E374-N378 PolarHBondContact O-N 3.13Å; E374-N378 PolarHBondContact O-OD1 3.3Å
375	G	96.5	Very high	96.8	Very high	1 Å²	1	14.5 Å²	14.5	1%	0.01	8%	0.077	C	C	.	.	H	α-helix	trans	-56.2	-49.2	172.7	0	0	0	0	0	112.9	A371 C372 N377 N378 L379 F530	A371-G375 PolarHBondContact O-N 3.46Å; C372-G375 PolarHBondContact O-N 3.37Å; G375-N377 PolarHBondContact O-N 2.85Å; G375-N378 PolarHBondContact O-N 3.3Å; G375-L379 WeakPolarHBondContact O-CB 3.44Å; G375-L379 PolarHBondContact O-N 2.83Å; G375-F530 VanDerWaalsContact CA-CG 3.48Å
376	L	98.1	Very high	97	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-59.6	-45.4	175.2	-73.1	169.3	0	0	0	112	C372 M373 N378 L379 F380 L388 L480 F481 M484	C372-L376 PolarHBondContact O-N 2.85Å; M373-L376 HydrophobicContact SD-CD1 3.95Å; L376-N378 PolarHBondContact O-N 2.74Å; L376-L379 PolarHBondContact O-N 2.84Å; L376-F380 HydrophobicContact CB-CE2 4.03Å; L376-F380 HydrophobicContact CB-CZ 4.37Å; L376-F380 HydrophobicContact CD2-CE1 4.43Å; L376-F380 HydrophobicContact CD2-CE2 4.2Å; L376-F380 HydrophobicContact CD2-CZ 3.72Å; L376-F380 WeakPolarHBondContact O-CD2 3.42Å; L376-F380 WeakPolarHBondContact O-CG 3.44Å; L376-F380 PolarHBondContact O-N 2.81Å; L376-L388 HydrophobicContact CB-CD1 4.32Å; L376-L480 HydrophobicContact CD1-CD1 4.4Å; L376-L480 HydrophobicContact CD1-CD2 4.32Å; L376-L480 HydrophobicContact CD1-CG 4.03Å; L376-F481 HydrophobicContact CD1-CD2 4.4Å; L376-F481 HydrophobicContact CD1-CE2 4.39Å; L376-F481 HydrophobicContact CD2-CB 4.48Å; L376-F481 HydrophobicContact CD2-CD1 3.61Å; L376-F481 HydrophobicContact CD2-CD2 3.83Å; L376-F481 HydrophobicContact CD2-CE1 3.66Å; L376-F481 HydrophobicContact CD2-CE2 3.88Å; L376-F481 HydrophobicContact CD2-CG 3.7Å; L376-F481 HydrophobicContact CD2-CZ 3.8Å; L376-F481 HydrophobicContact CG-CD2 4.09Å; L376-F481 HydrophobicContact CG-CE1 4.28Å; L376-F481 HydrophobicContact CG-CE2 3.79Å; L376-F481 HydrophobicContact CG-CG 4.47Å; L376-F481 HydrophobicContact CG-CZ 3.89Å; L376-M484 HydrophobicContact CD1-CB 4.08Å; L376-M484 HydrophobicContact CD1-CE 4.09Å; L376-M484 HydrophobicContact CD1-CG 4.03Å; L376-M484 HydrophobicContact CD2-CB 4.06Å; L376-M484 HydrophobicContact CD2-CG 4.02Å
377	N	97.9	Very high	97.2	Very high	21 Å²	21	13.5 Å²	13.5	11%	0.112	8%	0.076	C	C	.	.	H	α-helix	trans	-59.8	-45.1	177	177.3	78.7	0	0	0	112.3	V30 M373 E374 G375 S381 L388	V30-N377 HydrophobicContact CG1-CB 3.87Å; M373-N377 WeakPolarHBondContact O-CB 3.31Å; M373-N377 PolarHBondContact O-N 2.96Å; E374-N377 PolarHBondContact O-N 3Å; G375-N377 PolarHBondContact O-N 2.85Å; N377-S381 WeakPolarHBondContact O-CB 3.39Å; N377-S381 PolarHBondContact O-N 3.38Å; N377-S381 PolarHBondContact O-OG 3.2Å; N377-L388 HydrophobicContact CB-CB 4.33Å; N377-L388 HydrophobicContact CB-CD1 4.31Å; N377-L388 HydrophobicContact CB-CG 4.39Å; N377-L388 PolarHBondContact OD1-N 3.31Å
378	N	96.8	Very high	97.3	Very high	44 Å²	44	13.6 Å²	13.6	24%	0.235	8%	0.077	C	C	.	.	H	α-helix	trans	-64.7	-45.7	178.7	-67.5	-11.3	0	0	0	110.9	E374 G375 L376 F380 S381 Q382	E374-N378 WeakPolarHBondContact O-CB 3.49Å; E374-N378 PolarHBondContact O-N 3.13Å; E374-N378 PolarHBondContact O-OD1 3.3Å; G375-N378 PolarHBondContact O-N 3.3Å; L376-N378 PolarHBondContact O-N 2.74Å; N378-F380 PolarHBondContact O-N 2.91Å; N378-S381 PolarHBondContact O-N 3.49Å; N378-Q382 VanDerWaalsContact O-CG 3.28Å; N378-Q382 WeakPolarHBondContact O-CG 3.06Å; N378-Q382 PolarHBondContact O-N 3.45Å
379	L	98.3	Very high	97.4	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-58.1	-48.4	177.5	-178.4	62.3	0	0	0	111.5	G375 L376 S381 Q382 L383 F481 M517 F520 V526 L641	G375-L379 WeakPolarHBondContact O-CB 3.44Å; G375-L379 PolarHBondContact O-N 2.83Å; L376-L379 PolarHBondContact O-N 2.84Å; L379-S381 VanDerWaalsContact C-N 3.34Å; L379-S381 PolarHBondContact O-N 3.28Å; L379-Q382 PolarHBondContact O-N 3.05Å; L379-L383 HydrophobicContact CD1-CD1 3.66Å; L379-L383 HydrophobicContact CD1-CG 3.97Å; L379-L383 HydrophobicContact CG-CD1 3.91Å; L379-L383 HydrophobicContact CG-CG 4.44Å; L379-L383 WeakPolarHBondContact O-CB 3.36Å; L379-L383 WeakPolarHBondContact O-CG 3.27Å; L379-L383 PolarHBondContact O-N 3.09Å; L379-F481 HydrophobicContact CD2-CE1 4.17Å; L379-M517 HydrophobicContact CD2-SD 4.12Å; L379-F520 HydrophobicContact CD1-CD1 3.89Å; L379-F520 HydrophobicContact CD1-CE1 4.37Å; L379-F520 HydrophobicContact CD1-CG 4.25Å; L379-F520 HydrophobicContact CD2-CB 3.76Å; L379-F520 HydrophobicContact CD2-CD1 4.43Å; L379-F520 HydrophobicContact CD2-CD2 4.41Å; L379-F520 HydrophobicContact CD2-CG 3.97Å; L379-V526 HydrophobicContact CD1-CG1 4.35Å; L379-L641 HydrophobicContact CD1-CD2 3.76Å
380	F	98.5	Very high	97.3	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-70.8	-29.6	-179.7	-57.7	-26.4	0	0	0	113.5	L376 N378 Q382 Y384 G385 V386 L388 M484 M488 M517	L376-F380 HydrophobicContact CB-CE2 4.03Å; L376-F380 HydrophobicContact CB-CZ 4.37Å; L376-F380 HydrophobicContact CD2-CE1 4.43Å; L376-F380 HydrophobicContact CD2-CE2 4.2Å; L376-F380 HydrophobicContact CD2-CZ 3.72Å; L376-F380 WeakPolarHBondContact O-CD2 3.42Å; L376-F380 WeakPolarHBondContact O-CG 3.44Å; L376-F380 PolarHBondContact O-N 2.81Å; N378-F380 PolarHBondContact O-N 2.91Å; F380-Q382 VanDerWaalsContact C-N 3.35Å; F380-Y384 HydrophobicContact CB-CD2 4.19Å; F380-Y384 HydrophobicContact CD1-CD2 4.03Å; F380-Y384 AromaticContact CD1-CE2 3.82Å; F380-Y384 HydrophobicContact CD1-CE2 3.82Å; F380-Y384 HydrophobicContact CE1-CE2 4.4Å; F380-Y384 HydrophobicContact CG-CD2 4.41Å; F380-Y384 CarbonylContact O-C 3.49Å; F380-Y384 WeakPolarHBondContact O-CA 3.29Å; F380-Y384 WeakPolarHBondContact O-CB 3.24Å; F380-Y384 PolarHBondContact O-N 3.46Å; F380-G385 PolarHBondContact O-N 3.48Å; F380-G385 VanDerWaalsContact O-N 3.15Å; F380-V386 CarbonylContact C-O 3.49Å; F380-V386 VanDerWaalsContact C-O 3.29Å; F380-V386 HydrophobicContact CB-CB 4.22Å; F380-V386 HydrophobicContact CB-CG1 4.48Å; F380-V386 PolarHBondContact O-N 2.94Å; F380-V386 VanDerWaalsContact O-N 3.15Å; F380-L388 HydrophobicContact CD2-CD1 4.11Å; F380-L388 HydrophobicContact CD2-CD2 4.36Å; F380-L388 HydrophobicContact CD2-CG 4.32Å; F380-L388 HydrophobicContact CE2-CD1 4.24Å; F380-M484 HydrophobicContact CE2-CG 3.31Å; F380-M484 HydrophobicContact CE2-SD 4.07Å; F380-M484 HydrophobicContact CZ-CB 4.24Å; F380-M484 HydrophobicContact CZ-CG 3.32Å; F380-M488 HydrophobicContact CD1-CG 4.3Å; F380-M488 HydrophobicContact CD2-CE 4.48Å; F380-M488 HydrophobicContact CD2-CG 3.97Å; F380-M488 HydrophobicContact CD2-SD 3.87Å; F380-M488 HydrophobicContact CE1-CG 3.92Å; F380-M488 HydrophobicContact CE2-CG 3.54Å; F380-M488 HydrophobicContact CE2-SD 3.89Å; F380-M488 HydrophobicContact CG-CG 4.34Å; F380-M488 HydrophobicContact CG-SD 4.43Å; F380-M488 HydrophobicContact CZ-CG 3.52Å; F380-M488 HydrophobicContact CZ-SD 4.46Å; F380-M517 HydrophobicContact CE1-SD 3.87Å
381	S	97.8	Very high	97.2	Very high	35 Å²	35	24 Å²	24	25%	0.245	13%	0.132	C	C	.	.	H	α-helix	trans	-64.8	-43.3	171.9	-64	0	0	0	0	110.5	N377 N378 L379 G385 V386	N377-S381 WeakPolarHBondContact O-CB 3.39Å; N377-S381 PolarHBondContact O-N 3.38Å; N377-S381 PolarHBondContact O-OG 3.2Å; N378-S381 PolarHBondContact O-N 3.49Å; L379-S381 VanDerWaalsContact C-N 3.34Å; L379-S381 PolarHBondContact O-N 3.28Å; S381-G385 WeakPolarHBondContact O-CA 3.46Å; S381-G385 PolarHBondContact O-N 3.01Å; S381-V386 VanDerWaalsContact CA-O 3.29Å; S381-V386 WeakPolarHBondContact CA-O 3.03Å; S381-V386 PolarHBondContact N-O 3.49Å; S381-V386 PolarHBondContact OG-O 3.49Å
382	Q	97.6	Very high	96.9	Very high	98 Å²	98	31.7 Å²	31.7	46%	0.458	17%	0.166	S	C	.	.	H	α-helix	trans	-72.4	-39.2	179.8	-66.8	-66.3	-16.3	0	0	113.2	N378 L379 F380 L641 R643	N378-Q382 VanDerWaalsContact O-CG 3.28Å; N378-Q382 WeakPolarHBondContact O-CG 3.06Å; N378-Q382 PolarHBondContact O-N 3.45Å; L379-Q382 PolarHBondContact O-N 3.05Å; F380-Q382 VanDerWaalsContact C-N 3.35Å; Q382-L641 HydrophobicContact CB-CB 4.49Å; Q382-L641 HydrophobicContact CB-CD2 4.41Å; Q382-R643 WeakPolarHBondContact O-CB 3.35Å; Q382-R643 WeakPolarHBondContact O-CD 3.36Å
383	L	98.1	Very high	96.7	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-83.8	-36.4	-177.3	-67.6	-178	0	0	0	113.1	L379 F520 F636 R643 G646	L379-L383 HydrophobicContact CD1-CD1 3.66Å; L379-L383 HydrophobicContact CD1-CG 3.97Å; L379-L383 HydrophobicContact CG-CD1 3.91Å; L379-L383 HydrophobicContact CG-CG 4.44Å; L379-L383 WeakPolarHBondContact O-CB 3.36Å; L379-L383 WeakPolarHBondContact O-CG 3.27Å; L379-L383 PolarHBondContact O-N 3.09Å; L383-F520 HydrophobicContact CD1-CE1 4.16Å; L383-F520 HydrophobicContact CD1-CE2 4.12Å; L383-F520 HydrophobicContact CD1-CZ 3.81Å; L383-F636 HydrophobicContact CD2-CE1 3.99Å; L383-R643 WeakPolarHBondContact O-CD 3.32Å; L383-R643 PolarHBondContact O-NE 3.38Å; L383-G646 CarbonylContact O-C 3.58Å; L383-G646 WeakPolarHBondContact O-CA 3.32Å
384	Y	97.9	Very high	96.5	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.008	18%	0.184	C	C	.	.	H	α-helix	trans	-132.8	-3.2	-165.6	-46.3	-51.9	0	0	0	114.3	F380 V386 H410 M488 L492 R643 G646 Y649 R650	F380-Y384 HydrophobicContact CB-CD2 4.19Å; F380-Y384 HydrophobicContact CD1-CD2 4.03Å; F380-Y384 AromaticContact CD1-CE2 3.82Å; F380-Y384 HydrophobicContact CD1-CE2 3.82Å; F380-Y384 HydrophobicContact CE1-CE2 4.4Å; F380-Y384 HydrophobicContact CG-CD2 4.41Å; F380-Y384 CarbonylContact O-C 3.49Å; F380-Y384 WeakPolarHBondContact O-CA 3.29Å; F380-Y384 WeakPolarHBondContact O-CB 3.24Å; F380-Y384 PolarHBondContact O-N 3.46Å; Y384-V386 PolarHBondContact O-N 2.87Å; Y384-H410 PolarHBondContact O-CD2 3.35Å; Y384-H410 PolarHBondContact O-NE2 3.15Å; Y384-H410 VanDerWaalsContact O-NE2 3.11Å; Y384-M488 HydrophobicContact CD2-CE 4.46Å; Y384-L492 HydrophobicContact CD1-CD1 4.22Å; Y384-L492 HydrophobicContact CD2-CD1 3.77Å; Y384-L492 HydrophobicContact CE1-CD1 4.46Å; Y384-L492 HydrophobicContact CE2-CD1 4.03Å; Y384-L492 HydrophobicContact CG-CD1 3.88Å; Y384-R643 VanDerWaalsContact C-CZ 3.42Å; Y384-R643 VanDerWaalsContact C-NH2 3.28Å; Y384-R643 PolarHBondContact O-NH2 2.93Å; Y384-G646 WeakPolarHBondContact CE1-O 3.33Å; Y384-Y649 HydrophobicContact CE1-CD1 4.08Å; Y384-Y649 VanDerWaalsContact OH-CD1 3.29Å; Y384-Y649 WeakPolarHBondContact OH-CD1 3.47Å; Y384-Y649 WeakPolarHBondContact OH-CE1 3.21Å; Y384-R650 HydrophobicContact CD1-CB 4.17Å; Y384-R650 HydrophobicContact CE1-CB 4.46Å
385	G	98.1	Very high	96.3	Very high	3 Å²	3	33.9 Å²	33.9	3%	0.031	19%	0.188	C	C	.	.	S	Bend	trans	68.1	27.7	-175	0	0	0	0	0	112.6	F380 S381 H410 E411	F380-G385 PolarHBondContact O-N 3.48Å; F380-G385 VanDerWaalsContact O-N 3.15Å; S381-G385 WeakPolarHBondContact O-CA 3.46Å; S381-G385 PolarHBondContact O-N 3.01Å; G385-H410 WeakPolarHBondContact O-CA 3.37Å; G385-H410 PolarHBondContact O-CD2 3.36Å; G385-E411 WeakPolarHBondContact CA-OE1 3.47Å; G385-E411 PolarHBondContact O-N 3.49Å
386	V	98.5	Very high	96.1	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	131.8	-176.2	171.8	0	0	0	0	111.3	F380 S381 Y384 V408 V409 H410 L416 M488 L492	F380-V386 CarbonylContact C-O 3.49Å; F380-V386 VanDerWaalsContact C-O 3.29Å; F380-V386 HydrophobicContact CB-CB 4.22Å; F380-V386 HydrophobicContact CB-CG1 4.48Å; F380-V386 PolarHBondContact O-N 2.94Å; F380-V386 VanDerWaalsContact O-N 3.15Å; S381-V386 VanDerWaalsContact CA-O 3.29Å; S381-V386 WeakPolarHBondContact CA-O 3.03Å; S381-V386 PolarHBondContact N-O 3.49Å; S381-V386 PolarHBondContact OG-O 3.49Å; Y384-V386 PolarHBondContact O-N 2.87Å; V386-V408 HydrophobicContact CG1-CG1 3.36Å; V386-V409 CarbonylContact C-O 3.54Å; V386-V409 WeakPolarHBondContact CA-O 3.25Å; V386-H410 HydrophobicContact CG2-CB 4.48Å; V386-L416 HydrophobicContact CG2-CD1 3.76Å; V386-M488 HydrophobicContact CB-CE 4.37Å; V386-M488 HydrophobicContact CG1-CE 3.92Å; V386-M488 HydrophobicContact CG2-CE 4.39Å; V386-L492 HydrophobicContact CG2-CD2 4.11Å
387	S	98.3	Very high	96	Very high	42 Å²	42	35.7 Å²	35.7	29%	0.294	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	140.9	172.4	-65	0	0	0	0	111.7	V409	S387-V409 PolarHBondContact N-O 2.9Å; S387-V409 PolarHBondContact O-N 2.9Å
388	L	98.3	Very high	95.9	Very high	6 Å²	6	35.3 Å²	35.3	3%	0.031	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	113.4	172.1	-57.6	179.8	0	0	0	109.2	V30 M373 L376 N377 F380 V408	V30-L388 HydrophobicContact CG2-CB 4.28Å; M373-L388 HydrophobicContact CE-CD1 4.43Å; L376-L388 HydrophobicContact CB-CD1 4.32Å; N377-L388 HydrophobicContact CB-CB 4.33Å; N377-L388 HydrophobicContact CB-CD1 4.31Å; N377-L388 HydrophobicContact CB-CG 4.39Å; N377-L388 PolarHBondContact OD1-N 3.31Å; F380-L388 HydrophobicContact CD2-CD1 4.11Å; F380-L388 HydrophobicContact CD2-CD2 4.36Å; F380-L388 HydrophobicContact CD2-CG 4.32Å; F380-L388 HydrophobicContact CE2-CD1 4.24Å; L388-V408 HydrophobicContact CD2-CG1 4.39Å; L388-V408 HydrophobicContact CD2-CG2 4.04Å
389	M	97.2	Very high	95.9	Very high	93 Å²	93	33.9 Å²	33.9	46%	0.458	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	119.9	-177.8	-60.2	-171.6	-177.1	0	0	110.4	E391 L406 A407 V409	M389-E391 PolarHBondContact O-N 3.23Å; M389-L406 CarbonylContact O-C 3.59Å; M389-L406 WeakPolarHBondContact O-CA 3.42Å; M389-A407 HydrophobicContact CB-CB 4.35Å; M389-A407 PolarHBondContact N-O 3.23Å; M389-A407 PolarHBondContact O-N 3.43Å; M389-V409 HydrophobicContact CE-CB 4.01Å; M389-V409 HydrophobicContact CE-CG1 4.2Å; M389-V409 HydrophobicContact CE-CG2 4.15Å; M389-V409 HydrophobicContact CG-CG2 4.31Å; M389-V409 HydrophobicContact SD-CB 4.36Å; M389-V409 HydrophobicContact SD-CG2 3.83Å
390	S	94.8	Very high	95.7	Very high	52 Å²	52	35 Å²	35	36%	0.364	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	126.1	174.6	-171.8	0	0	0	0	110.4	A33	A33-S390 WeakPolarHBondContact CB-OG 3.45Å
391	E	93.1	Very high	95.2	Very high	74 Å²	74	41.9 Å²	41.9	35%	0.346	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	152.4	173.9	-68.6	-169	167.1	0	0	110.8	M389 K405 A407 Y418	M389-E391 PolarHBondContact O-N 3.23Å; E391-K405 HydrophobicContact CB-CD 4.37Å; E391-K405 HydrophobicContact CB-CG 4.42Å; E391-K405 PolarHBondContact N-O 2.9Å; E391-K405 IonicContact OE2-NZ 2.88Å; E391-A407 HydrophobicContact CG-CB 4.07Å; E391-A407 WeakPolarHBondContact OE1-CB 3.47Å; E391-Y418 WeakPolarHBondContact OE2-CE1 3.42Å
392	H	90.1	Very high	94.9	Very high	171 Å²	171	42.6 Å²	42.6	79%	0.792	23%	0.233	S	C	*	.	P	Polyproline II helix	trans	-81.7	124.1	170.7	-73.8	-71.6	0	0	0	109.2
393	P	92.5	Very high	94.8	Very high	28 Å²	28	38.2 Å²	38.2	18%	0.182	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-68.1	142.7	172.4	28.5	-33	0	0	0	110	E397 V398	P393-E397 HydrophobicContact CB-CB 4.11Å; P393-E397 HydrophobicContact CB-CG 4.37Å; P393-V398 HydrophobicContact CB-CG1 3.67Å; P393-V398 HydrophobicContact CB-CG2 4.3Å; P393-V398 HydrophobicContact CG-CG1 4Å; P393-V398 HydrophobicContact CG-CG2 4.1Å
394	G	91.8	Very high	94.6	Very high	18 Å²	18	39.4 Å²	39.4	19%	0.186	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-65.1	169.2	174.2	0	0	0	0	0	113.1	R40 G396 E397	R40-G394 PolarHBondContact NH2-O 3.39Å; G394-G396 PolarHBondContact O-N 3.13Å; G394-E397 PolarHBondContact N-OE2 2.87Å; G394-E397 WeakPolarHBondContact O-CB 3.42Å; G394-E397 PolarHBondContact O-N 2.91Å; G394-E397 VanDerWaalsContact O-N 3.16Å
395	A	91.4	Very high	94.6	Very high	23 Å²	23	40.3 Å²	40.3	19%	0.19	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	124.8	174	0	0	0	0	0	111.1	E46 N48 V49 E397	E46-A395 HydrophobicContact CB-CB 3.89Å; N48-A395 CarbonylContact C-O 3.55Å; N48-A395 WeakPolarHBondContact CA-O 3.36Å; N48-A395 PolarHBondContact OD1-O 3.4Å; V49-A395 WeakPolarHBondContact CG2-O 3.4Å; V49-A395 PolarHBondContact N-O 3.29Å; A395-E397 VanDerWaalsContact C-N 3.26Å; A395-E397 PolarHBondContact O-N 2.87Å
396	G	93.3	Very high	94.6	Very high	24 Å²	24	40.1 Å²	40.1	25%	0.247	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.9	-1.1	-178.9	0	0	0	0	0	116.8	N48 G50 L51 G394 V398	N48-G396 WeakPolarHBondContact OD1-CA 3.35Å; G50-G396 CarbonylContact C-O 3.23Å; G50-G396 VanDerWaalsContact C-O 3.23Å; L51-G396 PolarHBondContact N-O 3.45Å; G394-G396 PolarHBondContact O-N 3.13Å; G396-V398 VanDerWaalsContact C-N 3.3Å; G396-V398 PolarHBondContact O-N 2.97Å
397	E	96.3	Very high	94.6	Very high	15 Å²	15	40.2 Å²	40.2	7%	0.07	22%	0.221	C	C	.	.	S	Bend	trans	-67.4	-28.1	-178.9	-169.9	172.5	156.6	0	0	114	V49 G50 F52 P393 G394 A395 K405 Y420	V49-E397 HydrophobicContact CG2-CB 3.73Å; V49-E397 HydrophobicContact CG2-CG 4.32Å; G50-E397 VanDerWaalsContact O-CA 3.29Å; G50-E397 WeakPolarHBondContact O-CA 3.49Å; F52-E397 PolarHBondContact N-O 3.05Å; P393-E397 HydrophobicContact CB-CB 4.11Å; P393-E397 HydrophobicContact CB-CG 4.37Å; G394-E397 PolarHBondContact N-OE2 2.87Å; G394-E397 WeakPolarHBondContact O-CB 3.42Å; G394-E397 PolarHBondContact O-N 2.91Å; G394-E397 VanDerWaalsContact O-N 3.16Å; A395-E397 VanDerWaalsContact C-N 3.26Å; A395-E397 PolarHBondContact O-N 2.87Å; E397-K405 VanDerWaalsContact OE1-CD 3.24Å; E397-K405 WeakPolarHBondContact OE1-CD 3.47Å; E397-K405 VanDerWaalsContact OE1-CE 3.32Å; E397-K405 WeakPolarHBondContact OE1-CE 3.27Å; E397-K405 IonicContact OE1-NZ 3.55Å; E397-K405 PolarHBondContact OE1-NZ 3.37Å; E397-K405 IonicContact OE2-NZ 2.55Å; E397-Y420 HydrophobicContact CG-CE1 4.15Å; E397-Y420 PolarHBondContact OE1-OH 3.29Å
398	V	96.4	Very high	94.6	Very high	13 Å²	13	38.2 Å²	38.2	8%	0.079	21%	0.207	C	C	.	.			trans	-120.4	146.7	-175.8	-66.1	0	0	0	0	111.4	P393 G396 V403 Y420	P393-V398 HydrophobicContact CB-CG1 3.67Å; P393-V398 HydrophobicContact CB-CG2 4.3Å; P393-V398 HydrophobicContact CG-CG1 4Å; P393-V398 HydrophobicContact CG-CG2 4.1Å; G396-V398 VanDerWaalsContact C-N 3.3Å; G396-V398 PolarHBondContact O-N 2.97Å; V398-V403 HydrophobicContact CB-CB 4.04Å; V398-V403 HydrophobicContact CB-CG1 4.22Å; V398-V403 HydrophobicContact CG1-CB 4.05Å; V398-V403 HydrophobicContact CG1-CG1 3.76Å; V398-Y420 HydrophobicContact CG1-CD1 3.93Å; V398-Y420 HydrophobicContact CG1-CE1 3.94Å
399	W	95.3	Very high	94.7	Very high	14 Å²	14	39.4 Å²	39.4	5%	0.053	21%	0.214	C	C	.	.	S	Bend	trans	-83.5	-13.1	-178.1	55.8	95.6	0	0	0	114.1	L51 F52 F110 H115 P116 V403 Y420 D422 V456	L51-W399 HydrophobicContact CD2-CB 4.09Å; F52-W399 HydrophobicContact CD1-CZ3 4.22Å; F52-W399 HydrophobicContact CE1-CE3 4.37Å; F52-W399 AromaticContact CE1-CH2 3.81Å; F52-W399 HydrophobicContact CE1-CH2 3.81Å; F52-W399 AromaticContact CE1-CZ3 3.33Å; F52-W399 HydrophobicContact CE1-CZ3 3.33Å; F52-W399 HydrophobicContact CE2-CE3 4.4Å; F52-W399 HydrophobicContact CE2-CZ3 4.07Å; F52-W399 AromaticContact CZ-CE3 3.95Å; F52-W399 HydrophobicContact CZ-CE3 3.95Å; F52-W399 AromaticContact CZ-CH2 3.82Å; F52-W399 HydrophobicContact CZ-CH2 3.82Å; F52-W399 AromaticContact CZ-CZ3 3.24Å; F52-W399 HydrophobicContact CZ-CZ3 3.24Å; F110-W399 AromaticContact CE1-CD2 3.86Å; F110-W399 HydrophobicContact CE1-CD2 3.86Å; F110-W399 AromaticContact CE1-CE2 3.55Å; F110-W399 AromaticContact CE1-CE3 3.95Å; F110-W399 HydrophobicContact CE1-CE3 3.95Å; F110-W399 AromaticContact CE1-CH2 3.5Å; F110-W399 HydrophobicContact CE1-CH2 3.5Å; F110-W399 AromaticContact CE1-CZ2 3.36Å; F110-W399 HydrophobicContact CE1-CZ2 3.36Å; F110-W399 AromaticContact CE1-CZ3 3.81Å; F110-W399 HydrophobicContact CE1-CZ3 3.81Å; F110-W399 HydrophobicContact CE2-CZ2 4.39Å; F110-W399 HydrophobicContact CZ-CD2 4.27Å; F110-W399 AromaticContact CZ-CE2 3.49Å; F110-W399 VanDerWaalsContact CZ-CE2 3.49Å; F110-W399 AromaticContact CZ-CH2 3.73Å; F110-W399 HydrophobicContact CZ-CH2 3.73Å; F110-W399 AromaticContact CZ-CZ2 3.18Å; F110-W399 HydrophobicContact CZ-CZ2 3.18Å; F110-W399 HydrophobicContact CZ-CZ3 4.46Å; F110-W399 AromaticContact CZ-NE1 3.92Å; H115-W399 WeakPolarHBondContact CD2-CB 3.45Å; P116-W399 WeakPolarHBondContact CD-O 3.38Å; P116-W399 VanDerWaalsContact CG-O 3.3Å; P116-W399 WeakPolarHBondContact CG-O 3.32Å; W399-V403 HydrophobicContact CD2-CG2 4.3Å; W399-V403 HydrophobicContact CH2-CG1 4.01Å; W399-V403 HydrophobicContact CH2-CG2 4.46Å; W399-V403 HydrophobicContact CZ2-CG1 4.1Å; W399-V403 HydrophobicContact CZ2-CG2 3.8Å; W399-Y420 HydrophobicContact CH2-CD1 4.48Å; W399-Y420 HydrophobicContact CH2-CG 4.43Å; W399-Y420 HydrophobicContact CZ3-CD1 4.38Å; W399-D422 HydrophobicContact CZ2-CB 3.85Å; W399-D422 PolarHBondContact NE1-OD2 2.95Å; W399-V456 HydrophobicContact CH2-CG1 4.02Å; W399-V456 HydrophobicContact CH2-CG2 3.74Å; W399-V456 HydrophobicContact CZ2-CG1 3.97Å; W399-V456 HydrophobicContact CZ2-CG2 4.43Å
400	S	93.6	Very high	94.7	Very high	25 Å²	25	35.4 Å²	35.4	18%	0.175	19%	0.194	C	C	.	.	S	Bend	trans	-146.4	148.3	177.8	176	0	0	0	0	110.3	D402 V403	S400-D402 PolarHBondContact O-N 3.28Å; S400-V403 PolarHBondContact O-N 2.94Å
401	E	89.9	Confident	94.8	Very high	144 Å²	144	39.1 Å²	39.1	67%	0.673	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-23.9	-177.1	-61.2	-169.5	156.7	0	0	113.3	P38 V403	P38-E401 WeakPolarHBondContact CB-O 3.46Å; E401-V403 VanDerWaalsContact C-N 3.31Å
402	D	90.8	Very high	95	Very high	49 Å²	49	41.1 Å²	41.1	26%	0.262	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-4.1	-179.1	-58	-46.6	0	0	0	113.7	P38 S400 F424 H463	P38-D402 HydrophobicContact CG-CB 4.32Å; P38-D402 WeakPolarHBondContact CG-OD1 3.46Å; S400-D402 PolarHBondContact O-N 3.28Å; D402-F424 HydrophobicContact CB-CD2 3.76Å; D402-F424 HydrophobicContact CB-CE2 4.33Å; D402-H463 IonicContact OD2-CE1 2.61Å; D402-H463 PolarHBondContact OD2-CE1 3.2Å
403	V	95.1	Very high	95.3	Very high	6 Å²	6	37.6 Å²	37.6	4%	0.036	21%	0.207	C	C	.	.			trans	-73.8	130.6	178.1	179.2	0	0	0	0	109.8	V398 W399 S400 E401 Y420 C421 D422	V398-V403 HydrophobicContact CB-CB 4.04Å; V398-V403 HydrophobicContact CB-CG1 4.22Å; V398-V403 HydrophobicContact CG1-CB 4.05Å; V398-V403 HydrophobicContact CG1-CG1 3.76Å; W399-V403 HydrophobicContact CD2-CG2 4.3Å; W399-V403 HydrophobicContact CH2-CG1 4.01Å; W399-V403 HydrophobicContact CH2-CG2 4.46Å; W399-V403 HydrophobicContact CZ2-CG1 4.1Å; W399-V403 HydrophobicContact CZ2-CG2 3.8Å; S400-V403 PolarHBondContact O-N 2.94Å; E401-V403 VanDerWaalsContact C-N 3.31Å; V403-Y420 HydrophobicContact CG1-CD1 4.12Å; V403-C421 WeakPolarHBondContact CA-O 3.12Å; V403-D422 HydrophobicContact CG2-CB 4.15Å
404	R	94.8	Very high	95.5	Very high	25 Å²	25	37.7 Å²	37.7	9%	0.094	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	145.2	175	-58.9	-173.9	-169.8	-86.8	2.7	110.7	A33 F34 A36 Y420 C421	A33-R404 PolarHBondContact O-NH1 2.88Å; A33-R404 PolarHBondContact O-NH2 3.48Å; A33-R404 VanDerWaalsContact O-NH2 3.13Å; F34-R404 HydrophobicContact CE1-CB 4.29Å; F34-R404 HydrophobicContact CE1-CG 4.41Å; F34-R404 HydrophobicContact CE2-CB 4.45Å; F34-R404 HydrophobicContact CZ-CB 3.9Å; F34-R404 HydrophobicContact CZ-CG 4.39Å; A36-R404 PolarHBondContact O-NH2 2.99Å; R404-Y420 CarbonylContact O-C 3.55Å; R404-Y420 WeakPolarHBondContact O-CA 3.33Å; R404-C421 HydrophobicContact CB-CB 4.32Å; R404-C421 PolarHBondContact N-O 3.37Å; R404-C421 VanDerWaalsContact N-O 3.11Å; R404-C421 PolarHBondContact O-N 3.19Å
405	K	97.1	Very high	95.8	Very high	21 Å²	21	39.6 Å²	39.6	9%	0.091	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	130.7	174.9	-178.9	-179.8	176.1	179.4	0	109.9	E391 E397 Y418 Y420	E391-K405 HydrophobicContact CB-CD 4.37Å; E391-K405 HydrophobicContact CB-CG 4.42Å; E391-K405 PolarHBondContact N-O 2.9Å; E391-K405 IonicContact OE2-NZ 2.88Å; E397-K405 VanDerWaalsContact OE1-CD 3.24Å; E397-K405 WeakPolarHBondContact OE1-CD 3.47Å; E397-K405 VanDerWaalsContact OE1-CE 3.32Å; E397-K405 WeakPolarHBondContact OE1-CE 3.27Å; E397-K405 IonicContact OE1-NZ 3.55Å; E397-K405 PolarHBondContact OE1-NZ 3.37Å; E397-K405 IonicContact OE2-NZ 2.55Å; K405-Y418 HydrophobicContact CD-CD1 4.47Å; K405-Y418 HydrophobicContact CG-CD1 4.38Å; K405-Y420 HydrophobicContact CB-CE1 4.45Å; K405-Y420 HydrophobicContact CD-CE1 4.32Å; K405-Y420 HydrophobicContact CG-CE1 4.35Å
406	L	98.4	Very high	96.1	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	127.9	172	-67.5	176.2	0	0	0	109.4	V30 F34 M373 M389 Y418 I419	V30-L406 HydrophobicContact CG2-CD2 4Å; F34-L406 HydrophobicContact CE2-CD1 4.3Å; F34-L406 HydrophobicContact CE2-CD2 3.82Å; F34-L406 HydrophobicContact CE2-CG 4.27Å; F34-L406 HydrophobicContact CZ-CD1 4.12Å; F34-L406 HydrophobicContact CZ-CD2 4.31Å; F34-L406 HydrophobicContact CZ-CG 4.25Å; M373-L406 HydrophobicContact CE-CD1 3.68Å; M389-L406 CarbonylContact O-C 3.59Å; M389-L406 WeakPolarHBondContact O-CA 3.42Å; L406-Y418 VanDerWaalsContact O-CA 3.29Å; L406-Y418 WeakPolarHBondContact O-CA 3.37Å; L406-I419 HydrophobicContact CB-CB 4.25Å; L406-I419 PolarHBondContact N-O 3.48Å; L406-I419 PolarHBondContact O-N 3.36Å
407	A	98.6	Very high	96.4	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.008	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	131.4	159.2	0	0	0	0	0	108.9	M389 E391 V409 L415 Y418	M389-A407 HydrophobicContact CB-CB 4.35Å; M389-A407 PolarHBondContact N-O 3.23Å; M389-A407 PolarHBondContact O-N 3.43Å; E391-A407 HydrophobicContact CG-CB 4.07Å; E391-A407 WeakPolarHBondContact OE1-CB 3.47Å; A407-V409 HydrophobicContact CB-CG2 4.37Å; A407-L415 HydrophobicContact CB-CD1 3.83Å; A407-Y418 HydrophobicContact CB-CD1 4.12Å; A407-Y418 HydrophobicContact CB-CE1 3.92Å
408	V	98.7	Very high	96.5	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	117	177.3	-174.9	0	0	0	0	107.5	V386 L388 L416 G417 I419 M488 M491	V386-V408 HydrophobicContact CG1-CG1 3.36Å; L388-V408 HydrophobicContact CD2-CG1 4.39Å; L388-V408 HydrophobicContact CD2-CG2 4.04Å; V408-L416 HydrophobicContact CB-CB 4.33Å; V408-L416 HydrophobicContact CG1-CB 4.18Å; V408-L416 HydrophobicContact CG1-CD1 4.35Å; V408-L416 WeakPolarHBondContact O-CA 3.27Å; V408-L416 WeakPolarHBondContact O-CB 3.2Å; V408-L416 PolarHBondContact O-N 3.02Å; V408-G417 PolarHBondContact N-O 3.46Å; V408-I419 HydrophobicContact CG2-CD1 3.58Å; V408-I419 HydrophobicContact CG2-CG1 3.83Å; V408-M488 HydrophobicContact CG1-CE 4.3Å; V408-M488 HydrophobicContact CG1-SD 4.35Å; V408-M491 HydrophobicContact CB-CG 4.15Å; V408-M491 HydrophobicContact CB-SD 4.13Å; V408-M491 HydrophobicContact CG1-CB 4.18Å; V408-M491 HydrophobicContact CG1-CG 4.04Å; V408-M491 HydrophobicContact CG2-CG 3.94Å; V408-M491 HydrophobicContact CG2-SD 3.93Å
409	V	98.7	Very high	96.6	Very high	31 Å²	31	38.5 Å²	38.5	19%	0.188	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	124.9	-169.8	-176.7	0	0	0	0	110.1	V386 S387 M389 A407 G414 L415	V386-V409 CarbonylContact C-O 3.54Å; V386-V409 WeakPolarHBondContact CA-O 3.25Å; S387-V409 PolarHBondContact N-O 2.9Å; S387-V409 PolarHBondContact O-N 2.9Å; M389-V409 HydrophobicContact CE-CB 4.01Å; M389-V409 HydrophobicContact CE-CG1 4.2Å; M389-V409 HydrophobicContact CE-CG2 4.15Å; M389-V409 HydrophobicContact CG-CG2 4.31Å; M389-V409 HydrophobicContact SD-CB 4.36Å; M389-V409 HydrophobicContact SD-CG2 3.83Å; A407-V409 HydrophobicContact CB-CG2 4.37Å; V409-G414 CarbonylContact C-O 3.56Å; V409-G414 WeakPolarHBondContact CA-O 3.45Å; V409-L415 HydrophobicContact CG2-CD1 4.19Å
410	H	98.4	Very high	96.8	Very high	10 Å²	10	38 Å²	38	5%	0.046	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	144.2	170.7	-171.3	-119.9	0	0	0	110.8	Y384 G385 V386 T412 E413 G414 L416 R650	Y384-H410 PolarHBondContact O-CD2 3.35Å; Y384-H410 PolarHBondContact O-NE2 3.15Å; Y384-H410 VanDerWaalsContact O-NE2 3.11Å; G385-H410 WeakPolarHBondContact O-CA 3.37Å; G385-H410 PolarHBondContact O-CD2 3.36Å; V386-H410 HydrophobicContact CG2-CB 4.48Å; H410-T412 VanDerWaalsContact C-N 3.25Å; H410-T412 PolarHBondContact CE1-OG1 3.17Å; H410-T412 PolarHBondContact ND1-N 3.07Å; H410-T412 PolarHBondContact ND1-OG1 3.37Å; H410-T412 VanDerWaalsContact ND1-OG1 3.12Å; H410-T412 PolarHBondContact O-N 3.48Å; H410-E413 HydrophobicContact CB-CB 3.89Å; H410-E413 IonicContact CE1-OE1 3.97Å; H410-E413 PolarHBondContact CE1-OE1 3.07Å; H410-E413 WeakPolarHBondContact ND1-CB 3.38Å; H410-E413 WeakPolarHBondContact ND1-CG 3.34Å; H410-E413 PolarHBondContact ND1-N 3.24Å; H410-E413 IonicContact ND1-OE1 2.85Å; H410-E413 PolarHBondContact ND1-OE1 2.84Å; H410-G414 PolarHBondContact N-O 3.45Å; H410-G414 PolarHBondContact O-N 2.95Å; H410-G414 VanDerWaalsContact O-N 3.13Å; H410-L416 HydrophobicContact CB-CD1 3.93Å; H410-L416 HydrophobicContact CB-CD2 3.48Å; H410-L416 VanDerWaalsContact CB-CD2 3.48Å; H410-L416 HydrophobicContact CB-CG 3.8Å; H410-R650 PolarHBondContact CD2-NH1 2.95Å; H410-R650 PolarHBondContact NE2-NH1 2.71Å
411	E	97.1	Very high	97	Very high	129 Å²	129	36.9 Å²	36.9	60%	0.603	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-29.7	-178.2	66	-168.3	164.4	0	0	114.3	G385 R643	G385-E411 WeakPolarHBondContact CA-OE1 3.47Å; G385-E411 PolarHBondContact O-N 3.49Å; E411-R643 IonicContact OE1-CZ 2.88Å; E411-R643 VanDerWaalsContact OE1-CZ 3.28Å; E411-R643 IonicContact OE1-NH1 3.38Å; E411-R643 PolarHBondContact OE1-NH1 3.46Å; E411-R643 IonicContact OE1-NH2 2.89Å; E411-R643 PolarHBondContact OE1-NH2 3.06Å; E411-R643 IonicContact OE2-NH1 2.93Å
412	T	96.6	Very high	97.3	Very high	117 Å²	117	30.2 Å²	30.2	72%	0.718	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-117.3	-25.8	178	61.4	0	0	0	0	115.2	H410	H410-T412 VanDerWaalsContact C-N 3.25Å; H410-T412 PolarHBondContact CE1-OG1 3.17Å; H410-T412 PolarHBondContact ND1-N 3.07Å; H410-T412 PolarHBondContact ND1-OG1 3.37Å; H410-T412 VanDerWaalsContact ND1-OG1 3.12Å; H410-T412 PolarHBondContact O-N 3.48Å
413	E	95.6	Very high	97.6	Very high	96 Å²	96	28 Å²	28	45%	0.449	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-10.5	-177.5	-69.6	166	-128.3	0	0	112	H410 L416 R494 R650	H410-E413 HydrophobicContact CB-CB 3.89Å; H410-E413 IonicContact CE1-OE1 3.97Å; H410-E413 PolarHBondContact CE1-OE1 3.07Å; H410-E413 WeakPolarHBondContact ND1-CB 3.38Å; H410-E413 WeakPolarHBondContact ND1-CG 3.34Å; H410-E413 PolarHBondContact ND1-N 3.24Å; H410-E413 IonicContact ND1-OE1 2.85Å; H410-E413 PolarHBondContact ND1-OE1 2.84Å; E413-L416 HydrophobicContact CB-CD2 3.86Å; E413-R494 IonicContact OE2-NE 3.52Å; E413-R650 IonicContact OE1-CZ 3.51Å; E413-R650 IonicContact OE1-NH1 2.82Å; E413-R650 IonicContact OE1-NH2 3.37Å; E413-R650 PolarHBondContact OE1-NH2 3.18Å; E413-R650 IonicContact OE2-NH2 2.7Å; E413-R650 PolarHBondContact OE2-NH2 3.38Å
414	G	97.3	Very high	97.6	Very high	30 Å²	30	28 Å²	28	31%	0.309	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	73.6	-143.6	-175.4	0	0	0	0	0	111.9	V409 H410 L416	V409-G414 CarbonylContact C-O 3.56Å; V409-G414 WeakPolarHBondContact CA-O 3.45Å; H410-G414 PolarHBondContact N-O 3.45Å; H410-G414 PolarHBondContact O-N 2.95Å; H410-G414 VanDerWaalsContact O-N 3.13Å; G414-L416 PolarHBondContact O-N 3.18Å
415	L	98.4	Very high	97.4	Very high	59 Å²	59	30.8 Å²	30.8	31%	0.309	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	122.7	-173.9	-179.1	68.3	0	0	0	111.4	A407 V409 Y418 L452	A407-L415 HydrophobicContact CB-CD1 3.83Å; V409-L415 HydrophobicContact CG2-CD1 4.19Å; L415-Y418 HydrophobicContact CD1-CE1 4.3Å; L415-Y418 HydrophobicContact CD2-CE1 4.42Å; L415-Y418 HydrophobicContact CD2-CE2 3.86Å; L415-Y418 VanDerWaalsContact CD2-OH 3.24Å; L415-Y418 WeakPolarHBondContact CD2-OH 3.28Å; L415-L452 HydrophobicContact CB-CD1 4.35Å; L415-L452 HydrophobicContact CD2-CD1 3.41Å; L415-L452 VanDerWaalsContact CD2-CD1 3.41Å; L415-L452 HydrophobicContact CG-CD1 3.71Å; L415-L452 VanDerWaalsContact O-CD2 3.24Å; L415-L452 WeakPolarHBondContact O-CD2 3.42Å
416	L	98.4	Very high	97.2	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.005	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	-27.4	-179	-62.3	-161.7	0	0	0	114.2	V386 V408 H410 E413 G414 P453 L492 R494	V386-L416 HydrophobicContact CG2-CD1 3.76Å; V408-L416 HydrophobicContact CB-CB 4.33Å; V408-L416 HydrophobicContact CG1-CB 4.18Å; V408-L416 HydrophobicContact CG1-CD1 4.35Å; V408-L416 WeakPolarHBondContact O-CA 3.27Å; V408-L416 WeakPolarHBondContact O-CB 3.2Å; V408-L416 PolarHBondContact O-N 3.02Å; H410-L416 HydrophobicContact CB-CD1 3.93Å; H410-L416 HydrophobicContact CB-CD2 3.48Å; H410-L416 VanDerWaalsContact CB-CD2 3.48Å; H410-L416 HydrophobicContact CB-CG 3.8Å; E413-L416 HydrophobicContact CB-CD2 3.86Å; G414-L416 PolarHBondContact O-N 3.18Å; L416-P453 VanDerWaalsContact O-CD 3.27Å; L416-P453 WeakPolarHBondContact O-CD 3.18Å; L416-L492 HydrophobicContact CD1-CD2 3.9Å; L416-R494 PolarHBondContact O-NH1 2.98Å; L416-R494 PolarHBondContact O-NH2 3.34Å
417	G	98.4	Very high	96.6	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	156.5	-170.7	-177	0	0	0	0	0	112.5	V408 P453	V408-G417 PolarHBondContact N-O 3.46Å; G417-P453 VanDerWaalsContact CA-O 3.28Å; G417-P453 WeakPolarHBondContact CA-O 3.44Å
418	Y	98.7	Very high	95.9	Very high	51 Å²	51	46.5 Å²	46.5	20%	0.2	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	140.7	-178.2	-61.6	-82.2	0	0	0	112.4	E391 K405 L406 A407 L415 P453 V454 V455	E391-Y418 WeakPolarHBondContact OE2-CE1 3.42Å; K405-Y418 HydrophobicContact CD-CD1 4.47Å; K405-Y418 HydrophobicContact CG-CD1 4.38Å; L406-Y418 VanDerWaalsContact O-CA 3.29Å; L406-Y418 WeakPolarHBondContact O-CA 3.37Å; A407-Y418 HydrophobicContact CB-CD1 4.12Å; A407-Y418 HydrophobicContact CB-CE1 3.92Å; L415-Y418 HydrophobicContact CD1-CE1 4.3Å; L415-Y418 HydrophobicContact CD2-CE1 4.42Å; L415-Y418 HydrophobicContact CD2-CE2 3.86Å; L415-Y418 VanDerWaalsContact CD2-OH 3.24Å; L415-Y418 WeakPolarHBondContact CD2-OH 3.28Å; Y418-P453 PolarHBondContact N-O 2.94Å; Y418-P453 VanDerWaalsContact N-O 3.07Å; Y418-V454 HydrophobicContact CD2-CG2 4.46Å; Y418-V454 WeakPolarHBondContact O-CA 3.33Å; Y418-V455 PolarHBondContact O-N 2.85Å
419	I	98.8	Very high	95.4	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	126.2	172.6	-56.4	168.1	0	0	0	108.2	L406 V408 V455 L457 M484 A487 M491	L406-I419 HydrophobicContact CB-CB 4.25Å; L406-I419 PolarHBondContact N-O 3.48Å; L406-I419 PolarHBondContact O-N 3.36Å; V408-I419 HydrophobicContact CG2-CD1 3.58Å; V408-I419 HydrophobicContact CG2-CG1 3.83Å; I419-V455 WeakPolarHBondContact CA-O 3.34Å; I419-V455 HydrophobicContact CB-CG2 4.2Å; I419-V455 HydrophobicContact CG1-CG2 3.75Å; I419-V455 HydrophobicContact CG2-CG2 4.17Å; I419-L457 HydrophobicContact CG2-CB 4.49Å; I419-L457 HydrophobicContact CG2-CD1 4.13Å; I419-L457 HydrophobicContact CG2-CG 3.93Å; I419-M484 HydrophobicContact CD1-SD 3.83Å; I419-A487 HydrophobicContact CD1-CB 3.82Å; I419-A487 HydrophobicContact CG1-CB 4.26Å; I419-M491 HydrophobicContact CD1-CG 4.44Å; I419-M491 HydrophobicContact CG1-CE 4.04Å; I419-M491 HydrophobicContact CG1-SD 4.43Å
420	Y	98.6	Very high	94.7	Very high	4 Å²	4	47.7 Å²	47.7	2%	0.016	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	120.5	169.2	-68.4	-102.6	0	0	0	109.1	F52 E397 V398 W399 V403 R404 K405 V454 V455 V456 L457	F52-Y420 HydrophobicContact CD1-CD1 4.42Å; F52-Y420 AromaticContact CD1-CD2 3.89Å; F52-Y420 HydrophobicContact CD1-CD2 3.89Å; F52-Y420 HydrophobicContact CD1-CE1 4.19Å; F52-Y420 AromaticContact CD1-CE2 3.66Å; F52-Y420 HydrophobicContact CD1-CE2 3.66Å; F52-Y420 HydrophobicContact CD1-CG 4.26Å; F52-Y420 AromaticContact CD1-CZ 3.78Å; F52-Y420 HydrophobicContact CE1-CD1 4.47Å; F52-Y420 HydrophobicContact CE1-CD2 4.02Å; F52-Y420 HydrophobicContact CE1-CE2 4.27Å; F52-Y420 HydrophobicContact CE1-CG 4.12Å; E397-Y420 HydrophobicContact CG-CE1 4.15Å; E397-Y420 PolarHBondContact OE1-OH 3.29Å; V398-Y420 HydrophobicContact CG1-CD1 3.93Å; V398-Y420 HydrophobicContact CG1-CE1 3.94Å; W399-Y420 HydrophobicContact CH2-CD1 4.48Å; W399-Y420 HydrophobicContact CH2-CG 4.43Å; W399-Y420 HydrophobicContact CZ3-CD1 4.38Å; V403-Y420 HydrophobicContact CG1-CD1 4.12Å; R404-Y420 CarbonylContact O-C 3.55Å; R404-Y420 WeakPolarHBondContact O-CA 3.33Å; K405-Y420 HydrophobicContact CB-CE1 4.45Å; K405-Y420 HydrophobicContact CD-CE1 4.32Å; K405-Y420 HydrophobicContact CG-CE1 4.35Å; Y420-V454 HydrophobicContact CD2-CG1 3.86Å; Y420-V454 HydrophobicContact CE2-CG1 3.49Å; Y420-V454 VanDerWaalsContact CE2-CG1 3.49Å; Y420-V455 PolarHBondContact N-O 3.32Å; Y420-V456 CarbonylContact O-C 3.52Å; Y420-V456 VanDerWaalsContact O-CA 3.29Å; Y420-V456 WeakPolarHBondContact O-CA 3.46Å; Y420-V456 WeakPolarHBondContact O-CG1 3.46Å; Y420-L457 PolarHBondContact O-N 3.4Å
421	C	98.1	Very high	93.7	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.007	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	102.7	-177.4	-58.6	0	0	0	0	109.9	F34 V403 R404 F423	F34-C421 HydrophobicContact CE1-CB 3.87Å; F34-C421 HydrophobicContact CZ-CB 3.96Å; V403-C421 WeakPolarHBondContact CA-O 3.12Å; R404-C421 HydrophobicContact CB-CB 4.32Å; R404-C421 PolarHBondContact N-O 3.37Å; R404-C421 VanDerWaalsContact N-O 3.11Å; R404-C421 PolarHBondContact O-N 3.19Å; C421-F423 HydrophobicContact CB-CD1 3.9Å; C421-F423 HydrophobicContact CB-CD2 4.09Å; C421-F423 HydrophobicContact CB-CE1 3.6Å; C421-F423 HydrophobicContact CB-CE2 3.81Å; C421-F423 HydrophobicContact CB-CG 4.16Å; C421-F423 HydrophobicContact CB-CZ 3.55Å
422	D	97.1	Very high	93	Very high	3 Å²	3	54.1 Å²	54.1	2%	0.016	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	76.6	173.7	-175.3	-9	0	0	0	109.8	W399 V403 R426 K429 V456 L457 M458 L459	W399-D422 HydrophobicContact CZ2-CB 3.85Å; W399-D422 PolarHBondContact NE1-OD2 2.95Å; V403-D422 HydrophobicContact CG2-CB 4.15Å; D422-R426 IonicContact OD1-CZ 3.95Å; D422-R426 IonicContact OD1-NH1 3.24Å; D422-R426 PolarHBondContact OD1-NH1 3.34Å; D422-R426 IonicContact OD1-NH2 3.38Å; D422-R426 IonicContact OD2-CZ 3.49Å; D422-R426 VanDerWaalsContact OD2-CZ 3.24Å; D422-R426 IonicContact OD2-NH1 3.96Å; D422-R426 PolarHBondContact OD2-NH1 2.93Å; D422-R426 IonicContact OD2-NH2 2.79Å; D422-R426 PolarHBondContact OD2-NH2 3.16Å; D422-K429 PolarHBondContact O-NZ 2.91Å; D422-K429 IonicContact OD1-NZ 2.81Å; D422-K429 PolarHBondContact OD1-NZ 3.02Å; D422-K429 IonicContact OD2-NZ 3.05Å; D422-V456 HydrophobicContact CB-CG1 4.25Å; D422-L457 PolarHBondContact N-O 3.31Å; D422-M458 CarbonylContact O-C 3.29Å; D422-M458 WeakPolarHBondContact O-CA 3.41Å; D422-L459 PolarHBondContact O-N 3.3Å
423	F	96.3	Very high	92.6	Very high	2 Å²	2	50.6 Å²	50.6	1%	0.009	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	-21.4	-163.7	-74.1	-7.4	0	0	0	115.6	F34 L369 M373 C421 L457 L459 L461 L480	F34-F423 HydrophobicContact CD1-CD2 4.06Å; F34-F423 AromaticContact CD1-CE2 3.94Å; F34-F423 HydrophobicContact CD1-CE2 3.94Å; F34-F423 AromaticContact CE1-CD2 3.71Å; F34-F423 HydrophobicContact CE1-CD2 3.71Å; F34-F423 AromaticContact CE1-CE2 3.38Å; F34-F423 HydrophobicContact CE1-CE2 3.38Å; F34-F423 HydrophobicContact CE1-CZ 4.31Å; F34-F423 HydrophobicContact CZ-CE2 4.34Å; L369-F423 HydrophobicContact CD1-CD2 4Å; L369-F423 HydrophobicContact CD1-CE2 4.16Å; L369-F423 HydrophobicContact CD2-CD2 4.15Å; M373-F423 HydrophobicContact SD-CE2 3.92Å; M373-F423 HydrophobicContact SD-CZ 4.3Å; C421-F423 HydrophobicContact CB-CD1 3.9Å; C421-F423 HydrophobicContact CB-CD2 4.09Å; C421-F423 HydrophobicContact CB-CE1 3.6Å; C421-F423 HydrophobicContact CB-CE2 3.81Å; C421-F423 HydrophobicContact CB-CG 4.16Å; C421-F423 HydrophobicContact CB-CZ 3.55Å; F423-L457 HydrophobicContact CE1-CB 3.82Å; F423-L459 CarbonylContact C-O 3.23Å; F423-L459 VanDerWaalsContact C-O 3.31Å; F423-L459 HydrophobicContact CD1-CB 4.17Å; F423-L459 HydrophobicContact CD1-CD1 3.67Å; F423-L459 HydrophobicContact CD1-CG 3.77Å; F423-L459 HydrophobicContact CE1-CD1 3.79Å; F423-L459 HydrophobicContact CE1-CG 4.06Å; F423-L459 HydrophobicContact CG-CD1 4.12Å; F423-L459 HydrophobicContact CZ-CD1 4.33Å; F423-L459 CarbonylContact O-C 3.49Å; F423-L459 VanDerWaalsContact O-C 3.3Å; F423-L461 HydrophobicContact CB-CD1 4.12Å; F423-L461 HydrophobicContact CG-CD1 4.46Å; F423-L461 WeakPolarHBondContact O-CA 3.44Å; F423-L461 WeakPolarHBondContact O-CB 3.37Å; F423-L461 WeakPolarHBondContact O-CG 3.32Å; F423-L461 PolarHBondContact O-N 2.84Å; F423-L480 HydrophobicContact CE1-CD1 4.27Å; F423-L480 HydrophobicContact CE2-CD1 3.93Å; F423-L480 HydrophobicContact CZ-CD1 3.61Å
424	F	94.6	Very high	92.4	Very high	8 Å²	8	47.5 Å²	47.5	4%	0.035	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	149.5	-169	-57.3	-75.3	0	0	0	112.4	L369 D402 K429 L461 H463 T470	L369-F424 HydrophobicContact CD2-CE1 4.22Å; L369-F424 HydrophobicContact CD2-CZ 3.95Å; D402-F424 HydrophobicContact CB-CD2 3.76Å; D402-F424 HydrophobicContact CB-CE2 4.33Å; F424-K429 PolarHBondContact O-NZ 3.28Å; F424-L461 WeakPolarHBondContact CA-O 3.49Å; F424-H463 VanDerWaalsContact CB-CE1 3.47Å; F424-H463 WeakPolarHBondContact CB-CE1 3.42Å; F424-H463 WeakPolarHBondContact CB-NE2 3.3Å; F424-H463 AromaticContact CG-CE1 3.89Å; F424-T470 HydrophobicContact CE1-CG2 4.38Å; F424-T470 WeakPolarHBondContact CE1-OG1 3.3Å
425	H	92.3	Very high	92.4	Very high	83 Å²	83	47.1 Å²	47.1	38%	0.384	22%	0.22	S	C	.	.			trans	-63.8	141.8	169.7	71.3	75.6	0	0	0	110.4	L461 H463	H425-L461 PolarHBondContact CD2-O 3.19Å; H425-L461 VanDerWaalsContact CD2-O 3.28Å; H425-L461 PolarHBondContact N-O 2.72Å; H425-H463 AromaticContact CE1-CD2 3.58Å; H425-H463 AromaticContact ND1-CD2 3.99Å; H425-H463 AromaticContact NE2-CD2 3.59Å; H425-H463 PolarHBondContact O-NE2 3.25Å
426	R	91.6	Very high	92.3	Very high	44 Å²	44	45.8 Å²	45.8	17%	0.166	21%	0.211	C	C	.	.			trans	-147.1	163.4	169.3	65.6	173.4	171.5	-80.6	-2.2	109.4	A114 D422 K429	A114-R426 PolarHBondContact O-NE 3.21Å; A114-R426 PolarHBondContact O-NH2 3.37Å; D422-R426 IonicContact OD1-CZ 3.95Å; D422-R426 IonicContact OD1-NH1 3.24Å; D422-R426 PolarHBondContact OD1-NH1 3.34Å; D422-R426 IonicContact OD1-NH2 3.38Å; D422-R426 IonicContact OD2-CZ 3.49Å; D422-R426 VanDerWaalsContact OD2-CZ 3.24Å; D422-R426 IonicContact OD2-NH1 3.96Å; D422-R426 PolarHBondContact OD2-NH1 2.93Å; D422-R426 IonicContact OD2-NH2 2.79Å; D422-R426 PolarHBondContact OD2-NH2 3.16Å; R426-K429 HydrophobicContact CG-CB 3.47Å; R426-K429 VanDerWaalsContact CG-CB 3.47Å; R426-K429 HydrophobicContact CG-CD 4.03Å; R426-K429 HydrophobicContact CG-CG 4.34Å; R426-K429 PolarHBondContact O-N 3.22Å
427	R	86.8	Confident	92.2	Very high	212 Å²	212	46.8 Å²	46.8	80%	0.8	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.5	141.3	174	-166.5	-171.3	169.5	160.3	1.1	110	K429	R427-K429 PolarHBondContact O-N 3.3Å
428	D	83.8	Confident	92.2	Very high	95 Å²	95	47 Å²	47	51%	0.508	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.2	4.4	176	-47.7	-44.9	0	0	0	115.8
429	K	88.4	Confident	92.1	Very high	9 Å²	9	48.8 Å²	48.8	4%	0.039	23%	0.225	C	C	.	.	S	Bend	trans	-86.7	132.9	166.1	-179.3	-164.9	-174.1	168.2	0	109.1	D422 F424 R426 R427 M458 L459	D422-K429 PolarHBondContact O-NZ 2.91Å; D422-K429 IonicContact OD1-NZ 2.81Å; D422-K429 PolarHBondContact OD1-NZ 3.02Å; D422-K429 IonicContact OD2-NZ 3.05Å; F424-K429 PolarHBondContact O-NZ 3.28Å; R426-K429 HydrophobicContact CG-CB 3.47Å; R426-K429 VanDerWaalsContact CG-CB 3.47Å; R426-K429 HydrophobicContact CG-CD 4.03Å; R426-K429 HydrophobicContact CG-CG 4.34Å; R426-K429 PolarHBondContact O-N 3.22Å; R427-K429 PolarHBondContact O-N 3.3Å; K429-M458 HydrophobicContact CG-SD 4.15Å; K429-L459 WeakPolarHBondContact CE-O 3.43Å; K429-L459 PolarHBondContact NZ-O 2.68Å
430	P	82.4	Confident	92	Very high	47 Å²	47	48.9 Å²	48.9	31%	0.305	23%	0.226	S	C	.	.			trans	-58.7	143.8	174.6	-23.2	33.3	0	0	0	112.7	V113 Q432	V113-P430 HydrophobicContact CG1-CG 3.52Å; P430-Q432 PolarHBondContact O-N 3.39Å
431	H	78.9	Confident	91.9	Very high	155 Å²	155	48.7 Å²	48.7	72%	0.718	23%	0.226	S	C	*	.	S	Bend	trans	-82.8	62.4	170.9	-67.3	-68	0	0	0	110.4	S460	H431-S460 PolarHBondContact ND1-OG 3.24Å
432	Q	80.8	Confident	91.8	Very high	120 Å²	120	48.9 Å²	48.9	56%	0.561	23%	0.226	S	C	*	.			trans	-135	130.9	177.2	-177	176.5	3.5	0	0	109.1	P430	P430-Q432 PolarHBondContact O-N 3.39Å
433	D	90.2	Very high	91.7	Very high	42 Å²	42	53.6 Å²	53.6	23%	0.225	24%	0.244	C	C	.	.			trans	-83.3	129.4	169.8	-63.5	-15.8	0	0	0	107.9	M458 L459 S460 N479	D433-M458 CarbonylContact C-O 3.55Å; D433-M458 VanDerWaalsContact CA-O 3.25Å; D433-M458 WeakPolarHBondContact CA-O 3.47Å; D433-L459 HydrophobicContact CB-CD2 3.6Å; D433-L459 WeakPolarHBondContact OD1-CA 3.44Å; D433-S460 PolarHBondContact OD1-N 2.99Å; D433-N479 PolarHBondContact OD2-ND2 3.32Å
434	C	91.4	Very high	91.5	Very high	31 Å²	31	54.2 Å²	54.2	21%	0.209	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164	150	-174.8	-168.8	0	0	0	0	113.7	F436 M458 E483	C434-F436 HydrophobicContact CB-CD2 4.48Å; C434-F436 HydrophobicContact CB-CE2 3.85Å; C434-F436 HydrophobicContact CB-CZ 4.37Å; C434-M458 PolarHBondContact N-O 3.19Å; C434-M458 PolarHBondContact O-N 2.95Å; C434-E483 WeakPolarHBondContact CA-OE2 3.48Å
435	H	96	Very high	91	Very high	23 Å²	23	57.9 Å²	57.9	11%	0.106	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	126.7	167.1	165	-76.8	0	0	0	111.9	V455 V456 L457 E483 H486 S490	H435-V455 WeakPolarHBondContact NE2-CG1 3.34Å; H435-V456 WeakPolarHBondContact CA-O 3.48Å; H435-L457 HydrophobicContact CB-CD2 3.76Å; H435-E483 PolarHBondContact N-OE2 3.19Å; H435-H486 HydrophobicContact CB-CB 3.78Å; H435-S490 PolarHBondContact CE1-OG 2.92Å; H435-S490 PolarHBondContact NE2-OG 2.74Å; H435-S490 VanDerWaalsContact NE2-OG 3.08Å
436	F	96.8	Very high	90.6	Very high	30 Å²	30	59.3 Å²	59.3	13%	0.132	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	132.6	171.6	-64.7	-96.4	0	0	0	111.3	F110 C434 V455 V456 M458	F110-F436 HydrophobicContact CB-CB 4.3Å; F110-F436 HydrophobicContact CB-CD1 4.09Å; F110-F436 HydrophobicContact CB-CG 4.25Å; F110-F436 HydrophobicContact CD2-CB 4.05Å; F110-F436 AromaticContact CD2-CD1 4Å; F110-F436 HydrophobicContact CD2-CD1 4Å; F110-F436 AromaticContact CD2-CD2 3.62Å; F110-F436 HydrophobicContact CD2-CD2 3.62Å; F110-F436 HydrophobicContact CD2-CE1 4.36Å; F110-F436 HydrophobicContact CD2-CE2 4.02Å; F110-F436 AromaticContact CD2-CG 3.61Å; F110-F436 HydrophobicContact CD2-CG 3.61Å; F110-F436 HydrophobicContact CD2-CZ 4.38Å; F110-F436 HydrophobicContact CE2-CD2 4.09Å; F110-F436 HydrophobicContact CE2-CE2 4.36Å; F110-F436 HydrophobicContact CE2-CG 4.49Å; F110-F436 HydrophobicContact CG-CB 4.44Å; F110-F436 HydrophobicContact CG-CG 4.33Å; C434-F436 HydrophobicContact CB-CD2 4.48Å; C434-F436 HydrophobicContact CB-CE2 3.85Å; C434-F436 HydrophobicContact CB-CZ 4.37Å; F436-V455 CarbonylContact O-C 3.33Å; F436-V455 WeakPolarHBondContact O-CA 3.47Å; F436-V455 WeakPolarHBondContact O-CB 3.39Å; F436-V456 HydrophobicContact CB-CB 4.28Å; F436-V456 PolarHBondContact N-O 2.95Å; F436-V456 PolarHBondContact O-N 2.72Å; F436-M458 HydrophobicContact CD2-CB 4.4Å; F436-M458 HydrophobicContact CE2-CB 4.12Å; F436-M458 HydrophobicContact CE2-CE 3.82Å; F436-M458 HydrophobicContact CE2-SD 4.28Å; F436-M458 HydrophobicContact CZ-CE 4.18Å
437	T	96.6	Very high	90.5	Very high	23 Å²	23	61.2 Å²	61.2	14%	0.141	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	132.4	164.5	-58.9	0	0	0	0	108.3	D106	D106-T437 WeakPolarHBondContact CB-O 3.49Å
438	I	97.6	Very high	90.7	Very high	5 Å²	5	56.6 Å²	56.6	3%	0.026	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	-37.2	173.1	-56.3	-58.9	0	0	0	110.1	F52 L107 F110 V454 V456	F52-I438 HydrophobicContact CB-CG2 4.41Å; F52-I438 HydrophobicContact CD1-CG1 4.29Å; F52-I438 HydrophobicContact CD1-CG2 3.99Å; F52-I438 HydrophobicContact CD2-CG2 3.95Å; F52-I438 HydrophobicContact CE1-CD1 4.1Å; F52-I438 HydrophobicContact CE1-CG1 3.74Å; F52-I438 HydrophobicContact CE1-CG2 4.17Å; F52-I438 HydrophobicContact CE2-CD1 4.18Å; F52-I438 HydrophobicContact CE2-CG2 4.13Å; F52-I438 HydrophobicContact CG-CG2 3.86Å; F52-I438 HydrophobicContact CZ-CD1 3.67Å; F52-I438 HydrophobicContact CZ-CG1 3.85Å; F52-I438 HydrophobicContact CZ-CG2 4.24Å; L107-I438 HydrophobicContact CB-CG2 3.99Å; L107-I438 HydrophobicContact CD1-CG2 3.9Å; L107-I438 HydrophobicContact CG-CG2 3.93Å; F110-I438 HydrophobicContact CB-CD1 3.65Å; F110-I438 HydrophobicContact CD1-CD1 3.98Å; F110-I438 HydrophobicContact CG-CD1 3.88Å; I438-V454 WeakPolarHBondContact CA-O 3.2Å; I438-V454 HydrophobicContact CB-CB 4.22Å; I438-V454 HydrophobicContact CB-CG1 4.02Å; I438-V454 WeakPolarHBondContact CB-O 3.23Å; I438-V454 HydrophobicContact CG1-CG1 4.45Å; I438-V454 HydrophobicContact CG2-CG1 4.32Å; I438-V454 PolarHBondContact N-O 3.08Å; I438-V456 HydrophobicContact CD1-CG2 3.73Å; I438-V456 HydrophobicContact CG1-CG2 3.66Å
439	R	97.1	Very high	91.2	Very high	88 Å²	88	61 Å²	61	33%	0.332	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	125.1	172.2	-179.7	173.2	73.1	-159.4	0.7	108	K103 Q451 L452 P453 V454	K103-R439 HydrophobicContact CG-CG 4.09Å; R439-Q451 HydrophobicContact CG-CG 4.22Å; R439-L452 PolarHBondContact NE-O 3.3Å; R439-L452 PolarHBondContact NH2-O 3.27Å; R439-P453 CarbonylContact O-C 3.6Å; R439-P453 WeakPolarHBondContact O-CA 3.33Å; R439-V454 HydrophobicContact CB-CB 4.18Å; R439-V454 HydrophobicContact CB-CG2 4.38Å; R439-V454 PolarHBondContact N-O 3.2Å; R439-V454 PolarHBondContact O-N 3.23Å
440	G	96.2	Very high	91.6	Very high	2 Å²	2	62.9 Å²	62.9	2%	0.021	30%	0.297	C	S	.	.			trans	-79.2	164	173.8	0	0	0	0	0	113.4	Q451 Q498	G440-Q451 PolarHBondContact O-NE2 2.99Å; G440-Q498 PolarHBondContact O-OE1 3.01Å
441	G	96.1	Very high	92.3	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	29%	0.287	C	S	.	.			trans	-88.8	138.2	178.4	0	0	0	0	0	112	Y450 Q451 T501	G441-Y450 VanDerWaalsContact C-OH 3.27Å; G441-Q451 VanDerWaalsContact CA-O 3.27Å; G441-Q451 WeakPolarHBondContact CA-O 3.08Å; G441-T501 PolarHBondContact N-OG1 3.44Å; G441-T501 WeakPolarHBondContact O-CB 3.47Å; G441-T501 PolarHBondContact O-OG1 2.73Å
442	R	96.3	Very high	93.2	Very high	5 Å²	5	56.2 Å²	56.2	2%	0.019	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	164.2	174.5	59.6	161.1	-94.4	143.2	-10.9	112	D95 E446 Y450 Q451 Q498	D95-R442 IonicContact OD2-CZ 3.89Å; D95-R442 IonicContact OD2-NH1 2.69Å; D95-R442 PolarHBondContact OD2-NH1 2.65Å; R442-E446 IonicContact NH2-OE1 3.72Å; R442-E446 IonicContact NH2-OE2 2.72Å; R442-Y450 VanDerWaalsContact C-CE2 3.48Å; R442-Y450 WeakPolarHBondContact O-CD2 3.21Å; R442-Q451 HydrophobicContact CG-CB 4.05Å; R442-Q451 PolarHBondContact N-O 2.97Å; R442-Q451 WeakPolarHBondContact O-CB 3.45Å; R442-Q451 PolarHBondContact O-N 3.36Å; R442-Q498 HydrophobicContact CB-CB 4.22Å; R442-Q498 HydrophobicContact CG-CB 4.3Å
443	W	95.3	Very high	94	Very high	101 Å²	101	50.5 Å²	50.5	38%	0.383	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	123.4	167.8	-168.5	-97.3	0	0	0	110.2	D448 Y450 R496	W443-D448 WeakPolarHBondContact CZ2-OD1 3.46Å; W443-Y450 HydrophobicContact CE3-CD2 4.04Å; W443-R496 HydrophobicContact CB-CG 3.86Å; W443-R496 PolarHBondContact N-O 2.91Å
444	C	92.5	Very high	94.4	Very high	15 Å²	15	48.9 Å²	48.9	10%	0.101	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	97.8	177.2	-65.8	0	0	0	0	110.5	E446 T447 D448 R449	C444-E446 PolarHBondContact O-N 3.04Å; C444-T447 WeakPolarHBondContact CB-OG1 3.29Å; C444-T447 PolarHBondContact O-N 3.38Å; C444-T447 VanDerWaalsContact O-N 3.14Å; C444-T447 PolarHBondContact O-OG1 3.21Å; C444-D448 WeakPolarHBondContact O-CA 3.45Å; C444-D448 PolarHBondContact O-N 3.46Å; C444-R449 WeakPolarHBondContact CB-O 3.5Å; C444-R449 PolarHBondContact N-O 3.36Å; C444-R449 PolarHBondContact O-N 3.09Å
445	Q	84.3	Confident	94.8	Very high	86 Å²	86	47.4 Å²	47.4	40%	0.402	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-31.8	-179.8	-69.5	-168.6	-29.6	0	0	114	E92 T447 D448	E92-Q445 VanDerWaalsContact CD-CD 3.4Å; E92-Q445 VanDerWaalsContact CD-OE1 3.29Å; E92-Q445 PolarHBondContact OE1-NE2 3.29Å; E92-Q445 PolarHBondContact OE2-NE2 3.07Å; E92-Q445 PolarHBondContact OE2-OE1 3.25Å; Q445-T447 PolarHBondContact O-N 2.55Å; Q445-D448 PolarHBondContact O-N 3.45Å
446	E	84.1	Confident	94.9	Very high	112 Å²	112	46.3 Å²	46.3	52%	0.523	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-26.3	-178.2	-47.3	79.4	-176.3	0	0	111.8	Q96 R442 C444	Q96-E446 PolarHBondContact NE2-OE1 2.96Å; R442-E446 IonicContact NH2-OE1 3.72Å; R442-E446 IonicContact NH2-OE2 2.72Å; C444-E446 PolarHBondContact O-N 3.04Å
447	T	89.1	Confident	94.9	Very high	85 Å²	85	44.9 Å²	44.9	52%	0.521	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.7	-6	-177.2	61.7	0	0	0	0	113.4	C444 Q445 R449	C444-T447 WeakPolarHBondContact CB-OG1 3.29Å; C444-T447 PolarHBondContact O-N 3.38Å; C444-T447 VanDerWaalsContact O-N 3.14Å; C444-T447 PolarHBondContact O-OG1 3.21Å; Q445-T447 PolarHBondContact O-N 2.55Å; T447-R449 WeakPolarHBondContact O-CG 3.38Å; T447-R449 PolarHBondContact O-N 3.45Å
448	D	91.3	Very high	95	Very high	115 Å²	115	43.9 Å²	43.9	62%	0.615	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.6	43.6	-170.3	-159.2	40.5	0	0	0	112.8	W443 C444 Q445	W443-D448 WeakPolarHBondContact CZ2-OD1 3.46Å; C444-D448 WeakPolarHBondContact O-CA 3.45Å; C444-D448 PolarHBondContact O-N 3.46Å; Q445-D448 PolarHBondContact O-N 3.45Å
449	R	94.4	Very high	94.9	Very high	186 Å²	186	43.7 Å²	43.7	70%	0.702	20%	0.2	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-139.7	150.5	-176.6	-71.9	179.1	-174.5	-159.2	0.1	111.5	C444 T447	C444-R449 WeakPolarHBondContact CB-O 3.5Å; C444-R449 PolarHBondContact N-O 3.36Å; C444-R449 PolarHBondContact O-N 3.09Å; T447-R449 WeakPolarHBondContact O-CG 3.38Å; T447-R449 PolarHBondContact O-N 3.45Å
450	Y	96.4	Very high	94.7	Very high	50 Å²	50	41 Å²	41	20%	0.196	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	125.5	170.3	-160.8	-97.8	0	0	0	110.7	G441 R442 W443 L452 G493 T495	G441-Y450 VanDerWaalsContact C-OH 3.27Å; R442-Y450 VanDerWaalsContact C-CE2 3.48Å; R442-Y450 WeakPolarHBondContact O-CD2 3.21Å; W443-Y450 HydrophobicContact CE3-CD2 4.04Å; Y450-L452 HydrophobicContact CD1-CD2 4.27Å; Y450-L452 PolarHBondContact O-N 3.48Å; Y450-G493 PolarHBondContact OH-O 3.35Å; Y450-T495 WeakPolarHBondContact CE2-O 3.34Å; Y450-T495 PolarHBondContact OH-N 3.06Å; Y450-T495 PolarHBondContact OH-O 3.3Å
451	Q	97	Very high	94.7	Very high	22 Å²	22	41 Å²	41	10%	0.103	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	121.5	167.7	170	169.3	-67.5	0	0	109.4	D99 R439 G440 G441 R442	D99-Q451 PolarHBondContact OD1-NE2 3.48Å; R439-Q451 HydrophobicContact CG-CG 4.22Å; G440-Q451 PolarHBondContact O-NE2 2.99Å; G441-Q451 VanDerWaalsContact CA-O 3.27Å; G441-Q451 WeakPolarHBondContact CA-O 3.08Å; R442-Q451 HydrophobicContact CG-CB 4.05Å; R442-Q451 PolarHBondContact N-O 2.97Å; R442-Q451 WeakPolarHBondContact O-CB 3.45Å; R442-Q451 PolarHBondContact O-N 3.36Å
452	L	97.7	Very high	94.5	Very high	39 Å²	39	43.3 Å²	43.3	20%	0.204	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-78.8	133.5	-178.9	-61.4	176.3	0	0	0	111.9	L415 R439 Y450	L415-L452 HydrophobicContact CB-CD1 4.35Å; L415-L452 HydrophobicContact CD2-CD1 3.41Å; L415-L452 VanDerWaalsContact CD2-CD1 3.41Å; L415-L452 HydrophobicContact CG-CD1 3.71Å; L415-L452 VanDerWaalsContact O-CD2 3.24Å; L415-L452 WeakPolarHBondContact O-CD2 3.42Å; R439-L452 PolarHBondContact NE-O 3.3Å; R439-L452 PolarHBondContact NH2-O 3.27Å; Y450-L452 HydrophobicContact CD1-CD2 4.27Å; Y450-L452 PolarHBondContact O-N 3.48Å
453	P	98.1	Very high	94.3	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.006	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-64.4	148.2	173.9	27.6	-35.7	0	0	0	111.8	L416 G417 Y418 R439 S490 M491	L416-P453 VanDerWaalsContact O-CD 3.27Å; L416-P453 WeakPolarHBondContact O-CD 3.18Å; G417-P453 VanDerWaalsContact CA-O 3.28Å; G417-P453 WeakPolarHBondContact CA-O 3.44Å; Y418-P453 PolarHBondContact N-O 2.94Å; Y418-P453 VanDerWaalsContact N-O 3.07Å; R439-P453 CarbonylContact O-C 3.6Å; R439-P453 WeakPolarHBondContact O-CA 3.33Å; P453-S490 WeakPolarHBondContact CG-O 3.19Å; P453-M491 HydrophobicContact CB-CE 4.19Å; P453-M491 HydrophobicContact CG-CE 4.12Å; P453-M491 HydrophobicContact CG-SD 4.07Å
454	V	98.6	Very high	94.1	Very high	8 Å²	8	42.7 Å²	42.7	5%	0.048	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	127.7	173.1	-178.3	0	0	0	0	107.7	F52 Y418 Y420 I438 R439	F52-V454 HydrophobicContact CD1-CG1 4.27Å; Y418-V454 HydrophobicContact CD2-CG2 4.46Å; Y418-V454 WeakPolarHBondContact O-CA 3.33Å; Y420-V454 HydrophobicContact CD2-CG1 3.86Å; Y420-V454 HydrophobicContact CE2-CG1 3.49Å; Y420-V454 VanDerWaalsContact CE2-CG1 3.49Å; I438-V454 WeakPolarHBondContact CA-O 3.2Å; I438-V454 HydrophobicContact CB-CB 4.22Å; I438-V454 HydrophobicContact CB-CG1 4.02Å; I438-V454 WeakPolarHBondContact CB-O 3.23Å; I438-V454 HydrophobicContact CG1-CG1 4.45Å; I438-V454 HydrophobicContact CG2-CG1 4.32Å; I438-V454 PolarHBondContact N-O 3.08Å; R439-V454 HydrophobicContact CB-CB 4.18Å; R439-V454 HydrophobicContact CB-CG2 4.38Å; R439-V454 PolarHBondContact N-O 3.2Å; R439-V454 PolarHBondContact O-N 3.23Å
455	V	98.6	Very high	93.9	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	158.5	-178.4	-53.2	0	0	0	0	111.3	Y418 I419 Y420 H435 F436 A487 M491	Y418-V455 PolarHBondContact O-N 2.85Å; I419-V455 WeakPolarHBondContact CA-O 3.34Å; I419-V455 HydrophobicContact CB-CG2 4.2Å; I419-V455 HydrophobicContact CG1-CG2 3.75Å; I419-V455 HydrophobicContact CG2-CG2 4.17Å; Y420-V455 PolarHBondContact N-O 3.32Å; H435-V455 WeakPolarHBondContact NE2-CG1 3.34Å; F436-V455 CarbonylContact O-C 3.33Å; F436-V455 WeakPolarHBondContact O-CA 3.47Å; F436-V455 WeakPolarHBondContact O-CB 3.39Å; V455-A487 HydrophobicContact CG2-CB 4.19Å; V455-M491 HydrophobicContact CB-CE 4.32Å; V455-M491 HydrophobicContact CG1-CE 3.83Å; V455-M491 HydrophobicContact CG2-CE 3.61Å
456	V	98.6	Very high	93.8	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	133.2	169.3	-177	0	0	0	0	108.8	F52 F110 W399 Y420 D422 H435 F436 I438	F52-V456 HydrophobicContact CE1-CG2 3.62Å; F52-V456 HydrophobicContact CZ-CG2 3.82Å; F110-V456 HydrophobicContact CD1-CG2 4.14Å; F110-V456 HydrophobicContact CD2-CB 4.35Å; F110-V456 HydrophobicContact CD2-CG1 4.38Å; F110-V456 HydrophobicContact CD2-CG2 4.39Å; F110-V456 HydrophobicContact CE1-CG1 4.43Å; F110-V456 HydrophobicContact CE1-CG2 4Å; F110-V456 HydrophobicContact CE2-CB 4.1Å; F110-V456 HydrophobicContact CE2-CG1 3.65Å; F110-V456 HydrophobicContact CE2-CG2 4.26Å; F110-V456 HydrophobicContact CG-CG2 4.33Å; F110-V456 HydrophobicContact CZ-CB 4.29Å; F110-V456 HydrophobicContact CZ-CG1 3.7Å; F110-V456 HydrophobicContact CZ-CG2 4.08Å; W399-V456 HydrophobicContact CH2-CG1 4.02Å; W399-V456 HydrophobicContact CH2-CG2 3.74Å; W399-V456 HydrophobicContact CZ2-CG1 3.97Å; W399-V456 HydrophobicContact CZ2-CG2 4.43Å; Y420-V456 CarbonylContact O-C 3.52Å; Y420-V456 VanDerWaalsContact O-CA 3.29Å; Y420-V456 WeakPolarHBondContact O-CA 3.46Å; Y420-V456 WeakPolarHBondContact O-CG1 3.46Å; D422-V456 HydrophobicContact CB-CG1 4.25Å; H435-V456 WeakPolarHBondContact CA-O 3.48Å; F436-V456 HydrophobicContact CB-CB 4.28Å; F436-V456 PolarHBondContact N-O 2.95Å; F436-V456 PolarHBondContact O-N 2.72Å; I438-V456 HydrophobicContact CD1-CG2 3.73Å; I438-V456 HydrophobicContact CG1-CG2 3.66Å
457	L	98.1	Very high	93.8	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	113.9	162.1	-66.7	-171.7	0	0	0	108.7	I419 Y420 D422 F423 H435 E483 M484 A487	I419-L457 HydrophobicContact CG2-CB 4.49Å; I419-L457 HydrophobicContact CG2-CD1 4.13Å; I419-L457 HydrophobicContact CG2-CG 3.93Å; Y420-L457 PolarHBondContact O-N 3.4Å; D422-L457 PolarHBondContact N-O 3.31Å; F423-L457 HydrophobicContact CE1-CB 3.82Å; H435-L457 HydrophobicContact CB-CD2 3.76Å; L457-E483 HydrophobicContact CD1-CB 4.43Å; L457-E483 HydrophobicContact CD2-CB 4.08Å; L457-E483 WeakPolarHBondContact CD2-O 3.32Å; L457-M484 HydrophobicContact CD1-CE 3.56Å; L457-M484 HydrophobicContact CD1-SD 3.94Å; L457-A487 HydrophobicContact CD1-CB 3.94Å; L457-A487 HydrophobicContact CD2-CB 3.97Å; L457-A487 HydrophobicContact CG-CB 4.11Å
458	M	96.9	Very high	93.8	Very high	2 Å²	2	47.3 Å²	47.3	1%	0.01	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	120.4	179.3	-171	174.2	75.1	0	0	108.9	F110 A114 D422 K429 D433 C434 F436	F110-M458 HydrophobicContact CE2-SD 4.32Å; A114-M458 HydrophobicContact CB-SD 4.21Å; D422-M458 CarbonylContact O-C 3.29Å; D422-M458 WeakPolarHBondContact O-CA 3.41Å; K429-M458 HydrophobicContact CG-SD 4.15Å; D433-M458 CarbonylContact C-O 3.55Å; D433-M458 VanDerWaalsContact CA-O 3.25Å; D433-M458 WeakPolarHBondContact CA-O 3.47Å; C434-M458 PolarHBondContact N-O 3.19Å; C434-M458 PolarHBondContact O-N 2.95Å; F436-M458 HydrophobicContact CD2-CB 4.4Å; F436-M458 HydrophobicContact CE2-CB 4.12Å; F436-M458 HydrophobicContact CE2-CE 3.82Å; F436-M458 HydrophobicContact CE2-SD 4.28Å; F436-M458 HydrophobicContact CZ-CE 4.18Å
459	L	96.3	Very high	93.9	Very high	1 Å²	1	42 Å²	42	1%	0.005	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	169.3	174.2	-54.2	176.8	0	0	0	111	D422 F423 K429 D433 L461 L480 E483	D422-L459 PolarHBondContact O-N 3.3Å; F423-L459 CarbonylContact C-O 3.23Å; F423-L459 VanDerWaalsContact C-O 3.31Å; F423-L459 HydrophobicContact CD1-CB 4.17Å; F423-L459 HydrophobicContact CD1-CD1 3.67Å; F423-L459 HydrophobicContact CD1-CG 3.77Å; F423-L459 HydrophobicContact CE1-CD1 3.79Å; F423-L459 HydrophobicContact CE1-CG 4.06Å; F423-L459 HydrophobicContact CG-CD1 4.12Å; F423-L459 HydrophobicContact CZ-CD1 4.33Å; F423-L459 CarbonylContact O-C 3.49Å; F423-L459 VanDerWaalsContact O-C 3.3Å; K429-L459 WeakPolarHBondContact CE-O 3.43Å; K429-L459 PolarHBondContact NZ-O 2.68Å; D433-L459 HydrophobicContact CB-CD2 3.6Å; D433-L459 WeakPolarHBondContact OD1-CA 3.44Å; L459-L461 HydrophobicContact CB-CG 4.04Å; L459-L461 HydrophobicContact CD1-CD1 4.01Å; L459-L461 HydrophobicContact CD1-CG 4.21Å; L459-L480 HydrophobicContact CD1-CB 4.25Å; L459-L480 HydrophobicContact CD1-CD1 3.77Å; L459-E483 HydrophobicContact CD2-CB 4.34Å; L459-E483 HydrophobicContact CD2-CG 3.73Å
460	S	93.6	Very high	93.9	Very high	30 Å²	30	33.5 Å²	33.5	21%	0.21	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	52.9	174.8	-175.8	0	0	0	0	113.8	H431 D433	H431-S460 PolarHBondContact ND1-OG 3.24Å; D433-S460 PolarHBondContact OD1-N 2.99Å
461	L	94.8	Very high	93.9	Very high	3 Å²	3	33.1 Å²	33.1	2%	0.016	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	153.1	-178.7	-56.8	-175.4	0	0	0	113.7	L369 F423 F424 H425 L459 T470 L472 M476	L369-L461 HydrophobicContact CD1-CD1 3.88Å; L369-L461 HydrophobicContact CD2-CD1 4.41Å; F423-L461 HydrophobicContact CB-CD1 4.12Å; F423-L461 HydrophobicContact CG-CD1 4.46Å; F423-L461 WeakPolarHBondContact O-CA 3.44Å; F423-L461 WeakPolarHBondContact O-CB 3.37Å; F423-L461 WeakPolarHBondContact O-CG 3.32Å; F423-L461 PolarHBondContact O-N 2.84Å; F424-L461 WeakPolarHBondContact CA-O 3.49Å; H425-L461 PolarHBondContact CD2-O 3.19Å; H425-L461 VanDerWaalsContact CD2-O 3.28Å; H425-L461 PolarHBondContact N-O 2.72Å; L459-L461 HydrophobicContact CB-CG 4.04Å; L459-L461 HydrophobicContact CD1-CD1 4.01Å; L459-L461 HydrophobicContact CD1-CG 4.21Å; L461-T470 HydrophobicContact CB-CG2 4.37Å; L461-L472 HydrophobicContact CD1-CD2 3.75Å; L461-L472 HydrophobicContact CD2-CD2 3.95Å; L461-L472 HydrophobicContact CG-CD2 4.37Å; L461-M476 HydrophobicContact CD2-CB 4.08Å; L461-M476 HydrophobicContact CD2-CG 4.09Å; L461-M476 HydrophobicContact CD2-SD 4.21Å
462	P	92.8	Very high	93.8	Very high	48 Å²	48	32 Å²	32	31%	0.312	18%	0.178	S	C	.	.	P	Polyproline II helix	trans	-68.6	145	173.6	28.2	-33.2	0	0	0	112.2	T470	P462-T470 HydrophobicContact CG-CG2 4.27Å; P462-T470 WeakPolarHBondContact O-CG2 3.39Å; P462-T470 PolarHBondContact O-OG1 2.6Å
463	H	91.9	Very high	93.6	Very high	70 Å²	70	32.3 Å²	32.3	32%	0.324	18%	0.182	S	C	.	.	P	Polyproline II helix	trans	-67.4	149.9	173.3	-79.3	-87.9	0	0	0	112.3	D402 F424 H425	D402-H463 IonicContact OD2-CE1 2.61Å; D402-H463 PolarHBondContact OD2-CE1 3.2Å; F424-H463 VanDerWaalsContact CB-CE1 3.47Å; F424-H463 WeakPolarHBondContact CB-CE1 3.42Å; F424-H463 WeakPolarHBondContact CB-NE2 3.3Å; F424-H463 AromaticContact CG-CE1 3.89Å; H425-H463 AromaticContact CE1-CD2 3.58Å; H425-H463 AromaticContact ND1-CD2 3.99Å; H425-H463 AromaticContact NE2-CD2 3.59Å; H425-H463 PolarHBondContact O-NE2 3.25Å
464	P	90.9	Very high	93.4	Very high	24 Å²	24	33 Å²	33	16%	0.156	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-66.1	138.4	175.3	27.5	-34.1	0	0	0	111.1	T470	P464-T470 WeakPolarHBondContact CD-OG1 3.44Å
465	T	87.9	Confident	93	Very high	74 Å²	74	34.4 Å²	34.4	45%	0.454	20%	0.202	S	C	.	.			trans	-83	-178.7	177.9	72.7	0	0	0	0	111.5	R22 S467 A468	R22-T465 PolarHBondContact NH2-O 3.32Å; T465-S467 VanDerWaalsContact C-N 3.31Å; T465-S467 PolarHBondContact OG1-N 2.88Å; T465-S467 PolarHBondContact OG1-OG 2.59Å; T465-A468 PolarHBondContact N-O 3.12Å; T465-A468 VanDerWaalsContact N-O 3.12Å; T465-A468 PolarHBondContact OG1-N 2.96Å
466	K	82.4	Confident	92.9	Very high	207 Å²	207	37.1 Å²	37.1	90%	0.9	22%	0.215	S	C	*	.	S	Bend	trans	-65.6	-35	173.1	-70.6	-175.8	-178.8	177.4	0	112.1
467	S	84.9	Confident	92.8	Very high	101 Å²	101	37.2 Å²	37.2	71%	0.706	22%	0.216	S	C	*	.	S	Bend	trans	-99.3	-20.3	-173.1	47.5	0	0	0	0	114.4	T465	T465-S467 VanDerWaalsContact C-N 3.31Å; T465-S467 PolarHBondContact OG1-N 2.88Å; T465-S467 PolarHBondContact OG1-OG 2.59Å
468	A	88.8	Confident	92.6	Very high	12 Å²	12	38.8 Å²	38.8	10%	0.099	22%	0.223	C	C	.	.	S	Bend	trans	-133.3	153.1	-176.3	0	0	0	0	0	112.6	R22 T465 L471 F534	R22-A468 PolarHBondContact NH1-O 2.84Å; R22-A468 VanDerWaalsContact NH1-O 3.13Å; T465-A468 PolarHBondContact N-O 3.12Å; T465-A468 VanDerWaalsContact N-O 3.12Å; T465-A468 PolarHBondContact OG1-N 2.96Å; A468-L471 HydrophobicContact CB-CD1 4.32Å; A468-F534 HydrophobicContact CB-CE2 3.95Å; A468-F534 HydrophobicContact CB-CZ 4.09Å
469	P	92.9	Very high	92.6	Very high	5 Å²	5	42 Å²	42	3%	0.032	24%	0.241	C	C	.	.			trans	-66.3	179.7	162	32.4	-34.2	0	0	0	110.4	V24 N35 L471 F534	V24-P469 HydrophobicContact CG1-CG 4.32Å; V24-P469 HydrophobicContact CG2-CG 4.29Å; N35-P469 HydrophobicContact CB-CB 4.48Å; N35-P469 WeakPolarHBondContact OD1-CB 3.45Å; P469-L471 HydrophobicContact CG-CD2 3.91Å; P469-L471 PolarHBondContact O-N 3.23Å; P469-F534 HydrophobicContact CG-CB 4.2Å; P469-F534 HydrophobicContact CG-CD2 4.24Å; P469-F534 HydrophobicContact CG-CG 4.39Å
470	T	94.7	Very high	92.7	Very high	6 Å²	6	42 Å²	42	4%	0.037	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-67.2	116.9	167.5	-68.5	0	0	0	0	108.4	S368 L369 F424 L461 P462 P464 L472	S368-T470 CarbonylContact C-O 3.52Å; S368-T470 WeakPolarHBondContact CA-O 3.39Å; L369-T470 HydrophobicContact CB-CG2 4.16Å; L369-T470 HydrophobicContact CD2-CG2 4.38Å; L369-T470 PolarHBondContact N-O 3.5Å; F424-T470 HydrophobicContact CE1-CG2 4.38Å; F424-T470 WeakPolarHBondContact CE1-OG1 3.3Å; L461-T470 HydrophobicContact CB-CG2 4.37Å; P462-T470 HydrophobicContact CG-CG2 4.27Å; P462-T470 WeakPolarHBondContact O-CG2 3.39Å; P462-T470 PolarHBondContact O-OG1 2.6Å; P464-T470 WeakPolarHBondContact CD-OG1 3.44Å; T470-L472 HydrophobicContact CG2-CD2 3.84Å
471	L	95.3	Very high	92.9	Very high	42 Å²	42	40.6 Å²	40.6	22%	0.22	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-101.7	127	177.8	-59.9	179.7	0	0	0	108.3	A468 P469 F534	A468-L471 HydrophobicContact CB-CD1 4.32Å; P469-L471 HydrophobicContact CG-CD2 3.91Å; P469-L471 PolarHBondContact O-N 3.23Å; L471-F534 HydrophobicContact CD1-CD1 4.15Å; L471-F534 HydrophobicContact CD1-CE1 3.94Å; L471-F534 HydrophobicContact CD2-CB 4.3Å; L471-F534 HydrophobicContact CD2-CD1 3.94Å; L471-F534 HydrophobicContact CD2-CG 4.13Å
472	L	95.9	Very high	93.1	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-92.6	139.8	-178.1	-52.9	-171.1	0	0	0	109.8	S364 L367 L369 C372 L461 T470 M476 M477 L480	S364-L472 VanDerWaalsContact CA-O 3.29Å; S364-L472 WeakPolarHBondContact CA-O 3.39Å; S364-L472 WeakPolarHBondContact CB-O 3.38Å; S364-L472 PolarHBondContact OG-O 3.02Å; L367-L472 HydrophobicContact CB-CB 4.26Å; L367-L472 WeakPolarHBondContact CB-O 3.1Å; L367-L472 WeakPolarHBondContact O-CB 3.42Å; L367-L472 PolarHBondContact O-N 3.39Å; L369-L472 HydrophobicContact CD1-CD1 4.26Å; C372-L472 HydrophobicContact CB-CD1 4.16Å; L461-L472 HydrophobicContact CD1-CD2 3.75Å; L461-L472 HydrophobicContact CD2-CD2 3.95Å; L461-L472 HydrophobicContact CG-CD2 4.37Å; T470-L472 HydrophobicContact CG2-CD2 3.84Å; L472-M476 HydrophobicContact CB-CB 3.94Å; L472-M476 HydrophobicContact CD2-CB 4.33Å; L472-M477 HydrophobicContact CB-CB 4.45Å; L472-M477 HydrophobicContact CD1-CB 4.37Å; L472-L480 HydrophobicContact CD1-CD2 3.98Å
473	T	94.4	Very high	93.3	Very high	45 Å²	45	40.1 Å²	40.1	28%	0.276	22%	0.224	S	C	.	.	P	Polyproline II helix	trans	-68.7	162.2	160.5	68.5	0	0	0	0	109.3	P360 G475 M476 M477	P360-T473 HydrophobicContact CB-CG2 3.99Å; T473-G475 PolarHBondContact O-N 3.05Å; T473-M476 HydrophobicContact CG2-SD 4.23Å; T473-M476 PolarHBondContact O-N 3.21Å; T473-M476 WeakPolarHBondContact OG1-CG 3.48Å; T473-M476 PolarHBondContact OG1-N 3.45Å; T473-M477 PolarHBondContact O-N 3.37Å
474	P	92.2	Very high	93.6	Very high	15 Å²	15	36.8 Å²	36.8	10%	0.097	21%	0.209	C	C	.	.	H	α-helix	trans	-52.9	-41.4	173.8	-28.7	36	0	0	0	113.5	Y363 L367 M477 E478 L548	Y363-P474 HydrophobicContact CD1-CG 4.21Å; Y363-P474 HydrophobicContact CG-CG 3.91Å; L367-P474 HydrophobicContact CD1-CG 4.37Å; P474-M477 PolarHBondContact O-N 3.04Å; P474-E478 WeakPolarHBondContact O-CB 3.23Å; P474-E478 PolarHBondContact O-N 2.74Å; P474-L548 HydrophobicContact CB-CD1 3.97Å; P474-L548 HydrophobicContact CB-CD2 3.69Å; P474-L548 HydrophobicContact CG-CD1 4.31Å; P474-L548 HydrophobicContact CG-CD2 4.28Å
475	G	91.9	Very high	94	Very high	38 Å²	38	35.9 Å²	35.9	39%	0.392	20%	0.203	S	C	.	.	H	α-helix	trans	-64.9	-38.4	175.8	0	0	0	0	0	113.6	T473 E478 N479	T473-G475 PolarHBondContact O-N 3.05Å; G475-E478 PolarHBondContact O-N 3.03Å; G475-N479 PolarHBondContact O-N 2.72Å; G475-N479 PolarHBondContact O-OD1 3.17Å
476	M	95.5	Very high	94.4	Very high	56 Å²	56	33.2 Å²	33.2	28%	0.276	19%	0.186	S	C	.	.	H	α-helix	trans	-66.4	-36.5	174.6	-73.2	172.6	173.9	0	0	112.5	L461 L472 T473 L480	L461-M476 HydrophobicContact CD2-CB 4.08Å; L461-M476 HydrophobicContact CD2-CG 4.09Å; L461-M476 HydrophobicContact CD2-SD 4.21Å; L472-M476 HydrophobicContact CB-CB 3.94Å; L472-M476 HydrophobicContact CD2-CB 4.33Å; T473-M476 HydrophobicContact CG2-SD 4.23Å; T473-M476 PolarHBondContact O-N 3.21Å; T473-M476 WeakPolarHBondContact OG1-CG 3.48Å; T473-M476 PolarHBondContact OG1-N 3.45Å; M476-L480 WeakPolarHBondContact O-CB 3.3Å; M476-L480 PolarHBondContact O-N 3.49Å
477	M	95.9	Very high	95.2	Very high	3 Å²	3	23.3 Å²	23.3	2%	0.015	14%	0.143	C	C	.	.	H	α-helix	trans	-65.8	-45.4	174.3	177.8	-169.7	71.6	0	0	110.9	L367 L472 T473 P474 L480 F481 A521 I527 F530	L367-M477 HydrophobicContact CD1-CB 4.33Å; L367-M477 HydrophobicContact CD1-CE 4.46Å; L367-M477 HydrophobicContact CD1-SD 4.03Å; L367-M477 HydrophobicContact CD2-SD 3.56Å; L367-M477 VanDerWaalsContact CD2-SD 3.56Å; L367-M477 HydrophobicContact CG-SD 4.34Å; L472-M477 HydrophobicContact CB-CB 4.45Å; L472-M477 HydrophobicContact CD1-CB 4.37Å; T473-M477 PolarHBondContact O-N 3.37Å; P474-M477 PolarHBondContact O-N 3.04Å; M477-L480 WeakPolarHBondContact O-CB 2.94Å; M477-L480 PolarHBondContact O-N 3.24Å; M477-F481 HydrophobicContact CG-CD2 4.09Å; M477-F481 HydrophobicContact CG-CE2 4.03Å; M477-F481 VanDerWaalsContact O-CD2 3.32Å; M477-F481 WeakPolarHBondContact O-CD2 3.33Å; M477-F481 PolarHBondContact O-N 3.32Å; M477-A521 HydrophobicContact CE-CB 4.37Å; M477-A521 WeakPolarHBondContact CE-O 3.42Å; M477-I527 HydrophobicContact CE-CD1 4.47Å; M477-F530 HydrophobicContact SD-CE2 4.02Å; M477-F530 HydrophobicContact SD-CZ 3.91Å
478	E	95.4	Very high	95.8	Very high	33 Å²	33	18.7 Å²	18.7	15%	0.154	11%	0.11	C	C	.	.	H	α-helix	trans	-58.7	-47.3	177	-172.9	160.9	134.1	0	0	111.9	P474 G475 L480 F481 H482 E518 K552	P474-E478 WeakPolarHBondContact O-CB 3.23Å; P474-E478 PolarHBondContact O-N 2.74Å; G475-E478 PolarHBondContact O-N 3.03Å; E478-L480 VanDerWaalsContact C-N 3.33Å; E478-L480 PolarHBondContact O-N 3Å; E478-F481 PolarHBondContact O-N 3.13Å; E478-F481 VanDerWaalsContact O-N 3.12Å; E478-H482 WeakPolarHBondContact O-CB 3.5Å; E478-H482 PolarHBondContact O-N 3.33Å; E478-E518 HydrophobicContact CG-CB 4.03Å; E478-E518 HydrophobicContact CG-CG 3.84Å; E478-K552 IonicContact OE1-NZ 3.28Å; E478-K552 PolarHBondContact OE1-NZ 2.83Å; E478-K552 WeakPolarHBondContact OE2-CE 3.44Å; E478-K552 IonicContact OE2-NZ 3.57Å; E478-K552 PolarHBondContact OE2-NZ 3.31Å
479	N	96.3	Very high	96.3	Very high	70 Å²	70	18.1 Å²	18.1	37%	0.374	11%	0.105	S	C	.	.	H	α-helix	trans	-58.5	-42.6	173.9	-76.1	16.1	0	0	0	112.1	D433 G475 F481 H482 E483	D433-N479 PolarHBondContact OD2-ND2 3.32Å; G475-N479 PolarHBondContact O-N 2.72Å; G475-N479 PolarHBondContact O-OD1 3.17Å; N479-F481 VanDerWaalsContact C-N 3.31Å; N479-F481 PolarHBondContact O-N 3.36Å; N479-H482 WeakPolarHBondContact O-CB 3.4Å; N479-H482 PolarHBondContact O-N 3.45Å; N479-E483 WeakPolarHBondContact O-CG 3.39Å; N479-E483 PolarHBondContact O-N 3.05Å
480	L	98	Very high	96.5	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-60.4	-41.4	176.1	171.6	64.4	0	0	0	111.8	L369 C372 M373 L376 F423 L459 L472 M476 M477 E478 M484	L369-L480 HydrophobicContact CD1-CD2 3.94Å; C372-L480 HydrophobicContact CB-CD2 3.85Å; M373-L480 HydrophobicContact SD-CD1 4.08Å; M373-L480 HydrophobicContact SD-CD2 4.11Å; L376-L480 HydrophobicContact CD1-CD1 4.4Å; L376-L480 HydrophobicContact CD1-CD2 4.32Å; L376-L480 HydrophobicContact CD1-CG 4.03Å; F423-L480 HydrophobicContact CE1-CD1 4.27Å; F423-L480 HydrophobicContact CE2-CD1 3.93Å; F423-L480 HydrophobicContact CZ-CD1 3.61Å; L459-L480 HydrophobicContact CD1-CB 4.25Å; L459-L480 HydrophobicContact CD1-CD1 3.77Å; L472-L480 HydrophobicContact CD1-CD2 3.98Å; M476-L480 WeakPolarHBondContact O-CB 3.3Å; M476-L480 PolarHBondContact O-N 3.49Å; M477-L480 WeakPolarHBondContact O-CB 2.94Å; M477-L480 PolarHBondContact O-N 3.24Å; E478-L480 VanDerWaalsContact C-N 3.33Å; E478-L480 PolarHBondContact O-N 3Å; L480-M484 WeakPolarHBondContact O-CB 3.21Å; L480-M484 PolarHBondContact O-N 2.83Å; L480-M484 VanDerWaalsContact O-N 3.08Å
481	F	98.2	Very high	96.7	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-67.7	-42.6	176.3	-88.2	-118.4	0	0	0	111.6	L376 L379 M477 E478 N479 M484 G485 M517 A521 F530	L376-F481 HydrophobicContact CD1-CD2 4.4Å; L376-F481 HydrophobicContact CD1-CE2 4.39Å; L376-F481 HydrophobicContact CD2-CB 4.48Å; L376-F481 HydrophobicContact CD2-CD1 3.61Å; L376-F481 HydrophobicContact CD2-CD2 3.83Å; L376-F481 HydrophobicContact CD2-CE1 3.66Å; L376-F481 HydrophobicContact CD2-CE2 3.88Å; L376-F481 HydrophobicContact CD2-CG 3.7Å; L376-F481 HydrophobicContact CD2-CZ 3.8Å; L376-F481 HydrophobicContact CG-CD2 4.09Å; L376-F481 HydrophobicContact CG-CE1 4.28Å; L376-F481 HydrophobicContact CG-CE2 3.79Å; L376-F481 HydrophobicContact CG-CG 4.47Å; L376-F481 HydrophobicContact CG-CZ 3.89Å; L379-F481 HydrophobicContact CD2-CE1 4.17Å; M477-F481 HydrophobicContact CG-CD2 4.09Å; M477-F481 HydrophobicContact CG-CE2 4.03Å; M477-F481 VanDerWaalsContact O-CD2 3.32Å; M477-F481 WeakPolarHBondContact O-CD2 3.33Å; M477-F481 PolarHBondContact O-N 3.32Å; E478-F481 PolarHBondContact O-N 3.13Å; E478-F481 VanDerWaalsContact O-N 3.12Å; N479-F481 VanDerWaalsContact C-N 3.31Å; N479-F481 PolarHBondContact O-N 3.36Å; F481-M484 PolarHBondContact O-N 2.95Å; F481-G485 PolarHBondContact O-N 3.05Å; F481-M517 HydrophobicContact CB-CB 4.2Å; F481-M517 WeakPolarHBondContact O-CB 3.3Å; F481-A521 HydrophobicContact CB-CB 3.84Å; F481-A521 HydrophobicContact CD1-CB 3.68Å; F481-A521 HydrophobicContact CD2-CB 4.29Å; F481-A521 HydrophobicContact CE1-CB 4.28Å; F481-A521 HydrophobicContact CG-CB 3.68Å; F481-F530 HydrophobicContact CE2-CZ 4.21Å; F481-F530 AromaticContact CZ-CE1 3.96Å; F481-F530 HydrophobicContact CZ-CE1 3.96Å; F481-F530 AromaticContact CZ-CZ 3.82Å; F481-F530 HydrophobicContact CZ-CZ 3.82Å
482	H	97.8	Very high	96.8	Very high	27 Å²	27	15.8 Å²	15.8	13%	0.125	9%	0.093	C	C	.	.	H	α-helix	trans	-54.7	-56	175.1	179.6	103.1	0	0	0	111.2	E478 N479 M484 G485 H486 E511 S514 E518	E478-H482 WeakPolarHBondContact O-CB 3.5Å; E478-H482 PolarHBondContact O-N 3.33Å; N479-H482 WeakPolarHBondContact O-CB 3.4Å; N479-H482 PolarHBondContact O-N 3.45Å; H482-M484 VanDerWaalsContact C-N 3.27Å; H482-M484 PolarHBondContact O-N 3.34Å; H482-G485 WeakPolarHBondContact O-CA 3.42Å; H482-G485 PolarHBondContact O-N 2.81Å; H482-H486 AromaticContact CD2-NE2 3.95Å; H482-H486 AromaticContact NE2-CD2 4Å; H482-H486 AromaticContact NE2-NE2 3.41Å; H482-H486 PolarHBondContact NE2-NE2 2.84Å; H482-H486 PolarHBondContact O-N 3.2Å; H482-E511 IonicContact CE1-OE2 2.74Å; H482-E511 IonicContact NE2-OE2 3.44Å; H482-S514 VanDerWaalsContact CE1-CB 3.4Å; H482-S514 WeakPolarHBondContact CE1-CB 3.47Å; H482-S514 PolarHBondContact CE1-OG 2.79Å; H482-S514 WeakPolarHBondContact NE2-CB 3.38Å; H482-S514 PolarHBondContact NE2-OG 3.41Å; H482-S514 WeakPolarHBondContact O-CA 3.31Å; H482-S514 WeakPolarHBondContact O-CB 3.24Å; H482-E518 HydrophobicContact CB-CG 4.2Å; H482-E518 IonicContact CE1-OE1 3.72Å; H482-E518 IonicContact CG-OE1 3.65Å; H482-E518 IonicContact ND1-OE1 3.38Å; H482-E518 PolarHBondContact ND1-OE1 3.35Å
483	E	98.1	Very high	96.8	Very high	15 Å²	15	15.8 Å²	15.8	7%	0.07	9%	0.093	C	C	.	.	H	α-helix	trans	-62.8	-35.2	-180	-68.6	-53.7	148.3	0	0	112.3	C434 H435 L457 L459 N479 G485 H486 A487	C434-E483 WeakPolarHBondContact CA-OE2 3.48Å; H435-E483 PolarHBondContact N-OE2 3.19Å; L457-E483 HydrophobicContact CD1-CB 4.43Å; L457-E483 HydrophobicContact CD2-CB 4.08Å; L457-E483 WeakPolarHBondContact CD2-O 3.32Å; L459-E483 HydrophobicContact CD2-CB 4.34Å; L459-E483 HydrophobicContact CD2-CG 3.73Å; N479-E483 WeakPolarHBondContact O-CG 3.39Å; N479-E483 PolarHBondContact O-N 3.05Å; E483-G485 VanDerWaalsContact C-N 3.26Å; E483-G485 PolarHBondContact O-N 2.86Å; E483-H486 PolarHBondContact O-N 3.41Å; E483-H486 IonicContact OE2-CD2 3.13Å; E483-A487 PolarHBondContact O-N 3.09Å
484	M	98.2	Very high	96.8	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-67.4	-28.1	174.4	-165.3	61.6	66.1	0	0	112.5	M373 L376 F380 I419 L457 L480 F481 H482 A487 M488	M373-M484 HydrophobicContact CE-CE 4.02Å; L376-M484 HydrophobicContact CD1-CB 4.08Å; L376-M484 HydrophobicContact CD1-CE 4.09Å; L376-M484 HydrophobicContact CD1-CG 4.03Å; L376-M484 HydrophobicContact CD2-CB 4.06Å; L376-M484 HydrophobicContact CD2-CG 4.02Å; F380-M484 HydrophobicContact CE2-CG 3.31Å; F380-M484 HydrophobicContact CE2-SD 4.07Å; F380-M484 HydrophobicContact CZ-CB 4.24Å; F380-M484 HydrophobicContact CZ-CG 3.32Å; I419-M484 HydrophobicContact CD1-SD 3.83Å; L457-M484 HydrophobicContact CD1-CE 3.56Å; L457-M484 HydrophobicContact CD1-SD 3.94Å; L480-M484 WeakPolarHBondContact O-CB 3.21Å; L480-M484 PolarHBondContact O-N 2.83Å; L480-M484 VanDerWaalsContact O-N 3.08Å; F481-M484 PolarHBondContact O-N 2.95Å; H482-M484 VanDerWaalsContact C-N 3.27Å; H482-M484 PolarHBondContact O-N 3.34Å; M484-A487 PolarHBondContact O-N 3.11Å; M484-A487 HydrophobicContact SD-CB 3.97Å; M484-M488 HydrophobicContact CG-CG 4.34Å; M484-M488 WeakPolarHBondContact O-CB 3.18Å; M484-M488 WeakPolarHBondContact O-CG 3.43Å; M484-M488 PolarHBondContact O-N 3.02Å
485	G	98.1	Very high	97	Very high	4 Å²	4	16.1 Å²	16.1	4%	0.041	9%	0.088	C	C	.	.	H	α-helix	trans	-60.1	-43.7	170.3	0	0	0	0	0	112.4	F481 H482 E483 M488 H489	F481-G485 PolarHBondContact O-N 3.05Å; H482-G485 WeakPolarHBondContact O-CA 3.42Å; H482-G485 PolarHBondContact O-N 2.81Å; E483-G485 VanDerWaalsContact C-N 3.26Å; E483-G485 PolarHBondContact O-N 2.86Å; G485-M488 PolarHBondContact O-N 3.23Å; G485-H489 PolarHBondContact O-N 3.42Å
486	H	98	Very high	97.2	Very high	18 Å²	18	18 Å²	18	8%	0.083	8%	0.083	C	C	.	.	H	α-helix	trans	-64.2	-45.3	172.5	-67.8	-52.6	0	0	0	112.4	H435 H482 E483 M488 H489 S490 T503 A510 E511 S514	H435-H486 HydrophobicContact CB-CB 3.78Å; H482-H486 AromaticContact CD2-NE2 3.95Å; H482-H486 AromaticContact NE2-CD2 4Å; H482-H486 AromaticContact NE2-NE2 3.41Å; H482-H486 PolarHBondContact NE2-NE2 2.84Å; H482-H486 PolarHBondContact O-N 3.2Å; E483-H486 PolarHBondContact O-N 3.41Å; E483-H486 IonicContact OE2-CD2 3.13Å; H486-M488 VanDerWaalsContact C-N 3.31Å; H486-M488 PolarHBondContact O-N 3.25Å; H486-H489 WeakPolarHBondContact O-CB 3.29Å; H486-H489 PolarHBondContact O-N 3.35Å; H486-S490 PolarHBondContact O-N 2.98Å; H486-S490 PolarHBondContact O-OG 3.36Å; H486-T503 HydrophobicContact CB-CG2 4.34Å; H486-A510 PolarHBondContact CE1-O 3.06Å; H486-A510 PolarHBondContact ND1-O 3.24Å; H486-E511 IonicContact CE1-OE2 2.69Å; H486-E511 IonicContact NE2-OE2 3Å; H486-S514 PolarHBondContact CE1-OG 3.1Å; H486-S514 WeakPolarHBondContact NE2-CB 3.46Å; H486-S514 PolarHBondContact NE2-OG 3.17Å
487	A	98.4	Very high	97.3	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-58.6	-44.4	176.8	0	0	0	0	0	111.5	I419 V455 L457 E483 M484 H489 S490 M491	I419-A487 HydrophobicContact CD1-CB 3.82Å; I419-A487 HydrophobicContact CG1-CB 4.26Å; V455-A487 HydrophobicContact CG2-CB 4.19Å; L457-A487 HydrophobicContact CD1-CB 3.94Å; L457-A487 HydrophobicContact CD2-CB 3.97Å; L457-A487 HydrophobicContact CG-CB 4.11Å; E483-A487 PolarHBondContact O-N 3.09Å; M484-A487 PolarHBondContact O-N 3.11Å; M484-A487 HydrophobicContact SD-CB 3.97Å; A487-H489 PolarHBondContact O-N 3.25Å; A487-S490 WeakPolarHBondContact O-CB 3.35Å; A487-S490 PolarHBondContact O-N 3.45Å; A487-S490 VanDerWaalsContact O-N 3.13Å; A487-M491 VanDerWaalsContact O-CG 3.3Å; A487-M491 WeakPolarHBondContact O-CG 3.46Å; A487-M491 PolarHBondContact O-N 3.14Å
488	M	98.4	Very high	97.3	Very high	4 Å²	4	15.4 Å²	15.4	2%	0.02	7%	0.07	C	C	.	.	H	α-helix	trans	-68.2	-33.1	178.1	-71.2	-48.4	-58.1	0	0	112.7	F380 Y384 V386 V408 M484 G485 H486 S490 M491 L492	F380-M488 HydrophobicContact CD1-CG 4.3Å; F380-M488 HydrophobicContact CD2-CE 4.48Å; F380-M488 HydrophobicContact CD2-CG 3.97Å; F380-M488 HydrophobicContact CD2-SD 3.87Å; F380-M488 HydrophobicContact CE1-CG 3.92Å; F380-M488 HydrophobicContact CE2-CG 3.54Å; F380-M488 HydrophobicContact CE2-SD 3.89Å; F380-M488 HydrophobicContact CG-CG 4.34Å; F380-M488 HydrophobicContact CG-SD 4.43Å; F380-M488 HydrophobicContact CZ-CG 3.52Å; F380-M488 HydrophobicContact CZ-SD 4.46Å; Y384-M488 HydrophobicContact CD2-CE 4.46Å; V386-M488 HydrophobicContact CB-CE 4.37Å; V386-M488 HydrophobicContact CG1-CE 3.92Å; V386-M488 HydrophobicContact CG2-CE 4.39Å; V408-M488 HydrophobicContact CG1-CE 4.3Å; V408-M488 HydrophobicContact CG1-SD 4.35Å; M484-M488 HydrophobicContact CG-CG 4.34Å; M484-M488 WeakPolarHBondContact O-CB 3.18Å; M484-M488 WeakPolarHBondContact O-CG 3.43Å; M484-M488 PolarHBondContact O-N 3.02Å; G485-M488 PolarHBondContact O-N 3.23Å; H486-M488 VanDerWaalsContact C-N 3.31Å; H486-M488 PolarHBondContact O-N 3.25Å; M488-S490 VanDerWaalsContact C-N 3.29Å; M488-S490 PolarHBondContact O-N 2.87Å; M488-M491 HydrophobicContact CE-CB 4.33Å; M488-M491 PolarHBondContact O-N 3.13Å; M488-M491 HydrophobicContact SD-CG 4.46Å; M488-L492 HydrophobicContact CB-CD1 4.4Å; M488-L492 HydrophobicContact CE-CD1 3.75Å; M488-L492 HydrophobicContact CE-CD2 4.27Å; M488-L492 HydrophobicContact CE-CG 3.83Å; M488-L492 VanDerWaalsContact O-CB 3.25Å; M488-L492 WeakPolarHBondContact O-CB 3.36Å; M488-L492 WeakPolarHBondContact O-CG 3.43Å; M488-L492 PolarHBondContact O-N 2.98Å
489	H	98.3	Very high	97.3	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-60	-41.4	169.7	-169	-171.4	0	0	0	111.3	G485 H486 A487 G493 G502 T503 P513 L654	G485-H489 PolarHBondContact O-N 3.42Å; H486-H489 WeakPolarHBondContact O-CB 3.29Å; H486-H489 PolarHBondContact O-N 3.35Å; A487-H489 PolarHBondContact O-N 3.25Å; H489-G493 WeakPolarHBondContact O-CA 3.48Å; H489-G493 PolarHBondContact O-N 3.07Å; H489-G502 PolarHBondContact CE1-O 3.28Å; H489-G502 PolarHBondContact NE2-O 3.09Å; H489-T503 HydrophobicContact CB-CG2 4.33Å; H489-P513 HydrophobicContact CB-CB 4.24Å; H489-P513 HydrophobicContact CB-CG 4.23Å; H489-L654 HydrophobicContact CB-CD2 4.11Å
490	S	97.9	Very high	97.3	Very high	4 Å²	4	12.1 Å²	12.1	3%	0.028	5%	0.052	C	C	.	.	H	α-helix	trans	-66.1	-38.3	173.8	-63.4	0	0	0	0	113.4	H435 P453 H486 A487 M488	H435-S490 PolarHBondContact CE1-OG 2.92Å; H435-S490 PolarHBondContact NE2-OG 2.74Å; H435-S490 VanDerWaalsContact NE2-OG 3.08Å; P453-S490 WeakPolarHBondContact CG-O 3.19Å; H486-S490 PolarHBondContact O-N 2.98Å; H486-S490 PolarHBondContact O-OG 3.36Å; A487-S490 WeakPolarHBondContact O-CB 3.35Å; A487-S490 PolarHBondContact O-N 3.45Å; A487-S490 VanDerWaalsContact O-N 3.13Å; M488-S490 VanDerWaalsContact C-N 3.29Å; M488-S490 PolarHBondContact O-N 2.87Å
491	M	98.3	Very high	97.2	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-75.4	-36.4	-179.4	-62.6	-59.6	123.6	0	0	113.4	V408 I419 P453 V455 A487 M488 R494	V408-M491 HydrophobicContact CB-CG 4.15Å; V408-M491 HydrophobicContact CB-SD 4.13Å; V408-M491 HydrophobicContact CG1-CB 4.18Å; V408-M491 HydrophobicContact CG1-CG 4.04Å; V408-M491 HydrophobicContact CG2-CG 3.94Å; V408-M491 HydrophobicContact CG2-SD 3.93Å; I419-M491 HydrophobicContact CD1-CG 4.44Å; I419-M491 HydrophobicContact CG1-CE 4.04Å; I419-M491 HydrophobicContact CG1-SD 4.43Å; P453-M491 HydrophobicContact CB-CE 4.19Å; P453-M491 HydrophobicContact CG-CE 4.12Å; P453-M491 HydrophobicContact CG-SD 4.07Å; V455-M491 HydrophobicContact CB-CE 4.32Å; V455-M491 HydrophobicContact CG1-CE 3.83Å; V455-M491 HydrophobicContact CG2-CE 3.61Å; A487-M491 VanDerWaalsContact O-CG 3.3Å; A487-M491 WeakPolarHBondContact O-CG 3.46Å; A487-M491 PolarHBondContact O-N 3.14Å; M488-M491 HydrophobicContact CE-CB 4.33Å; M488-M491 PolarHBondContact O-N 3.13Å; M488-M491 HydrophobicContact SD-CG 4.46Å; M491-R494 PolarHBondContact O-NH2 2.94Å
492	L	98	Very high	97	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-92.5	-16.8	-176.1	-62.9	171.8	0	0	0	112.6	Y384 V386 L416 M488 R494 R650 L654	Y384-L492 HydrophobicContact CD1-CD1 4.22Å; Y384-L492 HydrophobicContact CD2-CD1 3.77Å; Y384-L492 HydrophobicContact CE1-CD1 4.46Å; Y384-L492 HydrophobicContact CE2-CD1 4.03Å; Y384-L492 HydrophobicContact CG-CD1 3.88Å; V386-L492 HydrophobicContact CG2-CD2 4.11Å; L416-L492 HydrophobicContact CD1-CD2 3.9Å; M488-L492 HydrophobicContact CB-CD1 4.4Å; M488-L492 HydrophobicContact CE-CD1 3.75Å; M488-L492 HydrophobicContact CE-CD2 4.27Å; M488-L492 HydrophobicContact CE-CG 3.83Å; M488-L492 VanDerWaalsContact O-CB 3.25Å; M488-L492 WeakPolarHBondContact O-CB 3.36Å; M488-L492 WeakPolarHBondContact O-CG 3.43Å; M488-L492 PolarHBondContact O-N 2.98Å; L492-R494 PolarHBondContact O-N 3.36Å; L492-R494 VanDerWaalsContact O-N 3.13Å; L492-R650 HydrophobicContact CB-CG 4.39Å; L492-R650 HydrophobicContact CD2-CG 4.39Å; L492-L654 HydrophobicContact CB-CB 4.1Å; L492-L654 HydrophobicContact CB-CD1 4.21Å; L492-L654 HydrophobicContact CD1-CD1 3.52Å; L492-L654 HydrophobicContact CG-CD1 4.49Å
493	G	96	Very high	96.9	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	6%	0.058	C	C	.	.			trans	-60.7	108.9	166.2	0	0	0	0	0	110.2	Y450 H489 L654	Y450-G493 PolarHBondContact OH-O 3.35Å; H489-G493 WeakPolarHBondContact O-CA 3.48Å; H489-G493 PolarHBondContact O-N 3.07Å; G493-L654 VanDerWaalsContact CA-O 3.29Å; G493-L654 WeakPolarHBondContact CA-O 3.43Å
494	R	94.3	Very high	96.7	Very high	63 Å²	63	15.9 Å²	15.9	24%	0.238	7%	0.069	C	C	.	.			trans	-112.6	47.5	-176.6	-73.2	-71	179.8	-121.9	-24.4	110.5	E413 L416 M491 L492 A655	E413-R494 IonicContact OE2-NE 3.52Å; L416-R494 PolarHBondContact O-NH1 2.98Å; L416-R494 PolarHBondContact O-NH2 3.34Å; M491-R494 PolarHBondContact O-NH2 2.94Å; L492-R494 PolarHBondContact O-N 3.36Å; L492-R494 VanDerWaalsContact O-N 3.13Å; R494-A655 PolarHBondContact N-O 3.49Å; R494-A655 VanDerWaalsContact N-O 3.08Å
495	T	96.2	Very high	96.5	Very high	4 Å²	4	17.1 Å²	17.1	3%	0.025	8%	0.077	C	C	.	.			trans	-73.1	148.1	-177.3	58.8	0	0	0	0	111.5	Y450 Y497 V500 T501 H656 A659	Y450-T495 WeakPolarHBondContact CE2-O 3.34Å; Y450-T495 PolarHBondContact OH-N 3.06Å; Y450-T495 PolarHBondContact OH-O 3.3Å; T495-Y497 VanDerWaalsContact C-N 3.33Å; T495-Y497 PolarHBondContact OG1-O 2.92Å; T495-V500 HydrophobicContact CG2-CG2 4.27Å; T495-T501 WeakPolarHBondContact OG1-CA 3.33Å; T495-H656 VanDerWaalsContact CG2-C 3.49Å; T495-H656 WeakPolarHBondContact CG2-O 3.06Å; T495-A659 HydrophobicContact CG2-CB 4.47Å
496	R	95.9	Very high	96.3	Very high	77 Å²	77	17.8 Å²	17.8	29%	0.291	8%	0.083	S	C	.	.	S	Bend	trans	-70.7	-33.3	174.1	-167.6	167.6	71.8	-161.2	4.7	112.2	D162 T165 W443	D162-R496 IonicContact OD1-CZ 2.63Å; D162-R496 IonicContact OD1-NH1 3.81Å; D162-R496 IonicContact OD1-NH2 2.69Å; D162-R496 PolarHBondContact OD1-NH2 3.29Å; D162-R496 IonicContact OD2-CZ 3.46Å; D162-R496 VanDerWaalsContact OD2-CZ 3.22Å; D162-R496 IonicContact OD2-NH1 3.71Å; D162-R496 PolarHBondContact OD2-NH1 3.14Å; D162-R496 IonicContact OD2-NH2 3.27Å; D162-R496 PolarHBondContact OD2-NH2 3.22Å; T165-R496 PolarHBondContact OG1-NH2 3.31Å; W443-R496 HydrophobicContact CB-CG 3.86Å; W443-R496 PolarHBondContact N-O 2.91Å
497	Y	97.4	Very high	95.9	Very high	4 Å²	4	18.4 Å²	18.4	2%	0.016	9%	0.088	C	C	.	.	S	Bend	trans	-110.8	142.9	-174.2	-61.7	-73.6	0	0	0	111.6	V91 E92 D95 T165 V168 T495	V91-Y497 HydrophobicContact CG1-CE1 4.03Å; E92-Y497 HydrophobicContact CG-CE1 3.86Å; D95-Y497 HydrophobicContact CB-CD1 3.7Å; D95-Y497 HydrophobicContact CB-CE1 4.46Å; D95-Y497 WeakPolarHBondContact OD1-CB 3.21Å; D95-Y497 VanDerWaalsContact OD2-CA 3.31Å; D95-Y497 WeakPolarHBondContact OD2-CA 3Å; T165-Y497 WeakPolarHBondContact CG2-OH 3.37Å; T165-Y497 PolarHBondContact OG1-OH 3.48Å; V168-Y497 HydrophobicContact CB-CD2 4.19Å; V168-Y497 HydrophobicContact CB-CG 4.39Å; V168-Y497 HydrophobicContact CG1-CD1 4.48Å; V168-Y497 HydrophobicContact CG1-CD2 4.48Å; V168-Y497 HydrophobicContact CG1-CG 4.19Å; V168-Y497 HydrophobicContact CG2-CD2 3.65Å; V168-Y497 HydrophobicContact CG2-CE2 4.42Å; V168-Y497 HydrophobicContact CG2-CG 3.93Å; T495-Y497 VanDerWaalsContact C-N 3.33Å; T495-Y497 PolarHBondContact OG1-O 2.92Å
498	Q	95.9	Very high	95.7	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.088	C	C	.	.	G	3₁₀ helix	trans	-67.7	-38.6	177.1	177.8	74	-46.2	0	0	112	D95 D99 G440 R442 V500 T501	D95-Q498 VanDerWaalsContact CG-N 3.26Å; D95-Q498 PolarHBondContact OD1-N 3Å; D95-Q498 PolarHBondContact OD2-N 3.23Å; D99-Q498 HydrophobicContact CB-CB 3.96Å; D99-Q498 HydrophobicContact CB-CG 3.92Å; D99-Q498 PolarHBondContact OD1-NE2 3.01Å; G440-Q498 PolarHBondContact O-OE1 3.01Å; R442-Q498 HydrophobicContact CB-CB 4.22Å; R442-Q498 HydrophobicContact CG-CB 4.3Å; Q498-V500 PolarHBondContact O-N 3.06Å; Q498-T501 WeakPolarHBondContact O-CB 3.44Å; Q498-T501 WeakPolarHBondContact O-CG2 3.39Å; Q498-T501 PolarHBondContact O-N 2.91Å; Q498-T501 VanDerWaalsContact OE1-CG2 3.3Å
499	H	95.9	Very high	95.6	Very high	33 Å²	33	18.2 Å²	18.2	15%	0.153	9%	0.087	C	C	.	.	G	3₁₀ helix	trans	-56.1	-22.7	-175.1	-171.3	69.4	0	0	0	113.1	D95 V168 F172 D175	D95-H499 WeakPolarHBondContact OD1-CB 3.38Å; D95-H499 PolarHBondContact OD1-N 2.8Å; V168-H499 HydrophobicContact CG1-CB 4.39Å; F172-H499 HydrophobicContact CE1-CB 4.24Å; F172-H499 AromaticContact CE1-CE1 3.82Å; F172-H499 AromaticContact CE1-CG 3.73Å; F172-H499 AromaticContact CE1-ND1 3.45Å; F172-H499 WeakPolarHBondContact CE1-ND1 3.21Å; F172-H499 HydrophobicContact CE2-CB 4.32Å; F172-H499 HydrophobicContact CZ-CB 3.74Å; F172-H499 AromaticContact CZ-CG 3.7Å; F172-H499 AromaticContact CZ-ND1 3.88Å; D175-H499 IonicContact OD2-CE1 2.78Å; D175-H499 PolarHBondContact OD2-CE1 2.96Å; D175-H499 IonicContact OD2-NE2 3.92Å
500	V	96.6	Very high	95.3	Very high	2 Å²	2	18.9 Å²	18.9	1%	0.012	9%	0.092	C	C	.	.	G	3₁₀ helix	trans	-119.4	14.9	-178.8	-68	0	0	0	0	113.5	V168 L171 T495 Q498 G657 G658 A659	V168-V500 HydrophobicContact CG2-CG1 3.89Å; V168-V500 HydrophobicContact CG2-CG2 3.83Å; L171-V500 HydrophobicContact CD1-CG1 3.49Å; L171-V500 VanDerWaalsContact CD1-CG1 3.49Å; T495-V500 HydrophobicContact CG2-CG2 4.27Å; Q498-V500 PolarHBondContact O-N 3.06Å; V500-G657 WeakPolarHBondContact O-CA 3.45Å; V500-G658 PolarHBondContact O-N 2.99Å; V500-A659 HydrophobicContact CB-CB 4.3Å; V500-A659 HydrophobicContact CG2-CB 3.88Å
501	T	95.9	Very high	95.2	Very high	5 Å²	5	19.1 Å²	19.1	3%	0.031	9%	0.093	C	C	.	.			trans	-64.8	139.2	-177.3	-174.5	0	0	0	0	113.3	G441 T495 Q498 T503 R504	G441-T501 PolarHBondContact N-OG1 3.44Å; G441-T501 WeakPolarHBondContact O-CB 3.47Å; G441-T501 PolarHBondContact O-OG1 2.73Å; T495-T501 WeakPolarHBondContact OG1-CA 3.33Å; Q498-T501 WeakPolarHBondContact O-CB 3.44Å; Q498-T501 WeakPolarHBondContact O-CG2 3.39Å; Q498-T501 PolarHBondContact O-N 2.91Å; Q498-T501 VanDerWaalsContact OE1-CG2 3.3Å; T501-T503 PolarHBondContact O-N 3.18Å; T501-T503 VanDerWaalsContact O-N 3.16Å; T501-R504 HydrophobicContact CG2-CG 4.18Å; T501-R504 VanDerWaalsContact O-CB 3.28Å; T501-R504 WeakPolarHBondContact O-CB 3.05Å; T501-R504 PolarHBondContact O-N 2.85Å
502	G	94.4	Very high	95.1	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.01	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.1	-120	167.7	0	0	0	0	0	113.1	H489 R504 G657	H489-G502 PolarHBondContact CE1-O 3.28Å; H489-G502 PolarHBondContact NE2-O 3.09Å; G502-R504 PolarHBondContact O-N 3.39Å; G502-G657 VanDerWaalsContact O-CA 3.23Å; G502-G657 WeakPolarHBondContact O-CA 3.44Å
503	T	94.1	Very high	95.1	Very high	32 Å²	32	19.2 Å²	19.2	20%	0.196	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-0.6	-178.6	58.6	0	0	0	0	115.1	H486 H489 T501 C505	H486-T503 HydrophobicContact CB-CG2 4.34Å; H489-T503 HydrophobicContact CB-CG2 4.33Å; T501-T503 PolarHBondContact O-N 3.18Å; T501-T503 VanDerWaalsContact O-N 3.16Å; T503-C505 PolarHBondContact O-N 3.4Å
504	R	94.5	Very high	95.1	Very high	83 Å²	83	19.2 Å²	19.2	31%	0.313	9%	0.094	S	C	.	.			trans	-73.7	66	171.8	-61.9	-171.5	179.3	-93.3	-2.3	111.1	D106 T501 G502 G658	D106-R504 IonicContact OD1-NH2 3.63Å; D106-R504 PolarHBondContact OD1-NH2 3.27Å; D106-R504 IonicContact OD2-CZ 3.3Å; D106-R504 IonicContact OD2-NH2 3.72Å; D106-R504 PolarHBondContact OD2-NH2 3.31Å; T501-R504 HydrophobicContact CG2-CG 4.18Å; T501-R504 VanDerWaalsContact O-CB 3.28Å; T501-R504 WeakPolarHBondContact O-CB 3.05Å; T501-R504 PolarHBondContact O-N 2.85Å; G502-R504 PolarHBondContact O-N 3.39Å; R504-G658 VanDerWaalsContact O-CA 3.26Å; R504-G658 WeakPolarHBondContact O-CA 3.21Å; R504-G658 PolarHBondContact O-N 3.39Å
505	C	93.9	Very high	95.3	Very high	25 Å²	25	16.3 Å²	16.3	17%	0.169	8%	0.083	C	C	.	.	S	Bend	trans	-135.5	-176.1	-177.9	67.3	0	0	0	0	110.6	T503 T507 G657	T503-C505 PolarHBondContact O-N 3.4Å; C505-T507 PolarHBondContact O-N 2.88Å; C505-G657 WeakPolarHBondContact CB-O 3.3Å
506	A	93.4	Very high	95.4	Very high	19 Å²	19	16.1 Å²	16.1	16%	0.157	8%	0.082	C	C	.	.			trans	-63.4	136.9	178.1	0	0	0	0	0	111.4	D508 F509 A510 P662	A506-D508 VanDerWaalsContact C-N 3.28Å; A506-D508 PolarHBondContact O-N 3.2Å; A506-F509 WeakPolarHBondContact O-CA 3.44Å; A506-F509 WeakPolarHBondContact O-CB 3.3Å; A506-F509 PolarHBondContact O-N 2.93Å; A506-A510 PolarHBondContact O-N 2.94Å; A506-P662 HydrophobicContact CB-CB 4.49Å; A506-P662 HydrophobicContact CB-CG 3.37Å
507	T	91.1	Very high	95.5	Very high	31 Å²	31	12.7 Å²	12.7	19%	0.19	7%	0.069	C	C	.	.	H	α-helix	trans	-61	-33.9	-174.1	-49	0	0	0	0	113.1	C505 F509 A510 Y614 K617	C505-T507 PolarHBondContact O-N 2.88Å; T507-F509 PolarHBondContact O-N 2.92Å; T507-A510 PolarHBondContact O-N 3.16Å; T507-Y614 HydrophobicContact CG2-CD1 3.94Å; T507-Y614 HydrophobicContact CG2-CE1 3.79Å; T507-K617 HydrophobicContact CG2-CB 4.3Å; T507-K617 HydrophobicContact CG2-CD 4.25Å
508	D	92.6	Very high	95.5	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-76	1.2	176.1	63.5	-15.2	0	0	0	114.5	T295 M296 A297 A506 Y619 M623 S624	T295-D508 WeakPolarHBondContact CB-OD1 3.46Å; T295-D508 VanDerWaalsContact CB-OD2 3.32Å; T295-D508 WeakPolarHBondContact CB-OD2 3.46Å; M296-D508 WeakPolarHBondContact CA-OD2 3.43Å; M296-D508 WeakPolarHBondContact CB-OD2 3.33Å; M296-D508 HydrophobicContact CE-CB 4.2Å; M296-D508 WeakPolarHBondContact CE-O 3.3Å; M296-D508 PolarHBondContact N-OD1 2.7Å; M296-D508 PolarHBondContact N-OD2 2.74Å; A297-D508 PolarHBondContact N-OD2 2.84Å; A506-D508 VanDerWaalsContact C-N 3.28Å; A506-D508 PolarHBondContact O-N 3.2Å; D508-Y619 HydrophobicContact CB-CE2 4.01Å; D508-Y619 PolarHBondContact OD2-OH 3.25Å; D508-M623 HydrophobicContact CB-SD 4.43Å; D508-S624 PolarHBondContact O-OG 3.43Å
509	F	96	Very high	95.5	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-115.4	-29.5	169	-178.4	-92.2	0	0	0	113.4	A506 T507 E511 V512 P513 M653 P662 M665 V666	A506-F509 WeakPolarHBondContact O-CA 3.44Å; A506-F509 WeakPolarHBondContact O-CB 3.3Å; A506-F509 PolarHBondContact O-N 2.93Å; T507-F509 PolarHBondContact O-N 2.92Å; F509-E511 PolarHBondContact O-N 3.28Å; F509-E511 VanDerWaalsContact O-N 3.08Å; F509-V512 HydrophobicContact CD2-CG2 4.27Å; F509-V512 VanDerWaalsContact O-CB 3.31Å; F509-V512 WeakPolarHBondContact O-CB 3.45Å; F509-V512 WeakPolarHBondContact O-CG2 3.33Å; F509-V512 PolarHBondContact O-N 3.26Å; F509-P513 WeakPolarHBondContact O-CD 3.3Å; F509-M653 HydrophobicContact CD2-CE 4.47Å; F509-M653 HydrophobicContact CE2-CE 3.46Å; F509-M653 VanDerWaalsContact CE2-CE 3.46Å; F509-M653 HydrophobicContact CE2-CG 4.46Å; F509-M653 HydrophobicContact CZ-CB 3.93Å; F509-M653 HydrophobicContact CZ-CE 3.89Å; F509-M653 HydrophobicContact CZ-CG 4.3Å; F509-P662 HydrophobicContact CB-CB 3.88Å; F509-P662 HydrophobicContact CB-CG 4.22Å; F509-P662 HydrophobicContact CD2-CB 4.18Å; F509-P662 HydrophobicContact CG-CB 4.18Å; F509-M665 HydrophobicContact CD1-CE 3.66Å; F509-M665 HydrophobicContact CD2-CE 4.14Å; F509-M665 HydrophobicContact CE1-CE 3.42Å; F509-M665 VanDerWaalsContact CE1-CE 3.42Å; F509-M665 HydrophobicContact CE1-SD 4.02Å; F509-M665 HydrophobicContact CE2-CB 3.92Å; F509-M665 HydrophobicContact CE2-CE 3.9Å; F509-M665 HydrophobicContact CE2-SD 4.44Å; F509-M665 HydrophobicContact CG-CE 4.01Å; F509-M665 HydrophobicContact CZ-CB 4.07Å; F509-M665 HydrophobicContact CZ-CE 3.54Å; F509-M665 HydrophobicContact CZ-SD 3.8Å; F509-V666 HydrophobicContact CD2-CG2 4.24Å; F509-V666 HydrophobicContact CE2-CG2 4.21Å
510	A	93.8	Very high	95.6	Very high	13 Å²	13	13.8 Å²	13.8	11%	0.107	7%	0.073	C	C	.	.	H	α-helix	trans	-55.8	-29.5	-175.3	0	0	0	0	0	113.9	H486 A506 T507	H486-A510 PolarHBondContact CE1-O 3.06Å; H486-A510 PolarHBondContact ND1-O 3.24Å; A506-A510 PolarHBondContact O-N 2.94Å; T507-A510 PolarHBondContact O-N 3.16Å
511	E	94.4	Very high	95.5	Very high	10 Å²	10	13.7 Å²	13.7	5%	0.047	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-11	177.5	-56.3	-62.8	153.4	0	0	113.6	H482 H486 F509 S514 I515 Y614 Y621	H482-E511 IonicContact CE1-OE2 2.74Å; H482-E511 IonicContact NE2-OE2 3.44Å; H486-E511 IonicContact CE1-OE2 2.69Å; H486-E511 IonicContact NE2-OE2 3Å; F509-E511 PolarHBondContact O-N 3.28Å; F509-E511 VanDerWaalsContact O-N 3.08Å; E511-S514 WeakPolarHBondContact CA-OG 3.26Å; E511-S514 PolarHBondContact O-N 2.8Å; E511-S514 PolarHBondContact O-OG 2.91Å; E511-S514 PolarHBondContact OE2-OG 3.44Å; E511-I515 HydrophobicContact CB-CD1 3.91Å; E511-I515 HydrophobicContact CB-CG1 4.49Å; E511-I515 WeakPolarHBondContact O-CB 3.21Å; E511-I515 WeakPolarHBondContact O-CD1 3.39Å; E511-I515 VanDerWaalsContact O-CG1 3.23Å; E511-I515 WeakPolarHBondContact O-CG1 3.18Å; E511-I515 PolarHBondContact O-N 3.47Å; E511-Y614 PolarHBondContact OE1-OH 3.36Å; E511-Y614 VanDerWaalsContact OE1-OH 3.11Å; E511-Y621 HydrophobicContact CG-CD1 4.15Å; E511-Y621 HydrophobicContact CG-CE1 4.19Å
512	V	97.7	Very high	95.3	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-63.1	-45.6	-177.9	177.3	0	0	0	0	111.7	F509 S514 L516 V627 A628 M653	F509-V512 HydrophobicContact CD2-CG2 4.27Å; F509-V512 VanDerWaalsContact O-CB 3.31Å; F509-V512 WeakPolarHBondContact O-CB 3.45Å; F509-V512 WeakPolarHBondContact O-CG2 3.33Å; F509-V512 PolarHBondContact O-N 3.26Å; V512-S514 PolarHBondContact O-N 3.48Å; V512-L516 VanDerWaalsContact O-CB 3.3Å; V512-L516 WeakPolarHBondContact O-CB 3.39Å; V512-L516 PolarHBondContact O-N 2.78Å; V512-V627 HydrophobicContact CB-CG1 4.48Å; V512-V627 HydrophobicContact CG1-CB 4.34Å; V512-V627 HydrophobicContact CG1-CG1 3.71Å; V512-V627 HydrophobicContact CG2-CB 3.9Å; V512-V627 HydrophobicContact CG2-CG1 3.88Å; V512-A628 HydrophobicContact CG1-CB 4.43Å; V512-M653 HydrophobicContact CG1-CE 3.64Å
513	P	97.2	Very high	95.4	Very high	2 Å²	2	15.5 Å²	15.5	1%	0.013	8%	0.083	C	C	.	.	H	α-helix	trans	-63.9	-37	177.2	-23.3	35.9	0	0	0	114.8	H489 F509 M517 Y649 L654	H489-P513 HydrophobicContact CB-CB 4.24Å; H489-P513 HydrophobicContact CB-CG 4.23Å; F509-P513 WeakPolarHBondContact O-CD 3.3Å; P513-M517 WeakPolarHBondContact O-CG 3.21Å; P513-M517 PolarHBondContact O-N 3.42Å; P513-Y649 WeakPolarHBondContact CA-OH 3.5Å; P513-Y649 VanDerWaalsContact CB-OH 3.28Å; P513-Y649 WeakPolarHBondContact CB-OH 3.45Å; P513-Y649 WeakPolarHBondContact CG-OH 3.19Å; P513-L654 HydrophobicContact CB-CD2 3.86Å; P513-L654 HydrophobicContact CG-CD2 3.65Å
514	S	96.9	Very high	95.4	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-71.5	-47.2	179.1	55.4	0	0	0	0	111.5	H482 H486 E511 V512 L516 M517 E518	H482-S514 VanDerWaalsContact CE1-CB 3.4Å; H482-S514 WeakPolarHBondContact CE1-CB 3.47Å; H482-S514 PolarHBondContact CE1-OG 2.79Å; H482-S514 WeakPolarHBondContact NE2-CB 3.38Å; H482-S514 PolarHBondContact NE2-OG 3.41Å; H482-S514 WeakPolarHBondContact O-CA 3.31Å; H482-S514 WeakPolarHBondContact O-CB 3.24Å; H486-S514 PolarHBondContact CE1-OG 3.1Å; H486-S514 WeakPolarHBondContact NE2-CB 3.46Å; H486-S514 PolarHBondContact NE2-OG 3.17Å; E511-S514 WeakPolarHBondContact CA-OG 3.26Å; E511-S514 PolarHBondContact O-N 2.8Å; E511-S514 PolarHBondContact O-OG 2.91Å; E511-S514 PolarHBondContact OE2-OG 3.44Å; V512-S514 PolarHBondContact O-N 3.48Å; S514-L516 VanDerWaalsContact C-N 3.31Å; S514-L516 PolarHBondContact O-N 2.9Å; S514-M517 WeakPolarHBondContact O-CB 3.2Å; S514-M517 PolarHBondContact O-N 2.92Å; S514-E518 PolarHBondContact O-N 2.82Å
515	I	97	Very high	95.5	Very high	2 Å²	2	18 Å²	18	1%	0.01	9%	0.089	C	C	.	.	H	α-helix	trans	-64.3	-35.7	177.1	-62	165.4	0	0	0	111.6	E511 M517 E518 Y519 R625 A628	E511-I515 HydrophobicContact CB-CD1 3.91Å; E511-I515 HydrophobicContact CB-CG1 4.49Å; E511-I515 WeakPolarHBondContact O-CB 3.21Å; E511-I515 WeakPolarHBondContact O-CD1 3.39Å; E511-I515 VanDerWaalsContact O-CG1 3.23Å; E511-I515 WeakPolarHBondContact O-CG1 3.18Å; E511-I515 PolarHBondContact O-N 3.47Å; I515-M517 VanDerWaalsContact C-N 3.25Å; I515-M517 PolarHBondContact O-N 3.29Å; I515-E518 VanDerWaalsContact O-CB 3.3Å; I515-E518 WeakPolarHBondContact O-CB 3.43Å; I515-E518 PolarHBondContact O-N 2.85Å; I515-E518 VanDerWaalsContact O-N 3.09Å; I515-Y519 HydrophobicContact CG2-CE2 4.15Å; I515-Y519 WeakPolarHBondContact O-CD2 3.38Å; I515-Y519 PolarHBondContact O-N 3.36Å; I515-R625 HydrophobicContact CD1-CB 4.15Å; I515-R625 HydrophobicContact CG2-CB 4.32Å; I515-R625 HydrophobicContact CG2-CG 4.28Å; I515-A628 HydrophobicContact CB-CB 3.99Å; I515-A628 HydrophobicContact CG2-CB 3.7Å
516	L	98.3	Very high	95.6	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-61.8	-34.8	174.8	-175	63.9	0	0	0	111.9	V512 S514 E518 Y519 F520 A628 V631 W632 F636 Y649	V512-L516 VanDerWaalsContact O-CB 3.3Å; V512-L516 WeakPolarHBondContact O-CB 3.39Å; V512-L516 PolarHBondContact O-N 2.78Å; S514-L516 VanDerWaalsContact C-N 3.31Å; S514-L516 PolarHBondContact O-N 2.9Å; L516-E518 VanDerWaalsContact C-N 3.29Å; L516-E518 PolarHBondContact O-N 3.44Å; L516-Y519 WeakPolarHBondContact O-CB 3.24Å; L516-Y519 PolarHBondContact O-N 2.92Å; L516-F520 HydrophobicContact CD1-CE2 4.34Å; L516-F520 HydrophobicContact CD2-CE2 4.22Å; L516-F520 HydrophobicContact CG-CD2 4.4Å; L516-F520 HydrophobicContact CG-CE2 3.83Å; L516-F520 VanDerWaalsContact O-CD2 3.23Å; L516-F520 WeakPolarHBondContact O-CD2 3.39Å; L516-F520 PolarHBondContact O-N 3.21Å; L516-A628 HydrophobicContact CB-CB 4.32Å; L516-V631 HydrophobicContact CD1-CB 4.44Å; L516-V631 HydrophobicContact CD1-CG1 4.08Å; L516-V631 HydrophobicContact CD2-CG1 3.9Å; L516-W632 HydrophobicContact CD1-CB 4.14Å; L516-W632 HydrophobicContact CD1-CE3 4.31Å; L516-F636 HydrophobicContact CD1-CD2 4.39Å; L516-F636 HydrophobicContact CD2-CE2 4.14Å; L516-Y649 HydrophobicContact CD2-CD1 4.27Å; L516-Y649 HydrophobicContact CD2-CD2 4.25Å; L516-Y649 HydrophobicContact CD2-CE1 3.83Å; L516-Y649 HydrophobicContact CD2-CE2 3.82Å; L516-Y649 HydrophobicContact CD2-CG 4.46Å
517	M	98.2	Very high	95.7	Very high	4 Å²	4	16.1 Å²	16.1	2%	0.02	8%	0.075	C	C	.	.	H	α-helix	trans	-66.6	-28.6	174.4	-68.1	-57.8	107.3	0	0	113.2	L379 F380 F481 P513 S514 I515 Y519 F520 A521	L379-M517 HydrophobicContact CD2-SD 4.12Å; F380-M517 HydrophobicContact CE1-SD 3.87Å; F481-M517 HydrophobicContact CB-CB 4.2Å; F481-M517 WeakPolarHBondContact O-CB 3.3Å; P513-M517 WeakPolarHBondContact O-CG 3.21Å; P513-M517 PolarHBondContact O-N 3.42Å; S514-M517 WeakPolarHBondContact O-CB 3.2Å; S514-M517 PolarHBondContact O-N 2.92Å; I515-M517 VanDerWaalsContact C-N 3.25Å; I515-M517 PolarHBondContact O-N 3.29Å; M517-Y519 VanDerWaalsContact C-N 3.29Å; M517-Y519 PolarHBondContact O-N 3.14Å; M517-F520 HydrophobicContact CE-CD2 3.41Å; M517-F520 VanDerWaalsContact CE-CD2 3.41Å; M517-F520 HydrophobicContact CE-CE2 3.44Å; M517-F520 VanDerWaalsContact CE-CE2 3.44Å; M517-F520 PolarHBondContact O-N 3.34Å; M517-F520 HydrophobicContact SD-CD2 3.98Å; M517-A521 WeakPolarHBondContact O-CB 3.44Å; M517-A521 PolarHBondContact O-N 3.08Å
518	E	97	Very high	95.8	Very high	29 Å²	29	16.1 Å²	16.1	14%	0.136	8%	0.076	C	C	.	.	H	α-helix	trans	-62.3	-37.7	172.2	-58.3	171.7	-156	0	0	111.4	E478 H482 S514 I515 L516 A521 T522	E478-E518 HydrophobicContact CG-CB 4.03Å; E478-E518 HydrophobicContact CG-CG 3.84Å; H482-E518 HydrophobicContact CB-CG 4.2Å; H482-E518 IonicContact CE1-OE1 3.72Å; H482-E518 IonicContact CG-OE1 3.65Å; H482-E518 IonicContact ND1-OE1 3.38Å; H482-E518 PolarHBondContact ND1-OE1 3.35Å; S514-E518 PolarHBondContact O-N 2.82Å; I515-E518 VanDerWaalsContact O-CB 3.3Å; I515-E518 WeakPolarHBondContact O-CB 3.43Å; I515-E518 PolarHBondContact O-N 2.85Å; I515-E518 VanDerWaalsContact O-N 3.09Å; L516-E518 VanDerWaalsContact C-N 3.29Å; L516-E518 PolarHBondContact O-N 3.44Å; E518-A521 CarbonylContact O-C 3.49Å; E518-A521 WeakPolarHBondContact O-CB 3.43Å; E518-A521 PolarHBondContact O-N 3.49Å; E518-T522 WeakPolarHBondContact O-CG2 3.43Å; E518-T522 PolarHBondContact O-N 3.3Å; E518-T522 PolarHBondContact O-OG1 3.08Å
519	Y	96.8	Very high	95.8	Very high	32 Å²	32	19 Å²	19	13%	0.125	9%	0.09	C	C	.	.	H	α-helix	trans	-63.7	-45.5	175	-76.5	-84.3	0	0	0	111.9	I515 L516 M517 A521 T522 D523 A628 S629 W632 E686	I515-Y519 HydrophobicContact CG2-CE2 4.15Å; I515-Y519 WeakPolarHBondContact O-CD2 3.38Å; I515-Y519 PolarHBondContact O-N 3.36Å; L516-Y519 WeakPolarHBondContact O-CB 3.24Å; L516-Y519 PolarHBondContact O-N 2.92Å; M517-Y519 VanDerWaalsContact C-N 3.29Å; M517-Y519 PolarHBondContact O-N 3.14Å; Y519-A521 VanDerWaalsContact C-N 3.26Å; Y519-A521 PolarHBondContact O-N 2.86Å; Y519-T522 PolarHBondContact O-N 3.02Å; Y519-T522 PolarHBondContact O-OG1 3.29Å; Y519-D523 PolarHBondContact O-N 3.07Å; Y519-A628 HydrophobicContact CE2-CB 4.16Å; Y519-S629 WeakPolarHBondContact OH-CB 3.37Å; Y519-S629 PolarHBondContact OH-OG 2.89Å; Y519-W632 VanDerWaalsContact CB-CE3 3.42Å; Y519-W632 HydrophobicContact CD1-CB 4.06Å; Y519-W632 AromaticContact CD1-CD1 3.52Å; Y519-W632 AromaticContact CD1-CD2 3.92Å; Y519-W632 HydrophobicContact CD1-CD2 3.92Å; Y519-W632 AromaticContact CD1-CG 3.56Å; Y519-W632 HydrophobicContact CD1-CG 3.56Å; Y519-W632 AromaticContact CD1-NE1 3.85Å; Y519-W632 HydrophobicContact CD2-CB 4.34Å; Y519-W632 HydrophobicContact CE1-CB 4.43Å; Y519-W632 AromaticContact CE1-CD1 3.96Å; Y519-W632 HydrophobicContact CE1-CG 4.2Å; Y519-W632 HydrophobicContact CG-CB 4.01Å; Y519-W632 AromaticContact CG-CD2 3.93Å; Y519-W632 HydrophobicContact CG-CD2 3.93Å; Y519-W632 HydrophobicContact CG-CE3 4.26Å; Y519-W632 AromaticContact CG-CG 3.78Å; Y519-W632 HydrophobicContact CG-CG 3.78Å; Y519-E686 PolarHBondContact OH-OE1 3.49Å; Y519-E686 PolarHBondContact OH-OE2 3Å
520	F	97.8	Very high	95.6	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-60.4	-37	173.1	-68.7	-71.8	0	0	0	112	L379 L383 L516 M517 T522 D523 V526 W632 F636 P640	L379-F520 HydrophobicContact CD1-CD1 3.89Å; L379-F520 HydrophobicContact CD1-CE1 4.37Å; L379-F520 HydrophobicContact CD1-CG 4.25Å; L379-F520 HydrophobicContact CD2-CB 3.76Å; L379-F520 HydrophobicContact CD2-CD1 4.43Å; L379-F520 HydrophobicContact CD2-CD2 4.41Å; L379-F520 HydrophobicContact CD2-CG 3.97Å; L383-F520 HydrophobicContact CD1-CE1 4.16Å; L383-F520 HydrophobicContact CD1-CE2 4.12Å; L383-F520 HydrophobicContact CD1-CZ 3.81Å; L516-F520 HydrophobicContact CD1-CE2 4.34Å; L516-F520 HydrophobicContact CD2-CE2 4.22Å; L516-F520 HydrophobicContact CG-CD2 4.4Å; L516-F520 HydrophobicContact CG-CE2 3.83Å; L516-F520 VanDerWaalsContact O-CD2 3.23Å; L516-F520 WeakPolarHBondContact O-CD2 3.39Å; L516-F520 PolarHBondContact O-N 3.21Å; M517-F520 HydrophobicContact CE-CD2 3.41Å; M517-F520 VanDerWaalsContact CE-CD2 3.41Å; M517-F520 HydrophobicContact CE-CE2 3.44Å; M517-F520 VanDerWaalsContact CE-CE2 3.44Å; M517-F520 PolarHBondContact O-N 3.34Å; M517-F520 HydrophobicContact SD-CD2 3.98Å; F520-T522 PolarHBondContact O-N 3.46Å; F520-T522 VanDerWaalsContact O-N 3.16Å; F520-D523 PolarHBondContact O-N 3.43Å; F520-V526 HydrophobicContact CB-CG1 4.49Å; F520-V526 HydrophobicContact CD1-CG2 4.16Å; F520-V526 WeakPolarHBondContact O-CB 3.3Å; F520-V526 WeakPolarHBondContact O-CG1 3.47Å; F520-W632 HydrophobicContact CD1-CH2 4.13Å; F520-W632 AromaticContact CD1-CZ3 3.52Å; F520-W632 HydrophobicContact CD1-CZ3 3.52Å; F520-W632 HydrophobicContact CD2-CZ3 4.3Å; F520-W632 HydrophobicContact CE1-CE3 4.37Å; F520-W632 HydrophobicContact CE1-CH2 4.39Å; F520-W632 AromaticContact CE1-CZ3 3.54Å; F520-W632 HydrophobicContact CE1-CZ3 3.54Å; F520-W632 HydrophobicContact CE2-CZ3 4.39Å; F520-W632 AromaticContact CG-CZ3 3.89Å; F520-W632 HydrophobicContact CG-CZ3 3.89Å; F520-W632 HydrophobicContact CZ-CE3 4.45Å; F520-W632 HydrophobicContact CZ-CZ3 4.02Å; F520-F636 HydrophobicContact CE1-CB 4.18Å; F520-F636 AromaticContact CE1-CD1 3.97Å; F520-F636 HydrophobicContact CE1-CD1 3.97Å; F520-F636 HydrophobicContact CE1-CG 4.08Å; F520-F636 HydrophobicContact CZ-CB 4.17Å; F520-F636 AromaticContact CZ-CD1 3.65Å; F520-F636 HydrophobicContact CZ-CD1 3.65Å; F520-F636 AromaticContact CZ-CD2 4Å; F520-F636 HydrophobicContact CZ-CD2 4Å; F520-F636 AromaticContact CZ-CE1 3.96Å; F520-F636 HydrophobicContact CZ-CE1 3.96Å; F520-F636 HydrophobicContact CZ-CE2 4.28Å; F520-F636 AromaticContact CZ-CG 3.66Å; F520-F636 HydrophobicContact CZ-CG 3.66Å; F520-F636 HydrophobicContact CZ-CZ 4.27Å; F520-P640 HydrophobicContact CD1-CB 4.18Å; F520-P640 HydrophobicContact CE1-CB 4.08Å; F520-P640 WeakPolarHBondContact CE1-O 3.49Å
521	A	95.3	Very high	95.6	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-4.7	176.9	0	0	0	0	0	114.3	M477 F481 M517 E518 Y519 I527	M477-A521 HydrophobicContact CE-CB 4.37Å; M477-A521 WeakPolarHBondContact CE-O 3.42Å; F481-A521 HydrophobicContact CB-CB 3.84Å; F481-A521 HydrophobicContact CD1-CB 3.68Å; F481-A521 HydrophobicContact CD2-CB 4.29Å; F481-A521 HydrophobicContact CE1-CB 4.28Å; F481-A521 HydrophobicContact CG-CB 3.68Å; M517-A521 WeakPolarHBondContact O-CB 3.44Å; M517-A521 PolarHBondContact O-N 3.08Å; E518-A521 CarbonylContact O-C 3.49Å; E518-A521 WeakPolarHBondContact O-CB 3.43Å; E518-A521 PolarHBondContact O-N 3.49Å; Y519-A521 VanDerWaalsContact C-N 3.26Å; Y519-A521 PolarHBondContact O-N 2.86Å; A521-I527 WeakPolarHBondContact O-CD1 3.36Å
522	T	91.8	Very high	95.6	Very high	24 Å²	24	22.1 Å²	22.1	15%	0.147	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.9	-2.1	178.8	57.5	0	0	0	0	113.5	E518 Y519 F520 C549	E518-T522 WeakPolarHBondContact O-CG2 3.43Å; E518-T522 PolarHBondContact O-N 3.3Å; E518-T522 PolarHBondContact O-OG1 3.08Å; Y519-T522 PolarHBondContact O-N 3.02Å; Y519-T522 PolarHBondContact O-OG1 3.29Å; F520-T522 PolarHBondContact O-N 3.46Å; F520-T522 VanDerWaalsContact O-N 3.16Å; T522-C549 PolarHBondContact O-SG 3.17Å
523	D	94.9	Very high	95.4	Very high	20 Å²	20	23.6 Å²	23.6	11%	0.107	11%	0.105	C	C	.	.			trans	-89.2	123.7	177.5	-167.2	-75.5	0	0	0	111.6	Y519 F520 R525 V526 I527 W632	Y519-D523 PolarHBondContact O-N 3.07Å; F520-D523 PolarHBondContact O-N 3.43Å; D523-R525 PolarHBondContact O-N 3.48Å; D523-R525 WeakPolarHBondContact OD1-CB 3.35Å; D523-R525 IonicContact OD1-CZ 2.69Å; D523-R525 PolarHBondContact OD1-N 2.76Å; D523-R525 IonicContact OD1-NE 3.78Å; D523-R525 PolarHBondContact OD1-NE 3.27Å; D523-R525 IonicContact OD1-NH2 3.19Å; D523-R525 IonicContact OD2-CZ 3.2Å; D523-R525 IonicContact OD2-NE 3.79Å; D523-R525 IonicContact OD2-NH2 3.64Å; D523-R525 PolarHBondContact OD2-NH2 3.43Å; D523-V526 HydrophobicContact CB-CB 4.44Å; D523-V526 HydrophobicContact CB-CG2 4.09Å; D523-V526 WeakPolarHBondContact O-CB 3.28Å; D523-V526 PolarHBondContact O-N 3.12Å; D523-I527 WeakPolarHBondContact O-CG1 3.47Å; D523-I527 PolarHBondContact O-N 2.82Å; D523-W632 HydrophobicContact CB-CH2 3.76Å; D523-W632 HydrophobicContact CB-CZ2 3.96Å
524	Y	95.3	Very high	95.1	Very high	70 Å²	70	24.5 Å²	24.5	28%	0.275	11%	0.109	S	C	.	.	H	α-helix	trans	-57.6	-34.8	-178.5	173.9	-112.5	0	0	0	113.1	V526 I527 S528 E542 V545	Y524-V526 PolarHBondContact O-N 3.38Å; Y524-I527 PolarHBondContact O-N 3.36Å; Y524-S528 WeakPolarHBondContact O-CB 3.32Å; Y524-S528 PolarHBondContact O-N 3.05Å; Y524-S528 PolarHBondContact O-OG 3.47Å; Y524-E542 HydrophobicContact CD1-CB 3.96Å; Y524-E542 VanDerWaalsContact CD1-CD 3.46Å; Y524-E542 HydrophobicContact CD1-CG 3.56Å; Y524-E542 HydrophobicContact CD2-CB 3.94Å; Y524-E542 HydrophobicContact CD2-CG 4.1Å; Y524-E542 HydrophobicContact CE1-CB 3.71Å; Y524-E542 HydrophobicContact CE1-CG 3.78Å; Y524-E542 VanDerWaalsContact CE2-CA 3.45Å; Y524-E542 HydrophobicContact CE2-CB 3.7Å; Y524-E542 HydrophobicContact CE2-CG 4.3Å; Y524-E542 HydrophobicContact CG-CB 4.06Å; Y524-E542 HydrophobicContact CG-CG 3.73Å; Y524-V545 HydrophobicContact CD2-CB 4.33Å; Y524-V545 HydrophobicContact CD2-CG2 3.98Å
525	R	95.6	Very high	94.8	Very high	96 Å²	96	30.7 Å²	30.7	36%	0.362	14%	0.138	S	C	.	.	H	α-helix	trans	-67.2	-26	180	-59.4	164.4	-71.1	-172.3	-4.4	112	D523 S528 Q529 V637 Q638 P640	D523-R525 PolarHBondContact O-N 3.48Å; D523-R525 WeakPolarHBondContact OD1-CB 3.35Å; D523-R525 IonicContact OD1-CZ 2.69Å; D523-R525 PolarHBondContact OD1-N 2.76Å; D523-R525 IonicContact OD1-NE 3.78Å; D523-R525 PolarHBondContact OD1-NE 3.27Å; D523-R525 IonicContact OD1-NH2 3.19Å; D523-R525 IonicContact OD2-CZ 3.2Å; D523-R525 IonicContact OD2-NE 3.79Å; D523-R525 IonicContact OD2-NH2 3.64Å; D523-R525 PolarHBondContact OD2-NH2 3.43Å; R525-S528 PolarHBondContact O-OG 3.36Å; R525-Q529 WeakPolarHBondContact O-CG 3.31Å; R525-V637 PolarHBondContact NH1-O 3.02Å; R525-V637 PolarHBondContact NH2-O 3.1Å; R525-Q638 PolarHBondContact NH1-O 3.05Å; R525-P640 HydrophobicContact CB-CG 4.1Å
526	V	96.3	Very high	94.5	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.006	16%	0.162	C	C	.	.	H	α-helix	trans	-84.3	-51.7	173.4	-179.1	0	0	0	0	110.2	L379 F520 D523 Y524 S528 Q529 F530 P640 L641	L379-V526 HydrophobicContact CD1-CG1 4.35Å; F520-V526 HydrophobicContact CB-CG1 4.49Å; F520-V526 HydrophobicContact CD1-CG2 4.16Å; F520-V526 WeakPolarHBondContact O-CB 3.3Å; F520-V526 WeakPolarHBondContact O-CG1 3.47Å; D523-V526 HydrophobicContact CB-CB 4.44Å; D523-V526 HydrophobicContact CB-CG2 4.09Å; D523-V526 WeakPolarHBondContact O-CB 3.28Å; D523-V526 PolarHBondContact O-N 3.12Å; Y524-V526 PolarHBondContact O-N 3.38Å; V526-S528 VanDerWaalsContact C-N 3.34Å; V526-S528 PolarHBondContact O-N 3.12Å; V526-Q529 WeakPolarHBondContact O-CB 3.36Å; V526-Q529 WeakPolarHBondContact O-CG 3.47Å; V526-Q529 PolarHBondContact O-N 3.48Å; V526-Q529 VanDerWaalsContact O-N 3.15Å; V526-F530 WeakPolarHBondContact O-CD1 3.2Å; V526-P640 HydrophobicContact CG2-CB 3.9Å; V526-P640 HydrophobicContact CG2-CG 4.05Å; V526-L641 HydrophobicContact CG2-CD2 4.24Å
527	I	95	Very high	94.1	Very high	4 Å²	4	35.4 Å²	35.4	2%	0.021	17%	0.17	C	C	.	.	H	α-helix	trans	-60.3	-42.6	-176.4	-64.7	174.5	0	0	0	111.7	M477 A521 D523 Y524 Q529 F530 A531 L540 V545	M477-I527 HydrophobicContact CE-CD1 4.47Å; A521-I527 WeakPolarHBondContact O-CD1 3.36Å; D523-I527 WeakPolarHBondContact O-CG1 3.47Å; D523-I527 PolarHBondContact O-N 2.82Å; Y524-I527 PolarHBondContact O-N 3.36Å; I527-Q529 PolarHBondContact O-N 3.47Å; I527-F530 PolarHBondContact O-N 3.03Å; I527-F530 VanDerWaalsContact O-N 3.08Å; I527-A531 HydrophobicContact CG2-CB 3.44Å; I527-A531 VanDerWaalsContact CG2-CB 3.44Å; I527-A531 VanDerWaalsContact O-CB 3.29Å; I527-A531 WeakPolarHBondContact O-CB 3.29Å; I527-A531 PolarHBondContact O-N 3.32Å; I527-L540 HydrophobicContact CG2-CD2 3.91Å; I527-V545 HydrophobicContact CD1-CG1 3.75Å; I527-V545 HydrophobicContact CD1-CG2 4.14Å; I527-V545 HydrophobicContact CG2-CG2 4.19Å
528	S	93.8	Very high	93.8	Very high	32 Å²	32	40.8 Å²	40.8	22%	0.224	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-17.6	-179.6	59.8	0	0	0	0	114	Y524 R525 V526 F530	Y524-S528 WeakPolarHBondContact O-CB 3.32Å; Y524-S528 PolarHBondContact O-N 3.05Å; Y524-S528 PolarHBondContact O-OG 3.47Å; R525-S528 PolarHBondContact O-OG 3.36Å; V526-S528 VanDerWaalsContact C-N 3.34Å; V526-S528 PolarHBondContact O-N 3.12Å; S528-F530 VanDerWaalsContact C-N 3.31Å; S528-F530 PolarHBondContact O-N 3.06Å
529	Q	92.4	Very high	93.7	Very high	60 Å²	60	42 Å²	42	28%	0.28	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-30.9	175.7	-58.8	-161.8	-23.1	0	0	112.6	R525 V526 I527	R525-Q529 WeakPolarHBondContact O-CG 3.31Å; V526-Q529 WeakPolarHBondContact O-CB 3.36Å; V526-Q529 WeakPolarHBondContact O-CG 3.47Å; V526-Q529 PolarHBondContact O-N 3.48Å; V526-Q529 VanDerWaalsContact O-N 3.15Å; I527-Q529 PolarHBondContact O-N 3.47Å
530	F	92.8	Very high	93.5	Very high	6 Å²	6	40.6 Å²	40.6	3%	0.026	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.7	-29.8	-170.2	70.2	-94.3	0	0	0	114.6	L367 A371 C372 G375 M477 F481 V526 I527 S528 R532	L367-F530 HydrophobicContact CD2-CE2 4.43Å; A371-F530 HydrophobicContact CB-CD2 4.45Å; A371-F530 WeakPolarHBondContact O-CB 3.38Å; A371-F530 VanDerWaalsContact O-CD2 3.27Å; A371-F530 WeakPolarHBondContact O-CD2 3.39Å; C372-F530 HydrophobicContact CB-CE2 4.41Å; G375-F530 VanDerWaalsContact CA-CG 3.48Å; M477-F530 HydrophobicContact SD-CE2 4.02Å; M477-F530 HydrophobicContact SD-CZ 3.91Å; F481-F530 HydrophobicContact CE2-CZ 4.21Å; F481-F530 AromaticContact CZ-CE1 3.96Å; F481-F530 HydrophobicContact CZ-CE1 3.96Å; F481-F530 AromaticContact CZ-CZ 3.82Å; F481-F530 HydrophobicContact CZ-CZ 3.82Å; V526-F530 WeakPolarHBondContact O-CD1 3.2Å; I527-F530 PolarHBondContact O-N 3.03Å; I527-F530 VanDerWaalsContact O-N 3.08Å; S528-F530 VanDerWaalsContact C-N 3.31Å; S528-F530 PolarHBondContact O-N 3.06Å; F530-R532 PolarHBondContact O-N 3.32Å
531	A	94.1	Very high	93.3	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.215	C	C	.	.			trans	-71.6	104.3	-175.4	0	0	0	0	0	110.8	Y366 L367 I527 P539 L540	Y366-A531 CarbonylContact O-C 3.59Å; Y366-A531 WeakPolarHBondContact O-CA 3.45Å; L367-A531 HydrophobicContact CD2-CB 3.9Å; I527-A531 HydrophobicContact CG2-CB 3.44Å; I527-A531 VanDerWaalsContact CG2-CB 3.44Å; I527-A531 VanDerWaalsContact O-CB 3.29Å; I527-A531 WeakPolarHBondContact O-CB 3.29Å; I527-A531 PolarHBondContact O-N 3.32Å; A531-P539 WeakPolarHBondContact O-CA 3.29Å; A531-L540 HydrophobicContact CB-CB 3.89Å; A531-L540 HydrophobicContact CB-CD2 4.34Å; A531-L540 PolarHBondContact O-N 3.49Å
532	R	92.9	Very high	93.2	Very high	82 Å²	82	47.4 Å²	47.4	31%	0.309	24%	0.236	S	C	.	.	B	Isolated β-bridge	trans	-137.8	138.7	-177.7	-64.7	-177.7	-173.2	-77.9	-8.1	109.7	Y366 F530 F534 Q538	Y366-R532 CarbonylContact C-O 3.3Å; Y366-R532 WeakPolarHBondContact CA-O 3.26Å; Y366-R532 PolarHBondContact O-N 3.38Å; Y366-R532 VanDerWaalsContact O-N 3.11Å; F530-R532 PolarHBondContact O-N 3.32Å; R532-F534 PolarHBondContact O-N 2.95Å; R532-Q538 CarbonylContact C-O 3.53Å; R532-Q538 VanDerWaalsContact CA-O 3.28Å; R532-Q538 WeakPolarHBondContact CA-O 3.23Å
533	H	94.4	Very high	93.2	Very high	32 Å²	32	49.1 Å²	49.1	15%	0.148	25%	0.245	C	C	.	.			trans	-58	124.7	178.4	-171.5	-67.5	0	0	0	110.2	P365 Y366 E535 T536 G537 Q538	P365-H533 CarbonylContact O-C 3.54Å; P365-H533 WeakPolarHBondContact O-CA 3.32Å; Y366-H533 HydrophobicContact CD1-CB 3.89Å; Y366-H533 VanDerWaalsContact CD1-N 3.33Å; Y366-H533 HydrophobicContact CE1-CB 3.73Å; H533-E535 PolarHBondContact ND1-N 3.05Å; H533-E535 VanDerWaalsContact ND1-N 3.16Å; H533-E535 PolarHBondContact O-N 3.49Å; H533-E535 VanDerWaalsContact O-N 3.11Å; H533-T536 VanDerWaalsContact CB-OG1 3.24Å; H533-T536 WeakPolarHBondContact CB-OG1 3.39Å; H533-T536 PolarHBondContact ND1-N 3.47Å; H533-T536 PolarHBondContact O-N 2.9Å; H533-G537 WeakPolarHBondContact O-CA 3.47Å; H533-G537 PolarHBondContact O-N 2.86Å; H533-Q538 PolarHBondContact N-O 3.24Å
534	F	90.8	Very high	93	Very high	21 Å²	21	49 Å²	49	9%	0.092	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-30.8	-169.4	78.2	-80.5	0	0	0	114	P365 A468 P469 L471 R532	P365-F534 HydrophobicContact CB-CD1 4.06Å; P365-F534 HydrophobicContact CB-CE1 4.18Å; P365-F534 WeakPolarHBondContact O-CD1 3.45Å; P365-F534 PolarHBondContact O-N 2.87Å; A468-F534 HydrophobicContact CB-CE2 3.95Å; A468-F534 HydrophobicContact CB-CZ 4.09Å; P469-F534 HydrophobicContact CG-CB 4.2Å; P469-F534 HydrophobicContact CG-CD2 4.24Å; P469-F534 HydrophobicContact CG-CG 4.39Å; L471-F534 HydrophobicContact CD1-CD1 4.15Å; L471-F534 HydrophobicContact CD1-CE1 3.94Å; L471-F534 HydrophobicContact CD2-CB 4.3Å; L471-F534 HydrophobicContact CD2-CD1 3.94Å; L471-F534 HydrophobicContact CD2-CG 4.13Å; R532-F534 PolarHBondContact O-N 2.95Å
535	E	89.7	Confident	92.8	Very high	129 Å²	129	45.9 Å²	45.9	60%	0.603	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-46.6	176.1	-53.3	-174.1	148.3	0	0	114.6	H533	H533-E535 PolarHBondContact ND1-N 3.05Å; H533-E535 VanDerWaalsContact ND1-N 3.16Å; H533-E535 PolarHBondContact O-N 3.49Å; H533-E535 VanDerWaalsContact O-N 3.11Å
536	T	91.8	Very high	92.6	Very high	84 Å²	84	42.4 Å²	42.4	52%	0.515	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-17.7	-170	69.2	0	0	0	0	113.2	H533 Q538	H533-T536 VanDerWaalsContact CB-OG1 3.24Å; H533-T536 WeakPolarHBondContact CB-OG1 3.39Å; H533-T536 PolarHBondContact ND1-N 3.47Å; H533-T536 PolarHBondContact O-N 2.9Å; T536-Q538 PolarHBondContact O-N 3.5Å; T536-Q538 PolarHBondContact OG1-N 3.34Å
537	G	89.8	Confident	92.3	Very high	17 Å²	17	44.3 Å²	44.3	18%	0.175	23%	0.23	C	C	.	.			trans	72.7	0.3	-176.3	0	0	0	0	0	115.1	H533	H533-G537 WeakPolarHBondContact O-CA 3.47Å; H533-G537 PolarHBondContact O-N 2.86Å
538	Q	92.4	Very high	91.9	Very high	118 Å²	118	45 Å²	45	55%	0.551	23%	0.234	S	C	*	.	P	Polyproline II helix	trans	-65.9	139.4	-179.9	-66.4	-60.6	-28	0	0	111	Y366 R532 H533 T536	Y366-Q538 WeakPolarHBondContact CE1-O 3.25Å; R532-Q538 CarbonylContact C-O 3.53Å; R532-Q538 VanDerWaalsContact CA-O 3.28Å; R532-Q538 WeakPolarHBondContact CA-O 3.23Å; H533-Q538 PolarHBondContact N-O 3.24Å; T536-Q538 PolarHBondContact O-N 3.5Å; T536-Q538 PolarHBondContact OG1-N 3.34Å
539	P	93.5	Very high	91.7	Very high	53 Å²	53	45.1 Å²	45.1	34%	0.344	24%	0.235	S	C	.	.	B	Isolated β-bridge	trans	-68	153.2	178.6	30.6	-34.8	0	0	0	111.2	Y366 A531 P541	Y366-P539 WeakPolarHBondContact CE1-O 3.34Å; A531-P539 WeakPolarHBondContact O-CA 3.29Å; P539-P541 WeakPolarHBondContact O-CD 3.25Å
540	L	93.5	Very high	91.5	Very high	4 Å²	4	42.8 Å²	42.8	2%	0.021	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-64.4	123.8	170.1	-177.6	67.1	0	0	0	109.4	Y363 Y366 I527 A531 M544 V545	Y363-L540 HydrophobicContact CD1-CD1 4.32Å; Y366-L540 HydrophobicContact CD1-CB 3.88Å; Y366-L540 HydrophobicContact CD1-CD1 4.15Å; Y366-L540 HydrophobicContact CD2-CD1 3.67Å; Y366-L540 HydrophobicContact CE2-CD1 4.09Å; Y366-L540 HydrophobicContact CG-CB 4.06Å; Y366-L540 HydrophobicContact CG-CD1 3.71Å; Y366-L540 HydrophobicContact CG-CG 4.46Å; I527-L540 HydrophobicContact CG2-CD2 3.91Å; A531-L540 HydrophobicContact CB-CB 3.89Å; A531-L540 HydrophobicContact CB-CD2 4.34Å; A531-L540 PolarHBondContact O-N 3.49Å; L540-M544 HydrophobicContact CD1-CB 3.98Å; L540-M544 HydrophobicContact CD1-CE 3.92Å; L540-M544 HydrophobicContact CD1-CG 4.47Å; L540-M544 HydrophobicContact CD1-SD 3.76Å; L540-M544 HydrophobicContact CG-CB 4.38Å; L540-V545 HydrophobicContact CD2-CG2 3.55Å; L540-V545 HydrophobicContact CG-CG2 4.1Å
541	P	93.8	Very high	91.3	Very high	48 Å²	48	42.7 Å²	42.7	31%	0.312	22%	0.223	S	C	.	.	P	Polyproline II helix	trans	-61.4	144.7	179	-27.2	36.9	0	0	0	113.8	P539 N543 M544 V545	P539-P541 WeakPolarHBondContact O-CD 3.25Å; P541-N543 WeakPolarHBondContact CB-OD1 3.26Å; P541-N543 PolarHBondContact O-N 3.12Å; P541-M544 HydrophobicContact CB-CG 4.17Å; P541-M544 HydrophobicContact CG-CG 4.36Å; P541-M544 HydrophobicContact CG-SD 4.11Å; P541-M544 WeakPolarHBondContact O-CB 3.49Å; P541-M544 PolarHBondContact O-N 3.45Å; P541-M544 VanDerWaalsContact O-N 3.09Å; P541-V545 PolarHBondContact O-N 3.43Å
542	E	93.3	Very high	91	Very high	94 Å²	94	46.3 Å²	46.3	44%	0.439	24%	0.239	S	C	.	.	H	α-helix	trans	-58.3	-43.9	179.9	-175.1	164.7	-163.9	0	0	112.9	Y524 M544 V545 A546	Y524-E542 HydrophobicContact CD1-CB 3.96Å; Y524-E542 VanDerWaalsContact CD1-CD 3.46Å; Y524-E542 HydrophobicContact CD1-CG 3.56Å; Y524-E542 HydrophobicContact CD2-CB 3.94Å; Y524-E542 HydrophobicContact CD2-CG 4.1Å; Y524-E542 HydrophobicContact CE1-CB 3.71Å; Y524-E542 HydrophobicContact CE1-CG 3.78Å; Y524-E542 VanDerWaalsContact CE2-CA 3.45Å; Y524-E542 HydrophobicContact CE2-CB 3.7Å; Y524-E542 HydrophobicContact CE2-CG 4.3Å; Y524-E542 HydrophobicContact CG-CB 4.06Å; Y524-E542 HydrophobicContact CG-CG 3.73Å; E542-M544 PolarHBondContact O-N 3.06Å; E542-V545 PolarHBondContact O-N 2.96Å; E542-A546 PolarHBondContact O-N 3.25Å
543	N	91	Very high	90.8	Very high	61 Å²	61	45.1 Å²	45.1	33%	0.326	24%	0.236	S	C	.	.	H	α-helix	trans	-60.8	-30.8	177.8	70.9	-27.5	0	0	0	112.5	P541 R547	P541-N543 WeakPolarHBondContact CB-OD1 3.26Å; P541-N543 PolarHBondContact O-N 3.12Å; N543-R547 WeakPolarHBondContact O-CB 3.43Å; N543-R547 WeakPolarHBondContact O-CG 3.4Å; N543-R547 PolarHBondContact O-N 3.03Å; N543-R547 PolarHBondContact O-NE 3.43Å
544	M	91.3	Very high	90.7	Very high	18 Å²	18	44 Å²	44	9%	0.089	23%	0.232	C	C	.	.	H	α-helix	trans	-66.5	-42.9	174.3	-69.9	-170.5	66.2	0	0	111.4	L362 Y363 L540 P541 E542 L548	L362-M544 HydrophobicContact CB-CE 3.93Å; Y363-M544 HydrophobicContact CD1-CE 3.93Å; Y363-M544 HydrophobicContact CD2-CE 3.98Å; Y363-M544 HydrophobicContact CE1-CB 3.78Å; Y363-M544 HydrophobicContact CE1-CE 3.87Å; Y363-M544 VanDerWaalsContact CE1-O 3.24Å; Y363-M544 WeakPolarHBondContact CE1-O 3.45Å; Y363-M544 HydrophobicContact CE2-CE 3.86Å; Y363-M544 HydrophobicContact CG-CE 4Å; Y363-M544 PolarHBondContact OH-O 3.38Å; L540-M544 HydrophobicContact CD1-CB 3.98Å; L540-M544 HydrophobicContact CD1-CE 3.92Å; L540-M544 HydrophobicContact CD1-CG 4.47Å; L540-M544 HydrophobicContact CD1-SD 3.76Å; L540-M544 HydrophobicContact CG-CB 4.38Å; P541-M544 HydrophobicContact CB-CG 4.17Å; P541-M544 HydrophobicContact CG-CG 4.36Å; P541-M544 HydrophobicContact CG-SD 4.11Å; P541-M544 WeakPolarHBondContact O-CB 3.49Å; P541-M544 PolarHBondContact O-N 3.45Å; P541-M544 VanDerWaalsContact O-N 3.09Å; E542-M544 PolarHBondContact O-N 3.06Å; M544-L548 PolarHBondContact O-N 2.9Å; M544-L548 VanDerWaalsContact O-N 3.15Å
545	V	91.3	Very high	90.8	Very high	4 Å²	4	43 Å²	43	2%	0.024	23%	0.227	C	C	.	.	H	α-helix	trans	-65.4	-46.6	176.3	178.4	0	0	0	0	110.4	Y524 I527 L540 P541 E542 R547 L548 C549	Y524-V545 HydrophobicContact CD2-CB 4.33Å; Y524-V545 HydrophobicContact CD2-CG2 3.98Å; I527-V545 HydrophobicContact CD1-CG1 3.75Å; I527-V545 HydrophobicContact CD1-CG2 4.14Å; I527-V545 HydrophobicContact CG2-CG2 4.19Å; L540-V545 HydrophobicContact CD2-CG2 3.55Å; L540-V545 HydrophobicContact CG-CG2 4.1Å; P541-V545 PolarHBondContact O-N 3.43Å; E542-V545 PolarHBondContact O-N 2.96Å; V545-R547 VanDerWaalsContact C-N 3.33Å; V545-R547 PolarHBondContact O-N 3.1Å; V545-L548 WeakPolarHBondContact O-CB 3.42Å; V545-L548 PolarHBondContact O-N 2.75Å; V545-C549 PolarHBondContact O-N 3.37Å; V545-C549 PolarHBondContact O-SG 3.27Å; V545-C549 VanDerWaalsContact O-SG 3.35Å
546	A	90.4	Very high	91.1	Very high	22 Å²	22	37.1 Å²	37.1	18%	0.182	20%	0.201	C	C	.	.	H	α-helix	trans	-60.8	-41.7	-179.6	0	0	0	0	0	112	E542 L548 C549 E550 T693	E542-A546 PolarHBondContact O-N 3.25Å; A546-L548 VanDerWaalsContact C-N 3.35Å; A546-L548 PolarHBondContact O-N 2.87Å; A546-C549 PolarHBondContact O-N 3.39Å; A546-E550 PolarHBondContact O-N 3.09Å; A546-T693 HydrophobicContact CB-CG2 3.48Å; A546-T693 VanDerWaalsContact CB-CG2 3.48Å
547	R	90.1	Very high	91.3	Very high	41 Å²	41	33.2 Å²	33.2	16%	0.155	18%	0.178	C	C	.	.	H	α-helix	trans	-60.5	-39.9	172.5	-75	-174	-53.8	161.3	6.1	112.9	Y356 N543 V545 S551	Y356-R547 HydrophobicContact CD1-CB 4.33Å; Y356-R547 HydrophobicContact CD1-CG 4.16Å; Y356-R547 WeakPolarHBondContact O-CD 3.2Å; Y356-R547 PolarHBondContact O-NH1 3.19Å; N543-R547 WeakPolarHBondContact O-CB 3.43Å; N543-R547 WeakPolarHBondContact O-CG 3.4Å; N543-R547 PolarHBondContact O-N 3.03Å; N543-R547 PolarHBondContact O-NE 3.43Å; V545-R547 VanDerWaalsContact C-N 3.33Å; V545-R547 PolarHBondContact O-N 3.1Å; R547-S551 VanDerWaalsContact O-CB 3.25Å; R547-S551 WeakPolarHBondContact O-CB 3.07Å; R547-S551 PolarHBondContact O-N 3.49Å
548	L	87.3	Confident	91.7	Very high	20 Å²	20	32.4 Å²	32.4	11%	0.105	17%	0.169	C	C	.	.	H	α-helix	trans	-62.4	-46.2	175	-179.6	68.3	0	0	0	110.8	Y363 P474 M544 V545 A546 S551 K552	Y363-L548 HydrophobicContact CE1-CB 4.29Å; P474-L548 HydrophobicContact CB-CD1 3.97Å; P474-L548 HydrophobicContact CB-CD2 3.69Å; P474-L548 HydrophobicContact CG-CD1 4.31Å; P474-L548 HydrophobicContact CG-CD2 4.28Å; M544-L548 PolarHBondContact O-N 2.9Å; M544-L548 VanDerWaalsContact O-N 3.15Å; V545-L548 WeakPolarHBondContact O-CB 3.42Å; V545-L548 PolarHBondContact O-N 2.75Å; A546-L548 VanDerWaalsContact C-N 3.35Å; A546-L548 PolarHBondContact O-N 2.87Å; L548-S551 PolarHBondContact O-N 3.19Å; L548-S551 PolarHBondContact O-OG 3.4Å; L548-K552 PolarHBondContact O-N 3.06Å
549	C	88.8	Confident	91.8	Very high	34 Å²	34	29 Å²	29	23%	0.23	16%	0.155	C	C	.	.	H	α-helix	trans	-62.8	-47.1	179	-63.8	0	0	0	0	112.5	T522 V545 A546 S551 K552	T522-C549 PolarHBondContact O-SG 3.17Å; V545-C549 PolarHBondContact O-N 3.37Å; V545-C549 PolarHBondContact O-SG 3.27Å; V545-C549 VanDerWaalsContact O-SG 3.35Å; A546-C549 PolarHBondContact O-N 3.39Å; C549-S551 VanDerWaalsContact C-N 3.3Å; C549-S551 PolarHBondContact O-N 3.41Å; C549-K552 PolarHBondContact O-N 3.19Å
550	E	89.1	Confident	92	Very high	11 Å²	11	27.6 Å²	27.6	5%	0.051	15%	0.145	C	C	.	.	H	α-helix	trans	-69	-29	178.2	-67.4	-55.2	115.6	0	0	112.5	Y356 A546 K552 K553 N690 T693	Y356-E550 HydrophobicContact CD1-CB 4.48Å; Y356-E550 HydrophobicContact CE1-CB 3.8Å; Y356-E550 HydrophobicContact CE2-CB 4.11Å; A546-E550 PolarHBondContact O-N 3.09Å; E550-K552 VanDerWaalsContact C-N 3.29Å; E550-K552 PolarHBondContact O-N 2.66Å; E550-K553 WeakPolarHBondContact O-CB 3.37Å; E550-K553 PolarHBondContact O-N 2.93Å; E550-K553 VanDerWaalsContact O-N 3.16Å; E550-K553 WeakPolarHBondContact OE1-CE 3.46Å; E550-K553 IonicContact OE1-NZ 2.66Å; E550-K553 PolarHBondContact OE1-NZ 3.42Å; E550-K553 IonicContact OE2-NZ 3.76Å; E550-K553 PolarHBondContact OE2-NZ 3.05Å; E550-N690 VanDerWaalsContact OE1-CB 3.25Å; E550-N690 WeakPolarHBondContact OE1-CB 3.42Å; E550-N690 PolarHBondContact OE2-N 2.99Å; E550-T693 HydrophobicContact CG-CG2 3.75Å
551	S	89.1	Confident	92.2	Very high	3 Å²	3	27.6 Å²	27.6	2%	0.021	15%	0.145	C	C	.	.	H	α-helix	trans	-61.7	-36	175.8	79.7	0	0	0	0	112.7	R352 R547 L548 C549 K553 V554	R352-S551 VanDerWaalsContact CG-O 3.31Å; R352-S551 WeakPolarHBondContact CG-O 3.38Å; R352-S551 PolarHBondContact NE-O 2.77Å; R547-S551 VanDerWaalsContact O-CB 3.25Å; R547-S551 WeakPolarHBondContact O-CB 3.07Å; R547-S551 PolarHBondContact O-N 3.49Å; L548-S551 PolarHBondContact O-N 3.19Å; L548-S551 PolarHBondContact O-OG 3.4Å; C549-S551 VanDerWaalsContact C-N 3.3Å; C549-S551 PolarHBondContact O-N 3.41Å; S551-K553 PolarHBondContact O-N 3.22Å; S551-V554 WeakPolarHBondContact O-CB 3.42Å; S551-V554 PolarHBondContact O-N 3.11Å
552	K	86.1	Confident	92.4	Very high	77 Å²	77	26.3 Å²	26.3	34%	0.335	14%	0.135	S	C	.	.	H	α-helix	trans	-62.2	-26.7	177.9	-66.7	-172	-179.3	-169.7	0	113	E478 L548 C549 E550 V554	E478-K552 IonicContact OE1-NZ 3.28Å; E478-K552 PolarHBondContact OE1-NZ 2.83Å; E478-K552 WeakPolarHBondContact OE2-CE 3.44Å; E478-K552 IonicContact OE2-NZ 3.57Å; E478-K552 PolarHBondContact OE2-NZ 3.31Å; L548-K552 PolarHBondContact O-N 3.06Å; C549-K552 PolarHBondContact O-N 3.19Å; E550-K552 VanDerWaalsContact C-N 3.29Å; E550-K552 PolarHBondContact O-N 2.66Å; K552-V554 VanDerWaalsContact C-N 3.33Å
553	K	90.5	Very high	92.6	Very high	57 Å²	57	24.2 Å²	24.2	25%	0.248	13%	0.126	C	C	.	.	H	α-helix	trans	-77.5	-21.6	179.1	-56.8	176.2	-178.1	176	0	112.2	E550 S551 C555 G556 E686 N688	E550-K553 WeakPolarHBondContact O-CB 3.37Å; E550-K553 PolarHBondContact O-N 2.93Å; E550-K553 VanDerWaalsContact O-N 3.16Å; E550-K553 WeakPolarHBondContact OE1-CE 3.46Å; E550-K553 IonicContact OE1-NZ 2.66Å; E550-K553 PolarHBondContact OE1-NZ 3.42Å; E550-K553 IonicContact OE2-NZ 3.76Å; E550-K553 PolarHBondContact OE2-NZ 3.05Å; S551-K553 PolarHBondContact O-N 3.22Å; K553-C555 PolarHBondContact O-N 3.23Å; K553-G556 PolarHBondContact O-N 2.89Å; K553-G556 VanDerWaalsContact O-N 3.11Å; K553-E686 WeakPolarHBondContact CE-O 3.22Å; K553-N688 WeakPolarHBondContact CD-O 3.39Å; K553-N688 WeakPolarHBondContact CE-O 3.44Å; K553-N688 PolarHBondContact NZ-O 3.39Å
554	V	91	Very high	92.9	Very high	8 Å²	8	21.3 Å²	21.3	5%	0.048	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	125.1	174.4	-175.9	0	0	0	0	108.9	L351 R352 Y356 S551 K552 G556	L351-V554 HydrophobicContact CB-CG1 3.88Å; R352-V554 HydrophobicContact CG-CB 3.87Å; R352-V554 HydrophobicContact CG-CG1 4.26Å; R352-V554 PolarHBondContact NE-O 3.21Å; R352-V554 PolarHBondContact NH2-O 3.48Å; Y356-V554 HydrophobicContact CD2-CG2 4.02Å; Y356-V554 HydrophobicContact CE2-CG2 3.49Å; Y356-V554 VanDerWaalsContact CE2-CG2 3.49Å; S551-V554 WeakPolarHBondContact O-CB 3.42Å; S551-V554 PolarHBondContact O-N 3.11Å; K552-V554 VanDerWaalsContact C-N 3.33Å; V554-G556 PolarHBondContact O-N 3.49Å
555	C	94.1	Very high	93.3	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.9	13	-174.1	-59.5	0	0	0	0	114.5	D321 M325 L351 K553 A557 A558 D559	D321-C555 VanDerWaalsContact OD2-CA 3.26Å; D321-C555 WeakPolarHBondContact OD2-CA 3.37Å; M325-C555 HydrophobicContact CE-CB 3.68Å; M325-C555 VanDerWaalsContact CE-SG 3.57Å; L351-C555 VanDerWaalsContact CD1-SG 3.54Å; K553-C555 PolarHBondContact O-N 3.23Å; C555-A557 VanDerWaalsContact C-N 3.28Å; C555-A557 PolarHBondContact O-N 3.44Å; C555-A558 PolarHBondContact O-N 2.93Å; C555-D559 PolarHBondContact O-N 2.8Å
556	G	94.6	Very high	93.6	Very high	5 Å²	5	22.1 Å²	22.1	5%	0.052	11%	0.112	C	C	.	.	H	α-helix	trans	-66.6	-26.1	-173.8	0	0	0	0	0	113.8	D321 K553 V554 T560	D321-G556 PolarHBondContact OD2-N 3.15Å; K553-G556 PolarHBondContact O-N 2.89Å; K553-G556 VanDerWaalsContact O-N 3.11Å; V554-G556 PolarHBondContact O-N 3.49Å; G556-T560 WeakPolarHBondContact O-CB 3.36Å; G556-T560 PolarHBondContact O-N 3.41Å; G556-T560 PolarHBondContact O-OG1 2.66Å
557	A	96.8	Very high	94	Very high	3 Å²	3	21 Å²	21	3%	0.025	10%	0.103	C	C	.	.	H	α-helix	trans	-73.3	-41.2	174.7	0	0	0	0	0	110.9	L314 R317 T318 D321 C555 T560 Q561 L687	L314-A557 HydrophobicContact CD2-CB 4.29Å; R317-A557 HydrophobicContact CB-CB 3.52Å; T318-A557 PolarHBondContact OG1-O 3.06Å; D321-A557 WeakPolarHBondContact OD2-CA 3.29Å; D321-A557 VanDerWaalsContact OD2-CB 3.27Å; D321-A557 WeakPolarHBondContact OD2-CB 3.33Å; D321-A557 PolarHBondContact OD2-N 3Å; C555-A557 VanDerWaalsContact C-N 3.28Å; C555-A557 PolarHBondContact O-N 3.44Å; A557-T560 PolarHBondContact O-N 2.92Å; A557-Q561 VanDerWaalsContact O-CB 3.25Å; A557-Q561 WeakPolarHBondContact O-CB 3.36Å; A557-Q561 PolarHBondContact O-N 3.33Å; A557-L687 HydrophobicContact CB-CD1 3.95Å
558	A	97	Very high	94.4	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-63.4	-40.8	173.4	0	0	0	0	0	112.7	D321 F322 M325 C555 Q561 L562	D321-A558 HydrophobicContact CB-CB 3.71Å; D321-A558 PolarHBondContact OD2-N 3.37Å; D321-A558 VanDerWaalsContact OD2-N 3.08Å; F322-A558 HydrophobicContact CD1-CB 4.2Å; F322-A558 HydrophobicContact CE1-CB 3.77Å; F322-A558 HydrophobicContact CZ-CB 4Å; M325-A558 HydrophobicContact CE-CB 3.64Å; C555-A558 PolarHBondContact O-N 2.93Å; A558-Q561 PolarHBondContact O-N 3.23Å; A558-L562 PolarHBondContact O-N 2.93Å
559	D	96	Very high	94.9	Very high	45 Å²	45	18.1 Å²	18.1	24%	0.241	9%	0.091	C	C	.	.	H	α-helix	trans	-64.7	-43.6	175	-73.4	-15.4	0	0	0	111.8	H344 R352 C555 Q561 L562 Q563	H344-D559 IonicContact CE1-OD1 2.67Å; H344-D559 IonicContact NE2-OD1 2.79Å; H344-D559 PolarHBondContact NE2-OD1 3.48Å; R352-D559 IonicContact CZ-OD2 3.26Å; R352-D559 IonicContact NH1-OD2 3.3Å; R352-D559 IonicContact NH2-OD2 3.78Å; R352-D559 PolarHBondContact NH2-OD2 2.93Å; C555-D559 PolarHBondContact O-N 2.8Å; D559-Q561 VanDerWaalsContact C-N 3.32Å; D559-Q561 PolarHBondContact O-N 2.98Å; D559-L562 WeakPolarHBondContact O-CB 3.42Å; D559-L562 PolarHBondContact O-N 3.35Å; D559-Q563 PolarHBondContact O-N 2.88Å
560	T	97.1	Very high	95.4	Very high	24 Å²	24	16.5 Å²	16.5	15%	0.147	8%	0.08	C	C	.	.	H	α-helix	trans	-64.2	-40.3	176.3	-57.5	0	0	0	0	111	L310 L314 G556 A557 L562 Q563 V564 L622	L310-T560 HydrophobicContact CD2-CG2 4.1Å; L314-T560 HydrophobicContact CD1-CG2 3.59Å; G556-T560 WeakPolarHBondContact O-CB 3.36Å; G556-T560 PolarHBondContact O-N 3.41Å; G556-T560 PolarHBondContact O-OG1 2.66Å; A557-T560 PolarHBondContact O-N 2.92Å; T560-L562 VanDerWaalsContact C-N 3.29Å; T560-L562 PolarHBondContact O-N 3.43Å; T560-Q563 WeakPolarHBondContact O-CB 3.39Å; T560-Q563 PolarHBondContact O-N 3.42Å; T560-Q563 VanDerWaalsContact O-N 3.14Å; T560-V564 WeakPolarHBondContact O-CG2 3.22Å; T560-V564 PolarHBondContact O-N 3.42Å; T560-L622 HydrophobicContact CG2-CD2 4.07Å
561	Q	97.7	Very high	95.9	Very high	5 Å²	5	16.3 Å²	16.3	2%	0.023	8%	0.079	C	C	.	.	H	α-helix	trans	-63.6	-35.3	177.2	-168.5	67.3	49	0	0	112.2	T311 T318 A557 A558 D559 V564 F565 F593	T311-Q561 PolarHBondContact OG1-NE2 2.99Å; T318-Q561 HydrophobicContact CG2-CB 4.01Å; T318-Q561 HydrophobicContact CG2-CG 4.03Å; A557-Q561 VanDerWaalsContact O-CB 3.25Å; A557-Q561 WeakPolarHBondContact O-CB 3.36Å; A557-Q561 PolarHBondContact O-N 3.33Å; A558-Q561 PolarHBondContact O-N 3.23Å; D559-Q561 VanDerWaalsContact C-N 3.32Å; D559-Q561 PolarHBondContact O-N 2.98Å; Q561-V564 WeakPolarHBondContact O-CB 3.26Å; Q561-V564 PolarHBondContact O-N 3.05Å; Q561-F565 PolarHBondContact O-N 2.56Å; Q561-F593 WeakPolarHBondContact CG-O 3.25Å; Q561-F593 PolarHBondContact NE2-O 3.15Å
562	L	97.3	Very high	96.3	Very high	20 Å²	20	18.3 Å²	18.3	11%	0.105	9%	0.089	C	C	.	.	H	α-helix	trans	-61.9	-42.3	172.6	178.8	52.3	0	0	0	111.7	A558 D559 T560 V564 F565 Y566 Y594	A558-L562 PolarHBondContact O-N 2.93Å; D559-L562 WeakPolarHBondContact O-CB 3.42Å; D559-L562 PolarHBondContact O-N 3.35Å; T560-L562 VanDerWaalsContact C-N 3.29Å; T560-L562 PolarHBondContact O-N 3.43Å; L562-V564 VanDerWaalsContact C-N 3.34Å; L562-F565 HydrophobicContact CD1-CD1 3.91Å; L562-F565 WeakPolarHBondContact O-CB 3.35Å; L562-F565 PolarHBondContact O-N 3.06Å; L562-Y566 HydrophobicContact CD1-CD1 4.23Å; L562-Y566 HydrophobicContact CD1-CE1 3.45Å; L562-Y566 VanDerWaalsContact CD1-CE1 3.45Å; L562-Y566 HydrophobicContact CD1-CE2 3.97Å; L562-Y566 VanDerWaalsContact CD1-OH 3.32Å; L562-Y566 WeakPolarHBondContact CD1-OH 3.21Å; L562-Y566 HydrophobicContact CD2-CE2 4.45Å; L562-Y566 HydrophobicContact CG-CE1 4.26Å; L562-Y566 HydrophobicContact CG-CE2 3.84Å; L562-Y566 PolarHBondContact O-N 3.45Å; L562-Y566 VanDerWaalsContact O-N 3.11Å; L562-Y594 HydrophobicContact CB-CD2 4.07Å; L562-Y594 HydrophobicContact CB-CE2 3.71Å; L562-Y594 HydrophobicContact CD1-CD1 4.13Å; L562-Y594 HydrophobicContact CD1-CD2 3.81Å; L562-Y594 HydrophobicContact CD1-CE1 3.8Å; L562-Y594 HydrophobicContact CD1-CE2 3.49Å; L562-Y594 VanDerWaalsContact CD1-CE2 3.49Å; L562-Y594 HydrophobicContact CD1-CG 4.13Å; L562-Y594 VanDerWaalsContact CD1-CZ 3.45Å; L562-Y594 HydrophobicContact CD2-CE2 4.14Å; L562-Y594 HydrophobicContact CG-CD2 4.49Å; L562-Y594 HydrophobicContact CG-CE2 3.97Å
563	Q	97.9	Very high	96.9	Very high	50 Å²	50	15.3 Å²	15.3	23%	0.234	8%	0.076	C	C	.	.	H	α-helix	trans	-65	-37.6	174.5	-63	-59.9	-44.9	0	0	112.3	D559 T560 F565 Y566 A567 Y618 L622	D559-Q563 PolarHBondContact O-N 2.88Å; T560-Q563 WeakPolarHBondContact O-CB 3.39Å; T560-Q563 PolarHBondContact O-N 3.42Å; T560-Q563 VanDerWaalsContact O-N 3.14Å; Q563-F565 VanDerWaalsContact C-N 3.34Å; Q563-F565 PolarHBondContact O-N 3.35Å; Q563-Y566 PolarHBondContact O-N 3.33Å; Q563-A567 WeakPolarHBondContact O-CB 2.86Å; Q563-A567 PolarHBondContact O-N 2.81Å; Q563-Y618 PolarHBondContact OE1-OH 3.14Å; Q563-Y618 VanDerWaalsContact OE1-OH 3.1Å; Q563-L622 HydrophobicContact CB-CD1 4.24Å; Q563-L622 HydrophobicContact CB-CD2 4.01Å; Q563-L622 HydrophobicContact CB-CG 4.23Å
564	V	98.6	Very high	97.3	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-61.2	-43.4	173.5	170.7	0	0	0	0	111.2	L307 L310 T311 T560 Q561 L562 A567 A568 F593 L622	L307-V564 HydrophobicContact CB-CG1 4.09Å; L307-V564 HydrophobicContact CD2-CG1 4.2Å; L307-V564 HydrophobicContact CD2-CG2 4.28Å; L310-V564 HydrophobicContact CD2-CG2 3.64Å; L310-V564 HydrophobicContact CG-CG2 4.13Å; T311-V564 WeakPolarHBondContact OG1-CG1 3.47Å; T560-V564 WeakPolarHBondContact O-CG2 3.22Å; T560-V564 PolarHBondContact O-N 3.42Å; Q561-V564 WeakPolarHBondContact O-CB 3.26Å; Q561-V564 PolarHBondContact O-N 3.05Å; L562-V564 VanDerWaalsContact C-N 3.34Å; V564-A567 PolarHBondContact O-N 3.27Å; V564-A568 VanDerWaalsContact O-CB 3.31Å; V564-A568 WeakPolarHBondContact O-CB 3.49Å; V564-A568 PolarHBondContact O-N 3.41Å; V564-F593 HydrophobicContact CG1-CD1 3.89Å; V564-F593 HydrophobicContact CG1-CE1 4.44Å; V564-L622 HydrophobicContact CG2-CD1 3.74Å
565	F	98.4	Very high	97.6	Very high	4 Å²	4	13.1 Å²	13.1	2%	0.018	7%	0.07	C	C	.	.	H	α-helix	trans	-58.8	-47.1	175.2	158.2	-122.5	0	0	0	112	Q561 L562 Q563 A567 A568 L569 L586 M589 Q590 F593 Y594	Q561-F565 PolarHBondContact O-N 2.56Å; L562-F565 HydrophobicContact CD1-CD1 3.91Å; L562-F565 WeakPolarHBondContact O-CB 3.35Å; L562-F565 PolarHBondContact O-N 3.06Å; Q563-F565 VanDerWaalsContact C-N 3.34Å; Q563-F565 PolarHBondContact O-N 3.35Å; F565-A567 PolarHBondContact O-N 3.06Å; F565-A568 PolarHBondContact O-N 3.13Å; F565-L569 HydrophobicContact CE2-CB 4.42Å; F565-L569 HydrophobicContact CE2-CD2 4.43Å; F565-L569 HydrophobicContact CZ-CD2 4.44Å; F565-L569 WeakPolarHBondContact O-CB 3.28Å; F565-L569 PolarHBondContact O-N 2.84Å; F565-L586 HydrophobicContact CE2-CD1 4.17Å; F565-L586 HydrophobicContact CZ-CD1 3.55Å; F565-M589 HydrophobicContact CD2-CB 4.05Å; F565-M589 HydrophobicContact CE2-CB 3.85Å; F565-Q590 HydrophobicContact CD2-CB 4.49Å; F565-Q590 HydrophobicContact CE1-CG 4.47Å; F565-Q590 HydrophobicContact CE2-CB 3.81Å; F565-Q590 HydrophobicContact CE2-CG 4.49Å; F565-Q590 VanDerWaalsContact CE2-N 3.34Å; F565-Q590 HydrophobicContact CZ-CB 3.83Å; F565-Q590 HydrophobicContact CZ-CG 4.17Å; F565-F593 HydrophobicContact CB-CB 3.88Å; F565-Y594 HydrophobicContact CD1-CD1 4.32Å; F565-Y594 HydrophobicContact CD1-CG 4.26Å; F565-Y594 HydrophobicContact CE1-CD1 4.46Å
566	Y	98.6	Very high	97.6	Very high	35 Å²	35	20.4 Å²	20.4	14%	0.137	10%	0.102	C	C	.	.	H	α-helix	trans	-61.3	-44.1	177.5	-62	-20.7	0	0	0	112.4	L562 Q563 L569 D570 W604 F608 Y618	L562-Y566 HydrophobicContact CD1-CD1 4.23Å; L562-Y566 HydrophobicContact CD1-CE1 3.45Å; L562-Y566 VanDerWaalsContact CD1-CE1 3.45Å; L562-Y566 HydrophobicContact CD1-CE2 3.97Å; L562-Y566 VanDerWaalsContact CD1-OH 3.32Å; L562-Y566 WeakPolarHBondContact CD1-OH 3.21Å; L562-Y566 HydrophobicContact CD2-CE2 4.45Å; L562-Y566 HydrophobicContact CG-CE1 4.26Å; L562-Y566 HydrophobicContact CG-CE2 3.84Å; L562-Y566 PolarHBondContact O-N 3.45Å; L562-Y566 VanDerWaalsContact O-N 3.11Å; Q563-Y566 PolarHBondContact O-N 3.33Å; Y566-L569 PolarHBondContact O-N 2.94Å; Y566-D570 WeakPolarHBondContact O-CB 3.45Å; Y566-D570 PolarHBondContact O-N 3.24Å; Y566-W604 AromaticContact CD1-CH2 3.25Å; Y566-W604 HydrophobicContact CD1-CH2 3.25Å; Y566-W604 AromaticContact CD1-CZ2 3.73Å; Y566-W604 HydrophobicContact CD1-CZ2 3.73Å; Y566-W604 AromaticContact CD1-CZ3 3.8Å; Y566-W604 HydrophobicContact CD1-CZ3 3.8Å; Y566-W604 HydrophobicContact CD2-CH2 4.33Å; Y566-W604 HydrophobicContact CE1-CD2 4.45Å; Y566-W604 AromaticContact CE1-CE2 3.81Å; Y566-W604 HydrophobicContact CE1-CE3 4.48Å; Y566-W604 AromaticContact CE1-CH2 3.25Å; Y566-W604 HydrophobicContact CE1-CH2 3.25Å; Y566-W604 AromaticContact CE1-CZ2 3.19Å; Y566-W604 HydrophobicContact CE1-CZ2 3.19Å; Y566-W604 AromaticContact CE1-CZ3 3.94Å; Y566-W604 HydrophobicContact CE1-CZ3 3.94Å; Y566-W604 HydrophobicContact CE2-CH2 4.34Å; Y566-W604 HydrophobicContact CE2-CZ2 4.07Å; Y566-W604 AromaticContact CG-CH2 3.82Å; Y566-W604 HydrophobicContact CG-CH2 3.82Å; Y566-W604 HydrophobicContact CG-CZ2 4.35Å; Y566-W604 AromaticContact CZ-CH2 3.83Å; Y566-W604 AromaticContact CZ-CZ2 3.38Å; Y566-F608 HydrophobicContact CG-CZ 4.45Å; Y566-Y618 AromaticContact CD2-CE1 3.92Å; Y566-Y618 HydrophobicContact CD2-CE1 3.92Å; Y566-Y618 HydrophobicContact CG-CE1 4.15Å
567	A	98.5	Very high	97.5	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-64.6	-42.2	177.7	0	0	0	0	0	112.4	L307 Q563 V564 F565 D570 Q571 Y618	L307-A567 HydrophobicContact CD1-CB 3.78Å; L307-A567 HydrophobicContact CD2-CB 3.85Å; L307-A567 HydrophobicContact CG-CB 4.49Å; Q563-A567 WeakPolarHBondContact O-CB 2.86Å; Q563-A567 PolarHBondContact O-N 2.81Å; V564-A567 PolarHBondContact O-N 3.27Å; F565-A567 PolarHBondContact O-N 3.06Å; A567-D570 PolarHBondContact O-N 3.19Å; A567-Q571 WeakPolarHBondContact O-CG 3.31Å; A567-Q571 PolarHBondContact O-N 3.23Å; A567-Y618 HydrophobicContact CB-CD1 4.22Å
568	A	98.6	Very high	97.2	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-65.8	-44.5	177.5	0	0	0	0	0	111.3	M304 L307 V564 F565 D570 Q571 I572 F593	M304-A568 HydrophobicContact CE-CB 4.38Å; L307-A568 HydrophobicContact CD1-CB 4.13Å; V564-A568 VanDerWaalsContact O-CB 3.31Å; V564-A568 WeakPolarHBondContact O-CB 3.49Å; V564-A568 PolarHBondContact O-N 3.41Å; F565-A568 PolarHBondContact O-N 3.13Å; A568-D570 VanDerWaalsContact C-N 3.32Å; A568-D570 PolarHBondContact O-N 3.38Å; A568-Q571 PolarHBondContact O-N 3.19Å; A568-I572 WeakPolarHBondContact O-CG1 3.37Å; A568-I572 PolarHBondContact O-N 3.07Å; A568-F593 HydrophobicContact CB-CD2 3.75Å; A568-F593 HydrophobicContact CB-CE2 3.62Å; A568-F593 HydrophobicContact CB-CG 4.27Å; A568-F593 HydrophobicContact CB-CZ 4.04Å
569	L	98.5	Very high	96.8	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-58.2	-46	176.7	-176.8	66.9	0	0	0	111.6	F565 Y566 Q571 I572 Y573 I585 L586 M589 W604	F565-L569 HydrophobicContact CE2-CB 4.42Å; F565-L569 HydrophobicContact CE2-CD2 4.43Å; F565-L569 HydrophobicContact CZ-CD2 4.44Å; F565-L569 WeakPolarHBondContact O-CB 3.28Å; F565-L569 PolarHBondContact O-N 2.84Å; Y566-L569 PolarHBondContact O-N 2.94Å; L569-Q571 PolarHBondContact O-N 3.17Å; L569-I572 PolarHBondContact O-N 3.29Å; L569-Y573 HydrophobicContact CD1-CD1 4.5Å; L569-Y573 HydrophobicContact CD1-CD2 4.28Å; L569-Y573 HydrophobicContact CD1-CE1 3.94Å; L569-Y573 HydrophobicContact CD1-CE2 3.69Å; L569-Y573 VanDerWaalsContact CD1-CZ 3.48Å; L569-Y573 HydrophobicContact CD2-CE2 3.75Å; L569-Y573 HydrophobicContact CG-CD2 3.92Å; L569-Y573 HydrophobicContact CG-CE2 3.48Å; L569-Y573 VanDerWaalsContact CG-CE2 3.48Å; L569-Y573 PolarHBondContact O-N 3.35Å; L569-I585 HydrophobicContact CD1-CG2 4.07Å; L569-L586 HydrophobicContact CD1-CB 4.47Å; L569-L586 HydrophobicContact CD1-CD1 4.43Å; L569-L586 HydrophobicContact CD2-CD1 3.5Å; L569-M589 HydrophobicContact CD1-CB 4.05Å; L569-M589 HydrophobicContact CD1-CG 3.95Å; L569-W604 HydrophobicContact CD2-CE3 4.24Å; L569-W604 HydrophobicContact CD2-CZ3 3.96Å
570	D	98.6	Very high	96.7	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-59	-44.7	176.1	175.6	47.4	0	0	0	112.3	Y566 A567 A568 I572 Y573 H574 L611 A616 K617 Y618	Y566-D570 WeakPolarHBondContact O-CB 3.45Å; Y566-D570 PolarHBondContact O-N 3.24Å; A567-D570 PolarHBondContact O-N 3.19Å; A568-D570 VanDerWaalsContact C-N 3.32Å; A568-D570 PolarHBondContact O-N 3.38Å; D570-I572 PolarHBondContact O-N 3.18Å; D570-Y573 PolarHBondContact O-N 3.22Å; D570-H574 WeakPolarHBondContact O-CB 3.41Å; D570-H574 PolarHBondContact O-N 3.36Å; D570-H574 VanDerWaalsContact O-N 3.12Å; D570-H574 PolarHBondContact O-ND1 3.4Å; D570-H574 IonicContact OD1-CE1 3.22Å; D570-H574 PolarHBondContact OD1-CE1 3.39Å; D570-H574 IonicContact OD1-ND1 3.37Å; D570-H574 PolarHBondContact OD1-ND1 2.75Å; D570-L611 HydrophobicContact CB-CD2 4.21Å; D570-A616 VanDerWaalsContact CG-N 3.28Å; D570-A616 PolarHBondContact OD1-N 2.8Å; D570-A616 WeakPolarHBondContact OD2-CA 3.5Å; D570-A616 PolarHBondContact OD2-N 2.85Å; D570-K617 PolarHBondContact OD2-N 3.42Å; D570-Y618 PolarHBondContact OD2-N 3.4Å
571	Q	98.4	Very high	96.6	Very high	6 Å²	6	38.3 Å²	38.3	3%	0.028	19%	0.192	C	C	.	.	H	α-helix	trans	-59.9	-44.5	175	-71.3	-51.3	-62.3	0	0	112.2	V303 M304 A567 A568 L569 H574 G575 A616	V303-Q571 HydrophobicContact CB-CG 4.37Å; V303-Q571 HydrophobicContact CG1-CG 3.7Å; M304-Q571 HydrophobicContact CG-CB 4.47Å; M304-Q571 HydrophobicContact SD-CB 3.78Å; M304-Q571 HydrophobicContact SD-CG 3.98Å; A567-Q571 WeakPolarHBondContact O-CG 3.31Å; A567-Q571 PolarHBondContact O-N 3.23Å; A568-Q571 PolarHBondContact O-N 3.19Å; L569-Q571 PolarHBondContact O-N 3.17Å; Q571-H574 CarbonylContact O-C 3.5Å; Q571-H574 PolarHBondContact O-N 2.63Å; Q571-G575 PolarHBondContact O-N 3.19Å; Q571-A616 PolarHBondContact NE2-O 2.98Å
572	I	98.3	Very high	96.6	Very high	46 Å²	46	38.3 Å²	38.3	24%	0.236	19%	0.192	C	C	.	.	H	α-helix	trans	-67.7	-42.5	-177.4	-64.3	-57.5	0	0	0	111.3	A568 L569 D570 H574 G575 I585 M589	A568-I572 WeakPolarHBondContact O-CG1 3.37Å; A568-I572 PolarHBondContact O-N 3.07Å; L569-I572 PolarHBondContact O-N 3.29Å; D570-I572 PolarHBondContact O-N 3.18Å; I572-H574 VanDerWaalsContact C-N 3.29Å; I572-H574 PolarHBondContact O-N 3.13Å; I572-G575 PolarHBondContact O-N 3.43Å; I572-I585 HydrophobicContact CB-CG2 4.48Å; I572-I585 HydrophobicContact CG2-CG2 3.67Å; I572-M589 HydrophobicContact CG1-SD 3.85Å
573	Y	98.3	Very high	96.6	Very high	14 Å²	14	38.3 Å²	38.3	6%	0.055	19%	0.193	C	C	.	.	H	α-helix	trans	-62.1	-36.8	176	-74.7	-24.2	0	0	0	112.9	L272 L569 D570 G575 T582 I585 Q605 L611	L272-Y573 HydrophobicContact CD1-CD1 4.19Å; L272-Y573 HydrophobicContact CD1-CG 4Å; L569-Y573 HydrophobicContact CD1-CD1 4.5Å; L569-Y573 HydrophobicContact CD1-CD2 4.28Å; L569-Y573 HydrophobicContact CD1-CE1 3.94Å; L569-Y573 HydrophobicContact CD1-CE2 3.69Å; L569-Y573 VanDerWaalsContact CD1-CZ 3.48Å; L569-Y573 HydrophobicContact CD2-CE2 3.75Å; L569-Y573 HydrophobicContact CG-CD2 3.92Å; L569-Y573 HydrophobicContact CG-CE2 3.48Å; L569-Y573 VanDerWaalsContact CG-CE2 3.48Å; L569-Y573 PolarHBondContact O-N 3.35Å; D570-Y573 PolarHBondContact O-N 3.22Å; Y573-G575 VanDerWaalsContact C-N 3.28Å; Y573-G575 PolarHBondContact O-N 2.84Å; Y573-T582 HydrophobicContact CD1-CG2 4.48Å; Y573-T582 HydrophobicContact CE1-CG2 4.02Å; Y573-T582 PolarHBondContact OH-O 3.48Å; Y573-I585 HydrophobicContact CD1-CD1 4.33Å; Y573-I585 HydrophobicContact CD1-CG2 4.07Å; Y573-I585 HydrophobicContact CE1-CB 3.85Å; Y573-I585 HydrophobicContact CE1-CD1 4.21Å; Y573-I585 HydrophobicContact CE1-CG2 3.68Å; Y573-Q605 HydrophobicContact CE2-CB 3.88Å; Y573-Q605 HydrophobicContact CE2-CG 4.39Å; Y573-Q605 WeakPolarHBondContact OH-CB 3.34Å; Y573-L611 HydrophobicContact CD2-CD1 3.98Å; Y573-L611 HydrophobicContact CD2-CD2 3.88Å; Y573-L611 HydrophobicContact CE2-CD1 4.06Å
574	H	98.4	Very high	96.6	Very high	3 Å²	3	40.7 Å²	40.7	1%	0.014	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	8.1	178.9	-67	98.7	0	0	0	114.3	R275 Y287 G288 D570 Q571 I572 G615 A616	R275-H574 PolarHBondContact NH1-NE2 3.49Å; Y287-H574 HydrophobicContact CD1-CB 3.94Å; Y287-H574 AromaticContact CD1-CD2 3.3Å; Y287-H574 WeakPolarHBondContact CD1-CD2 3.31Å; Y287-H574 AromaticContact CD1-CG 3.83Å; Y287-H574 AromaticContact CE1-CD2 3.68Å; Y287-H574 PolarHBondContact N-O 2.96Å; G288-H574 PolarHBondContact N-O 3.28Å; D570-H574 WeakPolarHBondContact O-CB 3.41Å; D570-H574 PolarHBondContact O-N 3.36Å; D570-H574 VanDerWaalsContact O-N 3.12Å; D570-H574 PolarHBondContact O-ND1 3.4Å; D570-H574 IonicContact OD1-CE1 3.22Å; D570-H574 PolarHBondContact OD1-CE1 3.39Å; D570-H574 IonicContact OD1-ND1 3.37Å; D570-H574 PolarHBondContact OD1-ND1 2.75Å; Q571-H574 CarbonylContact O-C 3.5Å; Q571-H574 PolarHBondContact O-N 2.63Å; I572-H574 VanDerWaalsContact C-N 3.29Å; I572-H574 PolarHBondContact O-N 3.13Å; H574-G615 VanDerWaalsContact CE1-CA 3.44Å; H574-G615 WeakPolarHBondContact CE1-CA 3.36Å; H574-A616 HydrophobicContact CB-CB 3.64Å; H574-A616 PolarHBondContact ND1-N 2.73Å; H574-A616 VanDerWaalsContact ND1-N 3.2Å
575	G	97.4	Very high	96.5	Very high	16 Å²	16	41.1 Å²	41.1	17%	0.165	21%	0.207	C	C	.	.	S	Bend	trans	-83.3	-148.8	172.5	0	0	0	0	0	112.7	Y276 Q571 I572 Y573	Y276-G575 WeakPolarHBondContact CD2-O 3.4Å; Q571-G575 PolarHBondContact O-N 3.19Å; I572-G575 PolarHBondContact O-N 3.43Å; Y573-G575 VanDerWaalsContact C-N 3.28Å; Y573-G575 PolarHBondContact O-N 2.84Å
576	K	95.4	Very high	96.5	Very high	153 Å²	153	41 Å²	41	67%	0.665	21%	0.206	S	C	*	.	S	Bend	trans	-76.8	131.1	172.7	-177.4	178.7	179.1	-178.3	0	109.5	Y276 Q578	Y276-K576 HydrophobicContact CE2-CB 4.16Å; Y276-K576 HydrophobicContact CE2-CG 4.19Å; K576-Q578 PolarHBondContact O-N 3.39Å
577	P	92.6	Very high	96.4	Very high	62 Å²	62	43.8 Å²	43.8	40%	0.403	22%	0.219	S	C	.	.	P	Polyproline II helix	trans	-53.2	134.9	175	-28.3	34.3	0	0	0	111.8	Y276	Y276-P577 HydrophobicContact CD1-CG 3.61Å; Y276-P577 HydrophobicContact CD2-CG 4.31Å; Y276-P577 HydrophobicContact CE1-CG 4.25Å; Y276-P577 HydrophobicContact CG-CG 3.64Å
578	Q	88.9	Confident	96.3	Very high	79 Å²	79	47.3 Å²	47.3	37%	0.369	24%	0.235	S	C	.	.	P	Polyproline II helix	trans	-103.4	149.8	176	-55.2	-175.8	39	0	0	108.9	K576 R580 I585	K576-Q578 PolarHBondContact O-N 3.39Å; Q578-R580 HydrophobicContact CB-CB 4.49Å; Q578-R580 PolarHBondContact O-N 3.33Å; Q578-I585 HydrophobicContact CB-CD1 4.27Å; Q578-I585 HydrophobicContact CG-CD1 4.46Å
579	N	90.3	Very high	96.2	Very high	181 Å²	181	47.8 Å²	47.8	97%	0.968	24%	0.238	S	C	*	.	S	Bend	trans	-76.4	50.3	174.8	-71.5	-12.6	0	0	0	111.3
580	R	93.6	Very high	96.2	Very high	94 Å²	94	48 Å²	48	36%	0.355	24%	0.239	S	C	.	.	S	Bend	trans	-145.7	149.4	-175.5	-70.7	171.5	63.1	-166.6	2.2	108.8	Q578 E584 I585 E588	Q578-R580 HydrophobicContact CB-CB 4.49Å; Q578-R580 PolarHBondContact O-N 3.33Å; R580-E584 WeakPolarHBondContact CA-OE2 3.32Å; R580-E584 HydrophobicContact CB-CB 4.36Å; R580-E584 PolarHBondContact NH2-O 3.5Å; R580-I585 HydrophobicContact CB-CG1 4.37Å; R580-E588 IonicContact CZ-OE2 2.78Å; R580-E588 IonicContact NH1-OE2 2.83Å; R580-E588 PolarHBondContact NH1-OE2 2.83Å; R580-E588 IonicContact NH2-OE2 2.62Å; R580-E588 PolarHBondContact NH2-OE2 3.26Å
581	S	95	Very high	96	Very high	36 Å²	36	53.7 Å²	53.7	25%	0.252	27%	0.265	S	S	.	.			trans	-65.8	156.1	174.8	64.4	0	0	0	0	111.4	E269 T583 E584 I585	E269-S581 WeakPolarHBondContact OE1-CA 3.4Å; S581-T583 PolarHBondContact O-N 2.97Å; S581-E584 PolarHBondContact N-OE2 2.97Å; S581-E584 PolarHBondContact O-N 3.28Å; S581-E584 VanDerWaalsContact O-N 3.17Å; S581-E584 VanDerWaalsContact OG-CG 3.24Å; S581-E584 WeakPolarHBondContact OG-CG 3.42Å; S581-E584 PolarHBondContact OG-N 3.32Å; S581-E584 PolarHBondContact OG-OE2 3.14Å; S581-I585 PolarHBondContact O-N 3.4Å
582	T	97	Very high	95.9	Very high	5 Å²	5	59 Å²	59	3%	0.031	29%	0.288	C	S	.	.	H	α-helix	trans	-57.1	-34.3	174.3	50.8	0	0	0	0	112.4	L268 E269 L272 Y573 I585 L586 Q605	L268-T582 HydrophobicContact CD2-CG2 4.17Å; L268-T582 HydrophobicContact CG-CG2 4.36Å; E269-T582 HydrophobicContact CG-CG2 3.61Å; E269-T582 PolarHBondContact OE1-N 2.83Å; E269-T582 VanDerWaalsContact OE1-N 3.11Å; L272-T582 HydrophobicContact CD1-CG2 3.99Å; Y573-T582 HydrophobicContact CD1-CG2 4.48Å; Y573-T582 HydrophobicContact CE1-CG2 4.02Å; Y573-T582 PolarHBondContact OH-O 3.48Å; T582-I585 PolarHBondContact O-N 3.21Å; T582-L586 PolarHBondContact O-N 3.27Å; T582-Q605 PolarHBondContact OG1-NE2 2.88Å
583	T	97.3	Very high	95.8	Very high	21 Å²	21	57.1 Å²	57.1	13%	0.129	28%	0.278	C	S	.	.	H	α-helix	trans	-70.3	-35.6	179.1	-52.7	0	0	0	0	112.7	M265 S581 I585 L586 K587 Y598 Q605	M265-T583 WeakPolarHBondContact CE-OG1 3.48Å; S581-T583 PolarHBondContact O-N 2.97Å; T583-I585 VanDerWaalsContact C-N 3.33Å; T583-L586 WeakPolarHBondContact O-CB 3.3Å; T583-L586 PolarHBondContact O-N 3.17Å; T583-K587 PolarHBondContact O-N 2.95Å; T583-Y598 HydrophobicContact CG2-CE2 4.43Å; T583-Y598 VanDerWaalsContact CG2-OH 3.22Å; T583-Y598 WeakPolarHBondContact CG2-OH 3.35Å; T583-Q605 PolarHBondContact OG1-NE2 3.16Å
584	E	97	Very high	95.6	Very high	99 Å²	99	57 Å²	57	46%	0.463	28%	0.278	S	S	.	.	H	α-helix	trans	-67.4	-36.4	175.3	-74.9	166.9	135.2	0	0	112	R580 S581 E588	R580-E584 WeakPolarHBondContact CA-OE2 3.32Å; R580-E584 HydrophobicContact CB-CB 4.36Å; R580-E584 PolarHBondContact NH2-O 3.5Å; S581-E584 PolarHBondContact N-OE2 2.97Å; S581-E584 PolarHBondContact O-N 3.28Å; S581-E584 VanDerWaalsContact O-N 3.17Å; S581-E584 VanDerWaalsContact OG-CG 3.24Å; S581-E584 WeakPolarHBondContact OG-CG 3.42Å; S581-E584 PolarHBondContact OG-N 3.32Å; S581-E584 PolarHBondContact OG-OE2 3.14Å; E584-E588 PolarHBondContact O-N 3.04Å
585	I	97.7	Very high	95.2	Very high	10 Å²	10	59.3 Å²	59.3	5%	0.051	30%	0.302	C	S	.	.	H	α-helix	trans	-68.1	-44	173.7	-63.7	168.6	0	0	0	109.9	L569 I572 Y573 Q578 R580 S581 T582 T583 K587 E588 M589	L569-I585 HydrophobicContact CD1-CG2 4.07Å; I572-I585 HydrophobicContact CB-CG2 4.48Å; I572-I585 HydrophobicContact CG2-CG2 3.67Å; Y573-I585 HydrophobicContact CD1-CD1 4.33Å; Y573-I585 HydrophobicContact CD1-CG2 4.07Å; Y573-I585 HydrophobicContact CE1-CB 3.85Å; Y573-I585 HydrophobicContact CE1-CD1 4.21Å; Y573-I585 HydrophobicContact CE1-CG2 3.68Å; Q578-I585 HydrophobicContact CB-CD1 4.27Å; Q578-I585 HydrophobicContact CG-CD1 4.46Å; R580-I585 HydrophobicContact CB-CG1 4.37Å; S581-I585 PolarHBondContact O-N 3.4Å; T582-I585 PolarHBondContact O-N 3.21Å; T583-I585 VanDerWaalsContact C-N 3.33Å; I585-K587 VanDerWaalsContact C-N 3.32Å; I585-K587 PolarHBondContact O-N 2.7Å; I585-E588 PolarHBondContact O-N 3.01Å; I585-M589 HydrophobicContact CG2-CG 4.2Å; I585-M589 WeakPolarHBondContact O-CG 3.46Å; I585-M589 PolarHBondContact O-N 2.9Å
586	L	97.8	Very high	95.1	Very high	1 Å²	1	58.8 Å²	58.8	1%	0.005	30%	0.295	C	S	.	.	H	α-helix	trans	-52	-52.2	174.5	173.6	74.2	0	0	0	110.7	F565 L569 T582 T583 E588 M589 Q590 Y598 W604 Q605	F565-L586 HydrophobicContact CE2-CD1 4.17Å; F565-L586 HydrophobicContact CZ-CD1 3.55Å; L569-L586 HydrophobicContact CD1-CB 4.47Å; L569-L586 HydrophobicContact CD1-CD1 4.43Å; L569-L586 HydrophobicContact CD2-CD1 3.5Å; T582-L586 PolarHBondContact O-N 3.27Å; T583-L586 WeakPolarHBondContact O-CB 3.3Å; T583-L586 PolarHBondContact O-N 3.17Å; L586-E588 PolarHBondContact O-N 3.41Å; L586-M589 PolarHBondContact O-N 3.43Å; L586-Q590 VanDerWaalsContact O-CB 3.29Å; L586-Q590 WeakPolarHBondContact O-CB 3.44Å; L586-Q590 PolarHBondContact O-N 3.41Å; L586-Y598 HydrophobicContact CD2-CE2 4.13Å; L586-W604 HydrophobicContact CD1-CB 4.48Å; L586-W604 HydrophobicContact CD1-CE3 4.03Å; L586-W604 HydrophobicContact CD2-CB 3.93Å; L586-Q605 VanDerWaalsContact CD2-OE1 3.24Å
587	K	97.5	Very high	95.1	Very high	93 Å²	93	53.9 Å²	53.9	40%	0.404	28%	0.279	S	S	.	.	H	α-helix	trans	-56.3	-49.3	-179.2	177	179.9	173.8	-172.3	0	111.7	T583 I585 Q590 E591 Y598	T583-K587 PolarHBondContact O-N 2.95Å; I585-K587 VanDerWaalsContact C-N 3.32Å; I585-K587 PolarHBondContact O-N 2.7Å; K587-Q590 PolarHBondContact O-N 3.16Å; K587-E591 WeakPolarHBondContact CE-OE1 3.46Å; K587-E591 WeakPolarHBondContact O-CG 3.39Å; K587-E591 PolarHBondContact O-N 2.69Å; K587-Y598 HydrophobicContact CB-CD1 4.29Å; K587-Y598 HydrophobicContact CB-CD2 4.19Å; K587-Y598 HydrophobicContact CB-CG 4.04Å; K587-Y598 HydrophobicContact CD-CD1 3.9Å; K587-Y598 HydrophobicContact CD-CE1 4.36Å; K587-Y598 HydrophobicContact CD-CG 4.34Å; K587-Y598 HydrophobicContact CG-CD1 3.93Å; K587-Y598 HydrophobicContact CG-CD2 4.49Å; K587-Y598 HydrophobicContact CG-CG 3.84Å
588	E	96.4	Very high	95.3	Very high	74 Å²	74	53 Å²	53	35%	0.346	27%	0.268	S	S	.	.	H	α-helix	trans	-64	-45.1	179.8	-176.1	-167.4	161.8	0	0	112.2	R580 E584 I585 L586 Q590 E591 K592	R580-E588 IonicContact CZ-OE2 2.78Å; R580-E588 IonicContact NH1-OE2 2.83Å; R580-E588 PolarHBondContact NH1-OE2 2.83Å; R580-E588 IonicContact NH2-OE2 2.62Å; R580-E588 PolarHBondContact NH2-OE2 3.26Å; E584-E588 PolarHBondContact O-N 3.04Å; I585-E588 PolarHBondContact O-N 3.01Å; L586-E588 PolarHBondContact O-N 3.41Å; E588-Q590 VanDerWaalsContact C-N 3.26Å; E588-Q590 PolarHBondContact O-N 2.8Å; E588-E591 PolarHBondContact O-N 3.19Å; E588-K592 WeakPolarHBondContact O-CB 3.47Å; E588-K592 PolarHBondContact O-N 3.27Å
589	M	96.9	Very high	95.6	Very high	11 Å²	11	49.2 Å²	49.2	5%	0.054	25%	0.25	C	S	.	.	H	α-helix	trans	-65.2	-34.3	179	-67.6	-55.3	95.8	0	0	111.5	F565 L569 I572 I585 L586 K592 F593	F565-M589 HydrophobicContact CD2-CB 4.05Å; F565-M589 HydrophobicContact CE2-CB 3.85Å; L569-M589 HydrophobicContact CD1-CB 4.05Å; L569-M589 HydrophobicContact CD1-CG 3.95Å; I572-M589 HydrophobicContact CG1-SD 3.85Å; I585-M589 HydrophobicContact CG2-CG 4.2Å; I585-M589 WeakPolarHBondContact O-CG 3.46Å; I585-M589 PolarHBondContact O-N 2.9Å; L586-M589 PolarHBondContact O-N 3.43Å; M589-K592 PolarHBondContact O-N 3.43Å; M589-F593 WeakPolarHBondContact O-CB 3.29Å; M589-F593 PolarHBondContact O-N 3.37Å; M589-F593 HydrophobicContact SD-CD2 4.25Å; M589-F593 HydrophobicContact SD-CE2 3.97Å
590	Q	96.8	Very high	95.9	Very high	5 Å²	5	44.3 Å²	44.3	2%	0.023	23%	0.229	C	C	.	.	I	π-helix	trans	-65.9	-45.8	175	-169.5	178.5	-28.9	0	0	111.5	F565 L586 K587 E588 K592 Y594 G595 L596 P597	F565-Q590 HydrophobicContact CD2-CB 4.49Å; F565-Q590 HydrophobicContact CE1-CG 4.47Å; F565-Q590 HydrophobicContact CE2-CB 3.81Å; F565-Q590 HydrophobicContact CE2-CG 4.49Å; F565-Q590 VanDerWaalsContact CE2-N 3.34Å; F565-Q590 HydrophobicContact CZ-CB 3.83Å; F565-Q590 HydrophobicContact CZ-CG 4.17Å; L586-Q590 VanDerWaalsContact O-CB 3.29Å; L586-Q590 WeakPolarHBondContact O-CB 3.44Å; L586-Q590 PolarHBondContact O-N 3.41Å; K587-Q590 PolarHBondContact O-N 3.16Å; E588-Q590 VanDerWaalsContact C-N 3.26Å; E588-Q590 PolarHBondContact O-N 2.8Å; Q590-K592 VanDerWaalsContact C-N 3.29Å; Q590-K592 PolarHBondContact O-N 2.93Å; Q590-Y594 HydrophobicContact CG-CD1 3.83Å; Q590-Y594 HydrophobicContact CG-CG 4.36Å; Q590-Y594 WeakPolarHBondContact O-CB 3.42Å; Q590-Y594 PolarHBondContact O-N 3.11Å; Q590-G595 PolarHBondContact O-N 2.91Å; Q590-L596 PolarHBondContact NE2-O 3.37Å; Q590-P597 VanDerWaalsContact NE2-C 3.31Å; Q590-P597 PolarHBondContact NE2-O 3.27Å
591	E	94.6	Very high	96	Very high	118 Å²	118	45.2 Å²	45.2	55%	0.551	24%	0.241	S	C	*	.	I	π-helix	trans	-61.2	-39.3	175.8	-73.8	170.8	-177.8	0	0	111.7	K587 E588	K587-E591 WeakPolarHBondContact CE-OE1 3.46Å; K587-E591 WeakPolarHBondContact O-CG 3.39Å; K587-E591 PolarHBondContact O-N 2.69Å; E588-E591 PolarHBondContact O-N 3.19Å
592	K	95.8	Very high	96.2	Very high	118 Å²	118	43.6 Å²	43.6	51%	0.513	23%	0.229	S	C	.	.	I	π-helix	trans	-74.8	-44.3	-178.8	-175.9	173.3	176	-178	0	113.5	E588 M589 Q590	E588-K592 WeakPolarHBondContact O-CB 3.47Å; E588-K592 PolarHBondContact O-N 3.27Å; M589-K592 PolarHBondContact O-N 3.43Å; Q590-K592 VanDerWaalsContact C-N 3.29Å; Q590-K592 PolarHBondContact O-N 2.93Å
593	F	96.4	Very high	96.2	Very high	6 Å²	6	43.4 Å²	43.4	3%	0.026	23%	0.228	C	C	.	.	I	π-helix	trans	-110.4	-39.2	-168.8	-68.4	-75.8	0	0	0	114	M304 T311 Q561 V564 F565 A568 M589	M304-F593 HydrophobicContact CE-CZ 4.09Å; T311-F593 HydrophobicContact CG2-CD1 4.48Å; Q561-F593 WeakPolarHBondContact CG-O 3.25Å; Q561-F593 PolarHBondContact NE2-O 3.15Å; V564-F593 HydrophobicContact CG1-CD1 3.89Å; V564-F593 HydrophobicContact CG1-CE1 4.44Å; F565-F593 HydrophobicContact CB-CB 3.88Å; A568-F593 HydrophobicContact CB-CD2 3.75Å; A568-F593 HydrophobicContact CB-CE2 3.62Å; A568-F593 HydrophobicContact CB-CG 4.27Å; A568-F593 HydrophobicContact CB-CZ 4.04Å; M589-F593 WeakPolarHBondContact O-CB 3.29Å; M589-F593 PolarHBondContact O-N 3.37Å; M589-F593 HydrophobicContact SD-CD2 4.25Å; M589-F593 HydrophobicContact SD-CE2 3.97Å
594	Y	94.9	Very high	96.2	Very high	13 Å²	13	43.9 Å²	43.9	5%	0.051	23%	0.228	C	C	.	.	I	π-helix	trans	-79.2	-42.3	-170.3	-171.4	-164.6	0	0	0	112.8	F322 P341 H344 L562 F565 Q590 L596	F322-Y594 VanDerWaalsContact CE2-O 3.22Å; F322-Y594 WeakPolarHBondContact CE2-O 3.43Å; F322-Y594 HydrophobicContact CZ-CD2 4.29Å; F322-Y594 HydrophobicContact CZ-CE2 4.22Å; F322-Y594 VanDerWaalsContact CZ-O 3.26Å; F322-Y594 WeakPolarHBondContact CZ-O 3.3Å; P341-Y594 HydrophobicContact CB-CE1 4.34Å; H344-Y594 AromaticContact CE1-CE2 4Å; H344-Y594 AromaticContact ND1-CE2 3.56Å; H344-Y594 AromaticContact ND1-CZ 3.61Å; H344-Y594 PolarHBondContact ND1-OH 2.84Å; L562-Y594 HydrophobicContact CB-CD2 4.07Å; L562-Y594 HydrophobicContact CB-CE2 3.71Å; L562-Y594 HydrophobicContact CD1-CD1 4.13Å; L562-Y594 HydrophobicContact CD1-CD2 3.81Å; L562-Y594 HydrophobicContact CD1-CE1 3.8Å; L562-Y594 HydrophobicContact CD1-CE2 3.49Å; L562-Y594 VanDerWaalsContact CD1-CE2 3.49Å; L562-Y594 HydrophobicContact CD1-CG 4.13Å; L562-Y594 VanDerWaalsContact CD1-CZ 3.45Å; L562-Y594 HydrophobicContact CD2-CE2 4.14Å; L562-Y594 HydrophobicContact CG-CD2 4.49Å; L562-Y594 HydrophobicContact CG-CE2 3.97Å; F565-Y594 HydrophobicContact CD1-CD1 4.32Å; F565-Y594 HydrophobicContact CD1-CG 4.26Å; F565-Y594 HydrophobicContact CE1-CD1 4.46Å; Q590-Y594 HydrophobicContact CG-CD1 3.83Å; Q590-Y594 HydrophobicContact CG-CG 4.36Å; Q590-Y594 WeakPolarHBondContact O-CB 3.42Å; Q590-Y594 PolarHBondContact O-N 3.11Å; Y594-L596 HydrophobicContact CD1-CB 4.17Å; Y594-L596 HydrophobicContact CE1-CB 4.16Å; Y594-L596 HydrophobicContact CE1-CD1 4.16Å; Y594-L596 HydrophobicContact CE1-CG 4.5Å; Y594-L596 HydrophobicContact CE2-CD1 4.24Å; Y594-L596 HydrophobicContact CE2-CG 4.47Å
595	G	90.2	Very high	96.2	Very high	50 Å²	50	39.2 Å²	39.2	52%	0.515	21%	0.205	S	C	.	.			trans	86.6	1.2	-179.4	0	0	0	0	0	115.5	Q590	Q590-G595 PolarHBondContact O-N 2.91Å
596	L	95.1	Very high	96.2	Very high	5 Å²	5	38.9 Å²	38.9	3%	0.026	20%	0.204	C	C	.	.	S	Bend	trans	-107.8	147.3	167.9	-65.8	-174.9	0	0	0	111.2	F322 L339 P341 H344 Q590 Y594	F322-L596 HydrophobicContact CD1-CD2 3.83Å; F322-L596 HydrophobicContact CD1-CG 4.25Å; F322-L596 HydrophobicContact CE1-CD1 3.91Å; F322-L596 HydrophobicContact CE1-CD2 3.82Å; F322-L596 HydrophobicContact CE1-CG 3.7Å; F322-L596 HydrophobicContact CG-CD2 4.27Å; F322-L596 HydrophobicContact CZ-CD1 4.43Å; F322-L596 HydrophobicContact CZ-CD2 4.22Å; F322-L596 HydrophobicContact CZ-CG 3.87Å; L339-L596 HydrophobicContact CD2-CD2 3.67Å; L339-L596 HydrophobicContact CG-CD2 3.85Å; P341-L596 HydrophobicContact CG-CB 4.18Å; H344-L596 HydrophobicContact CB-CD1 3.96Å; Q590-L596 PolarHBondContact NE2-O 3.37Å; Y594-L596 HydrophobicContact CD1-CB 4.17Å; Y594-L596 HydrophobicContact CE1-CB 4.16Å; Y594-L596 HydrophobicContact CE1-CD1 4.16Å; Y594-L596 HydrophobicContact CE1-CG 4.5Å; Y594-L596 HydrophobicContact CE2-CD1 4.24Å; Y594-L596 HydrophobicContact CE2-CG 4.47Å
597	P	94.8	Very high	96.1	Very high	51 Å²	51	40.6 Å²	40.6	33%	0.331	21%	0.21	S	C	.	.	P	Polyproline II helix	trans	-65.1	144.3	-174.6	27.6	-36	0	0	0	112.5	M340 P341 Q590	M340-P597 HydrophobicContact CE-CG 4.02Å; M340-P597 HydrophobicContact SD-CG 3.56Å; M340-P597 VanDerWaalsContact SD-CG 3.56Å; P341-P597 WeakPolarHBondContact CG-O 3.49Å; Q590-P597 VanDerWaalsContact NE2-C 3.31Å; Q590-P597 PolarHBondContact NE2-O 3.27Å
598	Y	96.7	Very high	96	Very high	42 Å²	42	36.6 Å²	36.6	17%	0.165	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-67.6	137.9	170.1	170.7	-100.7	0	0	0	110.7	T583 L586 K587 T602	T583-Y598 HydrophobicContact CG2-CE2 4.43Å; T583-Y598 VanDerWaalsContact CG2-OH 3.22Å; T583-Y598 WeakPolarHBondContact CG2-OH 3.35Å; L586-Y598 HydrophobicContact CD2-CE2 4.13Å; K587-Y598 HydrophobicContact CB-CD1 4.29Å; K587-Y598 HydrophobicContact CB-CD2 4.19Å; K587-Y598 HydrophobicContact CB-CG 4.04Å; K587-Y598 HydrophobicContact CD-CD1 3.9Å; K587-Y598 HydrophobicContact CD-CE1 4.36Å; K587-Y598 HydrophobicContact CD-CG 4.34Å; K587-Y598 HydrophobicContact CG-CD1 3.93Å; K587-Y598 HydrophobicContact CG-CD2 4.49Å; K587-Y598 HydrophobicContact CG-CG 3.84Å; Y598-T602 PolarHBondContact OH-O 2.86Å
599	T	96.9	Very high	95.8	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-93.6	120.7	178.3	-58.3	0	0	0	0	110.1	Y254 R255 W342 T602	Y254-T599 HydrophobicContact CD1-CG2 4.48Å; Y254-T599 HydrophobicContact CE1-CG2 4.29Å; R255-T599 HydrophobicContact CG-CG2 4.19Å; W342-T599 HydrophobicContact CZ3-CG2 3.79Å; W342-T599 WeakPolarHBondContact CZ3-OG1 3.41Å; T599-T602 HydrophobicContact CG2-CG2 3.79Å; T599-T602 PolarHBondContact O-OG1 3.28Å
600	P	96.3	Very high	95.7	Very high	78 Å²	78	36.8 Å²	36.8	51%	0.506	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	148.2	178.4	-25.8	34.6	0	0	0	113.1	T602	P600-T602 VanDerWaalsContact C-N 3.32Å; P600-T602 PolarHBondContact O-N 2.97Å
601	N	95.9	Very high	95.6	Very high	114 Å²	114	36.6 Å²	36.6	61%	0.61	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.2	43.2	-177.9	-55.6	-35.3	0	0	0	113	Y259 P260	Y259-N601 HydrophobicContact CE2-CB 4.34Å; P260-N601 WeakPolarHBondContact CD-O 3.42Å
602	T	97.4	Very high	95.6	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.006	17%	0.173	C	C	.	.			trans	-128.8	147.2	170	65.5	0	0	0	0	110.5	Y254 L258 Y598 T599 P600	Y254-T602 HydrophobicContact CD1-CG2 4.32Å; Y254-T602 HydrophobicContact CE1-CG2 4.08Å; L258-T602 HydrophobicContact CB-CG2 4.27Å; L258-T602 CarbonylContact O-C 3.5Å; L258-T602 VanDerWaalsContact O-CA 3.26Å; L258-T602 WeakPolarHBondContact O-CA 3.38Å; Y598-T602 PolarHBondContact OH-O 2.86Å; T599-T602 HydrophobicContact CG2-CG2 3.79Å; T599-T602 PolarHBondContact O-OG1 3.28Å; P600-T602 VanDerWaalsContact C-N 3.32Å; P600-T602 PolarHBondContact O-N 2.97Å
603	A	97.2	Very high	95.2	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.008	18%	0.181	C	C	.	.			trans	-133.8	71.1	179.3	0	0	0	0	0	108.6	L258 P260 M265 Q605 L606	L258-A603 PolarHBondContact O-N 2.85Å; P260-A603 HydrophobicContact CB-CB 4.18Å; P260-A603 HydrophobicContact CG-CB 4.13Å; M265-A603 HydrophobicContact CE-CB 4.09Å; A603-Q605 VanDerWaalsContact CA-OE1 3.28Å; A603-Q605 PolarHBondContact O-N 3.3Å; A603-L606 HydrophobicContact CB-CD1 3.67Å; A603-L606 HydrophobicContact CB-CG 3.82Å; A603-L606 WeakPolarHBondContact O-CB 3.43Å; A603-L606 PolarHBondContact O-N 2.87Å; A603-L606 VanDerWaalsContact O-N 3.07Å
604	W	97.2	Very high	95	Very high	32 Å²	32	32 Å²	32	12%	0.121	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-55.5	-35.4	-176.4	178.4	87.8	0	0	0	112.6	L258 Y566 L569 L586 L606 R607 F608	L258-W604 HydrophobicContact CD1-CB 4.29Å; Y566-W604 AromaticContact CD1-CH2 3.25Å; Y566-W604 HydrophobicContact CD1-CH2 3.25Å; Y566-W604 AromaticContact CD1-CZ2 3.73Å; Y566-W604 HydrophobicContact CD1-CZ2 3.73Å; Y566-W604 AromaticContact CD1-CZ3 3.8Å; Y566-W604 HydrophobicContact CD1-CZ3 3.8Å; Y566-W604 HydrophobicContact CD2-CH2 4.33Å; Y566-W604 HydrophobicContact CE1-CD2 4.45Å; Y566-W604 AromaticContact CE1-CE2 3.81Å; Y566-W604 HydrophobicContact CE1-CE3 4.48Å; Y566-W604 AromaticContact CE1-CH2 3.25Å; Y566-W604 HydrophobicContact CE1-CH2 3.25Å; Y566-W604 AromaticContact CE1-CZ2 3.19Å; Y566-W604 HydrophobicContact CE1-CZ2 3.19Å; Y566-W604 AromaticContact CE1-CZ3 3.94Å; Y566-W604 HydrophobicContact CE1-CZ3 3.94Å; Y566-W604 HydrophobicContact CE2-CH2 4.34Å; Y566-W604 HydrophobicContact CE2-CZ2 4.07Å; Y566-W604 AromaticContact CG-CH2 3.82Å; Y566-W604 HydrophobicContact CG-CH2 3.82Å; Y566-W604 HydrophobicContact CG-CZ2 4.35Å; Y566-W604 AromaticContact CZ-CH2 3.83Å; Y566-W604 AromaticContact CZ-CZ2 3.38Å; L569-W604 HydrophobicContact CD2-CE3 4.24Å; L569-W604 HydrophobicContact CD2-CZ3 3.96Å; L586-W604 HydrophobicContact CD1-CB 4.48Å; L586-W604 HydrophobicContact CD1-CE3 4.03Å; L586-W604 HydrophobicContact CD2-CB 3.93Å; W604-L606 PolarHBondContact O-N 3.45Å; W604-L606 VanDerWaalsContact O-N 3.11Å; W604-R607 PolarHBondContact O-N 3.46Å; W604-F608 HydrophobicContact CE3-CB 4.23Å; W604-F608 HydrophobicContact CH2-CB 3.76Å; W604-F608 AromaticContact CH2-CD1 3.53Å; W604-F608 HydrophobicContact CH2-CD1 3.53Å; W604-F608 AromaticContact CH2-CD2 3.4Å; W604-F608 HydrophobicContact CH2-CD2 3.4Å; W604-F608 AromaticContact CH2-CE1 3.9Å; W604-F608 HydrophobicContact CH2-CE1 3.9Å; W604-F608 AromaticContact CH2-CE2 3.76Å; W604-F608 HydrophobicContact CH2-CE2 3.76Å; W604-F608 AromaticContact CH2-CG 3.29Å; W604-F608 HydrophobicContact CH2-CG 3.29Å; W604-F608 HydrophobicContact CH2-CZ 4Å; W604-F608 HydrophobicContact CZ2-CB 4.3Å; W604-F608 AromaticContact CZ2-CD2 3.92Å; W604-F608 HydrophobicContact CZ2-CD2 3.92Å; W604-F608 HydrophobicContact CZ2-CE2 4.4Å; W604-F608 HydrophobicContact CZ2-CG 4.09Å; W604-F608 HydrophobicContact CZ3-CB 3.72Å; W604-F608 AromaticContact CZ3-CD1 3.5Å; W604-F608 HydrophobicContact CZ3-CD1 3.5Å; W604-F608 HydrophobicContact CZ3-CD2 4.16Å; W604-F608 HydrophobicContact CZ3-CE1 4.11Å; W604-F608 AromaticContact CZ3-CG 3.55Å; W604-F608 HydrophobicContact CZ3-CG 3.55Å
605	Q	97.3	Very high	95	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-58.8	-26	180	75.1	-78.3	12.8	0	0	113.2	F205 L268 Y573 T582 T583 L586 A603 R607 F608 L611	F205-Q605 WeakPolarHBondContact CZ-O 3.43Å; L268-Q605 HydrophobicContact CD2-CB 4.32Å; L268-Q605 HydrophobicContact CD2-CG 3.71Å; Y573-Q605 HydrophobicContact CE2-CB 3.88Å; Y573-Q605 HydrophobicContact CE2-CG 4.39Å; Y573-Q605 WeakPolarHBondContact OH-CB 3.34Å; T582-Q605 PolarHBondContact OG1-NE2 2.88Å; T583-Q605 PolarHBondContact OG1-NE2 3.16Å; L586-Q605 VanDerWaalsContact CD2-OE1 3.24Å; A603-Q605 VanDerWaalsContact CA-OE1 3.28Å; A603-Q605 PolarHBondContact O-N 3.3Å; Q605-R607 PolarHBondContact O-N 3.26Å; Q605-F608 PolarHBondContact O-N 2.71Å; Q605-L611 HydrophobicContact CB-CD1 4.4Å
606	L	97.3	Very high	95.4	Very high	3 Å²	3	29.1 Å²	29.1	2%	0.016	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-72.8	-14.7	177.9	-55.2	-175.7	0	0	0	113	F205 S209 N261 L264 M265 L268 A603 W604	F205-L606 HydrophobicContact CE2-CD2 4.39Å; S209-L606 WeakPolarHBondContact CA-O 3.42Å; S209-L606 VanDerWaalsContact CB-O 3.29Å; S209-L606 WeakPolarHBondContact CB-O 3.15Å; N261-L606 HydrophobicContact CB-CD1 4.26Å; L264-L606 HydrophobicContact CB-CD1 4.5Å; L264-L606 HydrophobicContact CD2-CB 3.94Å; L264-L606 HydrophobicContact CG-CB 4.33Å; L264-L606 HydrophobicContact CG-CD2 4.31Å; M265-L606 HydrophobicContact CB-CD1 4.36Å; M265-L606 HydrophobicContact CB-CD2 4.18Å; M265-L606 HydrophobicContact CE-CD1 4.34Å; L268-L606 HydrophobicContact CB-CD2 4.48Å; L268-L606 HydrophobicContact CD2-CD2 4.1Å; A603-L606 HydrophobicContact CB-CD1 3.67Å; A603-L606 HydrophobicContact CB-CG 3.82Å; A603-L606 WeakPolarHBondContact O-CB 3.43Å; A603-L606 PolarHBondContact O-N 2.87Å; A603-L606 VanDerWaalsContact O-N 3.07Å; W604-L606 PolarHBondContact O-N 3.45Å; W604-L606 VanDerWaalsContact O-N 3.11Å
607	R	95.6	Very high	95.5	Very high	37 Å²	37	31.5 Å²	31.5	14%	0.14	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-100.6	0.1	173.9	-57.9	-55.8	-174.6	-177.8	-0.9	112.7	G208 S209 V211 N213 Y257 L258 W604 Q605 S609	G208-R607 PolarHBondContact O-NH1 3.43Å; S209-R607 WeakPolarHBondContact O-CD 3.5Å; S209-R607 PolarHBondContact O-NH1 2.99Å; V211-R607 PolarHBondContact O-NH1 2.94Å; V211-R607 PolarHBondContact O-NH2 3.01Å; N213-R607 PolarHBondContact ND2-NH2 3.4Å; Y257-R607 HydrophobicContact CD1-CG 4.36Å; Y257-R607 HydrophobicContact CE1-CB 4.39Å; Y257-R607 HydrophobicContact CE1-CG 3.88Å; Y257-R607 PolarHBondContact O-NE 2.92Å; Y257-R607 PolarHBondContact O-NH2 2.79Å; Y257-R607 VanDerWaalsContact O-NH2 3.13Å; L258-R607 HydrophobicContact CD2-CB 4.15Å; L258-R607 HydrophobicContact CD2-CG 3.53Å; W604-R607 PolarHBondContact O-N 3.46Å; Q605-R607 PolarHBondContact O-N 3.26Å; R607-S609 PolarHBondContact O-N 3.39Å
608	F	95.9	Very high	95.6	Very high	10 Å²	10	30 Å²	30	4%	0.044	16%	0.164	C	C	.	.			trans	-95.4	74.9	-175.3	-167.4	-143	0	0	0	111.4	Y566 W604 Q605 H610 L611 Y618	Y566-F608 HydrophobicContact CG-CZ 4.45Å; W604-F608 HydrophobicContact CE3-CB 4.23Å; W604-F608 HydrophobicContact CH2-CB 3.76Å; W604-F608 AromaticContact CH2-CD1 3.53Å; W604-F608 HydrophobicContact CH2-CD1 3.53Å; W604-F608 AromaticContact CH2-CD2 3.4Å; W604-F608 HydrophobicContact CH2-CD2 3.4Å; W604-F608 AromaticContact CH2-CE1 3.9Å; W604-F608 HydrophobicContact CH2-CE1 3.9Å; W604-F608 AromaticContact CH2-CE2 3.76Å; W604-F608 HydrophobicContact CH2-CE2 3.76Å; W604-F608 AromaticContact CH2-CG 3.29Å; W604-F608 HydrophobicContact CH2-CG 3.29Å; W604-F608 HydrophobicContact CH2-CZ 4Å; W604-F608 HydrophobicContact CZ2-CB 4.3Å; W604-F608 AromaticContact CZ2-CD2 3.92Å; W604-F608 HydrophobicContact CZ2-CD2 3.92Å; W604-F608 HydrophobicContact CZ2-CE2 4.4Å; W604-F608 HydrophobicContact CZ2-CG 4.09Å; W604-F608 HydrophobicContact CZ3-CB 3.72Å; W604-F608 AromaticContact CZ3-CD1 3.5Å; W604-F608 HydrophobicContact CZ3-CD1 3.5Å; W604-F608 HydrophobicContact CZ3-CD2 4.16Å; W604-F608 HydrophobicContact CZ3-CE1 4.11Å; W604-F608 AromaticContact CZ3-CG 3.55Å; W604-F608 HydrophobicContact CZ3-CG 3.55Å; Q605-F608 PolarHBondContact O-N 2.71Å; F608-H610 HydrophobicContact CD2-CB 3.95Å; F608-H610 HydrophobicContact CE1-CB 4.39Å; F608-H610 HydrophobicContact CE2-CB 3.53Å; F608-H610 AromaticContact CE2-CG 3.85Å; F608-H610 AromaticContact CE2-ND1 3.85Å; F608-H610 HydrophobicContact CZ-CB 3.77Å; F608-H610 PolarHBondContact O-N 3.43Å; F608-L611 HydrophobicContact CB-CD1 4.36Å; F608-L611 HydrophobicContact CB-CG 4.35Å; F608-L611 HydrophobicContact CD1-CD1 4.12Å; F608-L611 HydrophobicContact CD1-CD2 3.73Å; F608-L611 HydrophobicContact CD1-CG 3.53Å; F608-L611 HydrophobicContact CE1-CD2 3.98Å; F608-L611 HydrophobicContact CE1-CG 4.21Å; F608-L611 HydrophobicContact CG-CG 4.23Å; F608-L611 WeakPolarHBondContact O-CB 3.31Å; F608-L611 WeakPolarHBondContact O-CG 3.49Å; F608-L611 PolarHBondContact O-N 2.93Å; F608-Y618 HydrophobicContact CE2-CD2 4.1Å; F608-Y618 AromaticContact CE2-CE2 3.62Å; F608-Y618 HydrophobicContact CE2-CE2 3.62Å; F608-Y618 AromaticContact CE2-CZ 3.93Å; F608-Y618 HydrophobicContact CZ-CD1 4.15Å; F608-Y618 AromaticContact CZ-CD2 3.51Å; F608-Y618 HydrophobicContact CZ-CD2 3.51Å; F608-Y618 HydrophobicContact CZ-CE1 4.1Å; F608-Y618 AromaticContact CZ-CE2 3.45Å; F608-Y618 HydrophobicContact CZ-CE2 3.45Å; F608-Y618 VanDerWaalsContact CZ-CE2 3.45Å; F608-Y618 AromaticContact CZ-CG 3.85Å; F608-Y618 HydrophobicContact CZ-CG 3.85Å; F608-Y618 AromaticContact CZ-CZ 3.75Å
609	S	93	Very high	95.7	Very high	29 Å²	29	28 Å²	28	20%	0.203	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-23.4	-179.4	58.4	0	0	0	0	114.3	R607 L611 I612	R607-S609 PolarHBondContact O-N 3.39Å; S609-L611 PolarHBondContact O-N 2.97Å; S609-I612 WeakPolarHBondContact O-CB 3.24Å; S609-I612 PolarHBondContact O-N 3.32Å
610	H	93.7	Very high	95.6	Very high	60 Å²	60	28 Å²	28	28%	0.278	16%	0.157	S	C	.	.	H	α-helix	trans	-59.9	-23.9	174.8	-72.4	80	0	0	0	113.4	F608 I612 Y614 G615 Y618	F608-H610 HydrophobicContact CD2-CB 3.95Å; F608-H610 HydrophobicContact CE1-CB 4.39Å; F608-H610 HydrophobicContact CE2-CB 3.53Å; F608-H610 AromaticContact CE2-CG 3.85Å; F608-H610 AromaticContact CE2-ND1 3.85Å; F608-H610 HydrophobicContact CZ-CB 3.77Å; F608-H610 PolarHBondContact O-N 3.43Å; H610-I612 PolarHBondContact O-N 3.36Å; H610-I612 VanDerWaalsContact O-N 3.09Å; H610-Y614 AromaticContact CD2-CD2 3.99Å; H610-Y614 CarbonylContact O-C 3.31Å; H610-Y614 VanDerWaalsContact O-C 3.23Å; H610-Y614 VanDerWaalsContact O-CA 3.27Å; H610-Y614 WeakPolarHBondContact O-CA 3.37Å; H610-Y614 WeakPolarHBondContact O-CB 3.41Å; H610-Y614 PolarHBondContact O-N 3.27Å; H610-G615 PolarHBondContact O-N 3.22Å; H610-Y618 HydrophobicContact CB-CD2 3.82Å; H610-Y618 HydrophobicContact CB-CE2 3.96Å; H610-Y618 AromaticContact CD2-CD2 3.9Å; H610-Y618 AromaticContact CD2-CE2 3.6Å; H610-Y618 AromaticContact CG-CE2 3.71Å
611	L	95.8	Very high	95.6	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-57.4	-24.8	172.2	-66.8	176.4	0	0	0	111.9	L268 R275 D570 Y573 Q605 F608 S609 G615	L268-L611 HydrophobicContact CD1-CD1 4.17Å; L268-L611 HydrophobicContact CD2-CD1 4.22Å; R275-L611 PolarHBondContact NH1-O 3.28Å; D570-L611 HydrophobicContact CB-CD2 4.21Å; Y573-L611 HydrophobicContact CD2-CD1 3.98Å; Y573-L611 HydrophobicContact CD2-CD2 3.88Å; Y573-L611 HydrophobicContact CE2-CD1 4.06Å; Q605-L611 HydrophobicContact CB-CD1 4.4Å; F608-L611 HydrophobicContact CB-CD1 4.36Å; F608-L611 HydrophobicContact CB-CG 4.35Å; F608-L611 HydrophobicContact CD1-CD1 4.12Å; F608-L611 HydrophobicContact CD1-CD2 3.73Å; F608-L611 HydrophobicContact CD1-CG 3.53Å; F608-L611 HydrophobicContact CE1-CD2 3.98Å; F608-L611 HydrophobicContact CE1-CG 4.21Å; F608-L611 HydrophobicContact CG-CG 4.23Å; F608-L611 WeakPolarHBondContact O-CB 3.31Å; F608-L611 WeakPolarHBondContact O-CG 3.49Å; F608-L611 PolarHBondContact O-N 2.93Å; S609-L611 PolarHBondContact O-N 2.97Å; L611-G615 WeakPolarHBondContact O-CA 3.35Å
612	I	93.3	Very high	95.7	Very high	14 Å²	14	21.3 Å²	21.3	7%	0.072	11%	0.113	C	C	.	.	H	α-helix	trans	-85.4	-67.6	-179.2	-51.6	-48.1	0	0	0	110.9	F205 L206 L271 R275 S609 H610	F205-I612 HydrophobicContact CB-CD1 4.18Å; F205-I612 HydrophobicContact CB-CG1 4.39Å; F205-I612 HydrophobicContact CD1-CD1 3.55Å; F205-I612 HydrophobicContact CD1-CG1 3.37Å; F205-I612 HydrophobicContact CE1-CD1 4.12Å; F205-I612 HydrophobicContact CE1-CG1 3.97Å; F205-I612 HydrophobicContact CG-CD1 3.94Å; F205-I612 HydrophobicContact CG-CG1 4.17Å; L206-I612 HydrophobicContact CD1-CG2 4.08Å; L206-I612 HydrophobicContact CD2-CB 4.03Å; L206-I612 HydrophobicContact CD2-CG1 4.11Å; L206-I612 HydrophobicContact CD2-CG2 4.43Å; L206-I612 HydrophobicContact CG-CB 4.21Å; L206-I612 HydrophobicContact CG-CG1 4.17Å; L206-I612 HydrophobicContact CG-CG2 4.13Å; L271-I612 HydrophobicContact CD1-CD1 3.52Å; L271-I612 HydrophobicContact CD2-CD1 4.18Å; R275-I612 PolarHBondContact NH2-O 3.48Å; S609-I612 WeakPolarHBondContact O-CB 3.24Å; S609-I612 PolarHBondContact O-N 3.32Å; H610-I612 PolarHBondContact O-N 3.36Å; H610-I612 VanDerWaalsContact O-N 3.09Å
613	G	87.3	Confident	95.7	Very high	67 Å²	67	21.2 Å²	21.2	69%	0.691	11%	0.113	S	C	*	.	H	α-helix	trans	-73	-32.4	-174.7	0	0	0	0	0	114.5
614	Y	92.7	Very high	95.7	Very high	65 Å²	65	21.2 Å²	21.2	26%	0.255	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.7	21	179.1	-76.7	-105.3	0	0	0	111.8	T507 E511 H610 A616 K617 Y618 Y621	T507-Y614 HydrophobicContact CG2-CD1 3.94Å; T507-Y614 HydrophobicContact CG2-CE1 3.79Å; E511-Y614 PolarHBondContact OE1-OH 3.36Å; E511-Y614 VanDerWaalsContact OE1-OH 3.11Å; H610-Y614 AromaticContact CD2-CD2 3.99Å; H610-Y614 CarbonylContact O-C 3.31Å; H610-Y614 VanDerWaalsContact O-C 3.23Å; H610-Y614 VanDerWaalsContact O-CA 3.27Å; H610-Y614 WeakPolarHBondContact O-CA 3.37Å; H610-Y614 WeakPolarHBondContact O-CB 3.41Å; H610-Y614 PolarHBondContact O-N 3.27Å; Y614-A616 PolarHBondContact O-N 3.04Å; Y614-K617 CarbonylContact O-C 3.07Å; Y614-K617 WeakPolarHBondContact O-CA 3.49Å; Y614-K617 WeakPolarHBondContact O-CB 3.43Å; Y614-K617 PolarHBondContact O-N 3.17Å; Y614-Y618 PolarHBondContact O-N 3.45Å; Y614-Y621 HydrophobicContact CD1-CE2 4.36Å; Y614-Y621 HydrophobicContact CE1-CE2 4.29Å
615	G	96	Very high	95.7	Very high	2 Å²	2	23.1 Å²	23.1	2%	0.021	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	127.3	-177	0	0	0	0	0	112.6	H574 H610 L611 K617	H574-G615 VanDerWaalsContact CE1-CA 3.44Å; H574-G615 WeakPolarHBondContact CE1-CA 3.36Å; H610-G615 PolarHBondContact O-N 3.22Å; L611-G615 WeakPolarHBondContact O-CA 3.35Å; G615-K617 PolarHBondContact O-N 2.8Å
616	A	97.6	Very high	95.7	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	65	4.4	-170.2	0	0	0	0	0	115.9	Y287 A291 L292 D570 Q571 H574 Y614	Y287-A616 HydrophobicContact CD1-CB 4.13Å; Y287-A616 HydrophobicContact CE1-CB 4.32Å; A291-A616 HydrophobicContact CB-CB 4.02Å; L292-A616 HydrophobicContact CD1-CB 3.8Å; L292-A616 WeakPolarHBondContact CD1-O 3.34Å; D570-A616 VanDerWaalsContact CG-N 3.28Å; D570-A616 PolarHBondContact OD1-N 2.8Å; D570-A616 WeakPolarHBondContact OD2-CA 3.5Å; D570-A616 PolarHBondContact OD2-N 2.85Å; Q571-A616 PolarHBondContact NE2-O 2.98Å; H574-A616 HydrophobicContact CB-CB 3.64Å; H574-A616 PolarHBondContact ND1-N 2.73Å; H574-A616 VanDerWaalsContact ND1-N 3.2Å; Y614-A616 PolarHBondContact O-N 3.04Å
617	K	97.4	Very high	95.8	Very high	55 Å²	55	23 Å²	23	24%	0.239	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.9	5.4	-172.6	-61.7	175.9	177.7	-176	0	112.8	A291 L292 T507 D570 Y614 G615 Y619 S620	A291-K617 WeakPolarHBondContact O-CE 3.22Å; L292-K617 HydrophobicContact CD1-CG 4.4Å; T507-K617 HydrophobicContact CG2-CB 4.3Å; T507-K617 HydrophobicContact CG2-CD 4.25Å; D570-K617 PolarHBondContact OD2-N 3.42Å; Y614-K617 CarbonylContact O-C 3.07Å; Y614-K617 WeakPolarHBondContact O-CA 3.49Å; Y614-K617 WeakPolarHBondContact O-CB 3.43Å; Y614-K617 PolarHBondContact O-N 3.17Å; G615-K617 PolarHBondContact O-N 2.8Å; K617-Y619 PolarHBondContact O-N 3.06Å; K617-Y619 VanDerWaalsContact O-N 3.12Å; K617-S620 WeakPolarHBondContact O-CB 3.42Å; K617-S620 PolarHBondContact O-N 3.46Å; K617-S620 PolarHBondContact O-OG 3.02Å
618	Y	97.6	Very high	95.9	Very high	20 Å²	20	21.2 Å²	21.2	8%	0.078	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-24.6	-176.6	-164.4	-95.9	0	0	0	113.6	Q563 Y566 A567 D570 F608 H610 Y614 S620 Y621	Q563-Y618 PolarHBondContact OE1-OH 3.14Å; Q563-Y618 VanDerWaalsContact OE1-OH 3.1Å; Y566-Y618 AromaticContact CD2-CE1 3.92Å; Y566-Y618 HydrophobicContact CD2-CE1 3.92Å; Y566-Y618 HydrophobicContact CG-CE1 4.15Å; A567-Y618 HydrophobicContact CB-CD1 4.22Å; D570-Y618 PolarHBondContact OD2-N 3.4Å; F608-Y618 HydrophobicContact CE2-CD2 4.1Å; F608-Y618 AromaticContact CE2-CE2 3.62Å; F608-Y618 HydrophobicContact CE2-CE2 3.62Å; F608-Y618 AromaticContact CE2-CZ 3.93Å; F608-Y618 HydrophobicContact CZ-CD1 4.15Å; F608-Y618 AromaticContact CZ-CD2 3.51Å; F608-Y618 HydrophobicContact CZ-CD2 3.51Å; F608-Y618 HydrophobicContact CZ-CE1 4.1Å; F608-Y618 AromaticContact CZ-CE2 3.45Å; F608-Y618 HydrophobicContact CZ-CE2 3.45Å; F608-Y618 VanDerWaalsContact CZ-CE2 3.45Å; F608-Y618 AromaticContact CZ-CG 3.85Å; F608-Y618 HydrophobicContact CZ-CG 3.85Å; F608-Y618 AromaticContact CZ-CZ 3.75Å; H610-Y618 HydrophobicContact CB-CD2 3.82Å; H610-Y618 HydrophobicContact CB-CE2 3.96Å; H610-Y618 AromaticContact CD2-CD2 3.9Å; H610-Y618 AromaticContact CD2-CE2 3.6Å; H610-Y618 AromaticContact CG-CE2 3.71Å; Y614-Y618 PolarHBondContact O-N 3.45Å; Y618-S620 PolarHBondContact O-N 2.99Å; Y618-S620 VanDerWaalsContact O-N 3.12Å; Y618-Y621 HydrophobicContact CD2-CD2 4.05Å; Y618-Y621 AromaticContact CD2-CE2 3.9Å; Y618-Y621 HydrophobicContact CD2-CE2 3.9Å; Y618-Y621 HydrophobicContact CE1-CD2 4.47Å; Y618-Y621 AromaticContact CE2-CD2 3.89Å; Y618-Y621 HydrophobicContact CE2-CD2 3.89Å; Y618-Y621 AromaticContact CE2-CE2 3.68Å; Y618-Y621 HydrophobicContact CE2-CE2 3.68Å; Y618-Y621 HydrophobicContact CG-CD2 4.44Å; Y618-Y621 PolarHBondContact O-N 3.36Å
619	Y	97.6	Very high	96	Very high	1 Å²	1	20.8 Å²	20.8	0%	0.004	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-21.1	173.1	81.1	-87.4	0	0	0	113.7	L292 T295 A297 V303 D508 K617 Y621 L622 M623	L292-Y619 HydrophobicContact CD1-CE1 4.35Å; L292-Y619 HydrophobicContact CD2-CE1 4.07Å; L292-Y619 HydrophobicContact CG-CE1 4.01Å; T295-Y619 PolarHBondContact OG1-OH 3.39Å; A297-Y619 HydrophobicContact CB-CE2 3.57Å; A297-Y619 VanDerWaalsContact CB-OH 3.31Å; A297-Y619 WeakPolarHBondContact CB-OH 3.24Å; V303-Y619 HydrophobicContact CB-CD1 4.38Å; V303-Y619 HydrophobicContact CB-CG 4.35Å; V303-Y619 HydrophobicContact CG1-CD1 3.75Å; V303-Y619 HydrophobicContact CG1-CD2 4.14Å; V303-Y619 HydrophobicContact CG1-CG 3.53Å; V303-Y619 HydrophobicContact CG2-CD1 3.66Å; V303-Y619 HydrophobicContact CG2-CD2 3.9Å; V303-Y619 HydrophobicContact CG2-CE1 3.59Å; V303-Y619 HydrophobicContact CG2-CE2 3.85Å; V303-Y619 HydrophobicContact CG2-CG 3.82Å; D508-Y619 HydrophobicContact CB-CE2 4.01Å; D508-Y619 PolarHBondContact OD2-OH 3.25Å; K617-Y619 PolarHBondContact O-N 3.06Å; K617-Y619 VanDerWaalsContact O-N 3.12Å; Y619-Y621 VanDerWaalsContact C-N 3.25Å; Y619-Y621 PolarHBondContact O-N 3.16Å; Y619-L622 PolarHBondContact O-N 2.88Å; Y619-M623 HydrophobicContact CD2-CB 4.19Å; Y619-M623 HydrophobicContact CD2-CE 4.03Å; Y619-M623 HydrophobicContact CD2-SD 4.43Å; Y619-M623 HydrophobicContact CE2-CB 4.34Å; Y619-M623 HydrophobicContact CE2-CE 3.85Å; Y619-M623 HydrophobicContact CE2-SD 3.85Å; Y619-M623 PolarHBondContact O-N 3.25Å; Y619-M623 VanDerWaalsContact O-N 3.08Å
620	S	96.3	Very high	96.2	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-52	-42.2	-179.9	51.5	0	0	0	0	112	K617 Y618 L622 M623 S624	K617-S620 WeakPolarHBondContact O-CB 3.42Å; K617-S620 PolarHBondContact O-N 3.46Å; K617-S620 PolarHBondContact O-OG 3.02Å; Y618-S620 PolarHBondContact O-N 2.99Å; Y618-S620 VanDerWaalsContact O-N 3.12Å; S620-L622 VanDerWaalsContact C-N 3.32Å; S620-L622 PolarHBondContact O-N 3.46Å; S620-M623 PolarHBondContact O-N 3.18Å; S620-M623 VanDerWaalsContact O-N 3.17Å; S620-S624 VanDerWaalsContact O-CB 3.3Å; S620-S624 WeakPolarHBondContact O-CB 3.47Å; S620-S624 PolarHBondContact O-N 2.67Å; S620-S624 PolarHBondContact O-OG 3.35Å
621	Y	95.4	Very high	96.5	Very high	47 Å²	47	17.1 Å²	17.1	18%	0.184	9%	0.09	C	C	.	.	H	α-helix	trans	-56	-43.4	177.6	-68.7	-63.3	0	0	0	113.1	E511 Y614 Y618 Y619 R625	E511-Y621 HydrophobicContact CG-CD1 4.15Å; E511-Y621 HydrophobicContact CG-CE1 4.19Å; Y614-Y621 HydrophobicContact CD1-CE2 4.36Å; Y614-Y621 HydrophobicContact CE1-CE2 4.29Å; Y618-Y621 HydrophobicContact CD2-CD2 4.05Å; Y618-Y621 AromaticContact CD2-CE2 3.9Å; Y618-Y621 HydrophobicContact CD2-CE2 3.9Å; Y618-Y621 HydrophobicContact CE1-CD2 4.47Å; Y618-Y621 AromaticContact CE2-CD2 3.89Å; Y618-Y621 HydrophobicContact CE2-CD2 3.89Å; Y618-Y621 AromaticContact CE2-CE2 3.68Å; Y618-Y621 HydrophobicContact CE2-CE2 3.68Å; Y618-Y621 HydrophobicContact CG-CD2 4.44Å; Y618-Y621 PolarHBondContact O-N 3.36Å; Y619-Y621 VanDerWaalsContact C-N 3.25Å; Y619-Y621 PolarHBondContact O-N 3.16Å; Y621-R625 VanDerWaalsContact O-CB 3.28Å; Y621-R625 WeakPolarHBondContact O-CB 3.42Å; Y621-R625 PolarHBondContact O-N 2.81Å; Y621-R625 VanDerWaalsContact O-N 3.08Å
622	L	97.6	Very high	96.6	Very high	3 Å²	3	18.1 Å²	18.1	2%	0.016	9%	0.094	C	C	.	.	H	α-helix	trans	-70.3	-43.3	177.7	-72.1	173.1	0	0	0	111.4	F306 L307 L310 T560 Q563 V564 Y619 S620 R625 A626 L683	F306-L622 HydrophobicContact CE1-CB 3.98Å; F306-L622 HydrophobicContact CZ-CB 4.19Å; L307-L622 HydrophobicContact CD2-CD1 3.88Å; L310-L622 HydrophobicContact CD2-CD1 4.27Å; T560-L622 HydrophobicContact CG2-CD2 4.07Å; Q563-L622 HydrophobicContact CB-CD1 4.24Å; Q563-L622 HydrophobicContact CB-CD2 4.01Å; Q563-L622 HydrophobicContact CB-CG 4.23Å; V564-L622 HydrophobicContact CG2-CD1 3.74Å; Y619-L622 PolarHBondContact O-N 2.88Å; S620-L622 VanDerWaalsContact C-N 3.32Å; S620-L622 PolarHBondContact O-N 3.46Å; L622-R625 PolarHBondContact O-N 2.97Å; L622-A626 PolarHBondContact O-N 3.46Å; L622-L683 HydrophobicContact CB-CD1 4.35Å; L622-L683 HydrophobicContact CD2-CD1 4.46Å
623	M	97.4	Very high	96.7	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-68.7	-43.2	-178.5	-171.5	166	-69.4	0	0	112.1	M296 A297 F306 D508 Y619 S620 R625 A626 V627 M676 F679	M296-M623 HydrophobicContact CB-SD 4.01Å; M296-M623 HydrophobicContact CE-CG 3.97Å; M296-M623 HydrophobicContact CE-SD 4.1Å; A297-M623 HydrophobicContact CB-CE 3.93Å; A297-M623 HydrophobicContact CB-SD 4.21Å; F306-M623 HydrophobicContact CD1-CE 4.46Å; F306-M623 HydrophobicContact CG-CE 4.34Å; D508-M623 HydrophobicContact CB-SD 4.43Å; Y619-M623 HydrophobicContact CD2-CB 4.19Å; Y619-M623 HydrophobicContact CD2-CE 4.03Å; Y619-M623 HydrophobicContact CD2-SD 4.43Å; Y619-M623 HydrophobicContact CE2-CB 4.34Å; Y619-M623 HydrophobicContact CE2-CE 3.85Å; Y619-M623 HydrophobicContact CE2-SD 3.85Å; Y619-M623 PolarHBondContact O-N 3.25Å; Y619-M623 VanDerWaalsContact O-N 3.08Å; S620-M623 PolarHBondContact O-N 3.18Å; S620-M623 VanDerWaalsContact O-N 3.17Å; M623-R625 VanDerWaalsContact C-N 3.33Å; M623-R625 PolarHBondContact O-N 2.74Å; M623-A626 WeakPolarHBondContact O-CB 3.45Å; M623-A626 PolarHBondContact O-N 3.24Å; M623-V627 WeakPolarHBondContact O-CG2 3.25Å; M623-V627 PolarHBondContact O-N 3.39Å; M623-M676 HydrophobicContact CE-CE 3.95Å; M623-M676 HydrophobicContact CE-SD 3.73Å; M623-F679 HydrophobicContact CG-CD2 4.38Å; M623-F679 HydrophobicContact CG-CE2 4.45Å; M623-F679 HydrophobicContact SD-CE2 4.49Å
624	S	97.2	Very high	97.2	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-64.8	-37.7	175.4	-57.1	0	0	0	0	111.7	D508 S620 A626 V627 A628	D508-S624 PolarHBondContact O-OG 3.43Å; S620-S624 VanDerWaalsContact O-CB 3.3Å; S620-S624 WeakPolarHBondContact O-CB 3.47Å; S620-S624 PolarHBondContact O-N 2.67Å; S620-S624 PolarHBondContact O-OG 3.35Å; S624-A626 VanDerWaalsContact C-N 3.34Å; S624-A626 PolarHBondContact O-N 2.84Å; S624-V627 PolarHBondContact O-N 3.4Å; S624-A628 WeakPolarHBondContact O-CB 3.39Å; S624-A628 PolarHBondContact O-N 3.33Å
625	R	97.4	Very high	97.4	Very high	73 Å²	73	20.1 Å²	20.1	28%	0.275	9%	0.088	S	C	.	.	H	α-helix	trans	-61	-42.9	171.8	-176.5	171.2	-69.4	125.9	3.4	111.9	I515 Y621 L622 M623 V627 A628 S629 L683	I515-R625 HydrophobicContact CD1-CB 4.15Å; I515-R625 HydrophobicContact CG2-CB 4.32Å; I515-R625 HydrophobicContact CG2-CG 4.28Å; Y621-R625 VanDerWaalsContact O-CB 3.28Å; Y621-R625 WeakPolarHBondContact O-CB 3.42Å; Y621-R625 PolarHBondContact O-N 2.81Å; Y621-R625 VanDerWaalsContact O-N 3.08Å; L622-R625 PolarHBondContact O-N 2.97Å; M623-R625 VanDerWaalsContact C-N 3.33Å; M623-R625 PolarHBondContact O-N 2.74Å; R625-V627 VanDerWaalsContact C-N 3.35Å; R625-V627 PolarHBondContact O-N 3.06Å; R625-A628 PolarHBondContact O-N 3.4Å; R625-S629 VanDerWaalsContact O-CB 3.26Å; R625-S629 WeakPolarHBondContact O-CB 3.43Å; R625-S629 PolarHBondContact O-N 3.02Å; R625-L683 HydrophobicContact CB-CD2 3.98Å; R625-L683 HydrophobicContact CG-CD2 3.77Å
626	A	98.1	Very high	97.5	Very high	0 Å²	0	20 Å²	20	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-59.4	-45.6	175.8	0	0	0	0	0	111.9	L622 M623 S624 S629 M630 F679 A682 L683	L622-A626 PolarHBondContact O-N 3.46Å; M623-A626 WeakPolarHBondContact O-CB 3.45Å; M623-A626 PolarHBondContact O-N 3.24Å; S624-A626 VanDerWaalsContact C-N 3.34Å; S624-A626 PolarHBondContact O-N 2.84Å; A626-S629 WeakPolarHBondContact O-CB 3.45Å; A626-S629 PolarHBondContact O-N 3.19Å; A626-M630 VanDerWaalsContact O-CG 3.28Å; A626-M630 WeakPolarHBondContact O-CG 3.38Å; A626-M630 PolarHBondContact O-N 3.43Å; A626-F679 HydrophobicContact CB-CB 3.73Å; A626-F679 HydrophobicContact CB-CD1 4.11Å; A626-F679 HydrophobicContact CB-CG 4.2Å; A626-F679 VanDerWaalsContact CB-O 3.31Å; A626-F679 WeakPolarHBondContact CB-O 3.36Å; A626-A682 HydrophobicContact CB-CB 4.37Å; A626-L683 HydrophobicContact CB-CD1 4.22Å; A626-L683 HydrophobicContact CB-CD2 4.13Å; A626-L683 HydrophobicContact CB-CG 3.85Å
627	V	98.3	Very high	97.4	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-62.4	-49.8	176.2	174.9	0	0	0	0	111	M296 V512 M623 S624 R625 S629 M630 V631 M653 V666 F679	M296-V627 HydrophobicContact CE-CG2 4.03Å; M296-V627 HydrophobicContact SD-CG2 4.33Å; V512-V627 HydrophobicContact CB-CG1 4.48Å; V512-V627 HydrophobicContact CG1-CB 4.34Å; V512-V627 HydrophobicContact CG1-CG1 3.71Å; V512-V627 HydrophobicContact CG2-CB 3.9Å; V512-V627 HydrophobicContact CG2-CG1 3.88Å; M623-V627 WeakPolarHBondContact O-CG2 3.25Å; M623-V627 PolarHBondContact O-N 3.39Å; S624-V627 PolarHBondContact O-N 3.4Å; R625-V627 VanDerWaalsContact C-N 3.35Å; R625-V627 PolarHBondContact O-N 3.06Å; V627-S629 VanDerWaalsContact C-N 3.29Å; V627-S629 PolarHBondContact O-N 3.11Å; V627-M630 PolarHBondContact O-N 3Å; V627-M630 VanDerWaalsContact O-N 3.14Å; V627-V631 HydrophobicContact CG1-CG2 4.37Å; V627-V631 WeakPolarHBondContact O-CG2 3.5Å; V627-V631 PolarHBondContact O-N 2.91Å; V627-M653 HydrophobicContact CG1-CE 4.27Å; V627-V666 HydrophobicContact CG1-CG1 4.09Å; V627-V666 HydrophobicContact CG1-CG2 3.66Å; V627-V666 HydrophobicContact CG2-CG2 4.26Å; V627-F679 HydrophobicContact CG2-CD1 4.25Å; V627-F679 HydrophobicContact CG2-CE1 3.58Å; V627-F679 HydrophobicContact CG2-CZ 3.91Å
628	A	98.2	Very high	97.3	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-58.9	-40.5	179.3	0	0	0	0	0	111.9	V512 I515 L516 Y519 S624 R625 V631 W632	V512-A628 HydrophobicContact CG1-CB 4.43Å; I515-A628 HydrophobicContact CB-CB 3.99Å; I515-A628 HydrophobicContact CG2-CB 3.7Å; L516-A628 HydrophobicContact CB-CB 4.32Å; Y519-A628 HydrophobicContact CE2-CB 4.16Å; S624-A628 WeakPolarHBondContact O-CB 3.39Å; S624-A628 PolarHBondContact O-N 3.33Å; R625-A628 PolarHBondContact O-N 3.4Å; A628-V631 PolarHBondContact O-N 3.32Å; A628-W632 VanDerWaalsContact O-CB 3.3Å; A628-W632 WeakPolarHBondContact O-CB 3.32Å; A628-W632 PolarHBondContact O-N 3.48Å
629	S	97.7	Very high	97.3	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-58.8	-46	173.5	-166.7	0	0	0	0	113	Y519 R625 A626 V627 W632 K633 E686	Y519-S629 WeakPolarHBondContact OH-CB 3.37Å; Y519-S629 PolarHBondContact OH-OG 2.89Å; R625-S629 VanDerWaalsContact O-CB 3.26Å; R625-S629 WeakPolarHBondContact O-CB 3.43Å; R625-S629 PolarHBondContact O-N 3.02Å; A626-S629 WeakPolarHBondContact O-CB 3.45Å; A626-S629 PolarHBondContact O-N 3.19Å; V627-S629 VanDerWaalsContact C-N 3.29Å; V627-S629 PolarHBondContact O-N 3.11Å; S629-W632 PolarHBondContact O-N 2.93Å; S629-K633 WeakPolarHBondContact O-CB 3.21Å; S629-K633 VanDerWaalsContact O-CG 3.29Å; S629-K633 WeakPolarHBondContact O-CG 3.43Å; S629-K633 PolarHBondContact O-N 2.91Å; S629-K633 PolarHBondContact OG-NZ 3.33Å; S629-E686 WeakPolarHBondContact CB-OE1 3.37Å; S629-E686 WeakPolarHBondContact OG-CG 3.41Å; S629-E686 PolarHBondContact OG-OE1 3.34Å
630	M	98.3	Very high	97.3	Very high	12 Å²	12	30.4 Å²	30.4	6%	0.059	14%	0.142	C	C	.	.	H	α-helix	trans	-65.6	-44.3	178.5	-69.4	175.5	65	0	0	110.9	A626 V627 K633 Q634 L670 P674 D678 F679 A682	A626-M630 VanDerWaalsContact O-CG 3.28Å; A626-M630 WeakPolarHBondContact O-CG 3.38Å; A626-M630 PolarHBondContact O-N 3.43Å; V627-M630 PolarHBondContact O-N 3Å; V627-M630 VanDerWaalsContact O-N 3.14Å; M630-K633 PolarHBondContact O-N 3.37Å; M630-Q634 VanDerWaalsContact O-CB 3.22Å; M630-Q634 WeakPolarHBondContact O-CB 3.33Å; M630-Q634 PolarHBondContact O-N 3.19Å; M630-L670 HydrophobicContact CB-CD1 4.09Å; M630-L670 HydrophobicContact CB-CD2 4.27Å; M630-L670 HydrophobicContact CE-CD1 3.8Å; M630-P674 HydrophobicContact CE-CB 3.69Å; M630-P674 HydrophobicContact SD-CB 4.38Å; M630-D678 HydrophobicContact CE-CB 4.01Å; M630-D678 HydrophobicContact SD-CB 4.31Å; M630-F679 HydrophobicContact SD-CD1 3.63Å; M630-F679 HydrophobicContact SD-CE1 4.01Å; M630-A682 HydrophobicContact CG-CB 3.55Å; M630-A682 HydrophobicContact SD-CB 4.06Å
631	V	98.4	Very high	97.3	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-60.8	-46.8	175.3	172.6	0	0	0	0	110.5	L516 V627 A628 C635 F636 M653 M669 L670	L516-V631 HydrophobicContact CD1-CB 4.44Å; L516-V631 HydrophobicContact CD1-CG1 4.08Å; L516-V631 HydrophobicContact CD2-CG1 3.9Å; V627-V631 HydrophobicContact CG1-CG2 4.37Å; V627-V631 WeakPolarHBondContact O-CG2 3.5Å; V627-V631 PolarHBondContact O-N 2.91Å; A628-V631 PolarHBondContact O-N 3.32Å; V631-C635 WeakPolarHBondContact O-CB 3.31Å; V631-C635 PolarHBondContact O-N 2.69Å; V631-F636 HydrophobicContact CG1-CD2 4.08Å; V631-F636 HydrophobicContact CG1-CE2 3.79Å; V631-M653 HydrophobicContact CG2-CE 4.42Å; V631-M653 HydrophobicContact CG2-SD 4.25Å; V631-M669 HydrophobicContact CG1-CE 4.04Å; V631-M669 HydrophobicContact CG1-CG 4.24Å; V631-M669 HydrophobicContact CG2-CG 4.03Å; V631-L670 HydrophobicContact CG2-CD2 3.92Å; V631-L670 HydrophobicContact CG2-CG 4.47Å
632	W	98	Very high	97.5	Very high	22 Å²	22	31.8 Å²	31.8	8%	0.083	15%	0.153	C	C	.	.	I	π-helix	trans	-57.3	-56.4	176.5	177.6	-105.7	0	0	0	111.7	L516 Y519 F520 D523 A628 S629 Q634 C635 F636 V637 P640	L516-W632 HydrophobicContact CD1-CB 4.14Å; L516-W632 HydrophobicContact CD1-CE3 4.31Å; Y519-W632 VanDerWaalsContact CB-CE3 3.42Å; Y519-W632 HydrophobicContact CD1-CB 4.06Å; Y519-W632 AromaticContact CD1-CD1 3.52Å; Y519-W632 AromaticContact CD1-CD2 3.92Å; Y519-W632 HydrophobicContact CD1-CD2 3.92Å; Y519-W632 AromaticContact CD1-CG 3.56Å; Y519-W632 HydrophobicContact CD1-CG 3.56Å; Y519-W632 AromaticContact CD1-NE1 3.85Å; Y519-W632 HydrophobicContact CD2-CB 4.34Å; Y519-W632 HydrophobicContact CE1-CB 4.43Å; Y519-W632 AromaticContact CE1-CD1 3.96Å; Y519-W632 HydrophobicContact CE1-CG 4.2Å; Y519-W632 HydrophobicContact CG-CB 4.01Å; Y519-W632 AromaticContact CG-CD2 3.93Å; Y519-W632 HydrophobicContact CG-CD2 3.93Å; Y519-W632 HydrophobicContact CG-CE3 4.26Å; Y519-W632 AromaticContact CG-CG 3.78Å; Y519-W632 HydrophobicContact CG-CG 3.78Å; F520-W632 HydrophobicContact CD1-CH2 4.13Å; F520-W632 AromaticContact CD1-CZ3 3.52Å; F520-W632 HydrophobicContact CD1-CZ3 3.52Å; F520-W632 HydrophobicContact CD2-CZ3 4.3Å; F520-W632 HydrophobicContact CE1-CE3 4.37Å; F520-W632 HydrophobicContact CE1-CH2 4.39Å; F520-W632 AromaticContact CE1-CZ3 3.54Å; F520-W632 HydrophobicContact CE1-CZ3 3.54Å; F520-W632 HydrophobicContact CE2-CZ3 4.39Å; F520-W632 AromaticContact CG-CZ3 3.89Å; F520-W632 HydrophobicContact CG-CZ3 3.89Å; F520-W632 HydrophobicContact CZ-CE3 4.45Å; F520-W632 HydrophobicContact CZ-CZ3 4.02Å; D523-W632 HydrophobicContact CB-CH2 3.76Å; D523-W632 HydrophobicContact CB-CZ2 3.96Å; A628-W632 VanDerWaalsContact O-CB 3.3Å; A628-W632 WeakPolarHBondContact O-CB 3.32Å; A628-W632 PolarHBondContact O-N 3.48Å; S629-W632 PolarHBondContact O-N 2.93Å; W632-Q634 VanDerWaalsContact C-N 3.33Å; W632-Q634 PolarHBondContact O-N 3.19Å; W632-C635 PolarHBondContact O-N 3.38Å; W632-F636 HydrophobicContact CD2-CB 4.26Å; W632-F636 HydrophobicContact CE3-CB 3.59Å; W632-F636 HydrophobicContact CE3-CG 4.47Å; W632-F636 HydrophobicContact CZ3-CB 3.8Å; W632-F636 CarbonylContact O-C 3.44Å; W632-F636 PolarHBondContact O-N 3.15Å; W632-V637 PolarHBondContact O-N 3.39Å; W632-P640 HydrophobicContact CH2-CB 3.9Å; W632-P640 HydrophobicContact CZ3-CB 4.32Å
633	K	96.7	Very high	97.5	Very high	80 Å²	80	35 Å²	35	35%	0.348	17%	0.165	S	C	.	.	I	π-helix	trans	-62.1	-37.7	-176.8	-74.3	169.8	-179.4	155.4	0	112.8	S629 M630 V637 A682 S685	S629-K633 WeakPolarHBondContact O-CB 3.21Å; S629-K633 VanDerWaalsContact O-CG 3.29Å; S629-K633 WeakPolarHBondContact O-CG 3.43Å; S629-K633 PolarHBondContact O-N 2.91Å; S629-K633 PolarHBondContact OG-NZ 3.33Å; M630-K633 PolarHBondContact O-N 3.37Å; K633-V637 WeakPolarHBondContact O-CG1 3.45Å; K633-A682 PolarHBondContact NZ-O 2.85Å; K633-S685 PolarHBondContact NZ-OG 3.41Å
634	Q	96.4	Very high	97.5	Very high	94 Å²	94	40.8 Å²	40.8	44%	0.439	20%	0.196	S	C	.	.	I	π-helix	trans	-84.4	-33	-176.5	-172.9	173.7	-29.3	0	0	112.7	M630 W632 L670	M630-Q634 VanDerWaalsContact O-CB 3.22Å; M630-Q634 WeakPolarHBondContact O-CB 3.33Å; M630-Q634 PolarHBondContact O-N 3.19Å; W632-Q634 VanDerWaalsContact C-N 3.33Å; W632-Q634 PolarHBondContact O-N 3.19Å; Q634-L670 HydrophobicContact CB-CD2 4.35Å; Q634-L670 PolarHBondContact NE2-O 2.75Å
635	C	97.3	Very high	97.5	Very high	14 Å²	14	42.4 Å²	42.4	10%	0.095	20%	0.204	C	C	.	.	I	π-helix	trans	-116.3	-29.6	-165.8	-54.8	0	0	0	0	114.1	V631 W632 M645 M669	V631-C635 WeakPolarHBondContact O-CB 3.31Å; V631-C635 PolarHBondContact O-N 2.69Å; W632-C635 PolarHBondContact O-N 3.38Å; C635-M645 HydrophobicContact CB-CB 4.41Å; C635-M645 HydrophobicContact CB-CG 4.27Å; C635-M645 HydrophobicContact CB-SD 4.13Å; C635-M645 WeakPolarHBondContact O-CG 3.43Å; C635-M669 HydrophobicContact CB-CE 3.76Å
636	F	98	Very high	97.6	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.191	C	C	.	.	I	π-helix	trans	-123.1	-18.5	-169	-63.4	-71	0	0	0	114.4	L383 L516 F520 V631 W632 Q638 D639 P640 M645 M669	L383-F636 HydrophobicContact CD2-CE1 3.99Å; L516-F636 HydrophobicContact CD1-CD2 4.39Å; L516-F636 HydrophobicContact CD2-CE2 4.14Å; F520-F636 HydrophobicContact CE1-CB 4.18Å; F520-F636 AromaticContact CE1-CD1 3.97Å; F520-F636 HydrophobicContact CE1-CD1 3.97Å; F520-F636 HydrophobicContact CE1-CG 4.08Å; F520-F636 HydrophobicContact CZ-CB 4.17Å; F520-F636 AromaticContact CZ-CD1 3.65Å; F520-F636 HydrophobicContact CZ-CD1 3.65Å; F520-F636 AromaticContact CZ-CD2 4Å; F520-F636 HydrophobicContact CZ-CD2 4Å; F520-F636 AromaticContact CZ-CE1 3.96Å; F520-F636 HydrophobicContact CZ-CE1 3.96Å; F520-F636 HydrophobicContact CZ-CE2 4.28Å; F520-F636 AromaticContact CZ-CG 3.66Å; F520-F636 HydrophobicContact CZ-CG 3.66Å; F520-F636 HydrophobicContact CZ-CZ 4.27Å; V631-F636 HydrophobicContact CG1-CD2 4.08Å; V631-F636 HydrophobicContact CG1-CE2 3.79Å; W632-F636 HydrophobicContact CD2-CB 4.26Å; W632-F636 HydrophobicContact CE3-CB 3.59Å; W632-F636 HydrophobicContact CE3-CG 4.47Å; W632-F636 HydrophobicContact CZ3-CB 3.8Å; W632-F636 CarbonylContact O-C 3.44Å; W632-F636 PolarHBondContact O-N 3.15Å; F636-Q638 VanDerWaalsContact C-N 3.29Å; F636-Q638 PolarHBondContact O-N 3.46Å; F636-D639 CarbonylContact O-C 3.56Å; F636-D639 PolarHBondContact O-N 2.89Å; F636-P640 WeakPolarHBondContact O-CA 3.41Å; F636-M645 HydrophobicContact CD1-CB 4.23Å; F636-M645 HydrophobicContact CE1-CB 3.61Å; F636-M645 HydrophobicContact CZ-CB 3.94Å; F636-M669 HydrophobicContact CE2-CE 4Å; F636-M669 HydrophobicContact CZ-CE 4.24Å
637	V	95.8	Very high	97.6	Very high	52 Å²	52	41.4 Å²	41.4	32%	0.315	20%	0.202	S	C	.	.	S	Bend	trans	-61.7	-35	-176.4	76.4	0	0	0	0	113.1	R525 W632 K633	R525-V637 PolarHBondContact NH1-O 3.02Å; R525-V637 PolarHBondContact NH2-O 3.1Å; W632-V637 PolarHBondContact O-N 3.39Å; K633-V637 WeakPolarHBondContact O-CG1 3.45Å
638	Q	95.7	Very high	97.6	Very high	168 Å²	168	44.9 Å²	44.9	79%	0.785	22%	0.216	S	C	*	.	S	Bend	trans	-78.1	-39.7	179.3	-65.6	-58.5	-38.2	0	0	111.6	R525 F636	R525-Q638 PolarHBondContact NH1-O 3.05Å; F636-Q638 VanDerWaalsContact C-N 3.29Å; F636-Q638 PolarHBondContact O-N 3.46Å
639	D	97.5	Very high	97.6	Very high	71 Å²	71	45 Å²	45	38%	0.38	22%	0.216	S	C	.	.			trans	-144.6	98.3	178	176.6	14.6	0	0	0	109.4	F636 L641 N642	F636-D639 CarbonylContact O-C 3.56Å; F636-D639 PolarHBondContact O-N 2.89Å; D639-L641 PolarHBondContact O-N 2.98Å; D639-L641 PolarHBondContact OD1-N 3.19Å; D639-N642 HydrophobicContact CB-CB 4.13Å; D639-N642 WeakPolarHBondContact O-CB 3.33Å; D639-N642 PolarHBondContact O-N 3.08Å; D639-N642 WeakPolarHBondContact OD2-CA 3.28Å; D639-N642 WeakPolarHBondContact OD2-CB 3.26Å; D639-N642 PolarHBondContact OD2-ND2 3.28Å
640	P	97.4	Very high	97.6	Very high	2 Å²	2	45.8 Å²	45.8	1%	0.013	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-8.3	-175.1	28.9	-34.9	0	0	0	112.1	F520 R525 V526 W632 F636	F520-P640 HydrophobicContact CD1-CB 4.18Å; F520-P640 HydrophobicContact CE1-CB 4.08Å; F520-P640 WeakPolarHBondContact CE1-O 3.49Å; R525-P640 HydrophobicContact CB-CG 4.1Å; V526-P640 HydrophobicContact CG2-CB 3.9Å; V526-P640 HydrophobicContact CG2-CG 4.05Å; W632-P640 HydrophobicContact CH2-CB 3.9Å; W632-P640 HydrophobicContact CZ3-CB 4.32Å; F636-P640 WeakPolarHBondContact O-CA 3.41Å
641	L	97.3	Very high	97.6	Very high	33 Å²	33	51.4 Å²	51.4	17%	0.173	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.8	18.2	-179.6	-58	172	0	0	0	111.4	L379 Q382 V526 D639 R643	L379-L641 HydrophobicContact CD1-CD2 3.76Å; Q382-L641 HydrophobicContact CB-CB 4.49Å; Q382-L641 HydrophobicContact CB-CD2 4.41Å; V526-L641 HydrophobicContact CG2-CD2 4.24Å; D639-L641 PolarHBondContact O-N 2.98Å; D639-L641 PolarHBondContact OD1-N 3.19Å; L641-R643 PolarHBondContact O-N 3.48Å; L641-R643 VanDerWaalsContact O-N 3.07Å
642	N	98	Very high	97.5	Very high	44 Å²	44	53 Å²	53	24%	0.235	25%	0.247	C	C	.	.			trans	-66.6	107.3	-177.3	-167.4	-72.8	0	0	0	111.5	D639 D644 M645 G646	D639-N642 HydrophobicContact CB-CB 4.13Å; D639-N642 WeakPolarHBondContact O-CB 3.33Å; D639-N642 PolarHBondContact O-N 3.08Å; D639-N642 WeakPolarHBondContact OD2-CA 3.28Å; D639-N642 WeakPolarHBondContact OD2-CB 3.26Å; D639-N642 PolarHBondContact OD2-ND2 3.28Å; N642-D644 VanDerWaalsContact C-N 3.33Å; N642-D644 PolarHBondContact O-N 3.15Å; N642-D644 WeakPolarHBondContact OD1-CB 3.29Å; N642-D644 PolarHBondContact OD1-N 3.42Å; N642-M645 HydrophobicContact CB-CB 4.12Å; N642-M645 HydrophobicContact CB-CG 4.17Å; N642-M645 PolarHBondContact O-N 2.99Å; N642-M645 WeakPolarHBondContact OD1-CG 3.42Å; N642-M645 PolarHBondContact OD1-N 2.95Å; N642-G646 PolarHBondContact O-N 3.41Å
643	R	97.6	Very high	97.5	Very high	71 Å²	71	51.9 Å²	51.9	27%	0.268	24%	0.243	S	C	.	.	H	α-helix	trans	-59.1	-41.2	-179.9	-178.9	64.7	-170.7	-106	-2.5	112.6	Q382 L383 Y384 E411 L641 M645 G646 E647	Q382-R643 WeakPolarHBondContact O-CB 3.35Å; Q382-R643 WeakPolarHBondContact O-CD 3.36Å; L383-R643 WeakPolarHBondContact O-CD 3.32Å; L383-R643 PolarHBondContact O-NE 3.38Å; Y384-R643 VanDerWaalsContact C-CZ 3.42Å; Y384-R643 VanDerWaalsContact C-NH2 3.28Å; Y384-R643 PolarHBondContact O-NH2 2.93Å; E411-R643 IonicContact OE1-CZ 2.88Å; E411-R643 VanDerWaalsContact OE1-CZ 3.28Å; E411-R643 IonicContact OE1-NH1 3.38Å; E411-R643 PolarHBondContact OE1-NH1 3.46Å; E411-R643 IonicContact OE1-NH2 2.89Å; E411-R643 PolarHBondContact OE1-NH2 3.06Å; E411-R643 IonicContact OE2-NH1 2.93Å; L641-R643 PolarHBondContact O-N 3.48Å; L641-R643 VanDerWaalsContact O-N 3.07Å; R643-M645 VanDerWaalsContact C-N 3.31Å; R643-M645 PolarHBondContact O-N 2.98Å; R643-G646 PolarHBondContact O-N 3.07Å; R643-G646 VanDerWaalsContact O-N 3.16Å; R643-E647 HydrophobicContact CG-CG 4.42Å; R643-E647 IonicContact CZ-OE1 2.59Å; R643-E647 IonicContact NE-OE1 3.39Å; R643-E647 PolarHBondContact NE-OE1 2.86Å; R643-E647 IonicContact NH2-OE1 3.99Å; R643-E647 PolarHBondContact NH2-OE1 3.02Å; R643-E647 PolarHBondContact O-N 3.44Å
644	D	98.3	Very high	97.6	Very high	120 Å²	120	48.2 Å²	48.2	64%	0.642	23%	0.227	S	C	*	.	H	α-helix	trans	-64.6	-37.7	-178.1	-67.9	-23.5	0	0	0	111.7	N642 R648	N642-D644 VanDerWaalsContact C-N 3.33Å; N642-D644 PolarHBondContact O-N 3.15Å; N642-D644 WeakPolarHBondContact OD1-CB 3.29Å; N642-D644 PolarHBondContact OD1-N 3.42Å; D644-R648 WeakPolarHBondContact O-CB 2.94Å; D644-R648 PolarHBondContact O-N 3.49Å
645	M	98.2	Very high	97.6	Very high	35 Å²	35	45 Å²	45	17%	0.172	22%	0.216	C	C	.	.	H	α-helix	trans	-72.1	-36.7	173.5	-66.2	-58.6	103.3	0	0	112	C635 F636 N642 R643 R648 Y649	C635-M645 HydrophobicContact CB-CB 4.41Å; C635-M645 HydrophobicContact CB-CG 4.27Å; C635-M645 HydrophobicContact CB-SD 4.13Å; C635-M645 WeakPolarHBondContact O-CG 3.43Å; F636-M645 HydrophobicContact CD1-CB 4.23Å; F636-M645 HydrophobicContact CE1-CB 3.61Å; F636-M645 HydrophobicContact CZ-CB 3.94Å; N642-M645 HydrophobicContact CB-CB 4.12Å; N642-M645 HydrophobicContact CB-CG 4.17Å; N642-M645 PolarHBondContact O-N 2.99Å; N642-M645 WeakPolarHBondContact OD1-CG 3.42Å; N642-M645 PolarHBondContact OD1-N 2.95Å; R643-M645 VanDerWaalsContact C-N 3.31Å; R643-M645 PolarHBondContact O-N 2.98Å; M645-R648 PolarHBondContact O-N 2.84Å; M645-Y649 WeakPolarHBondContact O-CB 3.44Å; M645-Y649 PolarHBondContact O-N 3.36Å
646	G	98.4	Very high	97.6	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-59.6	-46	171.8	0	0	0	0	0	112.7	L383 Y384 N642 R643 Y649 R650	L383-G646 CarbonylContact O-C 3.58Å; L383-G646 WeakPolarHBondContact O-CA 3.32Å; Y384-G646 WeakPolarHBondContact CE1-O 3.33Å; N642-G646 PolarHBondContact O-N 3.41Å; R643-G646 PolarHBondContact O-N 3.07Å; R643-G646 VanDerWaalsContact O-N 3.16Å; G646-Y649 WeakPolarHBondContact O-CB 3.49Å; G646-Y649 PolarHBondContact O-N 2.98Å; G646-R650 WeakPolarHBondContact O-CB 3.32Å; G646-R650 PolarHBondContact O-N 3.49Å
647	E	97.9	Very high	97.5	Very high	52 Å²	52	46.2 Å²	46.2	24%	0.243	22%	0.22	C	C	.	.	H	α-helix	trans	-68	-36	176.1	-73.7	-55.5	149.3	0	0	113	R643 R651	R643-E647 HydrophobicContact CG-CG 4.42Å; R643-E647 IonicContact CZ-OE1 2.59Å; R643-E647 IonicContact NE-OE1 3.39Å; R643-E647 PolarHBondContact NE-OE1 2.86Å; R643-E647 IonicContact NH2-OE1 3.99Å; R643-E647 PolarHBondContact NH2-OE1 3.02Å; R643-E647 PolarHBondContact O-N 3.44Å; E647-R651 VanDerWaalsContact O-CB 3.31Å; E647-R651 WeakPolarHBondContact O-CB 3.27Å; E647-R651 PolarHBondContact O-N 2.94Å
648	R	98.3	Very high	97.4	Very high	73 Å²	73	44.1 Å²	44.1	28%	0.275	21%	0.209	S	C	.	.	H	α-helix	trans	-62.5	-47.1	170.7	-176	-176.5	-60.9	-162.8	-1.9	110.7	D644 M645 R650 R651 E652 M669	D644-R648 WeakPolarHBondContact O-CB 2.94Å; D644-R648 PolarHBondContact O-N 3.49Å; M645-R648 PolarHBondContact O-N 2.84Å; R648-R650 VanDerWaalsContact C-N 3.32Å; R648-R650 PolarHBondContact O-N 2.92Å; R648-R651 PolarHBondContact O-N 2.77Å; R648-E652 HydrophobicContact CG-CG 3.77Å; R648-E652 WeakPolarHBondContact O-CB 3.25Å; R648-E652 VanDerWaalsContact O-CG 3.32Å; R648-E652 WeakPolarHBondContact O-CG 3.41Å; R648-E652 PolarHBondContact O-N 2.88Å; R648-M669 HydrophobicContact CB-SD 4.35Å; R648-M669 HydrophobicContact CG-SD 3.82Å
649	Y	98.5	Very high	97.4	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.008	17%	0.174	C	C	.	.	H	α-helix	trans	-60.2	-44.5	178.9	179.3	-118.8	0	0	0	111.6	Y384 P513 L516 M645 G646 R651 M653 L654 M669	Y384-Y649 HydrophobicContact CE1-CD1 4.08Å; Y384-Y649 VanDerWaalsContact OH-CD1 3.29Å; Y384-Y649 WeakPolarHBondContact OH-CD1 3.47Å; Y384-Y649 WeakPolarHBondContact OH-CE1 3.21Å; P513-Y649 WeakPolarHBondContact CA-OH 3.5Å; P513-Y649 VanDerWaalsContact CB-OH 3.28Å; P513-Y649 WeakPolarHBondContact CB-OH 3.45Å; P513-Y649 WeakPolarHBondContact CG-OH 3.19Å; L516-Y649 HydrophobicContact CD2-CD1 4.27Å; L516-Y649 HydrophobicContact CD2-CD2 4.25Å; L516-Y649 HydrophobicContact CD2-CE1 3.83Å; L516-Y649 HydrophobicContact CD2-CE2 3.82Å; L516-Y649 HydrophobicContact CD2-CG 4.46Å; M645-Y649 WeakPolarHBondContact O-CB 3.44Å; M645-Y649 PolarHBondContact O-N 3.36Å; G646-Y649 WeakPolarHBondContact O-CB 3.49Å; G646-Y649 PolarHBondContact O-N 2.98Å; Y649-R651 PolarHBondContact O-N 3Å; Y649-M653 HydrophobicContact CD2-CB 3.92Å; Y649-M653 HydrophobicContact CD2-CG 4.13Å; Y649-M653 HydrophobicContact CD2-SD 3.47Å; Y649-M653 WeakPolarHBondContact CD2-SD 3.31Å; Y649-M653 HydrophobicContact CE2-CB 3.78Å; Y649-M653 HydrophobicContact CE2-CE 3.93Å; Y649-M653 HydrophobicContact CE2-CG 4.16Å; Y649-M653 HydrophobicContact CE2-SD 3.39Å; Y649-M653 WeakPolarHBondContact CE2-SD 3.26Å; Y649-M653 WeakPolarHBondContact O-CB 3.44Å; Y649-M653 PolarHBondContact O-N 2.66Å; Y649-L654 HydrophobicContact CD1-CD1 3.92Å; Y649-L654 HydrophobicContact CD1-CG 4.14Å; Y649-L654 HydrophobicContact CE1-CD1 3.63Å; Y649-L654 HydrophobicContact CE1-CD2 3.83Å; Y649-L654 HydrophobicContact CE1-CG 3.74Å; Y649-L654 PolarHBondContact O-N 2.66Å; Y649-M669 VanDerWaalsContact CA-SD 3.6Å; Y649-M669 HydrophobicContact CD2-CE 4.39Å; Y649-M669 HydrophobicContact CD2-SD 4.24Å
650	R	97.9	Very high	97.3	Very high	16 Å²	16	35.5 Å²	35.5	6%	0.06	17%	0.167	C	C	.	.	I	π-helix	trans	-56	-52.1	172.6	-178.5	-178	176.3	170.3	-3.6	111.6	Y384 H410 E413 L492 G646 R648 L654 A655	Y384-R650 HydrophobicContact CD1-CB 4.17Å; Y384-R650 HydrophobicContact CE1-CB 4.46Å; H410-R650 PolarHBondContact CD2-NH1 2.95Å; H410-R650 PolarHBondContact NE2-NH1 2.71Å; E413-R650 IonicContact OE1-CZ 3.51Å; E413-R650 IonicContact OE1-NH1 2.82Å; E413-R650 IonicContact OE1-NH2 3.37Å; E413-R650 PolarHBondContact OE1-NH2 3.18Å; E413-R650 IonicContact OE2-NH2 2.7Å; E413-R650 PolarHBondContact OE2-NH2 3.38Å; L492-R650 HydrophobicContact CB-CG 4.39Å; L492-R650 HydrophobicContact CD2-CG 4.39Å; G646-R650 WeakPolarHBondContact O-CB 3.32Å; G646-R650 PolarHBondContact O-N 3.49Å; R648-R650 VanDerWaalsContact C-N 3.32Å; R648-R650 PolarHBondContact O-N 2.92Å; R650-L654 PolarHBondContact O-N 3.42Å; R650-A655 VanDerWaalsContact O-CB 3.26Å; R650-A655 WeakPolarHBondContact O-CB 3.22Å; R650-A655 PolarHBondContact O-N 2.93Å
651	R	97.6	Very high	97.2	Very high	131 Å²	131	38.3 Å²	38.3	49%	0.494	18%	0.18	S	C	.	.	I	π-helix	trans	-69.3	-45.4	-175.5	-175.3	-176	64.7	-114.1	-3.6	113.3	E647 R648 Y649 H656	E647-R651 VanDerWaalsContact O-CB 3.31Å; E647-R651 WeakPolarHBondContact O-CB 3.27Å; E647-R651 PolarHBondContact O-N 2.94Å; R648-R651 PolarHBondContact O-N 2.77Å; Y649-R651 PolarHBondContact O-N 3Å; R651-H656 PolarHBondContact O-NE2 2.96Å; R651-H656 VanDerWaalsContact O-NE2 3.08Å
652	E	97.9	Very high	97.1	Very high	32 Å²	32	36.9 Å²	36.9	15%	0.15	17%	0.173	C	C	.	.	I	π-helix	trans	-85.9	-24.7	-170.4	-59.8	-58.3	153.6	0	0	113.4	R648 H656 K660 M665	R648-E652 HydrophobicContact CG-CG 3.77Å; R648-E652 WeakPolarHBondContact O-CB 3.25Å; R648-E652 VanDerWaalsContact O-CG 3.32Å; R648-E652 WeakPolarHBondContact O-CG 3.41Å; R648-E652 PolarHBondContact O-N 2.88Å; E652-H656 PolarHBondContact O-CD2 3.44Å; E652-K660 IonicContact OE2-NZ 3.19Å; E652-M665 WeakPolarHBondContact O-CA 3.38Å; E652-M665 WeakPolarHBondContact O-CB 3.35Å
653	M	97.6	Very high	97	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	16%	0.164	C	C	.	.	I	π-helix	trans	-121.6	-57	-173.7	-66.3	-179.8	78.2	0	0	112.7	F509 V512 V627 V631 Y649 M665 V666 M669	F509-M653 HydrophobicContact CD2-CE 4.47Å; F509-M653 HydrophobicContact CE2-CE 3.46Å; F509-M653 VanDerWaalsContact CE2-CE 3.46Å; F509-M653 HydrophobicContact CE2-CG 4.46Å; F509-M653 HydrophobicContact CZ-CB 3.93Å; F509-M653 HydrophobicContact CZ-CE 3.89Å; F509-M653 HydrophobicContact CZ-CG 4.3Å; V512-M653 HydrophobicContact CG1-CE 3.64Å; V627-M653 HydrophobicContact CG1-CE 4.27Å; V631-M653 HydrophobicContact CG2-CE 4.42Å; V631-M653 HydrophobicContact CG2-SD 4.25Å; Y649-M653 HydrophobicContact CD2-CB 3.92Å; Y649-M653 HydrophobicContact CD2-CG 4.13Å; Y649-M653 HydrophobicContact CD2-SD 3.47Å; Y649-M653 WeakPolarHBondContact CD2-SD 3.31Å; Y649-M653 HydrophobicContact CE2-CB 3.78Å; Y649-M653 HydrophobicContact CE2-CE 3.93Å; Y649-M653 HydrophobicContact CE2-CG 4.16Å; Y649-M653 HydrophobicContact CE2-SD 3.39Å; Y649-M653 WeakPolarHBondContact CE2-SD 3.26Å; Y649-M653 WeakPolarHBondContact O-CB 3.44Å; Y649-M653 PolarHBondContact O-N 2.66Å; M653-M665 HydrophobicContact CG-CB 4.28Å; M653-V666 HydrophobicContact CE-CG2 4.41Å; M653-M669 HydrophobicContact CG-CB 3.91Å; M653-M669 HydrophobicContact CG-CG 4.48Å; M653-M669 HydrophobicContact SD-CB 3.39Å; M653-M669 WeakPolarHBondContact SD-CB 3.38Å; M653-M669 HydrophobicContact SD-CG 3.55Å; M653-M669 VanDerWaalsContact SD-CG 3.55Å; M653-M669 HydrophobicContact SD-SD 4.43Å
654	L	97.8	Very high	96.9	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.01	17%	0.171	C	C	.	.	I	π-helix	trans	-75.7	-37.5	-171	-57.3	-178.8	0	0	0	114	H489 L492 G493 P513 Y649 R650 H656 G657	H489-L654 HydrophobicContact CB-CD2 4.11Å; L492-L654 HydrophobicContact CB-CB 4.1Å; L492-L654 HydrophobicContact CB-CD1 4.21Å; L492-L654 HydrophobicContact CD1-CD1 3.52Å; L492-L654 HydrophobicContact CG-CD1 4.49Å; G493-L654 VanDerWaalsContact CA-O 3.29Å; G493-L654 WeakPolarHBondContact CA-O 3.43Å; P513-L654 HydrophobicContact CB-CD2 3.86Å; P513-L654 HydrophobicContact CG-CD2 3.65Å; Y649-L654 HydrophobicContact CD1-CD1 3.92Å; Y649-L654 HydrophobicContact CD1-CG 4.14Å; Y649-L654 HydrophobicContact CE1-CD1 3.63Å; Y649-L654 HydrophobicContact CE1-CD2 3.83Å; Y649-L654 HydrophobicContact CE1-CG 3.74Å; Y649-L654 PolarHBondContact O-N 2.66Å; R650-L654 PolarHBondContact O-N 3.42Å; L654-H656 PolarHBondContact O-N 2.91Å; L654-H656 VanDerWaalsContact O-N 3.1Å; L654-G657 PolarHBondContact O-N 3.43Å
655	A	97.1	Very high	96.9	Very high	26 Å²	26	30 Å²	30	22%	0.215	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-23.1	-171.1	0	0	0	0	0	113.8	R494 R650	R494-A655 PolarHBondContact N-O 3.49Å; R494-A655 VanDerWaalsContact N-O 3.08Å; R650-A655 VanDerWaalsContact O-CB 3.26Å; R650-A655 WeakPolarHBondContact O-CB 3.22Å; R650-A655 PolarHBondContact O-N 2.93Å
656	H	96.6	Very high	96.9	Very high	41 Å²	41	28.3 Å²	28.3	19%	0.19	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-19.9	-170	-60.9	-63.1	0	0	0	114.3	T495 R651 E652 L654 G658 A659 K660 M665	T495-H656 VanDerWaalsContact CG2-C 3.49Å; T495-H656 WeakPolarHBondContact CG2-O 3.06Å; R651-H656 PolarHBondContact O-NE2 2.96Å; R651-H656 VanDerWaalsContact O-NE2 3.08Å; E652-H656 PolarHBondContact O-CD2 3.44Å; L654-H656 PolarHBondContact O-N 2.91Å; L654-H656 VanDerWaalsContact O-N 3.1Å; H656-G658 PolarHBondContact O-N 3.34Å; H656-G658 VanDerWaalsContact O-N 3.15Å; H656-A659 WeakPolarHBondContact O-CB 3.41Å; H656-A659 PolarHBondContact O-N 3.28Å; H656-K660 HydrophobicContact CB-CB 3.79Å; H656-K660 PolarHBondContact NE2-NZ 2.9Å; H656-M665 HydrophobicContact CB-SD 3.81Å
657	G	95.5	Very high	96.8	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.4	-122.4	-168.4	0	0	0	0	0	111.7	V500 G502 C505 L654	V500-G657 WeakPolarHBondContact O-CA 3.45Å; G502-G657 VanDerWaalsContact O-CA 3.23Å; G502-G657 WeakPolarHBondContact O-CA 3.44Å; C505-G657 WeakPolarHBondContact CB-O 3.3Å; L654-G657 PolarHBondContact O-N 3.43Å
658	G	95.6	Very high	96.8	Very high	8 Å²	8	29.7 Å²	29.7	8%	0.082	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	0.3	174.7	0	0	0	0	0	116.4	V500 R504 H656 K660	V500-G658 PolarHBondContact O-N 2.99Å; R504-G658 VanDerWaalsContact O-CA 3.26Å; R504-G658 WeakPolarHBondContact O-CA 3.21Å; R504-G658 PolarHBondContact O-N 3.39Å; H656-G658 PolarHBondContact O-N 3.34Å; H656-G658 VanDerWaalsContact O-N 3.15Å; G658-K660 VanDerWaalsContact C-N 3.27Å; G658-K660 PolarHBondContact O-N 2.87Å
659	A	95.6	Very high	96.8	Very high	5 Å²	5	26.2 Å²	26.2	4%	0.041	13%	0.128	C	C	.	.	S	Bend	trans	-73.5	-18.6	-172.7	0	0	0	0	0	113.2	R167 T495 V500 H656	R167-A659 WeakPolarHBondContact CG-O 3.29Å; T495-A659 HydrophobicContact CG2-CB 4.47Å; V500-A659 HydrophobicContact CB-CB 4.3Å; V500-A659 HydrophobicContact CG2-CB 3.88Å; H656-A659 WeakPolarHBondContact O-CB 3.41Å; H656-A659 PolarHBondContact O-N 3.28Å
660	K	95.1	Very high	96.7	Very high	52 Å²	52	26.1 Å²	26.1	23%	0.226	13%	0.128	C	C	.	.	S	Bend	trans	-119.9	144.6	-179.8	-169.9	170	173.9	-170.6	0	110.6	E652 H656 G658 L664 M665	E652-K660 IonicContact OE2-NZ 3.19Å; H656-K660 HydrophobicContact CB-CB 3.79Å; H656-K660 PolarHBondContact NE2-NZ 2.9Å; G658-K660 VanDerWaalsContact C-N 3.27Å; G658-K660 PolarHBondContact O-N 2.87Å; K660-L664 HydrophobicContact CG-CB 4.33Å; K660-M665 HydrophobicContact CB-CG 3.93Å; K660-M665 HydrophobicContact CB-SD 4.17Å; K660-M665 HydrophobicContact CD-CG 3.85Å; K660-M665 HydrophobicContact CG-CG 3.85Å
661	E	94.1	Very high	96.7	Very high	61 Å²	61	31.5 Å²	31.5	29%	0.285	15%	0.154	S	C	.	.			trans	-62.4	129.7	177.2	-163.5	-175.3	177.7	0	0	109.5	K298 M663 L664 M665	K298-E661 WeakPolarHBondContact CE-OE1 3.38Å; K298-E661 IonicContact NZ-OE1 2.8Å; K298-E661 PolarHBondContact NZ-OE1 3.24Å; E661-M663 VanDerWaalsContact C-N 3.31Å; E661-M663 PolarHBondContact O-N 2.62Å; E661-L664 HydrophobicContact CB-CD1 4.06Å; E661-L664 HydrophobicContact CB-CG 4.19Å; E661-L664 WeakPolarHBondContact O-CB 3.36Å; E661-L664 PolarHBondContact O-N 3.46Å; E661-M665 PolarHBondContact O-N 3.03Å
662	P	95.3	Very high	96.6	Very high	4 Å²	4	30 Å²	30	3%	0.026	15%	0.148	C	C	.	.	H	α-helix	trans	-51.6	-42.6	-174.7	-31.1	33.2	0	0	0	115.7	M296 A506 F509 L664 M665 V666	M296-P662 HydrophobicContact CG-CB 3.53Å; M296-P662 HydrophobicContact SD-CB 4.17Å; A506-P662 HydrophobicContact CB-CB 4.49Å; A506-P662 HydrophobicContact CB-CG 3.37Å; F509-P662 HydrophobicContact CB-CB 3.88Å; F509-P662 HydrophobicContact CB-CG 4.22Å; F509-P662 HydrophobicContact CD2-CB 4.18Å; F509-P662 HydrophobicContact CG-CB 4.18Å; P662-L664 PolarHBondContact O-N 2.78Å; P662-M665 HydrophobicContact CB-CE 4.3Å; P662-M665 HydrophobicContact CG-CE 4.38Å; P662-M665 WeakPolarHBondContact O-CB 3.45Å; P662-M665 PolarHBondContact O-N 3.38Å; P662-M665 VanDerWaalsContact O-N 3.08Å; P662-V666 WeakPolarHBondContact O-CG2 3.1Å; P662-V666 PolarHBondContact O-N 2.71Å
663	M	96.1	Very high	96.6	Very high	10 Å²	10	35.6 Å²	35.6	5%	0.049	17%	0.168	C	C	.	.	H	α-helix	trans	-63.9	-32.5	179.8	-171.8	59.1	68.7	0	0	112.1	M296 E661 V666 E667 R673 P674 F679	M296-M663 HydrophobicContact CB-CE 3.9Å; M296-M663 HydrophobicContact CG-CB 4.47Å; M296-M663 HydrophobicContact CG-CE 4.12Å; M296-M663 HydrophobicContact SD-CE 4.18Å; E661-M663 VanDerWaalsContact C-N 3.31Å; E661-M663 PolarHBondContact O-N 2.62Å; M663-V666 PolarHBondContact O-N 3.34Å; M663-E667 VanDerWaalsContact O-CB 3.3Å; M663-E667 WeakPolarHBondContact O-CB 3.47Å; M663-E667 PolarHBondContact O-N 3.49Å; M663-R673 HydrophobicContact CG-CG 4.25Å; M663-R673 HydrophobicContact SD-CG 4.34Å; M663-P674 HydrophobicContact SD-CG 3.91Å; M663-F679 HydrophobicContact CE-CE2 4.02Å; M663-F679 HydrophobicContact CE-CZ 4.01Å
664	L	96.4	Very high	96.5	Very high	79 Å²	79	36 Å²	36	41%	0.414	17%	0.171	S	C	.	.	H	α-helix	trans	-73.1	-30	175.7	-61.3	178.2	0	0	0	112	K660 E661 P662 G668	K660-L664 HydrophobicContact CG-CB 4.33Å; E661-L664 HydrophobicContact CB-CD1 4.06Å; E661-L664 HydrophobicContact CB-CG 4.19Å; E661-L664 WeakPolarHBondContact O-CB 3.36Å; E661-L664 PolarHBondContact O-N 3.46Å; P662-L664 PolarHBondContact O-N 2.78Å; L664-G668 PolarHBondContact O-N 3.36Å
665	M	97.4	Very high	96.4	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.005	19%	0.192	C	C	.	.	H	α-helix	trans	-67.3	-45.8	171.7	-64.3	-167.9	-77.3	0	0	110.9	F509 E652 M653 H656 K660 E661 P662 G668 M669	F509-M665 HydrophobicContact CD1-CE 3.66Å; F509-M665 HydrophobicContact CD2-CE 4.14Å; F509-M665 HydrophobicContact CE1-CE 3.42Å; F509-M665 VanDerWaalsContact CE1-CE 3.42Å; F509-M665 HydrophobicContact CE1-SD 4.02Å; F509-M665 HydrophobicContact CE2-CB 3.92Å; F509-M665 HydrophobicContact CE2-CE 3.9Å; F509-M665 HydrophobicContact CE2-SD 4.44Å; F509-M665 HydrophobicContact CG-CE 4.01Å; F509-M665 HydrophobicContact CZ-CB 4.07Å; F509-M665 HydrophobicContact CZ-CE 3.54Å; F509-M665 HydrophobicContact CZ-SD 3.8Å; E652-M665 WeakPolarHBondContact O-CA 3.38Å; E652-M665 WeakPolarHBondContact O-CB 3.35Å; M653-M665 HydrophobicContact CG-CB 4.28Å; H656-M665 HydrophobicContact CB-SD 3.81Å; K660-M665 HydrophobicContact CB-CG 3.93Å; K660-M665 HydrophobicContact CB-SD 4.17Å; K660-M665 HydrophobicContact CD-CG 3.85Å; K660-M665 HydrophobicContact CG-CG 3.85Å; E661-M665 PolarHBondContact O-N 3.03Å; P662-M665 HydrophobicContact CB-CE 4.3Å; P662-M665 HydrophobicContact CG-CE 4.38Å; P662-M665 WeakPolarHBondContact O-CB 3.45Å; P662-M665 PolarHBondContact O-N 3.38Å; P662-M665 VanDerWaalsContact O-N 3.08Å; M665-G668 PolarHBondContact O-N 3.47Å; M665-M669 PolarHBondContact O-N 3.39Å
666	V	97.9	Very high	96.3	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-62.4	-44	175.9	176.8	0	0	0	0	111.3	M296 F509 V627 M653 P662 M663 M669 L670 P674	M296-V666 HydrophobicContact SD-CG2 3.93Å; F509-V666 HydrophobicContact CD2-CG2 4.24Å; F509-V666 HydrophobicContact CE2-CG2 4.21Å; V627-V666 HydrophobicContact CG1-CG1 4.09Å; V627-V666 HydrophobicContact CG1-CG2 3.66Å; V627-V666 HydrophobicContact CG2-CG2 4.26Å; M653-V666 HydrophobicContact CE-CG2 4.41Å; P662-V666 WeakPolarHBondContact O-CG2 3.1Å; P662-V666 PolarHBondContact O-N 2.71Å; M663-V666 PolarHBondContact O-N 3.34Å; V666-M669 PolarHBondContact O-N 3.22Å; V666-L670 HydrophobicContact CG1-CD1 3.64Å; V666-L670 HydrophobicContact CG1-CG 4.29Å; V666-L670 WeakPolarHBondContact O-CB 3.45Å; V666-L670 WeakPolarHBondContact O-CG 3Å; V666-L670 PolarHBondContact O-N 3.01Å; V666-P674 HydrophobicContact CG1-CG 3.74Å
667	E	97.8	Very high	96.3	Very high	68 Å²	68	43.4 Å²	43.4	32%	0.318	21%	0.207	S	C	.	.	H	α-helix	trans	-62.4	-41.8	175.4	178.9	171.6	-177.6	0	0	112.2	M663 M669 Q671 R672 R673	M663-E667 VanDerWaalsContact O-CB 3.3Å; M663-E667 WeakPolarHBondContact O-CB 3.47Å; M663-E667 PolarHBondContact O-N 3.49Å; E667-M669 VanDerWaalsContact C-N 3.33Å; E667-M669 PolarHBondContact O-N 3.28Å; E667-Q671 WeakPolarHBondContact O-CA 3.38Å; E667-Q671 PolarHBondContact O-N 2.83Å; E667-R672 WeakPolarHBondContact CA-O 3.27Å; E667-R672 PolarHBondContact O-N 2.71Å; E667-R673 HydrophobicContact CG-CB 4.28Å
668	G	96.9	Very high	96.4	Very high	12 Å²	12	45.4 Å²	45.4	12%	0.124	22%	0.217	C	C	.	.	H	α-helix	trans	-60	-40.6	174.4	0	0	0	0	0	112.5	L664 M665 Q671	L664-G668 PolarHBondContact O-N 3.36Å; M665-G668 PolarHBondContact O-N 3.47Å; G668-Q671 PolarHBondContact O-NE2 3.3Å
669	M	97.9	Very high	96.5	Very high	0 Å²	0	45 Å²	45	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-71.6	-50.9	177.9	-174.2	61.7	-171.7	0	0	112.5	V631 C635 F636 R648 Y649 M653 M665 V666 E667 Q671	V631-M669 HydrophobicContact CG1-CE 4.04Å; V631-M669 HydrophobicContact CG1-CG 4.24Å; V631-M669 HydrophobicContact CG2-CG 4.03Å; C635-M669 HydrophobicContact CB-CE 3.76Å; F636-M669 HydrophobicContact CE2-CE 4Å; F636-M669 HydrophobicContact CZ-CE 4.24Å; R648-M669 HydrophobicContact CB-SD 4.35Å; R648-M669 HydrophobicContact CG-SD 3.82Å; Y649-M669 VanDerWaalsContact CA-SD 3.6Å; Y649-M669 HydrophobicContact CD2-CE 4.39Å; Y649-M669 HydrophobicContact CD2-SD 4.24Å; M653-M669 HydrophobicContact CG-CB 3.91Å; M653-M669 HydrophobicContact CG-CG 4.48Å; M653-M669 HydrophobicContact SD-CB 3.39Å; M653-M669 WeakPolarHBondContact SD-CB 3.38Å; M653-M669 HydrophobicContact SD-CG 3.55Å; M653-M669 VanDerWaalsContact SD-CG 3.55Å; M653-M669 HydrophobicContact SD-SD 4.43Å; M665-M669 PolarHBondContact O-N 3.39Å; V666-M669 PolarHBondContact O-N 3.22Å; E667-M669 VanDerWaalsContact C-N 3.33Å; E667-M669 PolarHBondContact O-N 3.28Å; M669-Q671 VanDerWaalsContact C-N 3.29Å; M669-Q671 PolarHBondContact O-N 3.45Å
670	L	97.6	Very high	96.7	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-81.4	-8.5	-174.4	-60.4	178.4	0	0	0	113.2	M630 V631 Q634 V666 R672 P674	M630-L670 HydrophobicContact CB-CD1 4.09Å; M630-L670 HydrophobicContact CB-CD2 4.27Å; M630-L670 HydrophobicContact CE-CD1 3.8Å; V631-L670 HydrophobicContact CG2-CD2 3.92Å; V631-L670 HydrophobicContact CG2-CG 4.47Å; Q634-L670 HydrophobicContact CB-CD2 4.35Å; Q634-L670 PolarHBondContact NE2-O 2.75Å; V666-L670 HydrophobicContact CG1-CD1 3.64Å; V666-L670 HydrophobicContact CG1-CG 4.29Å; V666-L670 WeakPolarHBondContact O-CB 3.45Å; V666-L670 WeakPolarHBondContact O-CG 3Å; V666-L670 PolarHBondContact O-N 3.01Å; L670-R672 HydrophobicContact CB-CG 4.23Å; L670-R672 PolarHBondContact O-N 2.93Å; L670-R672 VanDerWaalsContact O-N 3.1Å; L670-P674 HydrophobicContact CD1-CG 4.47Å
671	Q	97.1	Very high	96.8	Very high	128 Å²	128	45.4 Å²	45.4	60%	0.598	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.2	23.2	-175.9	-59.6	-73.2	-57.3	0	0	113.2	E667 G668 M669	E667-Q671 WeakPolarHBondContact O-CA 3.38Å; E667-Q671 PolarHBondContact O-N 2.83Å; G668-Q671 PolarHBondContact O-NE2 3.3Å; M669-Q671 VanDerWaalsContact C-N 3.29Å; M669-Q671 PolarHBondContact O-N 3.45Å
672	R	96.6	Very high	96.9	Very high	99 Å²	99	42.9 Å²	42.9	37%	0.374	21%	0.207	S	C	.	.	S	Bend	trans	-158.4	150.3	175.3	70.2	-179.1	-172.4	97.7	-12.4	109.1	E667 L670 P674 D678	E667-R672 WeakPolarHBondContact CA-O 3.27Å; E667-R672 PolarHBondContact O-N 2.71Å; L670-R672 HydrophobicContact CB-CG 4.23Å; L670-R672 PolarHBondContact O-N 2.93Å; L670-R672 VanDerWaalsContact O-N 3.1Å; R672-P674 WeakPolarHBondContact O-CD 3.42Å; R672-D678 IonicContact CZ-OD1 2.69Å; R672-D678 VanDerWaalsContact NH1-CG 3.34Å; R672-D678 IonicContact NH1-OD1 2.9Å; R672-D678 PolarHBondContact NH1-OD1 3.04Å; R672-D678 IonicContact NH1-OD2 3.87Å; R672-D678 PolarHBondContact NH1-OD2 3.23Å; R672-D678 IonicContact NH2-OD1 2.9Å; R672-D678 PolarHBondContact NH2-OD1 3.44Å; R672-D678 VanDerWaalsContact NH2-OD1 3.13Å
673	R	96.6	Very high	97	Very high	151 Å²	151	43 Å²	43	57%	0.57	21%	0.207	S	C	*	.	P	Polyproline II helix	trans	-84.4	116.2	174.5	-166.5	172	-176.1	-141.1	-1	110.6	M663 E667	M663-R673 HydrophobicContact CG-CG 4.25Å; M663-R673 HydrophobicContact SD-CG 4.34Å; E667-R673 HydrophobicContact CG-CB 4.28Å
674	P	96.5	Very high	97	Very high	8 Å²	8	43.4 Å²	43.4	5%	0.052	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-74.6	148.5	178.3	30.8	-35.3	0	0	0	112	M630 M663 V666 L670 R672 D678 F679	M630-P674 HydrophobicContact CE-CB 3.69Å; M630-P674 HydrophobicContact SD-CB 4.38Å; M663-P674 HydrophobicContact SD-CG 3.91Å; V666-P674 HydrophobicContact CG1-CG 3.74Å; L670-P674 HydrophobicContact CD1-CG 4.47Å; R672-P674 WeakPolarHBondContact O-CD 3.42Å; P674-D678 HydrophobicContact CB-CB 4.19Å; P674-F679 HydrophobicContact CB-CD1 4.25Å; P674-F679 HydrophobicContact CB-CE1 3.61Å; P674-F679 HydrophobicContact CB-CZ 3.95Å; P674-F679 HydrophobicContact CG-CE1 3.5Å; P674-F679 VanDerWaalsContact CG-CE1 3.5Å; P674-F679 HydrophobicContact CG-CZ 3.5Å
675	T	95.9	Very high	96.9	Very high	76 Å²	76	41.7 Å²	41.7	47%	0.466	21%	0.205	S	C	.	.	P	Polyproline II helix	trans	-94	168.7	171.3	67.4	0	0	0	0	111.3	E677 D678 F679	T675-E677 PolarHBondContact O-N 2.87Å; T675-E677 PolarHBondContact OG1-N 2.94Å; T675-D678 WeakPolarHBondContact CB-OD2 3.47Å; T675-D678 PolarHBondContact N-OD2 2.61Å; T675-D678 WeakPolarHBondContact O-CB 3.43Å; T675-D678 PolarHBondContact O-N 3.4Å; T675-D678 PolarHBondContact OG1-N 3.23Å; T675-D678 VanDerWaalsContact OG1-N 3.15Å; T675-D678 PolarHBondContact OG1-OD2 3.24Å; T675-F679 PolarHBondContact O-N 2.85Å
676	M	94.4	Very high	96.5	Very high	46 Å²	46	43.7 Å²	43.7	23%	0.227	21%	0.214	C	C	.	.	H	α-helix	trans	-62.7	-31.7	172.6	-69.5	-65.4	146.6	0	0	112.1	T302 F306 M623 F679 V680	T302-M676 HydrophobicContact CG2-CE 3.84Å; T302-M676 HydrophobicContact CG2-CG 4.04Å; T302-M676 HydrophobicContact CG2-SD 4.01Å; F306-M676 HydrophobicContact CB-SD 4.27Å; F306-M676 HydrophobicContact CD2-SD 4.37Å; M623-M676 HydrophobicContact CE-CE 3.95Å; M623-M676 HydrophobicContact CE-SD 3.73Å; M676-F679 HydrophobicContact CE-CD2 4.18Å; M676-F679 HydrophobicContact CE-CE2 4.05Å; M676-F679 PolarHBondContact O-N 2.9Å; M676-F679 HydrophobicContact SD-CD2 3.93Å; M676-F679 HydrophobicContact SD-CE2 4.41Å; M676-V680 WeakPolarHBondContact O-CG2 3.44Å; M676-V680 PolarHBondContact O-N 3.08Å; M676-V680 VanDerWaalsContact O-N 3.07Å
677	E	96.6	Very high	96.1	Very high	102 Å²	102	44.9 Å²	44.9	48%	0.477	22%	0.22	S	C	.	.	H	α-helix	trans	-68	-40.6	174.7	-179.5	159.7	-152	0	0	111.6	L309 K313 T675 F679 V680 D681	L309-E677 HydrophobicContact CD2-CB 4.2Å; L309-E677 HydrophobicContact CD2-CG 4.46Å; K313-E677 IonicContact NZ-OE1 3.74Å; K313-E677 PolarHBondContact NZ-OE1 2.99Å; T675-E677 PolarHBondContact O-N 2.87Å; T675-E677 PolarHBondContact OG1-N 2.94Å; E677-F679 VanDerWaalsContact C-N 3.28Å; E677-F679 PolarHBondContact O-N 3.08Å; E677-V680 PolarHBondContact O-N 2.9Å; E677-D681 WeakPolarHBondContact O-CB 3.5Å; E677-D681 PolarHBondContact O-N 3.48Å
678	D	97.9	Very high	95.6	Very high	42 Å²	42	44.9 Å²	44.9	23%	0.225	22%	0.222	C	C	.	.	H	α-helix	trans	-56.3	-43.3	172.4	-70.9	-84	0	0	0	111.7	M630 R672 P674 T675 D681 A682	M630-D678 HydrophobicContact CE-CB 4.01Å; M630-D678 HydrophobicContact SD-CB 4.31Å; R672-D678 IonicContact CZ-OD1 2.69Å; R672-D678 VanDerWaalsContact NH1-CG 3.34Å; R672-D678 IonicContact NH1-OD1 2.9Å; R672-D678 PolarHBondContact NH1-OD1 3.04Å; R672-D678 IonicContact NH1-OD2 3.87Å; R672-D678 PolarHBondContact NH1-OD2 3.23Å; R672-D678 IonicContact NH2-OD1 2.9Å; R672-D678 PolarHBondContact NH2-OD1 3.44Å; R672-D678 VanDerWaalsContact NH2-OD1 3.13Å; P674-D678 HydrophobicContact CB-CB 4.19Å; T675-D678 WeakPolarHBondContact CB-OD2 3.47Å; T675-D678 PolarHBondContact N-OD2 2.61Å; T675-D678 WeakPolarHBondContact O-CB 3.43Å; T675-D678 PolarHBondContact O-N 3.4Å; T675-D678 PolarHBondContact OG1-N 3.23Å; T675-D678 VanDerWaalsContact OG1-N 3.15Å; T675-D678 PolarHBondContact OG1-OD2 3.24Å; D678-D681 PolarHBondContact O-N 3.28Å; D678-A682 WeakPolarHBondContact O-CB 3.43Å; D678-A682 PolarHBondContact O-N 3.39Å
679	F	97.5	Very high	94.4	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-64.4	-42.5	177.7	-66.3	-32.6	0	0	0	112.3	F306 M623 A626 V627 M630 M663 P674 T675 M676 E677 A682 L683	F306-F679 HydrophobicContact CD2-CB 4.42Å; F306-F679 HydrophobicContact CE2-CB 3.89Å; M623-F679 HydrophobicContact CG-CD2 4.38Å; M623-F679 HydrophobicContact CG-CE2 4.45Å; M623-F679 HydrophobicContact SD-CE2 4.49Å; A626-F679 HydrophobicContact CB-CB 3.73Å; A626-F679 HydrophobicContact CB-CD1 4.11Å; A626-F679 HydrophobicContact CB-CG 4.2Å; A626-F679 VanDerWaalsContact CB-O 3.31Å; A626-F679 WeakPolarHBondContact CB-O 3.36Å; V627-F679 HydrophobicContact CG2-CD1 4.25Å; V627-F679 HydrophobicContact CG2-CE1 3.58Å; V627-F679 HydrophobicContact CG2-CZ 3.91Å; M630-F679 HydrophobicContact SD-CD1 3.63Å; M630-F679 HydrophobicContact SD-CE1 4.01Å; M663-F679 HydrophobicContact CE-CE2 4.02Å; M663-F679 HydrophobicContact CE-CZ 4.01Å; P674-F679 HydrophobicContact CB-CD1 4.25Å; P674-F679 HydrophobicContact CB-CE1 3.61Å; P674-F679 HydrophobicContact CB-CZ 3.95Å; P674-F679 HydrophobicContact CG-CE1 3.5Å; P674-F679 VanDerWaalsContact CG-CE1 3.5Å; P674-F679 HydrophobicContact CG-CZ 3.5Å; T675-F679 PolarHBondContact O-N 2.85Å; M676-F679 HydrophobicContact CE-CD2 4.18Å; M676-F679 HydrophobicContact CE-CE2 4.05Å; M676-F679 PolarHBondContact O-N 2.9Å; M676-F679 HydrophobicContact SD-CD2 3.93Å; M676-F679 HydrophobicContact SD-CE2 4.41Å; E677-F679 VanDerWaalsContact C-N 3.28Å; E677-F679 PolarHBondContact O-N 3.08Å; F679-A682 WeakPolarHBondContact O-CB 3.42Å; F679-A682 PolarHBondContact O-N 3.37Å; F679-L683 PolarHBondContact O-N 2.83Å
680	V	98.2	Very high	93	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-63.2	-45.2	175.2	172.9	0	0	0	0	110.7	F306 L309 L310 K313 M676 E677 A682 L683 V684	F306-V680 HydrophobicContact CD2-CG2 3.58Å; F306-V680 HydrophobicContact CE2-CG2 3.71Å; L309-V680 HydrophobicContact CB-CG2 4.2Å; L309-V680 HydrophobicContact CD2-CB 4.24Å; L309-V680 HydrophobicContact CD2-CG2 3.94Å; L309-V680 HydrophobicContact CG-CB 4.35Å; L309-V680 HydrophobicContact CG-CG1 4.18Å; L309-V680 HydrophobicContact CG-CG2 4.05Å; L310-V680 HydrophobicContact CB-CG1 4.15Å; L310-V680 HydrophobicContact CB-CG2 4.17Å; L310-V680 HydrophobicContact CD1-CG1 3.94Å; K313-V680 HydrophobicContact CB-CG1 4.46Å; K313-V680 HydrophobicContact CD-CG1 3.93Å; K313-V680 HydrophobicContact CG-CG1 4.32Å; M676-V680 WeakPolarHBondContact O-CG2 3.44Å; M676-V680 PolarHBondContact O-N 3.08Å; M676-V680 VanDerWaalsContact O-N 3.07Å; E677-V680 PolarHBondContact O-N 2.9Å; V680-A682 VanDerWaalsContact C-N 3.28Å; V680-A682 PolarHBondContact O-N 3.26Å; V680-L683 PolarHBondContact O-N 3.08Å; V680-V684 HydrophobicContact CG1-CG2 4.08Å; V680-V684 VanDerWaalsContact O-CG2 3.31Å; V680-V684 WeakPolarHBondContact O-CG2 3.34Å; V680-V684 PolarHBondContact O-N 3.25Å
681	D	97.8	Very high	90.8	Very high	66 Å²	66	59 Å²	59	35%	0.353	29%	0.292	S	S	.	.	H	α-helix	trans	-64.4	-34	179.8	-74.4	-18.9	0	0	0	112.4	K313 E677 D678 V684 S685	K313-D681 WeakPolarHBondContact CD-OD1 3.41Å; K313-D681 IonicContact NZ-OD1 2.87Å; K313-D681 PolarHBondContact NZ-OD1 2.97Å; K313-D681 IonicContact NZ-OD2 2.61Å; K313-D681 PolarHBondContact NZ-OD2 3.49Å; E677-D681 WeakPolarHBondContact O-CB 3.5Å; E677-D681 PolarHBondContact O-N 3.48Å; D678-D681 PolarHBondContact O-N 3.28Å; D681-V684 PolarHBondContact O-N 2.97Å; D681-S685 WeakPolarHBondContact O-CB 3.38Å; D681-S685 PolarHBondContact O-N 3.38Å; D681-S685 PolarHBondContact O-OG 3.01Å
682	A	97.1	Very high	88.6	Confident	7 Å²	7	60 Å²	60	6%	0.058	30%	0.297	C	S	.	.	H	α-helix	trans	-59.3	-47.3	173.1	0	0	0	0	0	111.7	A626 M630 K633 D678 F679 V680 S685 E686	A626-A682 HydrophobicContact CB-CB 4.37Å; M630-A682 HydrophobicContact CG-CB 3.55Å; M630-A682 HydrophobicContact SD-CB 4.06Å; K633-A682 PolarHBondContact NZ-O 2.85Å; D678-A682 WeakPolarHBondContact O-CB 3.43Å; D678-A682 PolarHBondContact O-N 3.39Å; F679-A682 WeakPolarHBondContact O-CB 3.42Å; F679-A682 PolarHBondContact O-N 3.37Å; V680-A682 VanDerWaalsContact C-N 3.28Å; V680-A682 PolarHBondContact O-N 3.26Å; A682-S685 PolarHBondContact O-OG 3.43Å; A682-E686 PolarHBondContact O-N 3.39Å
683	L	97.1	Very high	86.5	Confident	7 Å²	7	55.9 Å²	55.9	4%	0.037	28%	0.282	C	S	.	.	H	α-helix	trans	-67.8	-43.7	177.7	-65.7	173.7	0	0	0	112.3	F306 L310 L622 R625 A626 F679 V680 S685 E686	F306-L683 HydrophobicContact CE2-CD1 4.34Å; F306-L683 HydrophobicContact CZ-CD1 3.78Å; L310-L683 HydrophobicContact CD1-CB 4.11Å; L310-L683 HydrophobicContact CD1-CD1 4.3Å; L310-L683 HydrophobicContact CD2-CD1 3.71Å; L622-L683 HydrophobicContact CB-CD1 4.35Å; L622-L683 HydrophobicContact CD2-CD1 4.46Å; R625-L683 HydrophobicContact CB-CD2 3.98Å; R625-L683 HydrophobicContact CG-CD2 3.77Å; A626-L683 HydrophobicContact CB-CD1 4.22Å; A626-L683 HydrophobicContact CB-CD2 4.13Å; A626-L683 HydrophobicContact CB-CG 3.85Å; F679-L683 PolarHBondContact O-N 2.83Å; V680-L683 PolarHBondContact O-N 3.08Å; L683-S685 VanDerWaalsContact C-N 3.32Å; L683-S685 PolarHBondContact O-N 2.79Å; L683-E686 PolarHBondContact O-N 2.81Å
684	V	96.4	Very high	84	Confident	18 Å²	18	56.2 Å²	56.2	11%	0.109	29%	0.288	C	S	.	.	H	α-helix	trans	-64.7	-38.8	180	174.1	0	0	0	0	111	L310 K313 L314 V680 D681 L687	L310-V684 HydrophobicContact CD1-CG2 3.94Å; K313-V684 HydrophobicContact CB-CG2 3.81Å; L314-V684 HydrophobicContact CD2-CG2 3.98Å; L314-V684 HydrophobicContact CG-CG2 4.35Å; V680-V684 HydrophobicContact CG1-CG2 4.08Å; V680-V684 VanDerWaalsContact O-CG2 3.31Å; V680-V684 WeakPolarHBondContact O-CG2 3.34Å; V680-V684 PolarHBondContact O-N 3.25Å; D681-V684 PolarHBondContact O-N 2.97Å; V684-L687 PolarHBondContact O-N 3.31Å
685	S	93.4	Very high	81.4	Confident	43 Å²	43	61.2 Å²	61.2	30%	0.301	31%	0.314	S	S	.	.	H	α-helix	trans	-72.6	-23.9	-178.6	58.8	0	0	0	0	114.1	K633 D681 A682 L683 L687 N688	K633-S685 PolarHBondContact NZ-OG 3.41Å; D681-S685 WeakPolarHBondContact O-CB 3.38Å; D681-S685 PolarHBondContact O-N 3.38Å; D681-S685 PolarHBondContact O-OG 3.01Å; A682-S685 PolarHBondContact O-OG 3.43Å; L683-S685 VanDerWaalsContact C-N 3.32Å; L683-S685 PolarHBondContact O-N 2.79Å; S685-L687 PolarHBondContact O-N 3.11Å; S685-N688 VanDerWaalsContact O-CB 3.32Å; S685-N688 WeakPolarHBondContact O-CB 2.97Å; S685-N688 PolarHBondContact O-N 2.94Å; S685-N688 PolarHBondContact O-ND2 3.06Å
686	E	88.8	Confident	79.2	Confident	44 Å²	44	62 Å²	62	21%	0.206	31%	0.314	C	S	.	.	H	α-helix	trans	-60.7	-32.3	171.7	-79.7	168.2	-141.8	0	0	113	Y519 K553 S629 A682 L683 N688	Y519-E686 PolarHBondContact OH-OE1 3.49Å; Y519-E686 PolarHBondContact OH-OE2 3Å; K553-E686 WeakPolarHBondContact CE-O 3.22Å; S629-E686 WeakPolarHBondContact CB-OE1 3.37Å; S629-E686 WeakPolarHBondContact OG-CG 3.41Å; S629-E686 PolarHBondContact OG-OE1 3.34Å; A682-E686 PolarHBondContact O-N 3.39Å; L683-E686 PolarHBondContact O-N 2.81Å; E686-N688 PolarHBondContact O-N 3.43Å
687	L	90.1	Very high	76.7	Confident	24 Å²	24	63 Å²	63	13%	0.126	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	1.1	-179.2	-56.1	179	0	0	0	112.6	L314 R317 A557 V684 S685	L314-L687 HydrophobicContact CD2-CD1 3.53Å; R317-L687 PolarHBondContact NH1-O 3.18Å; A557-L687 HydrophobicContact CB-CD1 3.95Å; V684-L687 PolarHBondContact O-N 3.31Å; S685-L687 PolarHBondContact O-N 3.11Å
688	N	86.3	Confident	73.9	Confident	68 Å²	68	62.2 Å²	62.2	36%	0.364	33%	0.325	S	S	.	.	S	Bend	trans	-73.9	129.2	176	-68.8	-21.5	0	0	0	110.3	R317 K553 S685 E686	R317-N688 VanDerWaalsContact CZ-OD1 3.3Å; R317-N688 PolarHBondContact NH1-OD1 3.49Å; R317-N688 PolarHBondContact NH2-OD1 3.04Å; K553-N688 WeakPolarHBondContact CD-O 3.39Å; K553-N688 WeakPolarHBondContact CE-O 3.44Å; K553-N688 PolarHBondContact NZ-O 3.39Å; S685-N688 VanDerWaalsContact O-CB 3.32Å; S685-N688 WeakPolarHBondContact O-CB 2.97Å; S685-N688 PolarHBondContact O-N 2.94Å; S685-N688 PolarHBondContact O-ND2 3.06Å; E686-N688 PolarHBondContact O-N 3.43Å
689	P	72.9	Confident	70.8	Confident	74 Å²	74	68.7 Å²	68.7	48%	0.481	35%	0.354	S	S	.	.			trans	-61.8	141.8	175.1	26.6	-32.7	0	0	0	109.8	F691	P689-F691 HydrophobicContact CG-CZ 4.5Å; P689-F691 PolarHBondContact O-N 3.36Å
690	N	68.8	Low	67.8	Low	75 Å²	75	74.9 Å²	74.9	40%	0.401	40%	0.398	S	S	.	.			trans	-88.2	105.3	172.1	-172.5	5.4	0	0	0	108.9	E550 E692 T693	E550-N690 VanDerWaalsContact OE1-CB 3.25Å; E550-N690 WeakPolarHBondContact OE1-CB 3.42Å; E550-N690 PolarHBondContact OE2-N 2.99Å; N690-E692 PolarHBondContact O-N 3.42Å; N690-T693 WeakPolarHBondContact CB-OG1 3.46Å; N690-T693 WeakPolarHBondContact O-CB 3.39Å; N690-T693 PolarHBondContact O-N 2.85Å; N690-T693 VanDerWaalsContact O-N 3.14Å; N690-T693 PolarHBondContact O-OG1 3.39Å
691	F	51.2	Low	66.3	Low	162 Å²	162	78.7 Å²	78.7	71%	0.711	42%	0.418	S	S	*	.	H	α-helix	trans	-61.3	-26.4	-173.9	-74.9	-81.5	0	0	0	113.8	P689 T693 F694	P689-F691 HydrophobicContact CG-CZ 4.5Å; P689-F691 PolarHBondContact O-N 3.36Å; F691-T693 VanDerWaalsContact C-N 3.3Å; F691-T693 PolarHBondContact O-N 2.84Å; F691-F694 WeakPolarHBondContact O-CB 3.5Å; F691-F694 PolarHBondContact O-N 3.01Å
692	E	51.6	Low	64.7	Low	149 Å²	149	79.3 Å²	79.3	70%	0.696	42%	0.421	S	S	*	.	H	α-helix	trans	-65.4	-35	177.3	-67.5	-179	169.3	0	0	112	N690 F694 L695 M696	N690-E692 PolarHBondContact O-N 3.42Å; E692-F694 VanDerWaalsContact C-N 3.29Å; E692-F694 PolarHBondContact O-N 2.9Å; E692-L695 PolarHBondContact O-N 2.9Å; E692-M696 PolarHBondContact O-N 3.11Å
693	T	51.4	Low	62.9	Low	12 Å²	12	83.3 Å²	83.3	7%	0.074	44%	0.441	C	S	.	.	H	α-helix	trans	-65.8	-32.8	177	-25.5	0	0	0	0	112.5	A546 E550 N690 F691 L695 M696 D697	A546-T693 HydrophobicContact CB-CG2 3.48Å; A546-T693 VanDerWaalsContact CB-CG2 3.48Å; E550-T693 HydrophobicContact CG-CG2 3.75Å; N690-T693 WeakPolarHBondContact CB-OG1 3.46Å; N690-T693 WeakPolarHBondContact O-CB 3.39Å; N690-T693 PolarHBondContact O-N 2.85Å; N690-T693 VanDerWaalsContact O-N 3.14Å; N690-T693 PolarHBondContact O-OG1 3.39Å; F691-T693 VanDerWaalsContact C-N 3.3Å; F691-T693 PolarHBondContact O-N 2.84Å; T693-L695 PolarHBondContact O-N 3.37Å; T693-M696 PolarHBondContact O-N 3.48Å; T693-D697 PolarHBondContact O-N 3.49Å
694	F	44.5	Very low	60.9	Low	157 Å²	157	87.8 Å²	87.8	69%	0.689	47%	0.465	S	S	*	.	H	α-helix	trans	-68.3	-25.5	-179.1	-151.1	-87.4	0	0	0	112.3	F691 E692	F691-F694 WeakPolarHBondContact O-CB 3.5Å; F691-F694 PolarHBondContact O-N 3.01Å; E692-F694 VanDerWaalsContact C-N 3.29Å; E692-F694 PolarHBondContact O-N 2.9Å
695	L	42.3	Very low	58.6	Low	113 Å²	113	92.2 Å²	92.2	59%	0.592	49%	0.487	S	S	*	.	H	α-helix	trans	-81	-36	176.5	-68.6	168.6	0	0	0	111.9	E692 T693 D697 S698 E699	E692-L695 PolarHBondContact O-N 2.9Å; T693-L695 PolarHBondContact O-N 3.37Å; L695-D697 VanDerWaalsContact C-N 3.31Å; L695-D697 PolarHBondContact O-N 3.04Å; L695-S698 PolarHBondContact O-N 2.94Å; L695-S698 PolarHBondContact O-OG 2.99Å; L695-E699 PolarHBondContact O-N 2.96Å
696	M	49.2	Very low	56.3	Low	94 Å²	94	95.5 Å²	95.5	46%	0.463	50%	0.5	S	S	.	.	H	α-helix	trans	-63.4	-34.2	178.4	-69.4	-170.6	135.3	0	0	113.2	E692 T693 S698 E699 S700	E692-M696 PolarHBondContact O-N 3.11Å; T693-M696 PolarHBondContact O-N 3.48Å; M696-S698 PolarHBondContact O-N 3.12Å; M696-E699 PolarHBondContact O-N 3.22Å; M696-S700 PolarHBondContact O-OG 3.03Å; M696-S700 VanDerWaalsContact O-OG 3.06Å
697	D	41.2	Very low	54	Low	67 Å²	67	99.1 Å²	99.1	36%	0.358	52%	0.521	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-14.2	174.6	-80.7	-17.1	0	0	0	113.2	T693 L695	T693-D697 PolarHBondContact O-N 3.49Å; L695-D697 VanDerWaalsContact C-N 3.31Å; L695-D697 PolarHBondContact O-N 3.04Å
698	S	38.4	Very low	51.2	Low	85 Å²	85	104.9 Å²	104.9	59%	0.594	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93	-11.4	177	69	0	0	0	0	114.2	L695 M696	L695-S698 PolarHBondContact O-N 2.94Å; L695-S698 PolarHBondContact O-OG 2.99Å; M696-S698 PolarHBondContact O-N 3.12Å
699	E	33.7	Very low	48.3	Very low	177 Å²	177	108 Å²	108	83%	0.827	57%	0.567	S	S	*	*			trans	-111.9	2.3	-178.2	-65.7	-170.7	160.6	0	0	113.8	L695 M696	L695-E699 PolarHBondContact O-N 2.96Å; M696-E699 PolarHBondContact O-N 3.22Å
700	S	34.5	Very low	46.1	Very low	131 Å²	131	111.1 Å²	111.1	92%	0.916	58%	0.575	S	S	*	*			trans	-117	0	173.2	50	0	0	0	0	112.1	M696	M696-S700 PolarHBondContact O-OG 3.03Å; M696-S700 VanDerWaalsContact O-OG 3.06Å

Retrieved 700 of 700 residues in 3425.1 ms (Link to these results)

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