A0A087XJ63_POEFO Loading...

Phosphodiesterase

AlphaFold DB , UniProt , Accession A0A087XJ63, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 638 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	39.5	Very low	39	Very low	250 Å²	250	155.8 Å²	155.8	100%	1.232	79%	0.787	S	S	*	*				0	105.7	0	-80.5	-177	165.9	0	0	107.6
2	C	31.3	Very low	38.8	Very low	111 Å²	111	145.4 Å²	145.4	75%	0.75	75%	0.748	S	S	*	*			trans	-81	143.8	-165.7	-80.8	0	0	0	0	113.4	H4	C2-H4 PolarHBondContact O-N 3.19Å
3	P	40.4	Very low	39	Very low	135 Å²	135	139.2 Å²	139.2	88%	0.877	73%	0.731	S	S	*	*			trans	-87.8	70.5	174	36.1	-32.2	0	0	0	110.6
4	H	36.5	Very low	38.9	Very low	145 Å²	145	136.4 Å²	136.4	67%	0.671	72%	0.716	S	S	*	*			trans	-115.9	-4.4	-177.7	-118.7	-60.1	0	0	0	115.3	C2	C2-H4 PolarHBondContact O-N 3.19Å
5	H	40.5	Very low	38.7	Very low	176 Å²	176	136.5 Å²	136.5	82%	0.815	71%	0.709	S	S	*	*	S	Bend	trans	-99.4	-13.7	-175.3	-91.6	-61.6	0	0	0	116.4
6	L	40	Very low	38.7	Very low	153 Å²	153	135.5 Å²	135.5	80%	0.801	71%	0.705	S	S	*	*	S	Bend	trans	-90.4	-16.7	179.7	-102.5	87.4	0	0	0	115.5
7	R	37.3	Very low	38.8	Very low	220 Å²	220	134.6 Å²	134.6	83%	0.83	70%	0.696	S	S	*	*	H	α-helix	trans	-84.5	-15.1	-179.5	-85.6	-172.1	178.2	-171.5	0.1	115.1
8	K	38.1	Very low	38.7	Very low	176 Å²	176	136.3 Å²	136.3	77%	0.765	69%	0.693	S	S	*	*	H	α-helix	trans	-87	-21.2	179.8	-79.7	-174.1	175.1	-177.6	0	114.4
9	S	44.6	Very low	38.5	Very low	89 Å²	89	136.7 Å²	136.7	62%	0.622	69%	0.69	S	S	*	*	H	α-helix	trans	-80.9	-39.1	-179.8	-173	0	0	0	0	112.6	A13	S9-A13 PolarHBondContact O-N 3.35Å
10	V	44.2	Very low	38.6	Very low	92 Å²	92	132.6 Å²	132.6	56%	0.558	67%	0.674	S	S	*	*	H	α-helix	trans	-74.9	-32.7	-177.4	-178.1	0	0	0	0	112.6	L14	V10-L14 HydrophobicContact CG1-CD1 4.16Å; V10-L14 PolarHBondContact O-N 3.05Å
11	F	37	Very low	38.7	Very low	167 Å²	167	130.5 Å²	130.5	73%	0.732	67%	0.665	S	S	*	*	H	α-helix	trans	-79	-22.2	177.8	-108.3	-87.5	0	0	0	114	K15	F11-K15 WeakPolarHBondContact O-CB 3.24Å
12	G	36.9	Very low	38.7	Very low	31 Å²	31	123.4 Å²	123.4	32%	0.32	63%	0.631	S	S	.	*	H	α-helix	trans	-73.6	-47.9	172.5	0	0	0	0	0	111.7	L14 K15 D16	G12-L14 PolarHBondContact O-N 2.91Å; G12-K15 PolarHBondContact O-N 3.25Å; G12-D16 PolarHBondContact O-N 2.82Å; G12-D16 VanDerWaalsContact O-N 3.08Å
13	A	41	Very low	39	Very low	64 Å²	64	122 Å²	122	53%	0.529	62%	0.622	S	S	.	*	H	α-helix	trans	-65.9	-34.2	-178.9	0	0	0	0	0	113.8	S9 H17	S9-A13 PolarHBondContact O-N 3.35Å; A13-H17 VanDerWaalsContact O-CB 3.3Å; A13-H17 WeakPolarHBondContact O-CB 3.42Å; A13-H17 PolarHBondContact O-N 3.17Å
14	L	37.9	Very low	39.2	Very low	101 Å²	101	121.6 Å²	121.6	53%	0.529	61%	0.609	S	S	.	*	H	α-helix	trans	-72.9	-27.9	175.2	-88.1	158.7	0	0	0	113.2	V10 G12 Y18	V10-L14 HydrophobicContact CG1-CD1 4.16Å; V10-L14 PolarHBondContact O-N 3.05Å; G12-L14 PolarHBondContact O-N 2.91Å; L14-Y18 WeakPolarHBondContact O-CB 3.38Å; L14-Y18 PolarHBondContact O-N 2.9Å
15	K	34.8	Very low	39.4	Very low	138 Å²	138	116.2 Å²	116.2	60%	0.6	59%	0.592	S	S	*	*	H	α-helix	trans	-79.2	-39.1	179.3	-158.8	177.2	-176.3	-175	0	111.2	F11 G12 F19	F11-K15 WeakPolarHBondContact O-CB 3.24Å; G12-K15 PolarHBondContact O-N 3.25Å; K15-F19 HydrophobicContact CG-CD2 4.27Å; K15-F19 HydrophobicContact CG-CE2 4.47Å; K15-F19 WeakPolarHBondContact O-CB 3.24Å; K15-F19 WeakPolarHBondContact O-CD2 3.17Å; K15-F19 PolarHBondContact O-N 3.09Å; K15-F19 VanDerWaalsContact O-N 3.14Å
16	D	39.3	Very low	39.4	Very low	120 Å²	120	114.6 Å²	114.6	64%	0.642	58%	0.584	S	S	*	*	H	α-helix	trans	-71.3	-35.1	177.4	-67.7	-21.8	0	0	0	112	G12 S20	G12-D16 PolarHBondContact O-N 2.82Å; G12-D16 VanDerWaalsContact O-N 3.08Å; D16-S20 WeakPolarHBondContact O-CB 3.26Å; D16-S20 PolarHBondContact O-N 3.29Å; D16-S20 VanDerWaalsContact O-N 3.13Å; D16-S20 PolarHBondContact O-OG 3.02Å
17	H	40.5	Very low	39.6	Very low	120 Å²	120	110.6 Å²	110.6	56%	0.556	57%	0.568	S	S	*	*	H	α-helix	trans	-76.3	-27.6	177.9	-154.1	-49.6	0	0	0	113.8	A13 S20 N21	A13-H17 VanDerWaalsContact O-CB 3.3Å; A13-H17 WeakPolarHBondContact O-CB 3.42Å; A13-H17 PolarHBondContact O-N 3.17Å; H17-S20 WeakPolarHBondContact CA-OG 3.41Å; H17-S20 PolarHBondContact O-OG 2.77Å; H17-N21 PolarHBondContact ND1-ND2 3.32Å; H17-N21 PolarHBondContact O-ND2 2.74Å
18	Y	36.6	Very low	39.8	Very low	166 Å²	166	106.8 Å²	106.8	65%	0.651	56%	0.56	S	S	*	*	H	α-helix	trans	-78	-38.8	173	-108	-97.3	0	0	0	112.1	L14 L22	L14-Y18 WeakPolarHBondContact O-CB 3.38Å; L14-Y18 PolarHBondContact O-N 2.9Å; Y18-L22 WeakPolarHBondContact O-CB 3.3Å; Y18-L22 WeakPolarHBondContact O-CD1 3.16Å; Y18-L22 PolarHBondContact O-N 2.79Å; Y18-L22 VanDerWaalsContact O-N 3.16Å
19	F	35.9	Very low	40	Very low	144 Å²	144	102.1 Å²	102.1	63%	0.632	55%	0.546	S	S	*	.	H	α-helix	trans	-73.5	-30.9	179.2	-95.1	-90	0	0	0	113.4	K15 S23	K15-F19 HydrophobicContact CG-CD2 4.27Å; K15-F19 HydrophobicContact CG-CE2 4.47Å; K15-F19 WeakPolarHBondContact O-CB 3.24Å; K15-F19 WeakPolarHBondContact O-CD2 3.17Å; K15-F19 PolarHBondContact O-N 3.09Å; K15-F19 VanDerWaalsContact O-N 3.14Å; F19-S23 WeakPolarHBondContact O-CB 3.07Å; F19-S23 PolarHBondContact O-N 3.37Å; F19-S23 VanDerWaalsContact O-N 3.1Å
20	S	39.7	Very low	40.1	Very low	54 Å²	54	102.3 Å²	102.3	38%	0.378	54%	0.54	S	S	.	.	H	α-helix	trans	-70.2	-43.3	174.4	37.8	0	0	0	0	112.2	D16 H17 L22 S23 E24	D16-S20 WeakPolarHBondContact O-CB 3.26Å; D16-S20 PolarHBondContact O-N 3.29Å; D16-S20 VanDerWaalsContact O-N 3.13Å; D16-S20 PolarHBondContact O-OG 3.02Å; H17-S20 WeakPolarHBondContact CA-OG 3.41Å; H17-S20 PolarHBondContact O-OG 2.77Å; S20-L22 PolarHBondContact O-N 2.89Å; S20-S23 WeakPolarHBondContact O-CB 3.38Å; S20-S23 PolarHBondContact O-N 3.49Å; S20-E24 PolarHBondContact O-N 2.91Å
21	N	40.3	Very low	40.1	Very low	89 Å²	89	103.9 Å²	103.9	48%	0.476	54%	0.541	S	S	.	.	H	α-helix	trans	-67.6	-33.1	176	-73.2	-13.3	0	0	0	113.5	H17 G25	H17-N21 PolarHBondContact ND1-ND2 3.32Å; H17-N21 PolarHBondContact O-ND2 2.74Å; N21-G25 PolarHBondContact O-N 2.69Å; N21-G25 VanDerWaalsContact O-N 3.08Å
22	L	39.4	Very low	40.4	Very low	100 Å²	100	101.7 Å²	101.7	52%	0.524	54%	0.536	S	S	.	.	H	α-helix	trans	-70.9	-32.1	172.8	-92.9	149.7	0	0	0	112.3	Y18 S20 F26	Y18-L22 WeakPolarHBondContact O-CB 3.3Å; Y18-L22 WeakPolarHBondContact O-CD1 3.16Å; Y18-L22 PolarHBondContact O-N 2.79Å; Y18-L22 VanDerWaalsContact O-N 3.16Å; S20-L22 PolarHBondContact O-N 2.89Å; L22-F26 WeakPolarHBondContact O-CB 3.42Å; L22-F26 WeakPolarHBondContact O-CD2 3.16Å; L22-F26 PolarHBondContact O-N 2.97Å
23	S	39.1	Very low	40.7	Very low	81 Å²	81	104.8 Å²	104.8	57%	0.566	54%	0.544	S	S	*	.	H	α-helix	trans	-73.6	-40.4	175.6	-178.6	0	0	0	0	112.2	F19 S20 S27	F19-S23 WeakPolarHBondContact O-CB 3.07Å; F19-S23 PolarHBondContact O-N 3.37Å; F19-S23 VanDerWaalsContact O-N 3.1Å; S20-S23 WeakPolarHBondContact O-CB 3.38Å; S20-S23 PolarHBondContact O-N 3.49Å; S23-S27 WeakPolarHBondContact O-CB 3.28Å; S23-S27 PolarHBondContact O-N 2.89Å; S23-S27 VanDerWaalsContact O-N 3.08Å
24	E	43.3	Very low	40.7	Very low	128 Å²	128	107.7 Å²	107.7	60%	0.598	55%	0.547	S	S	*	.	H	α-helix	trans	-68.8	-43.5	176.6	-81.9	-178.9	156.3	0	0	111.8	S20 F26 S27 E28	S20-E24 PolarHBondContact O-N 2.91Å; E24-F26 VanDerWaalsContact C-N 3.31Å; E24-F26 PolarHBondContact O-N 2.8Å; E24-S27 WeakPolarHBondContact O-CB 3.42Å; E24-S27 PolarHBondContact O-N 3.01Å; E24-E28 PolarHBondContact O-N 3.25Å
25	G	41.8	Very low	40.8	Very low	31 Å²	31	106.2 Å²	106.2	32%	0.32	55%	0.55	S	S	.	.	H	α-helix	trans	-63.5	-34.2	175.6	0	0	0	0	0	113.4	N21 T29	N21-G25 PolarHBondContact O-N 2.69Å; N21-G25 VanDerWaalsContact O-N 3.08Å; G25-T29 WeakPolarHBondContact O-CB 3.48Å; G25-T29 PolarHBondContact O-N 3.19Å; G25-T29 VanDerWaalsContact O-N 3.12Å; G25-T29 PolarHBondContact O-OG1 2.84Å
26	F	40.4	Very low	41.1	Very low	143 Å²	143	103.6 Å²	103.6	63%	0.627	55%	0.549	S	S	*	.	H	α-helix	trans	-69	-36.2	171.8	-104.7	-93.6	0	0	0	112.3	L22 E24 L30	L22-F26 WeakPolarHBondContact O-CB 3.42Å; L22-F26 WeakPolarHBondContact O-CD2 3.16Å; L22-F26 PolarHBondContact O-N 2.97Å; E24-F26 VanDerWaalsContact C-N 3.31Å; E24-F26 PolarHBondContact O-N 2.8Å; F26-L30 WeakPolarHBondContact O-CB 3.46Å; F26-L30 WeakPolarHBondContact O-CD1 3.39Å; F26-L30 PolarHBondContact O-N 3.22Å
27	S	42.6	Very low	41.3	Very low	68 Å²	68	101.3 Å²	101.3	48%	0.476	54%	0.539	S	S	.	.	H	α-helix	trans	-70.2	-39.6	178.6	-163.3	0	0	0	0	112.4	S23 E24 L30 H31	S23-S27 WeakPolarHBondContact O-CB 3.28Å; S23-S27 PolarHBondContact O-N 2.89Å; S23-S27 VanDerWaalsContact O-N 3.08Å; E24-S27 WeakPolarHBondContact O-CB 3.42Å; E24-S27 PolarHBondContact O-N 3.01Å; S27-L30 PolarHBondContact O-N 3.43Å; S27-H31 WeakPolarHBondContact O-CB 3.33Å; S27-H31 PolarHBondContact O-N 2.75Å
28	E	42	Very low	41.3	Very low	140 Å²	140	101.1 Å²	101.1	65%	0.654	55%	0.551	S	S	*	*	H	α-helix	trans	-66.3	-41.3	173.5	-95.7	-178.9	153.9	0	0	111.9	E24 L30 H31 L32	E24-E28 PolarHBondContact O-N 3.25Å; E28-L30 VanDerWaalsContact C-N 3.33Å; E28-L30 PolarHBondContact O-N 2.88Å; E28-H31 PolarHBondContact O-N 3.42Å; E28-L32 WeakPolarHBondContact O-CB 3.48Å; E28-L32 WeakPolarHBondContact O-CG 3.38Å; E28-L32 PolarHBondContact O-N 3.26Å
29	T	43.6	Very low	41.8	Very low	79 Å²	79	97.9 Å²	97.9	49%	0.485	55%	0.552	S	S	.	*	H	α-helix	trans	-64.7	-39.1	175.6	-48.3	0	0	0	0	111	G25 I33	G25-T29 WeakPolarHBondContact O-CB 3.48Å; G25-T29 PolarHBondContact O-N 3.19Å; G25-T29 VanDerWaalsContact O-N 3.12Å; G25-T29 PolarHBondContact O-OG1 2.84Å; T29-I33 HydrophobicContact CG2-CD1 4.12Å; T29-I33 WeakPolarHBondContact O-CB 3.41Å; T29-I33 WeakPolarHBondContact O-CD1 3.36Å; T29-I33 WeakPolarHBondContact O-CG1 3.44Å; T29-I33 PolarHBondContact O-N 2.94Å
30	L	44.9	Very low	42	Very low	93 Å²	93	96.9 Å²	96.9	49%	0.487	55%	0.553	S	S	.	*	H	α-helix	trans	-66.4	-38	174	-101.5	139	0	0	0	112.5	F26 S27 E28 I33 E34	F26-L30 WeakPolarHBondContact O-CB 3.46Å; F26-L30 WeakPolarHBondContact O-CD1 3.39Å; F26-L30 PolarHBondContact O-N 3.22Å; S27-L30 PolarHBondContact O-N 3.43Å; E28-L30 VanDerWaalsContact C-N 3.33Å; E28-L30 PolarHBondContact O-N 2.88Å; L30-I33 PolarHBondContact O-N 3.16Å; L30-E34 WeakPolarHBondContact O-CB 3.18Å; L30-E34 PolarHBondContact O-N 3.36Å
31	H	44.8	Very low	42.5	Very low	125 Å²	125	98 Å²	98	58%	0.579	56%	0.56	S	S	*	*	H	α-helix	trans	-70.5	-37.3	176.3	-105.7	-34.7	0	0	0	113	S27 E28 I33 E34 A35	S27-H31 WeakPolarHBondContact O-CB 3.33Å; S27-H31 PolarHBondContact O-N 2.75Å; E28-H31 PolarHBondContact O-N 3.42Å; H31-I33 VanDerWaalsContact C-N 3.32Å; H31-E34 IonicContact CE1-OE2 3.73Å; H31-E34 IonicContact ND1-OE2 3.79Å; H31-E34 PolarHBondContact O-N 3.29Å; H31-A35 WeakPolarHBondContact O-CB 3.39Å; H31-A35 PolarHBondContact O-N 3.37Å
32	L	43.8	Very low	42.7	Very low	120 Å²	120	99 Å²	99	63%	0.628	57%	0.57	S	S	*	*	H	α-helix	trans	-67.3	-34.6	173.3	-74.2	165.7	0	0	0	111.8	E28 S36	E28-L32 WeakPolarHBondContact O-CB 3.48Å; E28-L32 WeakPolarHBondContact O-CG 3.38Å; E28-L32 PolarHBondContact O-N 3.26Å; L32-S36 WeakPolarHBondContact O-CB 3.23Å; L32-S36 PolarHBondContact O-N 2.87Å; L32-S36 PolarHBondContact O-OG 3.42Å
33	I	43.8	Very low	43	Very low	97 Å²	97	101.9 Å²	101.9	50%	0.497	58%	0.579	S	S	.	*	H	α-helix	trans	-68.4	-45.3	171.6	-69.4	165.4	0	0	0	110.4	T29 L30 H31 A35 S36 V37	T29-I33 HydrophobicContact CG2-CD1 4.12Å; T29-I33 WeakPolarHBondContact O-CB 3.41Å; T29-I33 WeakPolarHBondContact O-CD1 3.36Å; T29-I33 WeakPolarHBondContact O-CG1 3.44Å; T29-I33 PolarHBondContact O-N 2.94Å; L30-I33 PolarHBondContact O-N 3.16Å; H31-I33 VanDerWaalsContact C-N 3.32Å; I33-A35 PolarHBondContact O-N 2.76Å; I33-S36 PolarHBondContact O-N 2.82Å; I33-V37 HydrophobicContact CG2-CG2 4.08Å; I33-V37 WeakPolarHBondContact O-CB 3.47Å; I33-V37 WeakPolarHBondContact O-CG2 3.46Å; I33-V37 PolarHBondContact O-N 3.41Å; I33-V37 VanDerWaalsContact O-N 3.1Å
34	E	39.7	Very low	43.6	Very low	124 Å²	124	100.6 Å²	100.6	58%	0.579	57%	0.567	S	S	*	*	H	α-helix	trans	-63.9	-38.3	177.2	-81.5	-176	158.2	0	0	113	L30 H31 S36 V37	L30-E34 WeakPolarHBondContact O-CB 3.18Å; L30-E34 PolarHBondContact O-N 3.36Å; H31-E34 IonicContact CE1-OE2 3.73Å; H31-E34 IonicContact ND1-OE2 3.79Å; H31-E34 PolarHBondContact O-N 3.29Å; E34-S36 VanDerWaalsContact C-N 3.28Å; E34-S36 PolarHBondContact O-N 3.21Å; E34-V37 PolarHBondContact O-N 3.32Å
35	A	41.4	Very low	43.7	Very low	71 Å²	71	103.5 Å²	103.5	59%	0.587	57%	0.573	S	S	*	*	H	α-helix	trans	-66.1	-30.5	175.7	0	0	0	0	0	112.6	H31 I33	H31-A35 WeakPolarHBondContact O-CB 3.39Å; H31-A35 PolarHBondContact O-N 3.37Å; I33-A35 PolarHBondContact O-N 2.76Å
36	S	39.8	Very low	44	Very low	83 Å²	83	108.1 Å²	108.1	58%	0.58	59%	0.586	S	S	*	*	H	α-helix	trans	-85.8	-14.2	178.9	-55.4	0	0	0	0	113.9	L32 I33 E34 S38	L32-S36 WeakPolarHBondContact O-CB 3.23Å; L32-S36 PolarHBondContact O-N 2.87Å; L32-S36 PolarHBondContact O-OG 3.42Å; I33-S36 PolarHBondContact O-N 2.82Å; E34-S36 VanDerWaalsContact C-N 3.28Å; E34-S36 PolarHBondContact O-N 3.21Å; S36-S38 PolarHBondContact O-N 3.45Å
37	V	43.5	Very low	44.6	Very low	72 Å²	72	105.2 Å²	105.2	44%	0.436	58%	0.58	S	S	.	*	G	3₁₀ helix	trans	-85.2	-4.4	-171.4	162.5	0	0	0	0	114	I33 E34 S39	I33-V37 HydrophobicContact CG2-CG2 4.08Å; I33-V37 WeakPolarHBondContact O-CB 3.47Å; I33-V37 WeakPolarHBondContact O-CG2 3.46Å; I33-V37 PolarHBondContact O-N 3.41Å; I33-V37 VanDerWaalsContact O-N 3.1Å; E34-V37 PolarHBondContact O-N 3.32Å; V37-S39 PolarHBondContact O-N 3.16Å; V37-S39 VanDerWaalsContact O-N 3.12Å
38	S	41.8	Very low	45	Very low	115 Å²	115	103.7 Å²	103.7	80%	0.804	57%	0.571	S	S	*	*	G	3₁₀ helix	trans	-69.9	-4.9	178	59.7	0	0	0	0	114.7	S36	S36-S38 PolarHBondContact O-N 3.45Å
39	S	45.9	Very low	45.9	Very low	98 Å²	98	103.5 Å²	103.5	69%	0.685	57%	0.568	S	S	*	*	G	3₁₀ helix	trans	-131.2	3.1	-178.6	77.5	0	0	0	0	118.5	V37	V37-S39 PolarHBondContact O-N 3.16Å; V37-S39 VanDerWaalsContact O-N 3.12Å
40	L	40.6	Very low	46.8	Very low	124 Å²	124	109 Å²	109	65%	0.649	58%	0.58	S	S	*	*			trans	-118.2	133.2	-172.4	-106.6	76.6	0	0	0	116.6	T44	L40-T44 PolarHBondContact O-OG1 3.03Å
41	S	50.8	Low	47.6	Very low	76 Å²	76	109.3 Å²	109.3	53%	0.531	58%	0.582	S	S	.	*			trans	-66.4	-172.7	-168.3	77.6	0	0	0	0	117.2	K43 T44	S41-K43 PolarHBondContact O-N 3.1Å; S41-T44 PolarHBondContact O-N 3.12Å; S41-T44 VanDerWaalsContact O-N 3.08Å; S41-T44 PolarHBondContact O-OG1 3.07Å
42	T	44.6	Very low	48.8	Very low	111 Å²	111	111.8 Å²	111.8	68%	0.681	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-40.1	-22.2	177.8	46.8	0	0	0	0	117	R45	T42-R45 PolarHBondContact O-N 3.2Å
43	K	44.7	Very low	49.9	Very low	161 Å²	161	109 Å²	109	70%	0.7	58%	0.576	S	S	*	*	H	α-helix	trans	-62.5	-39.8	175.7	-68.3	180	179.5	178.2	0	113	S41 R45 H46 T47	S41-K43 PolarHBondContact O-N 3.1Å; K43-R45 VanDerWaalsContact C-N 3.26Å; K43-R45 PolarHBondContact O-N 3.18Å; K43-H46 PolarHBondContact O-N 3.14Å; K43-H46 VanDerWaalsContact O-N 3.13Å; K43-T47 PolarHBondContact O-N 3.31Å; K43-T47 VanDerWaalsContact O-N 3.16Å; K43-T47 PolarHBondContact O-OG1 3.2Å
44	T	50.8	Low	50.9	Low	54 Å²	54	107.8 Å²	107.8	33%	0.331	57%	0.57	S	S	.	*	H	α-helix	trans	-62.9	-33.9	-178.6	-23.8	0	0	0	0	111.8	L40 S41 A48	L40-T44 PolarHBondContact O-OG1 3.03Å; S41-T44 PolarHBondContact O-N 3.12Å; S41-T44 VanDerWaalsContact O-N 3.08Å; S41-T44 PolarHBondContact O-OG1 3.07Å; T44-A48 WeakPolarHBondContact O-CB 3.18Å; T44-A48 PolarHBondContact O-N 3.12Å
45	R	45.9	Very low	52.3	Low	188 Å²	188	105.8 Å²	105.8	71%	0.709	57%	0.566	S	S	*	*	H	α-helix	trans	-69.7	-35.1	177.4	-169.9	-178.9	-76.3	-171.9	-3.2	112.5	T42 K43 K49	T42-R45 PolarHBondContact O-N 3.2Å; K43-R45 VanDerWaalsContact C-N 3.26Å; K43-R45 PolarHBondContact O-N 3.18Å; R45-K49 WeakPolarHBondContact O-CG 3.42Å; R45-K49 PolarHBondContact O-N 2.91Å
46	H	48.9	Very low	53.7	Low	129 Å²	129	108.7 Å²	108.7	60%	0.597	57%	0.566	S	S	*	*	H	α-helix	trans	-72.1	-40.7	176.3	-85.1	-81.4	0	0	0	111.9	K43 K49 R50	K43-H46 PolarHBondContact O-N 3.14Å; K43-H46 VanDerWaalsContact O-N 3.13Å; H46-K49 PolarHBondContact O-N 3.2Å; H46-R50 WeakPolarHBondContact O-CG 3.44Å; H46-R50 PolarHBondContact O-N 2.92Å
47	T	52.5	Low	55	Low	82 Å²	82	108.2 Å²	108.2	50%	0.503	55%	0.554	S	S	.	*	H	α-helix	trans	-62.6	-45.6	175.7	-51.4	0	0	0	0	111.4	K43 K49 R50 L51	K43-T47 PolarHBondContact O-N 3.31Å; K43-T47 VanDerWaalsContact O-N 3.16Å; K43-T47 PolarHBondContact O-OG1 3.2Å; T47-K49 VanDerWaalsContact C-N 3.29Å; T47-K49 PolarHBondContact O-N 3.39Å; T47-R50 PolarHBondContact O-N 2.87Å; T47-R50 VanDerWaalsContact O-N 3.15Å; T47-L51 HydrophobicContact CG2-CD1 4.26Å; T47-L51 WeakPolarHBondContact O-CG 3.29Å; T47-L51 PolarHBondContact O-N 2.67Å
48	A	51.8	Low	56.2	Low	35 Å²	35	107.6 Å²	107.6	29%	0.289	55%	0.548	S	S	.	.	H	α-helix	trans	-62.6	-32.3	176.5	0	0	0	0	0	113.5	T44 R52	T44-A48 WeakPolarHBondContact O-CB 3.18Å; T44-A48 PolarHBondContact O-N 3.12Å; A48-R52 WeakPolarHBondContact O-CG 3.36Å; A48-R52 PolarHBondContact O-N 3.27Å; A48-R52 PolarHBondContact O-NE 3.26Å
49	K	60.7	Low	57.6	Low	137 Å²	137	109.3 Å²	109.3	60%	0.596	54%	0.543	S	S	*	.	H	α-helix	trans	-70.3	-41.4	173.3	-80.3	-178.3	177.1	-176.7	0	112.1	R45 H46 T47 R52 C53	R45-K49 WeakPolarHBondContact O-CG 3.42Å; R45-K49 PolarHBondContact O-N 2.91Å; H46-K49 PolarHBondContact O-N 3.2Å; T47-K49 VanDerWaalsContact C-N 3.29Å; T47-K49 PolarHBondContact O-N 3.39Å; K49-R52 PolarHBondContact O-N 2.77Å; K49-C53 PolarHBondContact O-N 3.16Å
50	R	61.2	Low	59	Low	194 Å²	194	113.3 Å²	113.3	73%	0.732	54%	0.543	S	S	*	.	H	α-helix	trans	-65.6	-42.2	177.6	-71.5	177.7	103.1	172.5	4.5	111.5	H46 T47 R52 C53 L54	H46-R50 WeakPolarHBondContact O-CG 3.44Å; H46-R50 PolarHBondContact O-N 2.92Å; T47-R50 PolarHBondContact O-N 2.87Å; T47-R50 VanDerWaalsContact O-N 3.15Å; R50-R52 PolarHBondContact O-N 2.6Å; R50-C53 WeakPolarHBondContact O-CB 3.47Å; R50-C53 PolarHBondContact O-N 2.75Å; R50-C53 VanDerWaalsContact O-N 3.15Å; R50-L54 WeakPolarHBondContact O-CG 3.5Å; R50-L54 PolarHBondContact O-N 2.69Å
51	L	61.8	Low	60.4	Low	99 Å²	99	110.5 Å²	110.5	52%	0.518	55%	0.545	S	S	.	.	H	α-helix	trans	-61.5	-44.8	175.4	-71.6	170.6	0	0	0	111.9	T47 C53 L54 V55	T47-L51 HydrophobicContact CG2-CD1 4.26Å; T47-L51 WeakPolarHBondContact O-CG 3.29Å; T47-L51 PolarHBondContact O-N 2.67Å; L51-C53 VanDerWaalsContact C-N 3.27Å; L51-C53 PolarHBondContact O-N 2.94Å; L51-L54 PolarHBondContact O-N 2.62Å; L51-V55 WeakPolarHBondContact O-CG2 3.45Å; L51-V55 PolarHBondContact O-N 2.63Å
52	R	69.6	Low	61.3	Low	177 Å²	177	113.1 Å²	113.1	67%	0.668	55%	0.549	S	S	*	.	H	α-helix	trans	-64.4	-29.7	174.7	-74.2	-174.2	-118	-153.1	-4.9	113.6	A48 K49 R50 K56	A48-R52 WeakPolarHBondContact O-CG 3.36Å; A48-R52 PolarHBondContact O-N 3.27Å; A48-R52 PolarHBondContact O-NE 3.26Å; K49-R52 PolarHBondContact O-N 2.77Å; R50-R52 PolarHBondContact O-N 2.6Å; R52-K56 WeakPolarHBondContact O-CG 3.11Å; R52-K56 PolarHBondContact O-N 2.74Å
53	C	68.1	Low	62.3	Low	63 Å²	63	109.2 Å²	109.2	43%	0.426	53%	0.528	S	S	.	.	H	α-helix	trans	-70.7	-43.3	174.6	-167	0	0	0	0	111.4	K49 R50 L51 V55 K56 Q57	K49-C53 PolarHBondContact O-N 3.16Å; R50-C53 WeakPolarHBondContact O-CB 3.47Å; R50-C53 PolarHBondContact O-N 2.75Å; R50-C53 VanDerWaalsContact O-N 3.15Å; L51-C53 VanDerWaalsContact C-N 3.27Å; L51-C53 PolarHBondContact O-N 2.94Å; C53-V55 VanDerWaalsContact C-N 3.35Å; C53-V55 PolarHBondContact O-N 3.46Å; C53-K56 PolarHBondContact O-N 3.3Å; C53-Q57 WeakPolarHBondContact O-CG 3.45Å; C53-Q57 PolarHBondContact O-N 3.37Å
54	L	64.6	Low	63.8	Low	71 Å²	71	104.1 Å²	104.1	37%	0.372	51%	0.512	S	S	.	.	H	α-helix	trans	-62.3	-41	176.8	-75.2	165.3	0	0	0	111.9	R50 L51 Q57 L58	R50-L54 WeakPolarHBondContact O-CG 3.5Å; R50-L54 PolarHBondContact O-N 2.69Å; L51-L54 PolarHBondContact O-N 2.62Å; L54-Q57 PolarHBondContact O-N 2.75Å; L54-L58 PolarHBondContact O-N 2.94Å
55	V	68.1	Low	64.8	Low	82 Å²	82	107.9 Å²	107.9	50%	0.497	53%	0.53	S	S	.	.	H	α-helix	trans	-61.5	-45.2	175	172.6	0	0	0	0	111.3	L51 C53 Q57 L58 E59	L51-V55 WeakPolarHBondContact O-CG2 3.45Å; L51-V55 PolarHBondContact O-N 2.63Å; C53-V55 VanDerWaalsContact C-N 3.35Å; C53-V55 PolarHBondContact O-N 3.46Å; V55-Q57 VanDerWaalsContact C-N 3.33Å; V55-Q57 PolarHBondContact O-N 3.49Å; V55-L58 WeakPolarHBondContact O-CB 3.42Å; V55-L58 PolarHBondContact O-N 3.45Å; V55-E59 WeakPolarHBondContact O-CG 3.28Å; V55-E59 PolarHBondContact O-N 3.09Å
56	K	72.3	Confident	66.1	Low	131 Å²	131	102.2 Å²	102.2	57%	0.57	52%	0.523	S	S	*	.	H	α-helix	trans	-64.4	-34.9	177.4	-76	-178.4	177.8	-174.5	0	113.3	R52 C53 L58 R60	R52-K56 WeakPolarHBondContact O-CG 3.11Å; R52-K56 PolarHBondContact O-N 2.74Å; C53-K56 PolarHBondContact O-N 3.3Å; K56-L58 VanDerWaalsContact C-N 3.34Å; K56-R60 WeakPolarHBondContact O-CB 3.29Å; K56-R60 VanDerWaalsContact O-CG 3.25Å; K56-R60 WeakPolarHBondContact O-CG 3.12Å; K56-R60 PolarHBondContact O-N 3.23Å
57	Q	67.5	Low	67.3	Low	73 Å²	73	100.1 Å²	100.1	34%	0.341	52%	0.516	S	S	.	.	H	α-helix	trans	-69.3	-35.1	175.3	-74.5	173.5	-20.1	0	0	111.5	C53 L54 V55 R60 G61 E62 A63	C53-Q57 WeakPolarHBondContact O-CG 3.45Å; C53-Q57 PolarHBondContact O-N 3.37Å; L54-Q57 PolarHBondContact O-N 2.75Å; V55-Q57 VanDerWaalsContact C-N 3.33Å; V55-Q57 PolarHBondContact O-N 3.49Å; Q57-R60 PolarHBondContact O-N 3.35Å; Q57-G61 PolarHBondContact O-N 3.09Å; Q57-E62 HydrophobicContact CB-CB 4.46Å; Q57-E62 PolarHBondContact O-N 2.87Å; Q57-A63 HydrophobicContact CB-CB 4.26Å; Q57-A63 PolarHBondContact O-N 3.02Å
58	L	68.1	Low	68.2	Low	59 Å²	59	98.3 Å²	98.3	31%	0.309	50%	0.503	S	S	.	.	H	α-helix	trans	-67.3	-44.5	174.1	-148.9	84.6	0	0	0	111.8	L54 V55 K56 R60 G61 A63 L65 L68	L54-L58 PolarHBondContact O-N 2.94Å; V55-L58 WeakPolarHBondContact O-CB 3.42Å; V55-L58 PolarHBondContact O-N 3.45Å; K56-L58 VanDerWaalsContact C-N 3.34Å; L58-R60 PolarHBondContact O-N 2.99Å; L58-G61 PolarHBondContact O-N 3.15Å; L58-G61 VanDerWaalsContact O-N 3.09Å; L58-A63 HydrophobicContact CD1-CB 4.22Å; L58-L65 HydrophobicContact CD2-CD1 4.48Å; L58-L68 HydrophobicContact CD1-CB 3.9Å; L58-L68 HydrophobicContact CD1-CD2 3.69Å; L58-L68 HydrophobicContact CD1-CG 4.34Å; L58-L68 HydrophobicContact CD2-CD2 3.71Å; L58-L68 HydrophobicContact CG-CD2 4.29Å
59	E	71.4	Confident	69	Low	151 Å²	151	102.8 Å²	102.8	71%	0.706	52%	0.516	S	S	*	.	H	α-helix	trans	-62.9	-29.4	177.5	-73.5	175.9	165.3	0	0	112.9	V55 G61	V55-E59 WeakPolarHBondContact O-CG 3.28Å; V55-E59 PolarHBondContact O-N 3.09Å; E59-G61 VanDerWaalsContact C-N 3.34Å
60	R	76.1	Confident	69.7	Low	182 Å²	182	103.3 Å²	103.3	69%	0.687	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-3.9	177.1	-69.3	174.3	-179.8	-143.6	-3.7	113.7	K56 Q57 L58 E62	K56-R60 WeakPolarHBondContact O-CB 3.29Å; K56-R60 VanDerWaalsContact O-CG 3.25Å; K56-R60 WeakPolarHBondContact O-CG 3.12Å; K56-R60 PolarHBondContact O-N 3.23Å; Q57-R60 PolarHBondContact O-N 3.35Å; L58-R60 PolarHBondContact O-N 2.99Å; R60-E62 HydrophobicContact CB-CG 3.93Å; R60-E62 PolarHBondContact O-N 2.86Å
61	G	68.6	Low	70.2	Confident	66 Å²	66	98.7 Å²	98.7	68%	0.68	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.2	14.4	-175.6	0	0	0	0	0	114.2	Q57 L58 E59	Q57-G61 PolarHBondContact O-N 3.09Å; L58-G61 PolarHBondContact O-N 3.15Å; L58-G61 VanDerWaalsContact O-N 3.09Å; E59-G61 VanDerWaalsContact C-N 3.34Å
62	E	70.8	Confident	70.6	Confident	131 Å²	131	98.9 Å²	98.9	61%	0.612	51%	0.51	S	S	*	.	S	Bend	trans	-81.4	-19	-179.4	-66.7	172	-169.4	0	0	112.1	Q57 R60	Q57-E62 HydrophobicContact CB-CB 4.46Å; Q57-E62 PolarHBondContact O-N 2.87Å; R60-E62 HydrophobicContact CB-CG 3.93Å; R60-E62 PolarHBondContact O-N 2.86Å
63	A	65.9	Low	70.6	Confident	29 Å²	29	95.8 Å²	95.8	24%	0.24	50%	0.502	C	S	.	.	S	Bend	trans	-119.8	132	173.3	0	0	0	0	0	109.9	Q57 L58	Q57-A63 HydrophobicContact CB-CB 4.26Å; Q57-A63 PolarHBondContact O-N 3.02Å; L58-A63 HydrophobicContact CD1-CB 4.22Å
64	S	76.3	Confident	70.6	Confident	54 Å²	54	100.3 Å²	100.3	38%	0.378	51%	0.512	S	S	.	.			trans	-73.7	143.4	177.5	88.6	0	0	0	0	110.5	A66 D67 L68	S64-A66 PolarHBondContact O-N 3.4Å; S64-D67 WeakPolarHBondContact CB-OD2 3.49Å; S64-D67 PolarHBondContact O-N 2.9Å; S64-D67 PolarHBondContact OG-N 3.46Å; S64-D67 VanDerWaalsContact OG-N 3.08Å; S64-D67 PolarHBondContact OG-OD2 2.88Å; S64-L68 PolarHBondContact O-N 3.16Å; S64-L68 VanDerWaalsContact O-N 3.14Å
65	L	71.3	Confident	70.7	Confident	132 Å²	132	99.1 Å²	99.1	69%	0.691	51%	0.512	S	S	*	.	H	α-helix	trans	-57.7	-29.9	175.2	-175.8	65.5	0	0	0	111.8	L58 K69	L58-L65 HydrophobicContact CD2-CD1 4.48Å; L65-K69 WeakPolarHBondContact O-CB 3.46Å; L65-K69 PolarHBondContact O-N 3.43Å; L65-K69 VanDerWaalsContact O-N 3.08Å
66	A	73.8	Confident	70.6	Confident	70 Å²	70	97.2 Å²	97.2	58%	0.579	51%	0.505	S	S	*	.	H	α-helix	trans	-67.3	-41.3	176.2	0	0	0	0	0	112.1	S64 K69 K70	S64-A66 PolarHBondContact O-N 3.4Å; A66-K69 PolarHBondContact O-N 3.49Å; A66-K70 WeakPolarHBondContact O-CB 3.19Å; A66-K70 PolarHBondContact O-N 3.39Å
67	D	72.4	Confident	70.3	Confident	84 Å²	84	94.1 Å²	94.1	45%	0.449	50%	0.5	S	S	.	.	H	α-helix	trans	-69.7	-37.6	178.2	-63.1	-44.8	0	0	0	111.6	S64 K70 N71	S64-D67 WeakPolarHBondContact CB-OD2 3.49Å; S64-D67 PolarHBondContact O-N 2.9Å; S64-D67 PolarHBondContact OG-N 3.46Å; S64-D67 VanDerWaalsContact OG-N 3.08Å; S64-D67 PolarHBondContact OG-OD2 2.88Å; D67-K70 PolarHBondContact O-N 3.39Å; D67-N71 WeakPolarHBondContact O-CB 3.19Å; D67-N71 VanDerWaalsContact O-CG 3.29Å; D67-N71 PolarHBondContact O-N 2.76Å; D67-N71 PolarHBondContact O-ND2 3.4Å
68	L	71.8	Confident	70.2	Confident	44 Å²	44	93.3 Å²	93.3	23%	0.23	50%	0.5	C	S	.	.	H	α-helix	trans	-64	-44.4	174.9	-175.8	66.1	0	0	0	111	L58 S64 K70 N71 L72	L58-L68 HydrophobicContact CD1-CB 3.9Å; L58-L68 HydrophobicContact CD1-CD2 3.69Å; L58-L68 HydrophobicContact CD1-CG 4.34Å; L58-L68 HydrophobicContact CD2-CD2 3.71Å; L58-L68 HydrophobicContact CG-CD2 4.29Å; S64-L68 PolarHBondContact O-N 3.16Å; S64-L68 VanDerWaalsContact O-N 3.14Å; L68-K70 PolarHBondContact O-N 2.96Å; L68-N71 PolarHBondContact O-N 3.33Å; L68-L72 HydrophobicContact CD1-CD1 4.34Å; L68-L72 HydrophobicContact CD1-CG 4.4Å; L68-L72 HydrophobicContact CG-CD1 4.01Å; L68-L72 HydrophobicContact CG-CG 4.47Å; L68-L72 WeakPolarHBondContact O-CB 3.33Å; L68-L72 WeakPolarHBondContact O-CG 3.31Å; L68-L72 PolarHBondContact O-N 3.1Å
69	K	69.4	Low	70.1	Confident	129 Å²	129	96.3 Å²	96.3	56%	0.561	52%	0.516	S	S	*	.	H	α-helix	trans	-58.9	-48.5	176.7	-176.5	177.9	171.5	-178.7	0	111.2	L65 A66 N71 L72 E73	L65-K69 WeakPolarHBondContact O-CB 3.46Å; L65-K69 PolarHBondContact O-N 3.43Å; L65-K69 VanDerWaalsContact O-N 3.08Å; A66-K69 PolarHBondContact O-N 3.49Å; K69-N71 VanDerWaalsContact C-N 3.35Å; K69-N71 PolarHBondContact O-N 2.93Å; K69-L72 PolarHBondContact O-N 2.97Å; K69-E73 WeakPolarHBondContact CE-OE1 3.17Å; K69-E73 IonicContact NZ-OE1 2.73Å; K69-E73 WeakPolarHBondContact O-CG 3.16Å; K69-E73 PolarHBondContact O-N 2.87Å
70	K	74.8	Confident	69.9	Low	148 Å²	148	95 Å²	95	64%	0.643	51%	0.51	S	S	*	.	H	α-helix	trans	-62.1	-40.3	179	-171.4	177.7	-180	-179.7	0	112.6	A66 D67 L68 Y74	A66-K70 WeakPolarHBondContact O-CB 3.19Å; A66-K70 PolarHBondContact O-N 3.39Å; D67-K70 PolarHBondContact O-N 3.39Å; L68-K70 PolarHBondContact O-N 2.96Å; K70-Y74 VanDerWaalsContact O-CB 3.31Å; K70-Y74 WeakPolarHBondContact O-CB 3.29Å; K70-Y74 PolarHBondContact O-N 3.47Å
71	N	71.1	Confident	69.1	Low	98 Å²	98	89 Å²	89	52%	0.524	50%	0.496	S	S	.	.	H	α-helix	trans	-70.6	-34.2	178.3	-76.1	-48.2	0	0	0	112.6	D67 L68 K69 A75	D67-N71 WeakPolarHBondContact O-CB 3.19Å; D67-N71 VanDerWaalsContact O-CG 3.29Å; D67-N71 PolarHBondContact O-N 2.76Å; D67-N71 PolarHBondContact O-ND2 3.4Å; L68-N71 PolarHBondContact O-N 3.33Å; K69-N71 VanDerWaalsContact C-N 3.35Å; K69-N71 PolarHBondContact O-N 2.93Å; N71-A75 VanDerWaalsContact O-CB 3.31Å; N71-A75 WeakPolarHBondContact O-CB 3.32Å; N71-A75 PolarHBondContact O-N 3.42Å
72	L	71.1	Confident	68.9	Low	103 Å²	103	89.1 Å²	89.1	54%	0.539	48%	0.483	S	S	.	.	H	α-helix	trans	-70.7	-42.9	174.4	-73.7	171.7	0	0	0	111.7	L68 K69 Y74 A75 A76	L68-L72 HydrophobicContact CD1-CD1 4.34Å; L68-L72 HydrophobicContact CD1-CG 4.4Å; L68-L72 HydrophobicContact CG-CD1 4.01Å; L68-L72 HydrophobicContact CG-CG 4.47Å; L68-L72 WeakPolarHBondContact O-CB 3.33Å; L68-L72 WeakPolarHBondContact O-CG 3.31Å; L68-L72 PolarHBondContact O-N 3.1Å; K69-L72 PolarHBondContact O-N 2.97Å; L72-Y74 VanDerWaalsContact C-N 3.31Å; L72-Y74 PolarHBondContact O-N 2.71Å; L72-A75 PolarHBondContact O-N 3.37Å; L72-A76 WeakPolarHBondContact O-CB 3.48Å; L72-A76 PolarHBondContact O-N 3.2Å
73	E	68.8	Low	68.6	Low	111 Å²	111	88 Å²	88	52%	0.519	47%	0.474	S	S	.	.	H	α-helix	trans	-60.4	-41.8	173.1	-74.8	172.3	173.2	0	0	111.2	K69 A76 S77	K69-E73 WeakPolarHBondContact CE-OE1 3.17Å; K69-E73 IonicContact NZ-OE1 2.73Å; K69-E73 WeakPolarHBondContact O-CG 3.16Å; K69-E73 PolarHBondContact O-N 2.87Å; E73-A76 PolarHBondContact O-N 3.07Å; E73-S77 WeakPolarHBondContact O-CB 3.17Å; E73-S77 PolarHBondContact O-N 3.48Å
74	Y	68.4	Low	68.3	Low	159 Å²	159	91.7 Å²	91.7	62%	0.624	49%	0.488	S	S	*	.	H	α-helix	trans	-65.8	-44.4	175.2	-177.6	-107	0	0	0	112.6	K70 L72 A76 S77 V78	K70-Y74 VanDerWaalsContact O-CB 3.31Å; K70-Y74 WeakPolarHBondContact O-CB 3.29Å; K70-Y74 PolarHBondContact O-N 3.47Å; L72-Y74 VanDerWaalsContact C-N 3.31Å; L72-Y74 PolarHBondContact O-N 2.71Å; Y74-A76 VanDerWaalsContact C-N 3.33Å; Y74-A76 PolarHBondContact O-N 3.36Å; Y74-S77 PolarHBondContact O-N 3.39Å; Y74-V78 HydrophobicContact CD1-CG2 4.28Å; Y74-V78 HydrophobicContact CD2-CG2 4.5Å; Y74-V78 HydrophobicContact CE1-CG2 3.89Å; Y74-V78 HydrophobicContact CE2-CG2 4.12Å; Y74-V78 VanDerWaalsContact O-CG2 3.31Å; Y74-V78 WeakPolarHBondContact O-CG2 3.44Å; Y74-V78 PolarHBondContact O-N 2.93Å
75	A	67.8	Low	67	Low	45 Å²	45	94.1 Å²	94.1	37%	0.372	49%	0.494	S	S	.	.	H	α-helix	trans	-63.8	-38.6	176.9	0	0	0	0	0	112.2	N71 L72 V78 L79	N71-A75 VanDerWaalsContact O-CB 3.31Å; N71-A75 WeakPolarHBondContact O-CB 3.32Å; N71-A75 PolarHBondContact O-N 3.42Å; L72-A75 PolarHBondContact O-N 3.37Å; A75-V78 PolarHBondContact O-N 2.87Å; A75-L79 WeakPolarHBondContact O-CB 3.25Å; A75-L79 VanDerWaalsContact O-CG 3.29Å; A75-L79 WeakPolarHBondContact O-CG 3.47Å; A75-L79 PolarHBondContact O-N 3.36Å
76	A	65.1	Low	65.7	Low	43 Å²	43	93.9 Å²	93.9	36%	0.355	49%	0.489	S	S	.	.	H	α-helix	trans	-62.8	-47.7	173.3	0	0	0	0	0	111	L72 E73 Y74 V78 L79 E80	L72-A76 WeakPolarHBondContact O-CB 3.48Å; L72-A76 PolarHBondContact O-N 3.2Å; E73-A76 PolarHBondContact O-N 3.07Å; Y74-A76 VanDerWaalsContact C-N 3.33Å; Y74-A76 PolarHBondContact O-N 3.36Å; A76-V78 VanDerWaalsContact C-N 3.32Å; A76-V78 PolarHBondContact O-N 3.46Å; A76-L79 PolarHBondContact O-N 3.43Å; A76-L79 VanDerWaalsContact O-N 3.16Å; A76-E80 WeakPolarHBondContact O-CB 3.24Å; A76-E80 WeakPolarHBondContact O-CG 3.46Å; A76-E80 PolarHBondContact O-N 3.47Å
77	S	66.1	Low	64.5	Low	65 Å²	65	92.9 Å²	92.9	46%	0.455	48%	0.476	S	S	.	.	H	α-helix	trans	-61	-38.6	176.6	179.3	0	0	0	0	112.8	E73 Y74 S81	E73-S77 WeakPolarHBondContact O-CB 3.17Å; E73-S77 PolarHBondContact O-N 3.48Å; Y74-S77 PolarHBondContact O-N 3.39Å; S77-S81 WeakPolarHBondContact O-CB 3.39Å; S77-S81 PolarHBondContact O-N 3.48Å; S77-S81 PolarHBondContact O-OG 3.24Å
78	V	66	Low	63.1	Low	57 Å²	57	94.9 Å²	94.9	35%	0.345	48%	0.477	S	S	.	.	H	α-helix	trans	-66.5	-43.9	174.5	171.9	0	0	0	0	110.8	Y74 A75 A76 S81 V82	Y74-V78 HydrophobicContact CD1-CG2 4.28Å; Y74-V78 HydrophobicContact CD2-CG2 4.5Å; Y74-V78 HydrophobicContact CE1-CG2 3.89Å; Y74-V78 HydrophobicContact CE2-CG2 4.12Å; Y74-V78 VanDerWaalsContact O-CG2 3.31Å; Y74-V78 WeakPolarHBondContact O-CG2 3.44Å; Y74-V78 PolarHBondContact O-N 2.93Å; A75-V78 PolarHBondContact O-N 2.87Å; A76-V78 VanDerWaalsContact C-N 3.32Å; A76-V78 PolarHBondContact O-N 3.46Å; V78-S81 WeakPolarHBondContact CA-OG 3.41Å; V78-S81 PolarHBondContact O-N 3.05Å; V78-S81 PolarHBondContact O-OG 2.95Å; V78-V82 HydrophobicContact CG1-CG2 4.42Å; V78-V82 VanDerWaalsContact O-CG2 3.31Å; V78-V82 WeakPolarHBondContact O-CG2 3.44Å; V78-V82 PolarHBondContact O-N 3Å
79	L	66.1	Low	62	Low	122 Å²	122	102 Å²	102	64%	0.639	50%	0.501	S	S	*	.	H	α-helix	trans	-65.7	-39.4	177.3	-74	169.2	0	0	0	112.3	A75 A76 V82 Y83	A75-L79 WeakPolarHBondContact O-CB 3.25Å; A75-L79 VanDerWaalsContact O-CG 3.29Å; A75-L79 WeakPolarHBondContact O-CG 3.47Å; A75-L79 PolarHBondContact O-N 3.36Å; A76-L79 PolarHBondContact O-N 3.43Å; A76-L79 VanDerWaalsContact O-N 3.16Å; L79-V82 PolarHBondContact O-N 2.99Å; L79-Y83 VanDerWaalsContact O-CB 3.26Å; L79-Y83 WeakPolarHBondContact O-CB 3.34Å; L79-Y83 PolarHBondContact O-N 2.89Å
80	E	65.6	Low	60.8	Low	124 Å²	124	102.8 Å²	102.8	58%	0.579	51%	0.511	S	S	*	.	H	α-helix	trans	-61	-44.4	171.2	-75.8	172.2	-176.2	0	0	110.8	A76 V82 Y83 I84	A76-E80 WeakPolarHBondContact O-CB 3.24Å; A76-E80 WeakPolarHBondContact O-CG 3.46Å; A76-E80 PolarHBondContact O-N 3.47Å; E80-V82 PolarHBondContact O-N 3.33Å; E80-Y83 PolarHBondContact O-N 2.54Å; E80-I84 WeakPolarHBondContact O-CB 3.22Å; E80-I84 WeakPolarHBondContact O-CD1 2.99Å; E80-I84 WeakPolarHBondContact O-CG1 3.33Å; E80-I84 PolarHBondContact O-N 2.66Å
81	S	60.9	Low	59.4	Low	56 Å²	56	101 Å²	101	39%	0.392	51%	0.511	S	S	.	.	H	α-helix	trans	-64.6	-40.1	177.9	71.1	0	0	0	0	112.9	S77 V78 I84 E85	S77-S81 WeakPolarHBondContact O-CB 3.39Å; S77-S81 PolarHBondContact O-N 3.48Å; S77-S81 PolarHBondContact O-OG 3.24Å; V78-S81 WeakPolarHBondContact CA-OG 3.41Å; V78-S81 PolarHBondContact O-N 3.05Å; V78-S81 PolarHBondContact O-OG 2.95Å; S81-I84 PolarHBondContact O-N 2.72Å; S81-E85 VanDerWaalsContact O-CB 3.3Å; S81-E85 WeakPolarHBondContact O-CB 3.23Å; S81-E85 PolarHBondContact O-N 2.81Å
82	V	63.5	Low	58	Low	68 Å²	68	99.5 Å²	99.5	41%	0.412	50%	0.504	S	S	.	.	H	α-helix	trans	-70.6	-38.4	177.1	172.8	0	0	0	0	110.6	V78 L79 E80 E85 E86	V78-V82 HydrophobicContact CG1-CG2 4.42Å; V78-V82 VanDerWaalsContact O-CG2 3.31Å; V78-V82 WeakPolarHBondContact O-CG2 3.44Å; V78-V82 PolarHBondContact O-N 3Å; L79-V82 PolarHBondContact O-N 2.99Å; E80-V82 PolarHBondContact O-N 3.33Å; V82-E85 PolarHBondContact O-N 2.72Å; V82-E86 VanDerWaalsContact O-CB 3.24Å; V82-E86 WeakPolarHBondContact O-CB 3.35Å; V82-E86 PolarHBondContact O-N 3.38Å
83	Y	64.2	Low	56.5	Low	107 Å²	107	100.8 Å²	100.8	42%	0.42	52%	0.516	S	S	.	.	H	α-helix	trans	-63.2	-44.8	172.6	177.5	-100.5	0	0	0	111	L79 E80 E85 E86 T87 Q365	L79-Y83 VanDerWaalsContact O-CB 3.26Å; L79-Y83 WeakPolarHBondContact O-CB 3.34Å; L79-Y83 PolarHBondContact O-N 2.89Å; E80-Y83 PolarHBondContact O-N 2.54Å; Y83-E85 PolarHBondContact O-N 2.95Å; Y83-E86 PolarHBondContact O-N 3.09Å; Y83-T87 VanDerWaalsContact O-CB 3.23Å; Y83-T87 WeakPolarHBondContact O-CB 3.29Å; Y83-T87 PolarHBondContact O-N 2.85Å; Y83-T87 PolarHBondContact O-OG1 3.45Å; Y83-Q365 PolarHBondContact OH-OE1 3.02Å
84	I	59.3	Low	55.4	Low	107 Å²	107	98.3 Å²	98.3	55%	0.549	50%	0.504	S	S	.	.	H	α-helix	trans	-61.6	-44.1	175.2	-70.3	164.1	0	0	0	110.4	E80 S81 T87 R88	E80-I84 WeakPolarHBondContact O-CB 3.22Å; E80-I84 WeakPolarHBondContact O-CD1 2.99Å; E80-I84 WeakPolarHBondContact O-CG1 3.33Å; E80-I84 PolarHBondContact O-N 2.66Å; S81-I84 PolarHBondContact O-N 2.72Å; I84-T87 PolarHBondContact O-N 3.38Å; I84-R88 WeakPolarHBondContact O-CB 3.41Å; I84-R88 PolarHBondContact O-N 3.01Å
85	E	49	Very low	54.4	Low	105 Å²	105	93.5 Å²	93.5	49%	0.491	49%	0.489	S	S	.	.	H	α-helix	trans	-69.1	-37.1	-179.7	-166	173.2	168.4	0	0	112.5	S81 V82 Y83 R88 R89	S81-E85 VanDerWaalsContact O-CB 3.3Å; S81-E85 WeakPolarHBondContact O-CB 3.23Å; S81-E85 PolarHBondContact O-N 2.81Å; V82-E85 PolarHBondContact O-N 2.72Å; Y83-E85 PolarHBondContact O-N 2.95Å; E85-R88 PolarHBondContact O-N 3.21Å; E85-R89 WeakPolarHBondContact O-CB 3.45Å; E85-R89 WeakPolarHBondContact O-CG 3.45Å; E85-R89 PolarHBondContact O-N 3.1Å; E85-R89 IonicContact OE1-NH2 2.85Å
86	E	44.5	Very low	53.4	Low	127 Å²	127	99.9 Å²	99.9	59%	0.593	51%	0.512	S	S	*	.	H	α-helix	trans	-72.9	-37.3	175.6	-166	129	-158.9	0	0	111.9	V82 Y83 R89 L90	V82-E86 VanDerWaalsContact O-CB 3.24Å; V82-E86 WeakPolarHBondContact O-CB 3.35Å; V82-E86 PolarHBondContact O-N 3.38Å; Y83-E86 PolarHBondContact O-N 3.09Å; E86-R89 PolarHBondContact O-N 3.19Å; E86-L90 WeakPolarHBondContact O-CG 3.37Å; E86-L90 PolarHBondContact O-N 3.42Å; E86-L90 VanDerWaalsContact O-N 3.13Å
87	T	48	Very low	52.6	Low	49 Å²	49	101.1 Å²	101.1	30%	0.301	51%	0.512	S	S	.	.	H	α-helix	trans	-69.3	-35.5	172.6	-48.1	0	0	0	0	110.9	Y83 I84 L90 V91	Y83-T87 VanDerWaalsContact O-CB 3.23Å; Y83-T87 WeakPolarHBondContact O-CB 3.29Å; Y83-T87 PolarHBondContact O-N 2.85Å; Y83-T87 PolarHBondContact O-OG1 3.45Å; I84-T87 PolarHBondContact O-N 3.38Å; T87-L90 PolarHBondContact O-N 3.09Å; T87-V91 WeakPolarHBondContact O-CB 3.3Å; T87-V91 VanDerWaalsContact O-CG2 3.28Å; T87-V91 WeakPolarHBondContact O-CG2 3.49Å; T87-V91 PolarHBondContact O-N 3.38Å
88	R	43.9	Very low	51.8	Low	126 Å²	126	101.7 Å²	101.7	48%	0.475	52%	0.516	S	S	.	.	H	α-helix	trans	-69.3	-39.2	174	-168.2	177.2	176.6	-166.5	-3.5	111.7	I84 E85 L90 V91 D92 D95	I84-R88 WeakPolarHBondContact O-CB 3.41Å; I84-R88 PolarHBondContact O-N 3.01Å; E85-R88 PolarHBondContact O-N 3.21Å; R88-L90 VanDerWaalsContact C-N 3.28Å; R88-L90 PolarHBondContact O-N 3.08Å; R88-V91 PolarHBondContact O-N 3.39Å; R88-V91 VanDerWaalsContact O-N 3.16Å; R88-D92 PolarHBondContact O-N 3.46Å; R88-D95 IonicContact CZ-OD2 3.11Å; R88-D95 IonicContact NE-OD2 3.3Å; R88-D95 IonicContact NH2-OD2 3.27Å; R88-D95 PolarHBondContact NH2-OD2 2.84Å
89	R	47.8	Very low	50.9	Low	192 Å²	192	105.8 Å²	105.8	73%	0.725	54%	0.536	S	S	*	.	H	α-helix	trans	-65.6	-27.5	173.1	-80.9	-177.5	-175.3	-179.2	6.2	113.8	E85 E86	E85-R89 WeakPolarHBondContact O-CB 3.45Å; E85-R89 WeakPolarHBondContact O-CG 3.45Å; E85-R89 PolarHBondContact O-N 3.1Å; E85-R89 IonicContact OE1-NH2 2.85Å; E86-R89 PolarHBondContact O-N 3.19Å
90	L	44.7	Very low	50.1	Low	147 Å²	147	103.9 Å²	103.9	77%	0.77	53%	0.525	S	S	*	.	H	α-helix	trans	-83.5	-14.8	175.1	-73.1	168.5	0	0	0	113	E86 T87 R88	E86-L90 WeakPolarHBondContact O-CG 3.37Å; E86-L90 PolarHBondContact O-N 3.42Å; E86-L90 VanDerWaalsContact O-N 3.13Å; T87-L90 PolarHBondContact O-N 3.09Å; R88-L90 VanDerWaalsContact C-N 3.28Å; R88-L90 PolarHBondContact O-N 3.08Å
91	V	46.5	Very low	49.1	Very low	109 Å²	109	105.8 Å²	105.8	66%	0.661	53%	0.534	S	S	*	.	H	α-helix	trans	-115.8	-14.2	-174.3	174.8	0	0	0	0	113.4	T87 R88	T87-V91 WeakPolarHBondContact O-CB 3.3Å; T87-V91 VanDerWaalsContact O-CG2 3.28Å; T87-V91 WeakPolarHBondContact O-CG2 3.49Å; T87-V91 PolarHBondContact O-N 3.38Å; R88-V91 PolarHBondContact O-N 3.39Å; R88-V91 VanDerWaalsContact O-N 3.16Å
92	D	40.3	Very low	48.8	Very low	68 Å²	68	106.9 Å²	106.9	36%	0.364	54%	0.542	S	S	.	.			trans	-150.7	123.1	-177.5	-120	-25.9	0	0	0	117.9	R88 E94 D95	R88-D92 PolarHBondContact O-N 3.46Å; D92-E94 VanDerWaalsContact OD1-CA 3.23Å; D92-E94 WeakPolarHBondContact OD1-CA 3.45Å; D92-E94 WeakPolarHBondContact OD1-CB 3.18Å; D92-E94 WeakPolarHBondContact OD1-CG 3.28Å; D92-E94 PolarHBondContact OD1-N 2.92Å; D92-D95 HydrophobicContact CB-CB 4.46Å
93	T	39.5	Very low	48.2	Very low	129 Å²	129	112.5 Å²	112.5	79%	0.791	56%	0.563	S	S	*	*	S	Bend	trans	-97.4	9.4	148.3	47.1	0	0	0	0	111.5
94	E	47.1	Very low	48.1	Very low	59 Å²	59	111.6 Å²	111.6	28%	0.276	57%	0.573	S	S	.	*	S	Bend	trans	-110	7.5	-171	-45.6	-174.1	172.6	0	0	115.5	D92 R119	D92-E94 VanDerWaalsContact OD1-CA 3.23Å; D92-E94 WeakPolarHBondContact OD1-CA 3.45Å; D92-E94 WeakPolarHBondContact OD1-CB 3.18Å; D92-E94 WeakPolarHBondContact OD1-CG 3.28Å; D92-E94 PolarHBondContact OD1-N 2.92Å; E94-R119 HydrophobicContact CG-CB 4.5Å
95	D	46	Very low	48.2	Very low	59 Å²	59	108.2 Å²	108.2	32%	0.316	56%	0.557	S	S	.	*			trans	-117.8	40.8	-175.5	-161.1	27.6	0	0	0	114.5	R88 D92 S98	R88-D95 IonicContact CZ-OD2 3.11Å; R88-D95 IonicContact NE-OD2 3.3Å; R88-D95 IonicContact NH2-OD2 3.27Å; R88-D95 PolarHBondContact NH2-OD2 2.84Å; D92-D95 HydrophobicContact CB-CB 4.46Å; D95-S98 VanDerWaalsContact OD1-CB 3.29Å; D95-S98 WeakPolarHBondContact OD1-CB 3.35Å; D95-S98 PolarHBondContact OD1-OG 3.35Å
96	E	47.1	Very low	49.8	Very low	179 Å²	179	106.9 Å²	106.9	84%	0.836	56%	0.558	S	S	*	*	S	Bend	trans	-95.3	-0.1	171.1	-70.6	-165.9	163.3	0	0	113.8
97	L	48	Very low	51	Low	69 Å²	69	103.8 Å²	103.8	36%	0.361	55%	0.55	S	S	.	.	S	Bend	trans	-107.2	-9.5	-179.5	-67.8	-175.9	0	0	0	115.2	D99 I100 T118	L97-D99 PolarHBondContact O-N 3.26Å; L97-I100 HydrophobicContact CD2-CD1 3.54Å; L97-I100 HydrophobicContact CD2-CG1 4.42Å; L97-I100 PolarHBondContact O-N 3.45Å; L97-T118 HydrophobicContact CD1-CG2 3.23Å; L97-T118 HydrophobicContact CG-CG2 4.03Å
98	S	49.3	Very low	52.4	Low	76 Å²	76	108.5 Å²	108.5	53%	0.531	57%	0.569	S	S	.	*	T	Hydrogen-bonded Turn	trans	-68.8	-15.4	178.5	49.7	0	0	0	0	113.4	D95	D95-S98 VanDerWaalsContact OD1-CB 3.29Å; D95-S98 WeakPolarHBondContact OD1-CB 3.35Å; D95-S98 PolarHBondContact OD1-OG 3.35Å
99	D	47.4	Very low	53.8	Low	144 Å²	144	105.3 Å²	105.3	77%	0.77	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.2	-1.5	176.9	-80.6	-24.4	0	0	0	114.5	L97 Q101	L97-D99 PolarHBondContact O-N 3.26Å; D99-Q101 PolarHBondContact O-N 3.07Å
100	I	48.7	Very low	55	Low	82 Å²	82	100.8 Å²	100.8	42%	0.421	55%	0.546	S	S	.	.	S	Bend	trans	-76.3	112.6	173.7	-58.3	-176.7	0	0	0	108.9	L97 S102 V105	L97-I100 HydrophobicContact CD2-CD1 3.54Å; L97-I100 HydrophobicContact CD2-CG1 4.42Å; L97-I100 PolarHBondContact O-N 3.45Å; I100-S102 PolarHBondContact O-N 2.74Å; I100-V105 HydrophobicContact CG2-CG2 4.29Å
101	Q	45.5	Very low	56.2	Low	163 Å²	163	98.9 Å²	98.9	76%	0.762	54%	0.537	S	S	*	.			trans	-47.4	106	176	-70.1	-179.4	-3.3	0	0	111.2	D99 E103 S104	D99-Q101 PolarHBondContact O-N 3.07Å; Q101-E103 PolarHBondContact O-N 3.27Å; Q101-S104 PolarHBondContact O-N 3.02Å; Q101-S104 PolarHBondContact O-OG 3.46Å; Q101-S104 VanDerWaalsContact O-OG 3.09Å
102	S	54	Low	57.6	Low	79 Å²	79	100.3 Å²	100.3	55%	0.552	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-5.6	-168.7	58.7	0	0	0	0	115.5	I100 R110	I100-S102 PolarHBondContact O-N 2.74Å; S102-R110 PolarHBondContact O-NH1 3.46Å
103	E	52	Low	59.2	Low	186 Å²	186	99.5 Å²	99.5	87%	0.869	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-10.3	-178	-67	-83.1	146.4	0	0	112.9	Q101	Q101-E103 PolarHBondContact O-N 3.27Å
104	S	61	Low	60.6	Low	89 Å²	89	94.7 Å²	94.7	62%	0.622	50%	0.499	S	S	*	.	S	Bend	trans	-106.3	-11.9	-170.3	64.9	0	0	0	0	116.1	Q101	Q101-S104 PolarHBondContact O-N 3.02Å; Q101-S104 PolarHBondContact O-OG 3.46Å; Q101-S104 VanDerWaalsContact O-OG 3.09Å
105	V	61.8	Low	61.6	Low	35 Å²	35	95.2 Å²	95.2	21%	0.212	51%	0.509	C	S	.	.	S	Bend	trans	-122.4	125.4	-174.2	-174.2	0	0	0	0	110.3	I100 V109 R110	I100-V105 HydrophobicContact CG2-CG2 4.29Å; V105-V109 HydrophobicContact CG1-CB 3.78Å; V105-V109 HydrophobicContact CG1-CG1 3.68Å; V105-R110 HydrophobicContact CB-CG 3.84Å; V105-R110 HydrophobicContact CG1-CG 3.64Å; V105-R110 PolarHBondContact O-NH1 2.89Å
106	P	81.8	Confident	62.8	Low	77 Å²	77	95.8 Å²	95.8	50%	0.5	52%	0.515	S	S	.	.			trans	-53.4	145.4	175.1	-25.6	34	0	0	0	112.4	E108 V109 R110	P106-E108 VanDerWaalsContact C-N 3.26Å; P106-E108 PolarHBondContact O-N 3.06Å; P106-V109 HydrophobicContact CB-CG2 4.3Å; P106-V109 HydrophobicContact CG-CG2 4.44Å; P106-V109 PolarHBondContact O-N 3.39Å; P106-R110 PolarHBondContact O-N 3.47Å
107	S	71.6	Confident	63.7	Low	62 Å²	62	93.9 Å²	93.9	43%	0.434	50%	0.504	S	S	.	.	H	α-helix	trans	-57.2	-39.1	-177.4	50.5	0	0	0	0	112.6	V109 R110 D111	S107-V109 VanDerWaalsContact C-N 3.29Å; S107-V109 PolarHBondContact O-N 2.74Å; S107-R110 PolarHBondContact O-N 3.15Å; S107-D111 WeakPolarHBondContact O-CB 3.29Å; S107-D111 PolarHBondContact O-N 3.43Å
108	E	75.8	Confident	64.1	Low	149 Å²	149	91.9 Å²	91.9	70%	0.696	50%	0.495	S	S	*	.	H	α-helix	trans	-62.6	-36.6	178.5	-62	138.1	170.7	0	0	112.2	P106 W112	P106-E108 VanDerWaalsContact C-N 3.26Å; P106-E108 PolarHBondContact O-N 3.06Å; E108-W112 VanDerWaalsContact O-CB 3.24Å; E108-W112 WeakPolarHBondContact O-CB 3.27Å; E108-W112 PolarHBondContact O-N 2.92Å
109	V	74.6	Confident	64	Low	59 Å²	59	97.4 Å²	97.4	36%	0.358	50%	0.504	S	S	.	.	H	α-helix	trans	-75.2	-35.6	177.5	178.6	0	0	0	0	110.5	V105 P106 S107 W112 L113	V105-V109 HydrophobicContact CG1-CB 3.78Å; V105-V109 HydrophobicContact CG1-CG1 3.68Å; P106-V109 HydrophobicContact CB-CG2 4.3Å; P106-V109 HydrophobicContact CG-CG2 4.44Å; P106-V109 PolarHBondContact O-N 3.39Å; S107-V109 VanDerWaalsContact C-N 3.29Å; S107-V109 PolarHBondContact O-N 2.74Å; V109-W112 HydrophobicContact CG1-CE3 4.46Å; V109-W112 PolarHBondContact O-N 3.44Å; V109-L113 HydrophobicContact CG1-CD1 3.98Å; V109-L113 HydrophobicContact CG1-CG 4.24Å; V109-L113 VanDerWaalsContact O-CB 3.26Å; V109-L113 WeakPolarHBondContact O-CB 3.36Å; V109-L113 WeakPolarHBondContact O-CG 3.37Å; V109-L113 PolarHBondContact O-N 3.34Å
110	R	73.2	Confident	63.8	Low	96 Å²	96	94.7 Å²	94.7	36%	0.362	49%	0.486	S	S	.	.	H	α-helix	trans	-66.3	-42.8	172.6	-67	-166.4	-58	-121.8	12.3	112.1	S102 V105 P106 S107 W112 L113 A114	S102-R110 PolarHBondContact O-NH1 3.46Å; V105-R110 HydrophobicContact CB-CG 3.84Å; V105-R110 HydrophobicContact CG1-CG 3.64Å; V105-R110 PolarHBondContact O-NH1 2.89Å; P106-R110 PolarHBondContact O-N 3.47Å; S107-R110 PolarHBondContact O-N 3.15Å; R110-W112 VanDerWaalsContact C-N 3.32Å; R110-L113 PolarHBondContact O-N 2.96Å; R110-A114 VanDerWaalsContact O-CB 3.24Å; R110-A114 WeakPolarHBondContact O-CB 3.48Å; R110-A114 PolarHBondContact O-N 3.2Å
111	D	68.4	Low	63.4	Low	108 Å²	108	98.2 Å²	98.2	58%	0.578	50%	0.503	S	S	*	.	H	α-helix	trans	-65.8	-39.4	177.6	-65	-17.5	0	0	0	110.4	S107 S115	S107-D111 WeakPolarHBondContact O-CB 3.29Å; S107-D111 PolarHBondContact O-N 3.43Å; D111-S115 VanDerWaalsContact O-CB 3.3Å; D111-S115 WeakPolarHBondContact O-CB 3.49Å; D111-S115 PolarHBondContact O-N 3.17Å; D111-S115 PolarHBondContact O-OG 3.2Å
112	W	77.5	Confident	63.2	Low	139 Å²	139	91.9 Å²	91.9	53%	0.527	48%	0.481	S	S	.	.	H	α-helix	trans	-64.9	-45.9	171.7	174.8	70.4	0	0	0	112.5	E108 V109 R110 S115 T116 F117	E108-W112 VanDerWaalsContact O-CB 3.24Å; E108-W112 WeakPolarHBondContact O-CB 3.27Å; E108-W112 PolarHBondContact O-N 2.92Å; V109-W112 HydrophobicContact CG1-CE3 4.46Å; V109-W112 PolarHBondContact O-N 3.44Å; R110-W112 VanDerWaalsContact C-N 3.32Å; W112-S115 WeakPolarHBondContact CA-OG 3.4Å; W112-S115 PolarHBondContact O-N 2.81Å; W112-S115 PolarHBondContact O-OG 2.79Å; W112-T116 HydrophobicContact CZ2-CG2 4.42Å; W112-T116 PolarHBondContact NE1-OG1 3.34Å; W112-T116 WeakPolarHBondContact O-CB 3.41Å; W112-T116 PolarHBondContact O-N 2.88Å; W112-T116 PolarHBondContact O-OG1 3.37Å; W112-F117 AromaticContact CH2-CE2 3.77Å; W112-F117 HydrophobicContact CH2-CE2 3.77Å; W112-F117 HydrophobicContact CH2-CZ 4.4Å; W112-F117 HydrophobicContact CZ2-CE2 4.14Å; W112-F117 HydrophobicContact CZ3-CE2 4.16Å
113	L	73.7	Confident	62.5	Low	50 Å²	50	93.6 Å²	93.6	26%	0.262	48%	0.484	S	S	.	.	H	α-helix	trans	-64.6	-42.4	178.7	-76.4	171.8	0	0	0	111.6	V109 R110 T116 F117	V109-L113 HydrophobicContact CG1-CD1 3.98Å; V109-L113 HydrophobicContact CG1-CG 4.24Å; V109-L113 VanDerWaalsContact O-CB 3.26Å; V109-L113 WeakPolarHBondContact O-CB 3.36Å; V109-L113 WeakPolarHBondContact O-CG 3.37Å; V109-L113 PolarHBondContact O-N 3.34Å; R110-L113 PolarHBondContact O-N 2.96Å; L113-T116 PolarHBondContact O-N 3.27Å; L113-F117 HydrophobicContact CD2-CD2 3.63Å; L113-F117 HydrophobicContact CD2-CE2 3.78Å; L113-F117 WeakPolarHBondContact O-CB 3.43Å; L113-F117 PolarHBondContact O-N 3.26Å
114	A	67.1	Low	62.1	Low	29 Å²	29	91.1 Å²	91.1	24%	0.24	47%	0.474	C	S	.	.	H	α-helix	trans	-61.5	-51.6	173.8	0	0	0	0	0	110.3	R110 T116 T118	R110-A114 VanDerWaalsContact O-CB 3.24Å; R110-A114 WeakPolarHBondContact O-CB 3.48Å; R110-A114 PolarHBondContact O-N 3.2Å; A114-T116 VanDerWaalsContact C-N 3.25Å; A114-T116 PolarHBondContact O-N 3.13Å; A114-T118 PolarHBondContact O-N 3.45Å; A114-T118 PolarHBondContact O-OG1 3.29Å
115	S	68.1	Low	60.8	Low	69 Å²	69	94.8 Å²	94.8	48%	0.483	49%	0.485	S	S	.	.	H	α-helix	trans	-65.9	-23.4	179.9	57.1	0	0	0	0	114.9	D111 W112	D111-S115 VanDerWaalsContact O-CB 3.3Å; D111-S115 WeakPolarHBondContact O-CB 3.49Å; D111-S115 PolarHBondContact O-N 3.17Å; D111-S115 PolarHBondContact O-OG 3.2Å; W112-S115 WeakPolarHBondContact CA-OG 3.4Å; W112-S115 PolarHBondContact O-N 2.81Å; W112-S115 PolarHBondContact O-OG 2.79Å
116	T	71.7	Confident	59.7	Low	71 Å²	71	101.7 Å²	101.7	44%	0.436	51%	0.508	S	S	.	.	H	α-helix	trans	-99	-38.7	-175.4	-54.7	0	0	0	0	113.3	W112 L113 A114	W112-T116 HydrophobicContact CZ2-CG2 4.42Å; W112-T116 PolarHBondContact NE1-OG1 3.34Å; W112-T116 WeakPolarHBondContact O-CB 3.41Å; W112-T116 PolarHBondContact O-N 2.88Å; W112-T116 PolarHBondContact O-OG1 3.37Å; L113-T116 PolarHBondContact O-N 3.27Å; A114-T116 VanDerWaalsContact C-N 3.25Å; A114-T116 PolarHBondContact O-N 3.13Å
117	F	67.4	Low	57.5	Low	140 Å²	140	107.7 Å²	107.7	61%	0.614	52%	0.52	S	S	*	.	H	α-helix	trans	-117.6	-12	-168.2	-63.9	-81.6	0	0	0	114.6	W112 L113	W112-F117 AromaticContact CH2-CE2 3.77Å; W112-F117 HydrophobicContact CH2-CE2 3.77Å; W112-F117 HydrophobicContact CH2-CZ 4.4Å; W112-F117 HydrophobicContact CZ2-CE2 4.14Å; W112-F117 HydrophobicContact CZ3-CE2 4.16Å; L113-F117 HydrophobicContact CD2-CD2 3.63Å; L113-F117 HydrophobicContact CD2-CE2 3.78Å; L113-F117 WeakPolarHBondContact O-CB 3.43Å; L113-F117 PolarHBondContact O-N 3.26Å
118	T	55.8	Low	55.7	Low	26 Å²	26	111.4 Å²	111.4	16%	0.16	54%	0.535	C	S	.	.	S	Bend	trans	-88.2	146.5	160.1	70.8	0	0	0	0	108.5	L97 A114 Q120	L97-T118 HydrophobicContact CD1-CG2 3.23Å; L97-T118 HydrophobicContact CG-CG2 4.03Å; A114-T118 PolarHBondContact O-N 3.45Å; A114-T118 PolarHBondContact O-OG1 3.29Å; T118-Q120 PolarHBondContact O-N 2.8Å
119	R	47.6	Very low	53.9	Low	192 Å²	192	111.4 Å²	111.4	73%	0.725	54%	0.535	S	S	*	.			trans	-66.9	75.3	162.3	-85.3	-179.4	146.9	-135.4	-4.5	106.9	E94 M121	E94-R119 HydrophobicContact CG-CB 4.5Å; R119-M121 PolarHBondContact O-N 2.94Å
120	Q	42.2	Very low	51.8	Low	87 Å²	87	113.4 Å²	113.4	41%	0.407	54%	0.541	S	S	.	.			trans	-74.8	74.9	172.6	-152.1	174.5	10.4	0	0	106.8	T118 G122 L123	T118-Q120 PolarHBondContact O-N 2.8Å; Q120-G122 PolarHBondContact O-N 3.22Å; Q120-L123 HydrophobicContact CG-CB 4.33Å; Q120-L123 HydrophobicContact CG-CD1 4.48Å; Q120-L123 HydrophobicContact CG-CG 4.46Å
121	M	40.8	Very low	50.1	Low	157 Å²	157	117.6 Å²	117.6	77%	0.773	56%	0.562	S	S	*	*	S	Bend	trans	-65.9	81.2	155.1	-95.7	-156.1	83.8	0	0	105.2	R119 L123	R119-M121 PolarHBondContact O-N 2.94Å; M121-L123 PolarHBondContact O-N 3.06Å; M121-L123 VanDerWaalsContact O-N 3.16Å
122	G	41.8	Very low	48.7	Very low	29 Å²	29	116.9 Å²	116.9	30%	0.299	56%	0.563	S	S	.	*			trans	14.9	85.1	-174.1	0	0	0	0	0	112.4	Q120 M124	Q120-G122 PolarHBondContact O-N 3.22Å; G122-M124 PolarHBondContact O-N 3.35Å
123	L	39.3	Very low	46.7	Very low	116 Å²	116	117.9 Å²	117.9	61%	0.607	57%	0.567	S	S	*	*			trans	-47.1	96.2	160.1	-84.8	168.3	0	0	0	105.4	Q120 M121 L125	Q120-L123 HydrophobicContact CG-CB 4.33Å; Q120-L123 HydrophobicContact CG-CD1 4.48Å; Q120-L123 HydrophobicContact CG-CG 4.46Å; M121-L123 PolarHBondContact O-N 3.06Å; M121-L123 VanDerWaalsContact O-N 3.16Å; L123-L125 VanDerWaalsContact C-N 3.29Å; L123-L125 PolarHBondContact O-N 3.44Å
124	M	42	Very low	45	Very low	133 Å²	133	120.4 Å²	120.4	66%	0.655	58%	0.576	S	S	*	*			trans	-47.9	113.4	156.1	-63.6	170.4	77.2	0	0	100.2	G122 R126	G122-M124 PolarHBondContact O-N 3.35Å; M124-R126 PolarHBondContact O-N 3.31Å
125	L	34.7	Very low	43.5	Very low	166 Å²	166	129 Å²	129	87%	0.869	60%	0.602	S	S	*	*			trans	-46.6	103.9	149.9	-152.2	97.3	0	0	0	101.5	L123 R127	L123-L125 VanDerWaalsContact C-N 3.29Å; L123-L125 PolarHBondContact O-N 3.44Å; L125-R127 PolarHBondContact O-N 3.48Å
126	R	38.2	Very low	42.3	Very low	180 Å²	180	129.7 Å²	129.7	68%	0.679	61%	0.606	S	S	*	*			trans	-49.8	107.3	-178	-86.5	-166.2	90.3	168.9	6.9	101.6	M124 N128 E129	M124-R126 PolarHBondContact O-N 3.31Å; R126-N128 PolarHBondContact O-N 3.46Å; R126-E129 IonicContact CZ-OE1 2.72Å; R126-E129 VanDerWaalsContact NH2-CD 3.27Å; R126-E129 IonicContact NH2-OE1 2.86Å; R126-E129 PolarHBondContact NH2-OE1 3.21Å; R126-E129 IonicContact NH2-OE2 3.18Å
127	R	36.9	Very low	41	Very low	203 Å²	203	128.5 Å²	128.5	77%	0.766	60%	0.597	S	S	*	*			trans	-65.7	96.9	178.8	-177.4	-179.6	177.6	158.7	1	99.7	L125 E129	L125-R127 PolarHBondContact O-N 3.48Å; R127-E129 WeakPolarHBondContact O-CA 3.47Å; R127-E129 PolarHBondContact O-N 3.02Å
128	N	32.1	Very low	39.8	Very low	140 Å²	140	126 Å²	126	75%	0.749	59%	0.593	S	S	*	*			trans	-29.1	110.4	-167	-102.8	-37.2	0	0	0	105.7	R126 E130	R126-N128 PolarHBondContact O-N 3.46Å; N128-E130 VanDerWaalsContact O-CA 3.22Å; N128-E130 WeakPolarHBondContact O-CA 3.28Å; N128-E130 WeakPolarHBondContact O-CG 3.35Å; N128-E130 PolarHBondContact O-N 3.14Å
129	E	38.3	Very low	39.1	Very low	149 Å²	149	130.4 Å²	130.4	70%	0.696	61%	0.612	S	S	*	*			trans	-42.2	93.2	-170	-76.2	-174.4	161.1	0	0	107.5	R126 R127 K131	R126-E129 IonicContact CZ-OE1 2.72Å; R126-E129 VanDerWaalsContact NH2-CD 3.27Å; R126-E129 IonicContact NH2-OE1 2.86Å; R126-E129 PolarHBondContact NH2-OE1 3.21Å; R126-E129 IonicContact NH2-OE2 3.18Å; R127-E129 WeakPolarHBondContact O-CA 3.47Å; R127-E129 PolarHBondContact O-N 3.02Å; E129-K131 PolarHBondContact O-N 3.45Å
130	E	31.9	Very low	38.8	Very low	102 Å²	102	123.9 Å²	123.9	48%	0.477	60%	0.598	S	S	.	*			trans	-80	96.7	-169.8	-91.6	-157.1	124.9	0	0	99.1	N128 P132 R133	N128-E130 VanDerWaalsContact O-CA 3.22Å; N128-E130 WeakPolarHBondContact O-CA 3.28Å; N128-E130 WeakPolarHBondContact O-CG 3.35Å; N128-E130 PolarHBondContact O-N 3.14Å; E130-P132 WeakPolarHBondContact O-CA 3.3Å; E130-R133 IonicContact OE1-CZ 3.39Å; E130-R133 IonicContact OE1-NE 3.33Å; E130-R133 PolarHBondContact OE1-NE 2.96Å; E130-R133 IonicContact OE1-NH2 2.72Å; E130-R133 PolarHBondContact OE1-NH2 2.83Å
131	K	35.7	Very low	38.7	Very low	183 Å²	183	124.2 Å²	124.2	80%	0.796	61%	0.606	S	S	*	*			trans	-25.3	113.5	171.7	-79	-174.9	174.8	-173	0	106.2	E129 R133	E129-K131 PolarHBondContact O-N 3.45Å; K131-R133 VanDerWaalsContact C-N 3.28Å; K131-R133 VanDerWaalsContact O-CA 3.29Å; K131-R133 WeakPolarHBondContact O-CA 3.47Å; K131-R133 PolarHBondContact O-N 3.28Å
132	P	39.4	Very low	38.8	Very low	93 Å²	93	121.8 Å²	121.8	60%	0.604	59%	0.593	S	S	*	*			trans	-47.4	101.3	-163.7	12	-27	0	0	0	107.1	E130 F134	E130-P132 WeakPolarHBondContact O-CA 3.3Å; P132-F134 PolarHBondContact O-N 2.88Å
133	R	35.5	Very low	38.9	Very low	160 Å²	160	123.4 Å²	123.4	60%	0.604	60%	0.604	S	S	*	*			trans	-66.1	122.1	-168.4	-72.5	-165.2	-165.3	-162.5	7.7	102.2	E130 K131 R135 S136	E130-R133 IonicContact OE1-CZ 3.39Å; E130-R133 IonicContact OE1-NE 3.33Å; E130-R133 PolarHBondContact OE1-NE 2.96Å; E130-R133 IonicContact OE1-NH2 2.72Å; E130-R133 PolarHBondContact OE1-NH2 2.83Å; K131-R133 VanDerWaalsContact C-N 3.28Å; K131-R133 VanDerWaalsContact O-CA 3.29Å; K131-R133 WeakPolarHBondContact O-CA 3.47Å; K131-R133 PolarHBondContact O-N 3.28Å; R133-R135 PolarHBondContact O-N 2.62Å; R133-S136 PolarHBondContact O-N 3.32Å
134	F	38.7	Very low	39	Very low	104 Å²	104	120.2 Å²	120.2	46%	0.456	60%	0.599	S	S	.	*	T	Hydrogen-bonded Turn	trans	-45.3	-9.2	179.9	-111.3	-96.6	0	0	0	115.1	P132 I137	P132-F134 PolarHBondContact O-N 2.88Å; F134-I137 HydrophobicContact CD1-CD1 4.21Å; F134-I137 HydrophobicContact CD2-CD1 4.31Å; F134-I137 HydrophobicContact CE1-CD1 4.49Å; F134-I137 HydrophobicContact CG-CD1 4.13Å
135	R	36.1	Very low	39.1	Very low	210 Å²	210	120 Å²	120	79%	0.792	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.2	-28.3	171	-69.1	-172.9	164.2	161.8	-2.7	115.3	R133 I137	R133-R135 PolarHBondContact O-N 2.62Å; R135-I137 VanDerWaalsContact C-N 3.27Å
136	S	41.7	Very low	39.1	Very low	82 Å²	82	117.5 Å²	117.5	57%	0.573	58%	0.581	S	S	*	*	S	Bend	trans	-72.7	-24.3	173.6	-165.3	0	0	0	0	112.1	R133 V138	R133-S136 PolarHBondContact O-N 3.32Å; S136-V138 VanDerWaalsContact C-N 3.34Å
137	I	45.8	Very low	39.4	Very low	47 Å²	47	113 Å²	113	24%	0.241	57%	0.574	C	S	.	*	H	α-helix	trans	-73.9	-26.4	-177.1	-56.2	178.6	0	0	0	111.3	F134 R135 H139 A140 V141	F134-I137 HydrophobicContact CD1-CD1 4.21Å; F134-I137 HydrophobicContact CD2-CD1 4.31Å; F134-I137 HydrophobicContact CE1-CD1 4.49Å; F134-I137 HydrophobicContact CG-CD1 4.13Å; R135-I137 VanDerWaalsContact C-N 3.27Å; I137-H139 VanDerWaalsContact C-N 3.25Å; I137-H139 PolarHBondContact O-N 3.11Å; I137-A140 PolarHBondContact O-N 3.07Å; I137-V141 HydrophobicContact CG2-CG2 4.03Å; I137-V141 WeakPolarHBondContact O-CB 3.38Å; I137-V141 WeakPolarHBondContact O-CG2 3.41Å; I137-V141 PolarHBondContact O-N 2.91Å
138	V	40.4	Very low	39.4	Very low	86 Å²	86	111.5 Å²	111.5	52%	0.521	58%	0.576	S	S	.	*	H	α-helix	trans	-64.8	-28.2	-177.9	178.8	0	0	0	0	112.4	S136 Q142	S136-V138 VanDerWaalsContact C-N 3.34Å; V138-Q142 PolarHBondContact O-N 3.45Å
139	H	42.1	Very low	39.5	Very low	120 Å²	120	111.6 Å²	111.6	56%	0.556	57%	0.566	S	S	*	*	H	α-helix	trans	-83.8	-35.4	177	-70.8	-63.5	0	0	0	112.9	I137 V141 Q142	I137-H139 VanDerWaalsContact C-N 3.25Å; I137-H139 PolarHBondContact O-N 3.11Å; H139-V141 VanDerWaalsContact C-N 3.28Å; H139-V141 PolarHBondContact O-N 3.03Å; H139-Q142 PolarHBondContact ND1-OE1 3.01Å; H139-Q142 WeakPolarHBondContact O-CB 3.21Å; H139-Q142 PolarHBondContact O-N 3.03Å; H139-Q142 VanDerWaalsContact O-N 3.08Å
140	A	40.6	Very low	39.4	Very low	54 Å²	54	109 Å²	109	45%	0.446	55%	0.554	S	S	.	*	H	α-helix	trans	-65.3	-32.8	170.1	0	0	0	0	0	112.1	I137 Q142 A143	I137-A140 PolarHBondContact O-N 3.07Å; A140-Q142 VanDerWaalsContact C-N 3.26Å; A140-Q142 PolarHBondContact O-N 2.75Å; A140-A143 WeakPolarHBondContact O-CB 3.38Å; A140-A143 PolarHBondContact O-N 3.35Å; A140-A143 VanDerWaalsContact O-N 3.13Å
141	V	40.8	Very low	39.9	Very low	94 Å²	94	111.4 Å²	111.4	57%	0.57	56%	0.56	S	S	*	*	H	α-helix	trans	-67.8	-24.4	173	172.1	0	0	0	0	112.2	I137 H139 A143	I137-V141 HydrophobicContact CG2-CG2 4.03Å; I137-V141 WeakPolarHBondContact O-CB 3.38Å; I137-V141 WeakPolarHBondContact O-CG2 3.41Å; I137-V141 PolarHBondContact O-N 2.91Å; H139-V141 VanDerWaalsContact C-N 3.28Å; H139-V141 PolarHBondContact O-N 3.03Å; V141-A143 VanDerWaalsContact C-N 3.27Å; V141-A143 PolarHBondContact O-N 3.04Å
142	Q	41.8	Very low	40	Very low	106 Å²	106	113.3 Å²	113.3	50%	0.495	56%	0.562	S	S	.	*	H	α-helix	trans	-75.1	-12.6	172.2	-76.8	176.6	-42.4	0	0	113.6	V138 H139 A140 G144 I145	V138-Q142 PolarHBondContact O-N 3.45Å; H139-Q142 PolarHBondContact ND1-OE1 3.01Å; H139-Q142 WeakPolarHBondContact O-CB 3.21Å; H139-Q142 PolarHBondContact O-N 3.03Å; H139-Q142 VanDerWaalsContact O-N 3.08Å; A140-Q142 VanDerWaalsContact C-N 3.26Å; A140-Q142 PolarHBondContact O-N 2.75Å; Q142-G144 PolarHBondContact O-N 2.86Å; Q142-G144 VanDerWaalsContact O-N 3.12Å; Q142-I145 PolarHBondContact O-N 3.46Å
143	A	44	Very low	39.8	Very low	63 Å²	63	116.9 Å²	116.9	52%	0.521	56%	0.564	S	S	.	*	T	Hydrogen-bonded Turn	trans	-63.3	-15.8	173.9	0	0	0	0	0	112.9	A140 V141	A140-A143 WeakPolarHBondContact O-CB 3.38Å; A140-A143 PolarHBondContact O-N 3.35Å; A140-A143 VanDerWaalsContact O-N 3.13Å; V141-A143 VanDerWaalsContact C-N 3.27Å; V141-A143 PolarHBondContact O-N 3.04Å
144	G	41.7	Very low	39.8	Very low	50 Å²	50	115.5 Å²	115.5	52%	0.515	57%	0.573	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87.2	-5.1	170.4	0	0	0	0	0	116.1	Q142	Q142-G144 PolarHBondContact O-N 2.86Å; Q142-G144 VanDerWaalsContact O-N 3.12Å
145	I	44.2	Very low	39.7	Very low	129 Å²	129	115.1 Å²	115.1	66%	0.662	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.8	-11.7	-170.4	-63.3	178.7	0	0	0	113.8	Q142	Q142-I145 PolarHBondContact O-N 3.46Å
146	F	36.3	Very low	39.8	Very low	112 Å²	112	112.4 Å²	112.4	49%	0.491	59%	0.585	S	S	.	*	S	Bend	trans	-94.8	-0.3	178.5	-142.5	-100.4	0	0	0	115.3	E148 R149 M150	F146-E148 PolarHBondContact O-N 2.93Å; F146-R149 HydrophobicContact CD2-CB 4.08Å; F146-R149 HydrophobicContact CE1-CB 4.28Å; F146-R149 HydrophobicContact CE2-CB 3.84Å; F146-R149 HydrophobicContact CE2-CG 4.22Å; F146-R149 HydrophobicContact CG-CB 4.42Å; F146-R149 HydrophobicContact CZ-CB 3.94Å; F146-R149 HydrophobicContact CZ-CG 4.25Å; F146-R149 PolarHBondContact O-N 2.8Å; F146-M150 HydrophobicContact CD1-CB 3.75Å; F146-M150 HydrophobicContact CD1-CG 4.12Å; F146-M150 HydrophobicContact CE1-CB 3.87Å; F146-M150 HydrophobicContact CE1-CG 3.98Å; F146-M150 PolarHBondContact O-N 2.95Å; F146-M150 VanDerWaalsContact O-N 3.15Å
147	V	42.9	Very low	39.7	Very low	87 Å²	87	117.5 Å²	117.5	53%	0.527	60%	0.602	S	S	.	*	H	α-helix	trans	-65.6	-22.4	177.9	-178.5	0	0	0	0	112	Y151	V147-Y151 VanDerWaalsContact O-CD2 3.26Å; V147-Y151 WeakPolarHBondContact O-CD2 3.29Å
148	E	38.2	Very low	39.9	Very low	171 Å²	171	121.6 Å²	121.6	80%	0.799	63%	0.629	S	S	*	*	H	α-helix	trans	-97	-20.1	177.6	-146.4	179.5	-177.5	0	0	114	F146	F146-E148 PolarHBondContact O-N 2.93Å
149	R	34.3	Very low	41	Very low	142 Å²	142	119.7 Å²	119.7	54%	0.536	63%	0.626	S	S	.	*	H	α-helix	trans	-93.6	-26.3	-177.8	-149.4	176.1	-175.8	105.5	-3.2	113.1	F146	F146-R149 HydrophobicContact CD2-CB 4.08Å; F146-R149 HydrophobicContact CE1-CB 4.28Å; F146-R149 HydrophobicContact CE2-CB 3.84Å; F146-R149 HydrophobicContact CE2-CG 4.22Å; F146-R149 HydrophobicContact CG-CB 4.42Å; F146-R149 HydrophobicContact CZ-CB 3.94Å; F146-R149 HydrophobicContact CZ-CG 4.25Å; F146-R149 PolarHBondContact O-N 2.8Å
150	M	35.6	Very low	42.6	Very low	93 Å²	93	115.6 Å²	115.6	46%	0.458	61%	0.608	S	S	.	*	H	α-helix	trans	-75.7	-38.7	174.8	-140.8	178.5	87.5	0	0	112.4	F146 R152 R153 T201	F146-M150 HydrophobicContact CD1-CB 3.75Å; F146-M150 HydrophobicContact CD1-CG 4.12Å; F146-M150 HydrophobicContact CE1-CB 3.87Å; F146-M150 HydrophobicContact CE1-CG 3.98Å; F146-M150 PolarHBondContact O-N 2.95Å; F146-M150 VanDerWaalsContact O-N 3.15Å; M150-R152 PolarHBondContact O-N 2.64Å; M150-R152 VanDerWaalsContact O-N 3.09Å; M150-R153 PolarHBondContact O-N 3.3Å; M150-T201 HydrophobicContact CE-CG2 4.1Å; M150-T201 HydrophobicContact SD-CG2 3.93Å
151	Y	42.8	Very low	44.7	Very low	153 Å²	153	118.1 Å²	118.1	60%	0.6	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65	-12.1	175	-88	-88.8	0	0	0	113.7	V147	V147-Y151 VanDerWaalsContact O-CD2 3.26Å; V147-Y151 WeakPolarHBondContact O-CD2 3.29Å
152	R	37	Very low	46.9	Very low	223 Å²	223	115.8 Å²	115.8	84%	0.842	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.7	0.5	178	-90.9	-170.8	-179.8	-147.8	2.8	115.9	M150	M150-R152 PolarHBondContact O-N 2.64Å; M150-R152 VanDerWaalsContact O-N 3.09Å
153	R	35.8	Very low	49.2	Very low	169 Å²	169	113.4 Å²	113.4	64%	0.638	60%	0.597	S	S	*	*			trans	-120	37	177.5	-81.1	-171.2	-172	173	-2.1	113.9	M150 S155	M150-R153 PolarHBondContact O-N 3.3Å; R153-S155 PolarHBondContact O-N 3.08Å
154	T	35.1	Very low	51.5	Low	131 Å²	131	114.4 Å²	114.4	80%	0.804	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77	59	165.8	-43.1	0	0	0	0	111.6
155	S	37.3	Very low	54	Low	96 Å²	96	114.9 Å²	114.9	67%	0.671	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-144.8	-4.6	168.3	58	0	0	0	0	118	R153	R153-S155 PolarHBondContact O-N 3.08Å
156	N	37.9	Very low	56.3	Low	153 Å²	153	108.7 Å²	108.7	82%	0.818	57%	0.57	S	S	*	*	S	Bend	trans	-166.4	83.5	171.9	-86.5	-39.3	0	0	0	112
157	M	38.3	Very low	59	Low	189 Å²	189	106.3 Å²	106.3	93%	0.931	56%	0.561	S	S	*	*	S	Bend	trans	-167.1	139.4	146.7	-69.4	-156.5	72.6	0	0	108.3	G159	M157-G159 PolarHBondContact O-N 3.21Å; M157-G159 VanDerWaalsContact O-N 3.09Å
158	V	50.8	Low	61.4	Low	133 Å²	133	105.4 Å²	105.4	81%	0.806	56%	0.559	S	S	*	*			trans	-56.9	101.7	-176	-179.4	0	0	0	0	111.4	I213	V158-I213 WeakPolarHBondContact O-CD1 3.5Å
159	G	64.3	Low	64.1	Low	45 Å²	45	98.4 Å²	98.4	46%	0.464	53%	0.528	S	S	.	.			trans	-146.5	167.6	-179.2	0	0	0	0	0	112.3	M157 S161	M157-G159 PolarHBondContact O-N 3.21Å; M157-G159 VanDerWaalsContact O-N 3.09Å; G159-S161 PolarHBondContact O-N 2.76Å
160	L	75.3	Confident	66.9	Low	34 Å²	34	92.3 Å²	92.3	18%	0.178	51%	0.506	C	S	.	.	P	Polyproline II helix	trans	-60.8	127.5	177.2	-165.2	80.4	0	0	0	110.1	Y162 K193 F194 Y197 V217	L160-Y162 HydrophobicContact CB-CE2 4.23Å; L160-Y162 HydrophobicContact CD2-CE2 4.3Å; L160-Y162 VanDerWaalsContact O-CD2 3.23Å; L160-Y162 WeakPolarHBondContact O-CD2 3.32Å; L160-Y162 WeakPolarHBondContact O-CE2 3.44Å; L160-K193 HydrophobicContact CD1-CD 4.35Å; L160-K193 HydrophobicContact CD2-CG 4.46Å; L160-F194 HydrophobicContact CD2-CD1 3.53Å; L160-F194 HydrophobicContact CD2-CE1 3.41Å; L160-F194 VanDerWaalsContact CD2-CE1 3.41Å; L160-F194 HydrophobicContact CD2-CG 4.38Å; L160-F194 HydrophobicContact CD2-CZ 4.15Å; L160-F194 HydrophobicContact CG-CE1 4.17Å; L160-Y197 HydrophobicContact CB-CD1 3.99Å; L160-Y197 HydrophobicContact CB-CD2 4.48Å; L160-Y197 HydrophobicContact CB-CE1 3.77Å; L160-Y197 HydrophobicContact CB-CE2 4.28Å; L160-Y197 HydrophobicContact CB-CG 4.35Å; L160-Y197 HydrophobicContact CD2-CD1 4.09Å; L160-Y197 HydrophobicContact CD2-CG 4.22Å; L160-V217 HydrophobicContact CD1-CG2 4.1Å
161	S	83.5	Confident	69.5	Low	107 Å²	107	94.7 Å²	94.7	75%	0.748	51%	0.514	S	S	*	.	P	Polyproline II helix	trans	-84	122.7	174.2	177.2	0	0	0	0	109.8	G159	G159-S161 PolarHBondContact O-N 2.76Å
162	Y	87.7	Confident	71.9	Confident	46 Å²	46	90.2 Å²	90.2	18%	0.18	50%	0.5	C	S	.	.	P	Polyproline II helix	trans	-94.2	124.9	-178.9	-69.5	-114.9	0	0	0	111.1	L160 V166 L170 F194 Y197 E198	L160-Y162 HydrophobicContact CB-CE2 4.23Å; L160-Y162 HydrophobicContact CD2-CE2 4.3Å; L160-Y162 VanDerWaalsContact O-CD2 3.23Å; L160-Y162 WeakPolarHBondContact O-CD2 3.32Å; L160-Y162 WeakPolarHBondContact O-CE2 3.44Å; Y162-V166 HydrophobicContact CD1-CG1 3.91Å; Y162-L170 HydrophobicContact CD1-CD1 3.71Å; Y162-L170 HydrophobicContact CE1-CD1 3.46Å; Y162-L170 VanDerWaalsContact CE1-CD1 3.46Å; Y162-F194 AromaticContact CD1-CD1 3.58Å; Y162-F194 HydrophobicContact CD1-CD1 3.58Å; Y162-F194 AromaticContact CD1-CE1 3.81Å; Y162-F194 HydrophobicContact CD1-CE1 3.81Å; Y162-F194 AromaticContact CE1-CD1 3.69Å; Y162-F194 HydrophobicContact CE1-CD1 3.69Å; Y162-F194 HydrophobicContact CE1-CE1 4.29Å; Y162-F194 HydrophobicContact CG-CD1 4.26Å; Y162-F194 HydrophobicContact CG-CE1 4.05Å; Y162-Y197 HydrophobicContact CE2-CD1 4.16Å; Y162-Y197 HydrophobicContact CE2-CE1 4.02Å; Y162-Y197 AromaticContact CZ-CD1 3.93Å; Y162-Y197 WeakPolarHBondContact OH-CD1 3.43Å; Y162-E198 PolarHBondContact OH-OE2 2.69Å
163	P	90.9	Very high	74.6	Confident	55 Å²	55	79.9 Å²	79.9	36%	0.357	46%	0.461	S	S	.	.	P	Polyproline II helix	trans	-58.7	147.3	167.6	-21.7	32	0	0	0	111.5	S165 V166 I167	P163-S165 PolarHBondContact O-N 2.85Å; P163-V166 HydrophobicContact CB-CB 4.39Å; P163-V166 HydrophobicContact CB-CG2 4Å; P163-V166 HydrophobicContact CG-CG2 3.88Å; P163-V166 WeakPolarHBondContact O-CB 3.41Å; P163-V166 PolarHBondContact O-N 3.16Å; P163-I167 WeakPolarHBondContact O-CG1 3.28Å; P163-I167 PolarHBondContact O-N 3.17Å
164	A	91.3	Very high	77.3	Confident	85 Å²	85	74 Å²	74	70%	0.702	44%	0.443	S	S	*	.	H	α-helix	trans	-59.6	-33.7	-179.6	0	0	0	0	0	113	I167 S168	A164-I167 PolarHBondContact O-N 3.45Å; A164-S168 PolarHBondContact O-N 3.09Å
165	S	94.4	Very high	80.2	Confident	59 Å²	59	73.5 Å²	73.5	41%	0.413	43%	0.429	S	S	.	.	H	α-helix	trans	-59.3	-49.8	172.4	48.7	0	0	0	0	111.5	P163 I167 S168 V169 A186	P163-S165 PolarHBondContact O-N 2.85Å; S165-I167 PolarHBondContact O-N 2.88Å; S165-S168 WeakPolarHBondContact O-CB 3.34Å; S165-S168 PolarHBondContact O-N 3.3Å; S165-S168 VanDerWaalsContact O-N 3.14Å; S165-V169 PolarHBondContact O-N 3.39Å; S165-A186 PolarHBondContact OG-O 2.98Å; S165-A186 VanDerWaalsContact OG-O 3.05Å
166	V	93.8	Very high	83	Confident	0 Å²	0	69.2 Å²	69.2	0%	0	40%	0.399	C	S	.	.	H	α-helix	trans	-59.6	-46.9	177.5	176.4	0	0	0	0	111	Y162 P163 S168 V169 L170 L183 A186 F194	Y162-V166 HydrophobicContact CD1-CG1 3.91Å; P163-V166 HydrophobicContact CB-CB 4.39Å; P163-V166 HydrophobicContact CB-CG2 4Å; P163-V166 HydrophobicContact CG-CG2 3.88Å; P163-V166 WeakPolarHBondContact O-CB 3.41Å; P163-V166 PolarHBondContact O-N 3.16Å; V166-S168 PolarHBondContact O-N 2.7Å; V166-V169 PolarHBondContact O-N 3.5Å; V166-V169 VanDerWaalsContact O-N 3.14Å; V166-L170 HydrophobicContact CG1-CD1 3.68Å; V166-L170 HydrophobicContact CG1-CG 4.11Å; V166-L170 WeakPolarHBondContact O-CG 3.3Å; V166-L170 PolarHBondContact O-N 2.89Å; V166-L183 HydrophobicContact CG1-CD1 3.85Å; V166-A186 HydrophobicContact CG2-CB 4.2Å; V166-A186 VanDerWaalsContact CG2-O 3.28Å; V166-A186 WeakPolarHBondContact CG2-O 3.16Å; V166-F194 HydrophobicContact CG1-CB 4.27Å; V166-F194 HydrophobicContact CG1-CD1 3.68Å; V166-F194 HydrophobicContact CG1-CD2 4.38Å; V166-F194 HydrophobicContact CG1-CE1 4.05Å; V166-F194 HydrophobicContact CG1-CG 3.85Å; V166-F194 HydrophobicContact CG2-CE2 4.4Å; V166-F194 HydrophobicContact CG2-CZ 4.43Å
167	I	91.4	Very high	85.7	Confident	61 Å²	61	63.9 Å²	63.9	31%	0.313	37%	0.373	S	S	.	.	H	α-helix	trans	-57.1	-41.5	177	-62.8	171.7	0	0	0	110.7	P163 A164 S165 V169 L170 K171	P163-I167 WeakPolarHBondContact O-CG1 3.28Å; P163-I167 PolarHBondContact O-N 3.17Å; A164-I167 PolarHBondContact O-N 3.45Å; S165-I167 PolarHBondContact O-N 2.88Å; I167-V169 VanDerWaalsContact C-N 3.33Å; I167-V169 PolarHBondContact O-N 3.26Å; I167-L170 PolarHBondContact O-N 3.15Å; I167-K171 WeakPolarHBondContact O-CG 3.43Å; I167-K171 PolarHBondContact O-N 3.24Å
168	S	92.9	Very high	88.5	Confident	68 Å²	68	55 Å²	55	48%	0.476	33%	0.329	S	S	.	.	H	α-helix	trans	-62.2	-40.5	179.6	-169.5	0	0	0	0	112.4	A164 S165 V166	A164-S168 PolarHBondContact O-N 3.09Å; S165-S168 WeakPolarHBondContact O-CB 3.34Å; S165-S168 PolarHBondContact O-N 3.3Å; S165-S168 VanDerWaalsContact O-N 3.14Å; V166-S168 PolarHBondContact O-N 2.7Å
169	V	95	Very high	90.8	Very high	24 Å²	24	52 Å²	52	15%	0.145	31%	0.309	C	S	.	.	H	α-helix	trans	-71	-48.8	178	-178	0	0	0	0	110.4	S165 V166 I167 K171 N172 F178 A182 L183 A186	S165-V169 PolarHBondContact O-N 3.39Å; V166-V169 PolarHBondContact O-N 3.5Å; V166-V169 VanDerWaalsContact O-N 3.14Å; I167-V169 VanDerWaalsContact C-N 3.33Å; I167-V169 PolarHBondContact O-N 3.26Å; V169-K171 PolarHBondContact O-N 3.43Å; V169-K171 VanDerWaalsContact O-N 3.08Å; V169-N172 WeakPolarHBondContact O-CB 3.25Å; V169-N172 PolarHBondContact O-N 3.39Å; V169-F178 HydrophobicContact CG1-CE2 3.73Å; V169-F178 HydrophobicContact CG1-CZ 3.77Å; V169-F178 WeakPolarHBondContact O-CE2 3.34Å; V169-A182 HydrophobicContact CG1-CB 4.47Å; V169-A182 HydrophobicContact CG2-CB 4.38Å; V169-L183 HydrophobicContact CB-CD1 4.4Å; V169-L183 HydrophobicContact CG1-CB 3.88Å; V169-L183 HydrophobicContact CG1-CD1 4.35Å; V169-A186 HydrophobicContact CG2-CB 4.12Å
170	L	92.9	Very high	92.4	Very high	15 Å²	15	49.9 Å²	49.9	8%	0.079	29%	0.287	C	S	.	.	H	α-helix	trans	-61	-20	-177.4	-72.2	178	0	0	0	114.6	Y162 V166 I167 N172 V173 F178 L183 I195	Y162-L170 HydrophobicContact CD1-CD1 3.71Å; Y162-L170 HydrophobicContact CE1-CD1 3.46Å; Y162-L170 VanDerWaalsContact CE1-CD1 3.46Å; V166-L170 HydrophobicContact CG1-CD1 3.68Å; V166-L170 HydrophobicContact CG1-CG 4.11Å; V166-L170 WeakPolarHBondContact O-CG 3.3Å; V166-L170 PolarHBondContact O-N 2.89Å; I167-L170 PolarHBondContact O-N 3.15Å; L170-N172 PolarHBondContact O-N 3.32Å; L170-V173 VanDerWaalsContact O-CB 3.27Å; L170-V173 WeakPolarHBondContact O-CB 3.29Å; L170-V173 VanDerWaalsContact O-CG1 3.25Å; L170-V173 WeakPolarHBondContact O-CG1 3.12Å; L170-V173 PolarHBondContact O-N 3.32Å; L170-F178 HydrophobicContact CD2-CZ 4.24Å; L170-L183 HydrophobicContact CD2-CD1 3.96Å; L170-L183 HydrophobicContact CD2-CD2 4.2Å; L170-L183 HydrophobicContact CG-CD1 4.04Å; L170-I195 HydrophobicContact CD2-CD1 3.88Å
171	K	91.3	Very high	93.5	Very high	143 Å²	143	48.8 Å²	48.8	62%	0.622	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-22.8	168.3	-75.4	172.4	-176.3	177.9	0	113.6	I167 V169	I167-K171 WeakPolarHBondContact O-CG 3.43Å; I167-K171 PolarHBondContact O-N 3.24Å; V169-K171 PolarHBondContact O-N 3.43Å; V169-K171 VanDerWaalsContact O-N 3.08Å
172	N	93.4	Very high	94.2	Very high	59 Å²	59	45.1 Å²	45.1	32%	0.316	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	7.6	-180	-61.4	-63.3	0	0	0	113.4	V169 L170 D174 K175 F178	V169-N172 WeakPolarHBondContact O-CB 3.25Å; V169-N172 PolarHBondContact O-N 3.39Å; L170-N172 PolarHBondContact O-N 3.32Å; N172-D174 PolarHBondContact O-N 3.27Å; N172-K175 HydrophobicContact CB-CD 4.03Å; N172-K175 HydrophobicContact CB-CG 4.44Å; N172-K175 VanDerWaalsContact O-CB 3.31Å; N172-K175 WeakPolarHBondContact O-CB 3.2Å; N172-K175 PolarHBondContact O-N 3.24Å; N172-K175 VanDerWaalsContact OD1-CE 3.28Å; N172-K175 WeakPolarHBondContact OD1-CE 3.4Å; N172-K175 PolarHBondContact OD1-NZ 3.21Å; N172-F178 HydrophobicContact CB-CD2 4.12Å; N172-F178 WeakPolarHBondContact O-CD2 3.39Å
173	V	94.1	Very high	94.8	Very high	5 Å²	5	43 Å²	43	3%	0.03	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-19.8	-174.8	73.3	0	0	0	0	113.7	L170 K175 F178 I195 R202 Q245	L170-V173 VanDerWaalsContact O-CB 3.27Å; L170-V173 WeakPolarHBondContact O-CB 3.29Å; L170-V173 VanDerWaalsContact O-CG1 3.25Å; L170-V173 WeakPolarHBondContact O-CG1 3.12Å; L170-V173 PolarHBondContact O-N 3.32Å; V173-K175 VanDerWaalsContact C-N 3.33Å; V173-F178 HydrophobicContact CB-CE2 4.34Å; V173-I195 HydrophobicContact CG2-CD1 4Å; V173-R202 VanDerWaalsContact CG1-NH1 3.3Å; V173-Q245 HydrophobicContact CG2-CG 3.97Å; V173-Q245 PolarHBondContact O-NE2 3.33Å
174	D	92.8	Very high	95.1	Very high	46 Å²	46	41 Å²	41	25%	0.246	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	1.9	175.2	-70.5	-21.1	0	0	0	114.9	N172 R202 H248 Y249 L252 K253	N172-D174 PolarHBondContact O-N 3.27Å; D174-R202 IonicContact OD1-CZ 2.8Å; D174-R202 IonicContact OD1-NH1 3.27Å; D174-R202 PolarHBondContact OD1-NH1 3.37Å; D174-R202 IonicContact OD1-NH2 3.65Å; D174-R202 PolarHBondContact OD1-NH2 3.45Å; D174-R202 IonicContact OD2-CZ 3.39Å; D174-R202 IonicContact OD2-NH1 2.92Å; D174-R202 IonicContact OD2-NH2 2.7Å; D174-R202 PolarHBondContact OD2-NH2 2.86Å; D174-H248 IonicContact OD1-CE1 3.92Å; D174-H248 IonicContact OD1-NE2 2.69Å; D174-H248 PolarHBondContact OD1-NE2 3.27Å; D174-H248 VanDerWaalsContact OD1-NE2 3.09Å; D174-Y249 WeakPolarHBondContact O-CD2 3.42Å; D174-Y249 WeakPolarHBondContact O-CE2 3.41Å; D174-L252 HydrophobicContact CB-CD2 4.4Å; D174-L252 VanDerWaalsContact OD1-CD2 3.31Å; D174-L252 WeakPolarHBondContact OD1-CD2 3.38Å; D174-K253 WeakPolarHBondContact O-CE 3.28Å
175	K	94.7	Very high	95.4	Very high	120 Å²	120	44.6 Å²	44.6	52%	0.522	24%	0.237	S	C	.	.	S	Bend	trans	-96.7	149	-177.8	-63	-174.5	178.6	169.4	0	110.6	N172 V173 F178 Q245 Y249	N172-K175 HydrophobicContact CB-CD 4.03Å; N172-K175 HydrophobicContact CB-CG 4.44Å; N172-K175 VanDerWaalsContact O-CB 3.31Å; N172-K175 WeakPolarHBondContact O-CB 3.2Å; N172-K175 PolarHBondContact O-N 3.24Å; N172-K175 VanDerWaalsContact OD1-CE 3.28Å; N172-K175 WeakPolarHBondContact OD1-CE 3.4Å; N172-K175 PolarHBondContact OD1-NZ 3.21Å; V173-K175 VanDerWaalsContact C-N 3.33Å; K175-F178 PolarHBondContact O-N 3.05Å; K175-Q245 PolarHBondContact O-NE2 3.44Å; K175-Y249 VanDerWaalsContact C-CD2 3.42Å
176	W	96.6	Very high	95.6	Very high	7 Å²	7	43 Å²	43	3%	0.027	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-49	-177.3	-179.3	-119.5	0	0	0	112.7	F178 T246 Y249 L250 A388 F446 F513 L516 W517	W176-F178 PolarHBondContact O-N 2.83Å; W176-T246 HydrophobicContact CH2-CG2 4.02Å; W176-T246 HydrophobicContact CZ3-CG2 3.77Å; W176-Y249 HydrophobicContact CB-CD2 4.32Å; W176-Y249 HydrophobicContact CB-CE1 4.12Å; W176-Y249 HydrophobicContact CB-CE2 3.74Å; W176-Y249 HydrophobicContact CD2-CD1 4.27Å; W176-Y249 HydrophobicContact CD2-CE1 4.02Å; W176-Y249 AromaticContact CE3-CD1 3.19Å; W176-Y249 HydrophobicContact CE3-CD1 3.19Å; W176-Y249 HydrophobicContact CE3-CD2 4.47Å; W176-Y249 AromaticContact CE3-CE1 3.32Å; W176-Y249 HydrophobicContact CE3-CE1 3.32Å; W176-Y249 AromaticContact CE3-CG 3.8Å; W176-Y249 HydrophobicContact CE3-CG 3.8Å; W176-Y249 HydrophobicContact CG-CE1 4.39Å; W176-Y249 AromaticContact CZ3-CD1 3.65Å; W176-Y249 HydrophobicContact CZ3-CD1 3.65Å; W176-Y249 HydrophobicContact CZ3-CE1 4.01Å; W176-Y249 HydrophobicContact CZ3-CG 4.43Å; W176-L250 HydrophobicContact CH2-CD2 4.18Å; W176-L250 HydrophobicContact CZ3-CD2 3.83Å; W176-L250 HydrophobicContact CZ3-CG 4.2Å; W176-A388 HydrophobicContact CZ2-CB 4.02Å; W176-A388 PolarHBondContact NE1-O 3.37Å; W176-F446 AromaticContact CH2-CE1 3.69Å; W176-F446 HydrophobicContact CH2-CE1 3.69Å; W176-F446 AromaticContact CH2-CZ 3.96Å; W176-F446 HydrophobicContact CH2-CZ 3.96Å; W176-F446 AromaticContact CZ2-CE1 3.64Å; W176-F446 HydrophobicContact CZ2-CE1 3.64Å; W176-F446 AromaticContact CZ2-CZ 3.9Å; W176-F446 HydrophobicContact CZ2-CZ 3.9Å; W176-F513 HydrophobicContact CH2-CE2 4.09Å; W176-F513 HydrophobicContact CZ3-CE2 4.06Å; W176-L516 HydrophobicContact CB-CD2 3.44Å; W176-L516 VanDerWaalsContact CB-CD2 3.44Å; W176-L516 VanDerWaalsContact CD1-CD2 3.44Å; W176-L516 HydrophobicContact CD2-CD2 4.19Å; W176-L516 HydrophobicContact CG-CD2 3.39Å; W176-W517 HydrophobicContact CZ2-CB 4.5Å
177	S	94.4	Very high	95.7	Very high	40 Å²	40	43.6 Å²	43.6	28%	0.28	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	50.9	175	-54.8	0	0	0	0	110	D179 S390	S177-D179 PolarHBondContact O-N 3.44Å; S177-S390 PolarHBondContact OG-N 3.27Å
178	F	97.9	Very high	95.9	Very high	2 Å²	2	43 Å²	43	1%	0.009	24%	0.24	C	C	.	.			trans	-61.8	130.1	170.2	172.5	-101.6	0	0	0	109.4	V169 L170 N172 V173 K175 W176 V180 L183 I195 Q245	V169-F178 HydrophobicContact CG1-CE2 3.73Å; V169-F178 HydrophobicContact CG1-CZ 3.77Å; V169-F178 WeakPolarHBondContact O-CE2 3.34Å; L170-F178 HydrophobicContact CD2-CZ 4.24Å; N172-F178 HydrophobicContact CB-CD2 4.12Å; N172-F178 WeakPolarHBondContact O-CD2 3.39Å; V173-F178 HydrophobicContact CB-CE2 4.34Å; K175-F178 PolarHBondContact O-N 3.05Å; W176-F178 PolarHBondContact O-N 2.83Å; F178-V180 HydrophobicContact CD1-CB 4.39Å; F178-V180 HydrophobicContact CE1-CB 4.44Å; F178-V180 PolarHBondContact O-N 3.16Å; F178-L183 HydrophobicContact CE1-CB 4.16Å; F178-L183 HydrophobicContact CE1-CD2 3.98Å; F178-L183 HydrophobicContact CZ-CB 3.99Å; F178-L183 HydrophobicContact CZ-CD2 3.92Å; F178-L183 HydrophobicContact CZ-CG 4.38Å; F178-I195 HydrophobicContact CE1-CD1 3.85Å; F178-I195 HydrophobicContact CZ-CD1 4.06Å; F178-Q245 HydrophobicContact CB-CG 4.26Å; F178-Q245 HydrophobicContact CD1-CB 4.45Å; F178-Q245 HydrophobicContact CD1-CG 3.75Å; F178-Q245 HydrophobicContact CE1-CG 4.35Å; F178-Q245 HydrophobicContact CG-CG 4.09Å
179	D	98.3	Very high	96.1	Very high	72 Å²	72	44.8 Å²	44.8	39%	0.385	24%	0.244	S	C	.	.			trans	-83	87.9	-178	-168.2	-16.9	0	0	0	110.7	S177 F181 A182 L183	S177-D179 PolarHBondContact O-N 3.44Å; D179-F181 PolarHBondContact O-N 2.81Å; D179-F181 WeakPolarHBondContact OD1-CB 3.37Å; D179-F181 PolarHBondContact OD1-N 2.85Å; D179-F181 VanDerWaalsContact OD1-N 3.09Å; D179-A182 HydrophobicContact CB-CB 3.88Å; D179-A182 VanDerWaalsContact CG-CB 3.42Å; D179-A182 PolarHBondContact O-N 3.42Å; D179-A182 PolarHBondContact OD1-N 3.5Å; D179-L183 PolarHBondContact O-N 3.36Å; D179-L183 VanDerWaalsContact O-N 3.11Å
180	V	98.6	Very high	96.3	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-63	-28.5	176.7	68.7	0	0	0	0	112.5	F178 L183 N184 A191 I238 A241 D242 W397	F178-V180 HydrophobicContact CD1-CB 4.39Å; F178-V180 HydrophobicContact CE1-CB 4.44Å; F178-V180 PolarHBondContact O-N 3.16Å; V180-L183 WeakPolarHBondContact O-CB 3.1Å; V180-L183 PolarHBondContact O-N 2.96Å; V180-N184 PolarHBondContact O-N 3.49Å; V180-A191 HydrophobicContact CG2-CB 4.48Å; V180-I238 HydrophobicContact CB-CG2 4.46Å; V180-I238 HydrophobicContact CG1-CG2 3.89Å; V180-I238 HydrophobicContact CG2-CG2 3.91Å; V180-A241 HydrophobicContact CG2-CB 3.77Å; V180-D242 HydrophobicContact CB-CB 4.3Å; V180-D242 HydrophobicContact CG1-CB 4Å; V180-D242 HydrophobicContact CG2-CB 4.22Å; V180-W397 HydrophobicContact CG1-CZ2 3.94Å
181	F	98.6	Very high	96.5	Very high	11 Å²	11	46 Å²	46	5%	0.048	25%	0.248	C	C	.	.	H	α-helix	trans	-73.9	-40.6	177.9	-62.6	-76.1	0	0	0	111.4	D179 L183 N184 E185 I238 L393 R396 W397	D179-F181 PolarHBondContact O-N 2.81Å; D179-F181 WeakPolarHBondContact OD1-CB 3.37Å; D179-F181 PolarHBondContact OD1-N 2.85Å; D179-F181 VanDerWaalsContact OD1-N 3.09Å; F181-L183 PolarHBondContact O-N 3.07Å; F181-N184 WeakPolarHBondContact O-CB 3.23Å; F181-N184 PolarHBondContact O-N 3.37Å; F181-E185 PolarHBondContact O-N 2.99Å; F181-I238 HydrophobicContact CD1-CD1 4.27Å; F181-I238 HydrophobicContact CD1-CG2 3.8Å; F181-I238 HydrophobicContact CE1-CD1 4.49Å; F181-I238 HydrophobicContact CE1-CG2 3.87Å; F181-I238 HydrophobicContact CG-CG2 4.5Å; F181-L393 HydrophobicContact CD2-CD2 3.7Å; F181-L393 HydrophobicContact CE2-CD2 4.01Å; F181-R396 VanDerWaalsContact CD1-NE 3.28Å; F181-R396 HydrophobicContact CD2-CG 4.47Å; F181-R396 HydrophobicContact CE1-CG 4.16Å; F181-R396 HydrophobicContact CE2-CB 4.16Å; F181-R396 HydrophobicContact CE2-CG 3.89Å; F181-R396 HydrophobicContact CZ-CB 4.33Å; F181-R396 HydrophobicContact CZ-CG 3.7Å; F181-W397 AromaticContact CE1-CH2 3.99Å; F181-W397 HydrophobicContact CE1-CH2 3.99Å; F181-W397 HydrophobicContact CE1-CZ2 4.07Å; F181-W397 HydrophobicContact CE1-CZ3 4.32Å; F181-W397 HydrophobicContact CE2-CD2 4.23Å; F181-W397 AromaticContact CE2-CE2 3.77Å; F181-W397 HydrophobicContact CE2-CG 4.49Å; F181-W397 HydrophobicContact CE2-CZ2 4.05Å; F181-W397 AromaticContact CE2-NE1 3.86Å; F181-W397 AromaticContact CZ-CD2 3.67Å; F181-W397 HydrophobicContact CZ-CD2 3.67Å; F181-W397 AromaticContact CZ-CE2 3.45Å; F181-W397 VanDerWaalsContact CZ-CE2 3.45Å; F181-W397 AromaticContact CZ-CE3 3.97Å; F181-W397 HydrophobicContact CZ-CE3 3.97Å; F181-W397 HydrophobicContact CZ-CG 4.28Å; F181-W397 AromaticContact CZ-CH2 3.79Å; F181-W397 HydrophobicContact CZ-CH2 3.79Å; F181-W397 AromaticContact CZ-CZ2 3.53Å; F181-W397 HydrophobicContact CZ-CZ2 3.53Å; F181-W397 HydrophobicContact CZ-CZ3 4.03Å
182	A	98.4	Very high	96.9	Very high	30 Å²	30	39.2 Å²	39.2	25%	0.248	22%	0.218	C	C	.	.	H	α-helix	trans	-61.8	-35.9	171.6	0	0	0	0	0	111.4	V169 D179 A186	V169-A182 HydrophobicContact CG1-CB 4.47Å; V169-A182 HydrophobicContact CG2-CB 4.38Å; D179-A182 HydrophobicContact CB-CB 3.88Å; D179-A182 VanDerWaalsContact CG-CB 3.42Å; D179-A182 PolarHBondContact O-N 3.42Å; D179-A182 PolarHBondContact OD1-N 3.5Å; A182-A186 WeakPolarHBondContact O-CB 3.21Å; A182-A186 PolarHBondContact O-N 3.05Å
183	L	98.4	Very high	97	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-64.3	-46	172.5	-179.7	67.3	0	0	0	111.2	V166 V169 L170 F178 D179 V180 F181 E185 A186 S187 A191 I195	V166-L183 HydrophobicContact CG1-CD1 3.85Å; V169-L183 HydrophobicContact CB-CD1 4.4Å; V169-L183 HydrophobicContact CG1-CB 3.88Å; V169-L183 HydrophobicContact CG1-CD1 4.35Å; L170-L183 HydrophobicContact CD2-CD1 3.96Å; L170-L183 HydrophobicContact CD2-CD2 4.2Å; L170-L183 HydrophobicContact CG-CD1 4.04Å; F178-L183 HydrophobicContact CE1-CB 4.16Å; F178-L183 HydrophobicContact CE1-CD2 3.98Å; F178-L183 HydrophobicContact CZ-CB 3.99Å; F178-L183 HydrophobicContact CZ-CD2 3.92Å; F178-L183 HydrophobicContact CZ-CG 4.38Å; D179-L183 PolarHBondContact O-N 3.36Å; D179-L183 VanDerWaalsContact O-N 3.11Å; V180-L183 WeakPolarHBondContact O-CB 3.1Å; V180-L183 PolarHBondContact O-N 2.96Å; F181-L183 PolarHBondContact O-N 3.07Å; L183-E185 VanDerWaalsContact C-N 3.34Å; L183-E185 PolarHBondContact O-N 2.84Å; L183-A186 PolarHBondContact O-N 3.48Å; L183-S187 VanDerWaalsContact O-CB 3.25Å; L183-S187 WeakPolarHBondContact O-CB 3.42Å; L183-S187 PolarHBondContact O-N 2.85Å; L183-S187 PolarHBondContact O-OG 3.33Å; L183-A191 HydrophobicContact CD2-CB 4.18Å; L183-A191 HydrophobicContact CG-CB 4.29Å; L183-I195 HydrophobicContact CD2-CD1 3.56Å; L183-I195 HydrophobicContact CD2-CG1 3.4Å
184	N	98.4	Very high	97.2	Very high	13 Å²	13	37.4 Å²	37.4	7%	0.07	21%	0.207	C	C	.	.	H	α-helix	trans	-58	-47.4	178.9	-170	70.5	0	0	0	111.6	V180 F181 S187 G188 D189 A191 L237 I238	V180-N184 PolarHBondContact O-N 3.49Å; F181-N184 WeakPolarHBondContact O-CB 3.23Å; F181-N184 PolarHBondContact O-N 3.37Å; N184-S187 WeakPolarHBondContact CA-OG 3.45Å; N184-S187 PolarHBondContact O-N 3.21Å; N184-S187 PolarHBondContact O-OG 3.05Å; N184-G188 PolarHBondContact O-N 3.47Å; N184-D189 PolarHBondContact ND2-OD1 3.13Å; N184-D189 PolarHBondContact O-N 2.98Å; N184-D189 WeakPolarHBondContact OD1-CA 3.15Å; N184-A191 HydrophobicContact CB-CB 3.83Å; N184-L237 WeakPolarHBondContact OD1-CD1 3.49Å; N184-I238 HydrophobicContact CB-CD1 4.11Å; N184-I238 HydrophobicContact CB-CG1 4.14Å
185	E	98.1	Very high	97.4	Very high	162 Å²	162	35.2 Å²	35.2	76%	0.757	20%	0.196	S	C	*	.	H	α-helix	trans	-62.9	-47.2	175.8	-174.8	178.5	178.6	0	0	111.9	F181 L183 S187 G188	F181-E185 PolarHBondContact O-N 2.99Å; L183-E185 VanDerWaalsContact C-N 3.34Å; L183-E185 PolarHBondContact O-N 2.84Å; E185-S187 PolarHBondContact O-N 3.33Å; E185-G188 PolarHBondContact O-N 3.11Å
186	A	97.4	Very high	97.6	Very high	24 Å²	24	29.5 Å²	29.5	20%	0.198	17%	0.171	C	C	.	.	H	α-helix	trans	-63.9	-27.1	-178.8	0	0	0	0	0	113.7	S165 V166 V169 A182 L183	S165-A186 PolarHBondContact OG-O 2.98Å; S165-A186 VanDerWaalsContact OG-O 3.05Å; V166-A186 HydrophobicContact CG2-CB 4.2Å; V166-A186 VanDerWaalsContact CG2-O 3.28Å; V166-A186 WeakPolarHBondContact CG2-O 3.16Å; V169-A186 HydrophobicContact CG2-CB 4.12Å; A182-A186 WeakPolarHBondContact O-CB 3.21Å; A182-A186 PolarHBondContact O-N 3.05Å; L183-A186 PolarHBondContact O-N 3.48Å
187	S	96.3	Very high	97.5	Very high	13 Å²	13	30.2 Å²	30.2	9%	0.091	17%	0.174	C	C	.	.	H	α-helix	trans	-93.6	-6.9	-177.8	58.3	0	0	0	0	114.3	L183 N184 E185 H190 A191 F194	L183-S187 VanDerWaalsContact O-CB 3.25Å; L183-S187 WeakPolarHBondContact O-CB 3.42Å; L183-S187 PolarHBondContact O-N 2.85Å; L183-S187 PolarHBondContact O-OG 3.33Å; N184-S187 WeakPolarHBondContact CA-OG 3.45Å; N184-S187 PolarHBondContact O-N 3.21Å; N184-S187 PolarHBondContact O-OG 3.05Å; E185-S187 PolarHBondContact O-N 3.33Å; S187-H190 PolarHBondContact OG-N 3.46Å; S187-A191 PolarHBondContact OG-N 3.08Å; S187-F194 VanDerWaalsContact CB-CE2 3.5Å
188	G	96.6	Very high	97.5	Very high	48 Å²	48	30 Å²	30	50%	0.495	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.8	50.2	-174.4	0	0	0	0	0	112.3	N184 E185 H190	N184-G188 PolarHBondContact O-N 3.47Å; E185-G188 PolarHBondContact O-N 3.11Å; G188-H190 PolarHBondContact O-CD2 3.14Å
189	D	96.9	Very high	97.3	Very high	106 Å²	106	30 Å²	30	57%	0.567	17%	0.168	S	C	*	.	S	Bend	trans	68.5	35.4	179.9	-58.3	-43.2	0	0	0	115	N184	N184-D189 PolarHBondContact ND2-OD1 3.13Å; N184-D189 PolarHBondContact O-N 2.98Å; N184-D189 WeakPolarHBondContact OD1-CA 3.15Å
190	H	97.5	Very high	97.1	Very high	65 Å²	65	26.5 Å²	26.5	30%	0.301	15%	0.15	S	C	.	.			trans	-127.4	35.7	-176.9	-72.1	-63.8	0	0	0	113.1	S187 G188 L192 K193 F194 E224	S187-H190 PolarHBondContact OG-N 3.46Å; G188-H190 PolarHBondContact O-CD2 3.14Å; H190-L192 VanDerWaalsContact C-N 3.3Å; H190-L192 PolarHBondContact O-N 3.12Å; H190-K193 HydrophobicContact CB-CB 4.3Å; H190-K193 PolarHBondContact ND1-NZ 2.9Å; H190-K193 PolarHBondContact O-N 3.42Å; H190-F194 HydrophobicContact CB-CD2 4.14Å; H190-F194 HydrophobicContact CB-CE2 4.12Å; H190-F194 VanDerWaalsContact O-CD2 3.28Å; H190-F194 WeakPolarHBondContact O-CD2 3.25Å; H190-F194 PolarHBondContact O-N 2.74Å; H190-E224 VanDerWaalsContact CA-OE1 3.26Å; H190-E224 WeakPolarHBondContact CA-OE1 3.25Å; H190-E224 IonicContact CE1-OE2 3.56Å; H190-E224 IonicContact CG-OE2 3.86Å; H190-E224 IonicContact ND1-OE2 2.62Å; H190-E224 PolarHBondContact ND1-OE2 2.84Å
191	A	98.3	Very high	96.7	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-57.3	-41.8	-175.4	0	0	0	0	0	113	V180 L183 N184 S187 F194 I195 L237 A241	V180-A191 HydrophobicContact CG2-CB 4.48Å; L183-A191 HydrophobicContact CD2-CB 4.18Å; L183-A191 HydrophobicContact CG-CB 4.29Å; N184-A191 HydrophobicContact CB-CB 3.83Å; S187-A191 PolarHBondContact OG-N 3.08Å; A191-F194 PolarHBondContact O-N 3.46Å; A191-I195 WeakPolarHBondContact O-CG1 3.21Å; A191-I195 PolarHBondContact O-N 3.36Å; A191-L237 HydrophobicContact CB-CD1 4.1Å; A191-A241 HydrophobicContact CB-CB 3.9Å
192	L	98.6	Very high	96.1	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-68	-42.8	-176.8	-178.4	59.7	0	0	0	111	H190 F194 I195 F196 V220 L223 E224 Y227 L237 A240 A241 A273	H190-L192 VanDerWaalsContact C-N 3.3Å; H190-L192 PolarHBondContact O-N 3.12Å; L192-F194 VanDerWaalsContact C-N 3.34Å; L192-F194 PolarHBondContact O-N 3.02Å; L192-I195 PolarHBondContact O-N 3.42Å; L192-F196 WeakPolarHBondContact O-CB 3.29Å; L192-F196 PolarHBondContact O-N 3.24Å; L192-V220 HydrophobicContact CG-CG2 4.19Å; L192-L223 HydrophobicContact CD2-CD2 3.8Å; L192-L223 HydrophobicContact CD2-CG 4.22Å; L192-E224 HydrophobicContact CB-CG 3.95Å; L192-E224 WeakPolarHBondContact CB-OE1 3.27Å; L192-E224 HydrophobicContact CD2-CG 4.27Å; L192-E224 PolarHBondContact N-OE1 2.84Å; L192-E224 VanDerWaalsContact N-OE1 3.16Å; L192-Y227 HydrophobicContact CD2-CD2 3.91Å; L192-Y227 HydrophobicContact CD2-CE2 3.86Å; L192-L237 HydrophobicContact CB-CB 4.32Å; L192-L237 HydrophobicContact CB-CD1 4.45Å; L192-A240 HydrophobicContact CD1-CB 4.09Å; L192-A240 HydrophobicContact CD2-CB 4Å; L192-A241 HydrophobicContact CB-CB 4.23Å; L192-A241 HydrophobicContact CD1-CB 4.38Å; L192-A273 HydrophobicContact CD1-CB 4.17Å
193	K	96.9	Very high	95.5	Very high	16 Å²	16	31.6 Å²	31.6	7%	0.07	17%	0.166	C	C	.	.	H	α-helix	trans	-53	-50.8	174	174.8	163.2	75.6	-162.8	0	112.1	L160 H190 Y197 V220 E221 E224	L160-K193 HydrophobicContact CD1-CD 4.35Å; L160-K193 HydrophobicContact CD2-CG 4.46Å; H190-K193 HydrophobicContact CB-CB 4.3Å; H190-K193 PolarHBondContact ND1-NZ 2.9Å; H190-K193 PolarHBondContact O-N 3.42Å; K193-Y197 VanDerWaalsContact O-CB 3.25Å; K193-Y197 WeakPolarHBondContact O-CB 3.4Å; K193-Y197 PolarHBondContact O-N 3.4Å; K193-V220 HydrophobicContact CB-CG1 3.77Å; K193-V220 HydrophobicContact CB-CG2 4.27Å; K193-V220 HydrophobicContact CD-CG1 4.06Å; K193-V220 HydrophobicContact CG-CG1 3.59Å; K193-E221 HydrophobicContact CD-CG 3.83Å; K193-E221 IonicContact NZ-OE1 3.8Å; K193-E221 PolarHBondContact NZ-OE1 2.99Å; K193-E224 PolarHBondContact N-OE1 3.43Å
194	F	96.9	Very high	95	Very high	10 Å²	10	36 Å²	36	4%	0.044	19%	0.19	C	C	.	.	H	α-helix	trans	-71.9	-41.2	-176.9	-77	-77.1	0	0	0	112.8	L160 Y162 V166 S187 H190 A191 L192 E198	L160-F194 HydrophobicContact CD2-CD1 3.53Å; L160-F194 HydrophobicContact CD2-CE1 3.41Å; L160-F194 VanDerWaalsContact CD2-CE1 3.41Å; L160-F194 HydrophobicContact CD2-CG 4.38Å; L160-F194 HydrophobicContact CD2-CZ 4.15Å; L160-F194 HydrophobicContact CG-CE1 4.17Å; Y162-F194 AromaticContact CD1-CD1 3.58Å; Y162-F194 HydrophobicContact CD1-CD1 3.58Å; Y162-F194 AromaticContact CD1-CE1 3.81Å; Y162-F194 HydrophobicContact CD1-CE1 3.81Å; Y162-F194 AromaticContact CE1-CD1 3.69Å; Y162-F194 HydrophobicContact CE1-CD1 3.69Å; Y162-F194 HydrophobicContact CE1-CE1 4.29Å; Y162-F194 HydrophobicContact CG-CD1 4.26Å; Y162-F194 HydrophobicContact CG-CE1 4.05Å; V166-F194 HydrophobicContact CG1-CB 4.27Å; V166-F194 HydrophobicContact CG1-CD1 3.68Å; V166-F194 HydrophobicContact CG1-CD2 4.38Å; V166-F194 HydrophobicContact CG1-CE1 4.05Å; V166-F194 HydrophobicContact CG1-CG 3.85Å; V166-F194 HydrophobicContact CG2-CE2 4.4Å; V166-F194 HydrophobicContact CG2-CZ 4.43Å; S187-F194 VanDerWaalsContact CB-CE2 3.5Å; H190-F194 HydrophobicContact CB-CD2 4.14Å; H190-F194 HydrophobicContact CB-CE2 4.12Å; H190-F194 VanDerWaalsContact O-CD2 3.28Å; H190-F194 WeakPolarHBondContact O-CD2 3.25Å; H190-F194 PolarHBondContact O-N 2.74Å; A191-F194 PolarHBondContact O-N 3.46Å; L192-F194 VanDerWaalsContact C-N 3.34Å; L192-F194 PolarHBondContact O-N 3.02Å; F194-E198 WeakPolarHBondContact O-CB 3.36Å; F194-E198 PolarHBondContact O-N 2.94Å
195	I	97.7	Very high	94.7	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-63.1	-50	175.2	-72.7	-58.9	0	0	0	110.9	L170 V173 F178 L183 A191 L192 Y197 E198 L199 A241 T244 Q245	L170-I195 HydrophobicContact CD2-CD1 3.88Å; V173-I195 HydrophobicContact CG2-CD1 4Å; F178-I195 HydrophobicContact CE1-CD1 3.85Å; F178-I195 HydrophobicContact CZ-CD1 4.06Å; L183-I195 HydrophobicContact CD2-CD1 3.56Å; L183-I195 HydrophobicContact CD2-CG1 3.4Å; A191-I195 WeakPolarHBondContact O-CG1 3.21Å; A191-I195 PolarHBondContact O-N 3.36Å; L192-I195 PolarHBondContact O-N 3.42Å; I195-Y197 PolarHBondContact O-N 3.4Å; I195-E198 PolarHBondContact O-N 3.39Å; I195-L199 HydrophobicContact CG2-CD1 3.73Å; I195-L199 HydrophobicContact CG2-CG 4.31Å; I195-L199 WeakPolarHBondContact O-CB 3.46Å; I195-L199 VanDerWaalsContact O-CG 3.25Å; I195-L199 WeakPolarHBondContact O-CG 3.09Å; I195-L199 PolarHBondContact O-N 2.84Å; I195-A241 HydrophobicContact CG1-CB 4.35Å; I195-T244 HydrophobicContact CG2-CG2 3.87Å; I195-Q245 HydrophobicContact CD1-CB 4.25Å; I195-Q245 HydrophobicContact CD1-CG 4.34Å; I195-Q245 HydrophobicContact CG2-CB 4.29Å
196	F	98.1	Very high	94.3	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-61.5	-49.4	-176.3	-171.4	-109.5	0	0	0	111.2	L192 E198 L199 L200 V216 F219 V220 I269 F270 A273 I324	L192-F196 WeakPolarHBondContact O-CB 3.29Å; L192-F196 PolarHBondContact O-N 3.24Å; F196-E198 PolarHBondContact O-N 3.18Å; F196-L199 PolarHBondContact O-N 3.35Å; F196-L200 HydrophobicContact CD1-CD1 4.02Å; F196-L200 HydrophobicContact CD1-CG 4.44Å; F196-L200 HydrophobicContact CE1-CD1 3.53Å; F196-L200 HydrophobicContact CE1-CG 4.22Å; F196-L200 HydrophobicContact CZ-CD1 3.86Å; F196-L200 HydrophobicContact CZ-CD2 4.38Å; F196-L200 HydrophobicContact CZ-CG 4.28Å; F196-L200 WeakPolarHBondContact O-CG 3.26Å; F196-L200 PolarHBondContact O-N 3.06Å; F196-V216 HydrophobicContact CD1-CG1 4.22Å; F196-V216 HydrophobicContact CE1-CG1 4.29Å; F196-F219 HydrophobicContact CE1-CD1 4.18Å; F196-F219 HydrophobicContact CE1-CE1 4.25Å; F196-F219 HydrophobicContact CZ-CE1 4.31Å; F196-V220 HydrophobicContact CB-CG2 4.18Å; F196-V220 HydrophobicContact CD1-CB 4.34Å; F196-V220 HydrophobicContact CD1-CG2 4.21Å; F196-V220 HydrophobicContact CG-CG2 4.45Å; F196-I269 HydrophobicContact CD2-CG2 3.84Å; F196-I269 HydrophobicContact CE2-CG2 3.84Å; F196-F270 HydrophobicContact CZ-CD2 4.3Å; F196-A273 HydrophobicContact CD2-CB 3.7Å; F196-A273 HydrophobicContact CE2-CB 3.86Å; F196-I324 HydrophobicContact CE1-CD1 4.14Å; F196-I324 HydrophobicContact CZ-CD1 3.93Å
197	Y	95.4	Very high	93.9	Very high	22 Å²	22	31.5 Å²	31.5	9%	0.086	17%	0.173	C	C	.	.	H	α-helix	trans	-64.4	-41.1	178.8	-177.1	-87.2	0	0	0	112.7	L160 Y162 K193 I195 L199 T201 I206 I213 V216	L160-Y197 HydrophobicContact CB-CD1 3.99Å; L160-Y197 HydrophobicContact CB-CD2 4.48Å; L160-Y197 HydrophobicContact CB-CE1 3.77Å; L160-Y197 HydrophobicContact CB-CE2 4.28Å; L160-Y197 HydrophobicContact CB-CG 4.35Å; L160-Y197 HydrophobicContact CD2-CD1 4.09Å; L160-Y197 HydrophobicContact CD2-CG 4.22Å; Y162-Y197 HydrophobicContact CE2-CD1 4.16Å; Y162-Y197 HydrophobicContact CE2-CE1 4.02Å; Y162-Y197 AromaticContact CZ-CD1 3.93Å; Y162-Y197 WeakPolarHBondContact OH-CD1 3.43Å; K193-Y197 VanDerWaalsContact O-CB 3.25Å; K193-Y197 WeakPolarHBondContact O-CB 3.4Å; K193-Y197 PolarHBondContact O-N 3.4Å; I195-Y197 PolarHBondContact O-N 3.4Å; Y197-L199 PolarHBondContact O-N 3.09Å; Y197-T201 WeakPolarHBondContact O-CB 3.36Å; Y197-T201 PolarHBondContact O-N 2.99Å; Y197-T201 PolarHBondContact O-OG1 3.23Å; Y197-I206 HydrophobicContact CD2-CD1 4.43Å; Y197-I206 HydrophobicContact CE2-CD1 4.08Å; Y197-I213 HydrophobicContact CE2-CG2 4.08Å; Y197-V216 HydrophobicContact CD2-CB 4.46Å; Y197-V216 HydrophobicContact CD2-CG1 3.84Å
198	E	93.8	Very high	93.6	Very high	37 Å²	37	36 Å²	36	17%	0.173	19%	0.189	C	C	.	.	H	α-helix	trans	-59.1	-47.5	175.9	178.1	60.6	-156.6	0	0	111.1	Y162 F194 I195 F196 T201 R202	Y162-E198 PolarHBondContact OH-OE2 2.69Å; F194-E198 WeakPolarHBondContact O-CB 3.36Å; F194-E198 PolarHBondContact O-N 2.94Å; I195-E198 PolarHBondContact O-N 3.39Å; F196-E198 PolarHBondContact O-N 3.18Å; E198-T201 PolarHBondContact O-N 3.48Å; E198-R202 WeakPolarHBondContact O-CB 3.23Å; E198-R202 PolarHBondContact O-N 3.31Å
199	L	94.4	Very high	93.5	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-69.6	-42.3	-177.8	-65	178.9	0	0	0	112.3	I195 F196 Y197 T201 R202 Y203 T244 H248 I269	I195-L199 HydrophobicContact CG2-CD1 3.73Å; I195-L199 HydrophobicContact CG2-CG 4.31Å; I195-L199 WeakPolarHBondContact O-CB 3.46Å; I195-L199 VanDerWaalsContact O-CG 3.25Å; I195-L199 WeakPolarHBondContact O-CG 3.09Å; I195-L199 PolarHBondContact O-N 2.84Å; F196-L199 PolarHBondContact O-N 3.35Å; Y197-L199 PolarHBondContact O-N 3.09Å; L199-T201 PolarHBondContact O-N 3.02Å; L199-R202 PolarHBondContact O-N 3.27Å; L199-Y203 HydrophobicContact CB-CD2 4.39Å; L199-Y203 HydrophobicContact CD2-CE2 4.29Å; L199-Y203 VanDerWaalsContact O-CD2 3.23Å; L199-Y203 WeakPolarHBondContact O-CD2 3.17Å; L199-Y203 PolarHBondContact O-N 3.06Å; L199-T244 HydrophobicContact CD1-CG2 3.82Å; L199-H248 HydrophobicContact CD1-CB 3.77Å; L199-H248 HydrophobicContact CD2-CB 3.75Å; L199-H248 WeakPolarHBondContact CD2-ND1 3.48Å; L199-H248 HydrophobicContact CG-CB 4.42Å; L199-I269 HydrophobicContact CB-CD1 4.21Å; L199-I269 HydrophobicContact CB-CG2 4.46Å
200	L	93.9	Very high	93.3	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-59.5	-37.8	174.2	-68.1	-169.6	0	0	0	112	F196 D204 L205 I206 V216 F266 I269	F196-L200 HydrophobicContact CD1-CD1 4.02Å; F196-L200 HydrophobicContact CD1-CG 4.44Å; F196-L200 HydrophobicContact CE1-CD1 3.53Å; F196-L200 HydrophobicContact CE1-CG 4.22Å; F196-L200 HydrophobicContact CZ-CD1 3.86Å; F196-L200 HydrophobicContact CZ-CD2 4.38Å; F196-L200 HydrophobicContact CZ-CG 4.28Å; F196-L200 WeakPolarHBondContact O-CG 3.26Å; F196-L200 PolarHBondContact O-N 3.06Å; L200-D204 PolarHBondContact O-N 2.82Å; L200-L205 HydrophobicContact CD2-CB 4.11Å; L200-L205 HydrophobicContact CD2-CD1 3.62Å; L200-L205 HydrophobicContact CD2-CG 4.48Å; L200-L205 PolarHBondContact O-N 3.45Å; L200-I206 HydrophobicContact CB-CD1 4.13Å; L200-I206 HydrophobicContact CB-CG1 3.78Å; L200-V216 HydrophobicContact CD1-CG1 3.99Å; L200-V216 HydrophobicContact CD1-CG2 4.17Å; L200-F266 HydrophobicContact CD2-CD2 3.86Å; L200-F266 HydrophobicContact CD2-CE2 3.92Å; L200-I269 HydrophobicContact CD2-CG2 4.36Å
201	T	89.3	Confident	93.1	Very high	34 Å²	34	33.7 Å²	33.7	21%	0.209	16%	0.159	C	C	.	.	H	α-helix	trans	-68.7	-45.6	176.1	-58.7	0	0	0	0	111.1	M150 Y197 E198 L199 Y203 D204	M150-T201 HydrophobicContact CE-CG2 4.1Å; M150-T201 HydrophobicContact SD-CG2 3.93Å; Y197-T201 WeakPolarHBondContact O-CB 3.36Å; Y197-T201 PolarHBondContact O-N 2.99Å; Y197-T201 PolarHBondContact O-OG1 3.23Å; E198-T201 PolarHBondContact O-N 3.48Å; L199-T201 PolarHBondContact O-N 3.02Å; T201-Y203 PolarHBondContact O-N 3.34Å; T201-D204 PolarHBondContact O-N 2.96Å
202	R	86.9	Confident	92.9	Very high	81 Å²	81	36.3 Å²	36.3	31%	0.306	18%	0.176	S	C	.	.	H	α-helix	trans	-69.5	-33.5	-173.7	-169	174.2	-176.9	-170.4	-0.1	113.8	V173 D174 E198 L199 D204 H248	V173-R202 VanDerWaalsContact CG1-NH1 3.3Å; D174-R202 IonicContact OD1-CZ 2.8Å; D174-R202 IonicContact OD1-NH1 3.27Å; D174-R202 PolarHBondContact OD1-NH1 3.37Å; D174-R202 IonicContact OD1-NH2 3.65Å; D174-R202 PolarHBondContact OD1-NH2 3.45Å; D174-R202 IonicContact OD2-CZ 3.39Å; D174-R202 IonicContact OD2-NH1 2.92Å; D174-R202 IonicContact OD2-NH2 2.7Å; D174-R202 PolarHBondContact OD2-NH2 2.86Å; E198-R202 WeakPolarHBondContact O-CB 3.23Å; E198-R202 PolarHBondContact O-N 3.31Å; L199-R202 PolarHBondContact O-N 3.27Å; R202-D204 VanDerWaalsContact C-N 3.27Å; R202-H248 PolarHBondContact NH1-CE1 2.71Å; R202-H248 PolarHBondContact NH1-NE2 3.43Å
203	Y	86.4	Confident	92.5	Very high	33 Å²	33	38.9 Å²	38.9	13%	0.129	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	7.2	172.3	-70.2	-70.3	0	0	0	113.1	L199 T201 L205 H248 V257 I265 I269	L199-Y203 HydrophobicContact CB-CD2 4.39Å; L199-Y203 HydrophobicContact CD2-CE2 4.29Å; L199-Y203 VanDerWaalsContact O-CD2 3.23Å; L199-Y203 WeakPolarHBondContact O-CD2 3.17Å; L199-Y203 PolarHBondContact O-N 3.06Å; T201-Y203 PolarHBondContact O-N 3.34Å; Y203-L205 PolarHBondContact O-N 2.82Å; Y203-L205 VanDerWaalsContact O-N 3.15Å; Y203-H248 AromaticContact CE2-ND1 3.43Å; Y203-H248 WeakPolarHBondContact CE2-ND1 3.26Å; Y203-H248 AromaticContact CZ-ND1 3.4Å; Y203-H248 PolarHBondContact OH-ND1 3.11Å; Y203-V257 HydrophobicContact CD1-CG2 4.49Å; Y203-V257 HydrophobicContact CE1-CG2 3.84Å; Y203-I265 HydrophobicContact CD1-CG2 4Å; Y203-I265 HydrophobicContact CD2-CG2 4.17Å; Y203-I265 HydrophobicContact CE1-CG2 4.26Å; Y203-I265 HydrophobicContact CE2-CG2 4.43Å; Y203-I265 HydrophobicContact CG-CG2 3.95Å; Y203-I269 HydrophobicContact CD2-CD1 3.48Å; Y203-I269 VanDerWaalsContact CD2-CD1 3.48Å; Y203-I269 HydrophobicContact CE2-CD1 3.74Å; Y203-I269 HydrophobicContact CG-CD1 4.4Å
204	D	88.1	Confident	92.3	Very high	92 Å²	92	42 Å²	42	49%	0.492	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.6	24.4	-177.7	-160.7	40.6	0	0	0	114.6	L200 T201 R202 I206 S207 R208	L200-D204 PolarHBondContact O-N 2.82Å; T201-D204 PolarHBondContact O-N 2.96Å; R202-D204 VanDerWaalsContact C-N 3.27Å; D204-I206 PolarHBondContact O-N 3.41Å; D204-S207 PolarHBondContact O-N 3.36Å; D204-S207 WeakPolarHBondContact OD1-CB 3.42Å; D204-R208 WeakPolarHBondContact O-CB 3.36Å; D204-R208 PolarHBondContact O-N 3.37Å
205	L	91.8	Very high	92.2	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.01	21%	0.212	C	C	.	.	H	α-helix	trans	-69.9	-34.2	-174.5	-57.5	177.4	0	0	0	111.9	L200 Y203 S207 R208 F209 E262 I265 F266 I269	L200-L205 HydrophobicContact CD2-CB 4.11Å; L200-L205 HydrophobicContact CD2-CD1 3.62Å; L200-L205 HydrophobicContact CD2-CG 4.48Å; L200-L205 PolarHBondContact O-N 3.45Å; Y203-L205 PolarHBondContact O-N 2.82Å; Y203-L205 VanDerWaalsContact O-N 3.15Å; L205-S207 PolarHBondContact O-N 2.96Å; L205-R208 PolarHBondContact O-N 2.92Å; L205-F209 HydrophobicContact CB-CD2 4.29Å; L205-F209 HydrophobicContact CD2-CD2 4.39Å; L205-F209 HydrophobicContact CD2-CE2 3.93Å; L205-F209 WeakPolarHBondContact O-CB 3.36Å; L205-F209 WeakPolarHBondContact O-CD2 3.42Å; L205-F209 PolarHBondContact O-N 3.4Å; L205-E262 HydrophobicContact CD2-CB 4.35Å; L205-E262 WeakPolarHBondContact CD2-O 3.43Å; L205-I265 HydrophobicContact CD1-CG2 4.38Å; L205-F266 HydrophobicContact CD1-CB 3.94Å; L205-F266 HydrophobicContact CD1-CD2 4.26Å; L205-F266 HydrophobicContact CD1-CG 4.36Å; L205-F266 HydrophobicContact CD2-CB 4.28Å; L205-I269 HydrophobicContact CD1-CD1 3.87Å
206	I	89.9	Confident	92	Very high	23 Å²	23	41.7 Å²	41.7	12%	0.118	21%	0.212	C	C	.	.	H	α-helix	trans	-59	-49.6	176.6	-59.1	-178.7	0	0	0	110.2	Y197 L200 D204 K210 I211 I213	Y197-I206 HydrophobicContact CD2-CD1 4.43Å; Y197-I206 HydrophobicContact CE2-CD1 4.08Å; L200-I206 HydrophobicContact CB-CD1 4.13Å; L200-I206 HydrophobicContact CB-CG1 3.78Å; D204-I206 PolarHBondContact O-N 3.41Å; I206-K210 CarbonylContact O-C 3.5Å; I206-K210 VanDerWaalsContact O-CA 3.29Å; I206-K210 WeakPolarHBondContact O-CA 3.34Å; I206-K210 PolarHBondContact O-N 3.1Å; I206-I211 HydrophobicContact CG2-CB 4.4Å; I206-I211 VanDerWaalsContact CG2-O 3.28Å; I206-I211 WeakPolarHBondContact CG2-O 3.2Å; I206-I211 PolarHBondContact O-N 3.13Å; I206-I213 HydrophobicContact CG2-CG1 4.15Å
207	S	88.7	Confident	91.8	Very high	79 Å²	79	43.1 Å²	43.1	55%	0.552	22%	0.221	S	C	*	.	H	α-helix	trans	-67.4	-49.3	178.1	-179.3	0	0	0	0	110.9	D204 L205 F209 K210	D204-S207 PolarHBondContact O-N 3.36Å; D204-S207 WeakPolarHBondContact OD1-CB 3.42Å; L205-S207 PolarHBondContact O-N 2.96Å; S207-F209 VanDerWaalsContact C-N 3.34Å; S207-F209 PolarHBondContact O-N 3.35Å; S207-K210 PolarHBondContact O-N 3.24Å; S207-K210 VanDerWaalsContact O-N 3.16Å
208	R	89.1	Confident	91.8	Very high	109 Å²	109	43.7 Å²	43.7	41%	0.411	23%	0.228	S	C	.	.	H	α-helix	trans	-59.3	-40.9	-174.6	176.4	57.7	-175.3	80.5	8.4	113.7	D204 L205 E262	D204-R208 WeakPolarHBondContact O-CB 3.36Å; D204-R208 PolarHBondContact O-N 3.37Å; L205-R208 PolarHBondContact O-N 2.92Å; R208-E262 WeakPolarHBondContact CD-OE2 3.39Å; R208-E262 HydrophobicContact CG-CB 4.28Å; R208-E262 IonicContact CZ-OE2 3.62Å; R208-E262 IonicContact NE-OE1 3.86Å; R208-E262 IonicContact NE-OE2 2.71Å; R208-E262 PolarHBondContact NE-OE2 2.91Å; R208-E262 IonicContact NH2-OE2 3.7Å
209	F	93.9	Very high	91.9	Very high	8 Å²	8	42 Å²	42	4%	0.035	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.5	7.9	-179.7	-62	-67.2	0	0	0	113	L205 S207 I211 E262 L263 F266 N327 L328	L205-F209 HydrophobicContact CB-CD2 4.29Å; L205-F209 HydrophobicContact CD2-CD2 4.39Å; L205-F209 HydrophobicContact CD2-CE2 3.93Å; L205-F209 WeakPolarHBondContact O-CB 3.36Å; L205-F209 WeakPolarHBondContact O-CD2 3.42Å; L205-F209 PolarHBondContact O-N 3.4Å; S207-F209 VanDerWaalsContact C-N 3.34Å; S207-F209 PolarHBondContact O-N 3.35Å; F209-I211 VanDerWaalsContact C-N 3.26Å; F209-I211 HydrophobicContact CB-CD1 4.23Å; F209-I211 HydrophobicContact CB-CG1 3.89Å; F209-I211 PolarHBondContact O-N 3.02Å; F209-E262 HydrophobicContact CE2-CB 4.19Å; F209-E262 HydrophobicContact CZ-CB 4.08Å; F209-L263 HydrophobicContact CE1-CB 4.45Å; F209-L263 HydrophobicContact CE1-CD1 3.83Å; F209-L263 HydrophobicContact CZ-CB 3.98Å; F209-L263 HydrophobicContact CZ-CD1 3.92Å; F209-F266 AromaticContact CD2-CD1 3.82Å; F209-F266 HydrophobicContact CD2-CD1 3.82Å; F209-F266 HydrophobicContact CD2-CE1 4.44Å; F209-F266 HydrophobicContact CD2-CG 4.42Å; F209-F266 HydrophobicContact CE2-CB 4.05Å; F209-F266 HydrophobicContact CE2-CD1 4.05Å; F209-F266 HydrophobicContact CE2-CG 4.43Å; F209-F266 HydrophobicContact CG-CD1 4.33Å; F209-N327 WeakPolarHBondContact O-CB 3.31Å; F209-L328 HydrophobicContact CB-CD2 3.91Å; F209-L328 HydrophobicContact CD1-CD2 3.3Å; F209-L328 HydrophobicContact CE1-CD2 4.03Å; F209-L328 HydrophobicContact CG-CD2 3.8Å
210	K	93.9	Very high	92	Very high	155 Å²	155	42 Å²	42	67%	0.674	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.6	42.7	177.8	-54.2	175.2	-176.9	173.4	0	112.1	I206 S207 P212 N327	I206-K210 CarbonylContact O-C 3.5Å; I206-K210 VanDerWaalsContact O-CA 3.29Å; I206-K210 WeakPolarHBondContact O-CA 3.34Å; I206-K210 PolarHBondContact O-N 3.1Å; S207-K210 PolarHBondContact O-N 3.24Å; S207-K210 VanDerWaalsContact O-N 3.16Å; K210-P212 WeakPolarHBondContact O-CD 3.48Å; K210-N327 HydrophobicContact CB-CB 4.18Å; K210-N327 PolarHBondContact O-ND2 3.45Å
211	I	93.9	Very high	92.1	Very high	7 Å²	7	45.8 Å²	45.8	4%	0.036	24%	0.238	C	C	.	.			trans	-75.4	123.3	-177.3	-48.8	179.8	0	0	0	108.4	I206 F209 I213 V216 F266 I324	I206-I211 HydrophobicContact CG2-CB 4.4Å; I206-I211 VanDerWaalsContact CG2-O 3.28Å; I206-I211 WeakPolarHBondContact CG2-O 3.2Å; I206-I211 PolarHBondContact O-N 3.13Å; F209-I211 VanDerWaalsContact C-N 3.26Å; F209-I211 HydrophobicContact CB-CD1 4.23Å; F209-I211 HydrophobicContact CB-CG1 3.89Å; F209-I211 PolarHBondContact O-N 3.02Å; I211-I213 PolarHBondContact O-N 2.85Å; I211-V216 HydrophobicContact CB-CG2 4.37Å; I211-V216 HydrophobicContact CG2-CG2 3.48Å; I211-V216 VanDerWaalsContact CG2-CG2 3.48Å; I211-F266 HydrophobicContact CD1-CE1 3.96Å; I211-F266 HydrophobicContact CD1-CE2 4.32Å; I211-F266 HydrophobicContact CD1-CZ 3.71Å; I211-I324 HydrophobicContact CG2-CB 3.68Å; I211-I324 HydrophobicContact CG2-CG2 4.01Å
212	P	92.6	Very high	92.4	Very high	54 Å²	54	45.1 Å²	45.1	35%	0.351	24%	0.236	S	C	.	.			trans	-61.5	129.6	173	-21.1	33.4	0	0	0	110.6	K210 S214 A215 V216	K210-P212 WeakPolarHBondContact O-CD 3.48Å; P212-S214 PolarHBondContact O-N 2.86Å; P212-A215 HydrophobicContact CB-CB 4.04Å; P212-A215 HydrophobicContact CG-CB 4.39Å; P212-A215 WeakPolarHBondContact O-CB 3.4Å; P212-A215 PolarHBondContact O-N 3.21Å; P212-V216 PolarHBondContact O-N 3.21Å; P212-V216 VanDerWaalsContact O-N 3.15Å
213	I	91.3	Very high	93	Very high	55 Å²	55	41.3 Å²	41.3	28%	0.282	22%	0.222	S	C	.	.	H	α-helix	trans	-59.7	-38	179.7	-71.5	170.4	0	0	0	111.4	V158 Y197 I206 I211 A215 V216 V217	V158-I213 WeakPolarHBondContact O-CD1 3.5Å; Y197-I213 HydrophobicContact CE2-CG2 4.08Å; I206-I213 HydrophobicContact CG2-CG1 4.15Å; I211-I213 PolarHBondContact O-N 2.85Å; I213-A215 VanDerWaalsContact C-N 3.25Å; I213-A215 PolarHBondContact O-N 3.33Å; I213-V216 PolarHBondContact O-N 3.15Å; I213-V217 WeakPolarHBondContact O-CG2 3.36Å; I213-V217 PolarHBondContact O-N 3.24Å; I213-V217 VanDerWaalsContact O-N 3.09Å
214	S	92.3	Very high	93.5	Very high	81 Å²	81	40 Å²	40	57%	0.566	22%	0.217	S	C	*	.	H	α-helix	trans	-59.1	-37	174.6	52	0	0	0	0	112.3	P212 V217 S218	P212-S214 PolarHBondContact O-N 2.86Å; S214-V217 PolarHBondContact O-N 3.12Å; S214-S218 WeakPolarHBondContact O-CB 3.34Å; S214-S218 PolarHBondContact O-N 2.87Å; S214-S218 PolarHBondContact O-OG 2.67Å
215	A	94.5	Very high	94	Very high	3 Å²	3	40.6 Å²	40.6	3%	0.025	22%	0.224	C	C	.	.	H	α-helix	trans	-69.5	-40.1	177	0	0	0	0	0	112.1	P212 I213 V217 S218 F219 E321 I324	P212-A215 HydrophobicContact CB-CB 4.04Å; P212-A215 HydrophobicContact CG-CB 4.39Å; P212-A215 WeakPolarHBondContact O-CB 3.4Å; P212-A215 PolarHBondContact O-N 3.21Å; I213-A215 VanDerWaalsContact C-N 3.25Å; I213-A215 PolarHBondContact O-N 3.33Å; A215-V217 VanDerWaalsContact C-N 3.34Å; A215-V217 PolarHBondContact O-N 3.45Å; A215-S218 PolarHBondContact O-N 2.72Å; A215-F219 WeakPolarHBondContact O-CB 3.25Å; A215-F219 PolarHBondContact O-N 3.17Å; A215-E321 WeakPolarHBondContact CA-O 3.3Å; A215-E321 WeakPolarHBondContact CB-O 3.24Å; A215-I324 HydrophobicContact CB-CG2 4.16Å
216	V	94.7	Very high	94.3	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-59.4	-46.9	174.9	-178.7	0	0	0	0	111.1	F196 Y197 L200 I211 P212 I213 V220 I324	F196-V216 HydrophobicContact CD1-CG1 4.22Å; F196-V216 HydrophobicContact CE1-CG1 4.29Å; Y197-V216 HydrophobicContact CD2-CB 4.46Å; Y197-V216 HydrophobicContact CD2-CG1 3.84Å; L200-V216 HydrophobicContact CD1-CG1 3.99Å; L200-V216 HydrophobicContact CD1-CG2 4.17Å; I211-V216 HydrophobicContact CB-CG2 4.37Å; I211-V216 HydrophobicContact CG2-CG2 3.48Å; I211-V216 VanDerWaalsContact CG2-CG2 3.48Å; P212-V216 PolarHBondContact O-N 3.21Å; P212-V216 VanDerWaalsContact O-N 3.15Å; I213-V216 PolarHBondContact O-N 3.15Å; V216-V220 WeakPolarHBondContact O-CB 3.5Å; V216-V220 VanDerWaalsContact O-CG1 3.3Å; V216-V220 WeakPolarHBondContact O-CG1 3.27Å; V216-V220 PolarHBondContact O-N 2.69Å; V216-I324 HydrophobicContact CG2-CG2 4.17Å
217	V	92.9	Very high	94.7	Very high	30 Å²	30	39.8 Å²	39.8	18%	0.182	22%	0.221	C	C	.	.	H	α-helix	trans	-64.3	-50.4	179.8	176.1	0	0	0	0	110.8	L160 I213 S214 A215 F219 V220 E221	L160-V217 HydrophobicContact CD1-CG2 4.1Å; I213-V217 WeakPolarHBondContact O-CG2 3.36Å; I213-V217 PolarHBondContact O-N 3.24Å; I213-V217 VanDerWaalsContact O-N 3.09Å; S214-V217 PolarHBondContact O-N 3.12Å; A215-V217 VanDerWaalsContact C-N 3.34Å; A215-V217 PolarHBondContact O-N 3.45Å; V217-F219 PolarHBondContact O-N 3.1Å; V217-V220 PolarHBondContact O-N 3.5Å; V217-E221 HydrophobicContact CG1-CG 4.4Å; V217-E221 WeakPolarHBondContact O-CB 3.25Å; V217-E221 VanDerWaalsContact O-CG 3.29Å; V217-E221 WeakPolarHBondContact O-CG 3.48Å; V217-E221 PolarHBondContact O-N 2.7Å
218	S	94.6	Very high	95.2	Very high	35 Å²	35	38.8 Å²	38.8	25%	0.245	21%	0.214	C	C	.	.	H	α-helix	trans	-63.5	-43.1	-177.4	-52	0	0	0	0	111.7	S214 A215 A222	S214-S218 WeakPolarHBondContact O-CB 3.34Å; S214-S218 PolarHBondContact O-N 2.87Å; S214-S218 PolarHBondContact O-OG 2.67Å; A215-S218 PolarHBondContact O-N 2.72Å; S218-A222 WeakPolarHBondContact O-CB 3.22Å; S218-A222 PolarHBondContact O-N 3.21Å; S218-A222 VanDerWaalsContact O-N 3.09Å
219	F	97.1	Very high	95.6	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-59.5	-52.5	175.9	172.1	-107.6	0	0	0	112	F196 A215 V217 E221 A222 L223 F270 V274 L315 L316 M322 I324	F196-F219 HydrophobicContact CE1-CD1 4.18Å; F196-F219 HydrophobicContact CE1-CE1 4.25Å; F196-F219 HydrophobicContact CZ-CE1 4.31Å; A215-F219 WeakPolarHBondContact O-CB 3.25Å; A215-F219 PolarHBondContact O-N 3.17Å; V217-F219 PolarHBondContact O-N 3.1Å; F219-E221 VanDerWaalsContact C-N 3.34Å; F219-E221 PolarHBondContact O-N 3.28Å; F219-A222 PolarHBondContact O-N 3.13Å; F219-L223 HydrophobicContact CE1-CD2 4.02Å; F219-L223 HydrophobicContact CZ-CD1 4.15Å; F219-L223 HydrophobicContact CZ-CD2 4.14Å; F219-L223 WeakPolarHBondContact O-CB 3.27Å; F219-L223 PolarHBondContact O-N 3.37Å; F219-F270 HydrophobicContact CE1-CD2 4.37Å; F219-F270 AromaticContact CE1-CE2 3.85Å; F219-F270 HydrophobicContact CE1-CE2 3.85Å; F219-F270 HydrophobicContact CE2-CE2 4.31Å; F219-F270 HydrophobicContact CZ-CD2 4.39Å; F219-F270 AromaticContact CZ-CE2 3.48Å; F219-F270 HydrophobicContact CZ-CE2 3.48Å; F219-F270 VanDerWaalsContact CZ-CE2 3.48Å; F219-F270 HydrophobicContact CZ-CZ 4.16Å; F219-V274 HydrophobicContact CZ-CG1 4.14Å; F219-L315 HydrophobicContact CD2-CD2 4.09Å; F219-L315 HydrophobicContact CD2-CG 4.45Å; F219-L315 HydrophobicContact CE2-CD2 3.9Å; F219-L315 HydrophobicContact CE2-CG 4.46Å; F219-L316 HydrophobicContact CD2-CD2 3.4Å; F219-L316 VanDerWaalsContact CD2-CD2 3.4Å; F219-L316 HydrophobicContact CD2-CG 4.1Å; F219-L316 HydrophobicContact CE2-CD2 3.55Å; F219-L316 HydrophobicContact CE2-CG 3.81Å; F219-L316 HydrophobicContact CG-CD2 4.11Å; F219-L316 HydrophobicContact CZ-CD2 4.36Å; F219-M322 HydrophobicContact CB-CB 4.42Å; F219-M322 WeakPolarHBondContact CB-O 3.18Å; F219-I324 HydrophobicContact CB-CG2 3.92Å; F219-I324 HydrophobicContact CD1-CD1 3.93Å; F219-I324 HydrophobicContact CD1-CG2 4.37Å; F219-I324 HydrophobicContact CE1-CD1 4.02Å; F219-I324 HydrophobicContact CG-CG2 4.25Å
220	V	96.1	Very high	95.7	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.006	23%	0.234	C	C	.	.	H	α-helix	trans	-72.4	-29.8	-173.2	76.8	0	0	0	0	112.3	L192 K193 F196 V216 V217 L223 E224	L192-V220 HydrophobicContact CG-CG2 4.19Å; K193-V220 HydrophobicContact CB-CG1 3.77Å; K193-V220 HydrophobicContact CB-CG2 4.27Å; K193-V220 HydrophobicContact CD-CG1 4.06Å; K193-V220 HydrophobicContact CG-CG1 3.59Å; F196-V220 HydrophobicContact CB-CG2 4.18Å; F196-V220 HydrophobicContact CD1-CB 4.34Å; F196-V220 HydrophobicContact CD1-CG2 4.21Å; F196-V220 HydrophobicContact CG-CG2 4.45Å; V216-V220 WeakPolarHBondContact O-CB 3.5Å; V216-V220 VanDerWaalsContact O-CG1 3.3Å; V216-V220 WeakPolarHBondContact O-CG1 3.27Å; V216-V220 PolarHBondContact O-N 2.69Å; V217-V220 PolarHBondContact O-N 3.5Å; V220-L223 WeakPolarHBondContact O-CB 3.36Å; V220-L223 PolarHBondContact O-N 3.47Å; V220-E224 WeakPolarHBondContact O-CG 3.3Å; V220-E224 PolarHBondContact O-N 2.62Å
221	E	95.3	Very high	95.9	Very high	79 Å²	79	43.2 Å²	43.2	37%	0.369	24%	0.237	S	C	.	.	H	α-helix	trans	-65.8	-43.1	171.6	-72.7	-178.8	163.2	0	0	111.2	K193 V217 F219 L223 E224 V225	K193-E221 HydrophobicContact CD-CG 3.83Å; K193-E221 IonicContact NZ-OE1 3.8Å; K193-E221 PolarHBondContact NZ-OE1 2.99Å; V217-E221 HydrophobicContact CG1-CG 4.4Å; V217-E221 WeakPolarHBondContact O-CB 3.25Å; V217-E221 VanDerWaalsContact O-CG 3.29Å; V217-E221 WeakPolarHBondContact O-CG 3.48Å; V217-E221 PolarHBondContact O-N 2.7Å; F219-E221 VanDerWaalsContact C-N 3.34Å; F219-E221 PolarHBondContact O-N 3.28Å; E221-L223 VanDerWaalsContact C-N 3.3Å; E221-L223 PolarHBondContact O-N 3.38Å; E221-E224 PolarHBondContact O-N 3.13Å; E221-V225 WeakPolarHBondContact O-CG2 3.42Å; E221-V225 PolarHBondContact O-N 3.49Å; E221-V225 VanDerWaalsContact O-N 3.09Å
222	A	97.3	Very high	96.1	Very high	21 Å²	21	43.4 Å²	43.4	17%	0.174	24%	0.238	C	C	.	.	H	α-helix	trans	-67.3	-32.4	174.3	0	0	0	0	0	112.6	S218 F219 V225 G226 L315 M322	S218-A222 WeakPolarHBondContact O-CB 3.22Å; S218-A222 PolarHBondContact O-N 3.21Å; S218-A222 VanDerWaalsContact O-N 3.09Å; F219-A222 PolarHBondContact O-N 3.13Å; A222-V225 PolarHBondContact O-N 3.38Å; A222-G226 PolarHBondContact O-N 3.35Å; A222-G226 VanDerWaalsContact O-N 3.1Å; A222-L315 HydrophobicContact CB-CD1 3.88Å; A222-L315 HydrophobicContact CB-CD2 4.15Å; A222-L315 HydrophobicContact CB-CG 4.42Å; A222-M322 HydrophobicContact CB-CE 4.38Å; A222-M322 HydrophobicContact CB-SD 3.89Å
223	L	98	Very high	96.4	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-64.6	-47	173.9	-165.9	71.8	0	0	0	111.3	L192 F219 V220 E221 V225 G226 Y227 A273 V274 Y277 L315	L192-L223 HydrophobicContact CD2-CD2 3.8Å; L192-L223 HydrophobicContact CD2-CG 4.22Å; F219-L223 HydrophobicContact CE1-CD2 4.02Å; F219-L223 HydrophobicContact CZ-CD1 4.15Å; F219-L223 HydrophobicContact CZ-CD2 4.14Å; F219-L223 WeakPolarHBondContact O-CB 3.27Å; F219-L223 PolarHBondContact O-N 3.37Å; V220-L223 WeakPolarHBondContact O-CB 3.36Å; V220-L223 PolarHBondContact O-N 3.47Å; E221-L223 VanDerWaalsContact C-N 3.3Å; E221-L223 PolarHBondContact O-N 3.38Å; L223-V225 VanDerWaalsContact C-N 3.29Å; L223-V225 PolarHBondContact O-N 2.83Å; L223-G226 PolarHBondContact O-N 2.85Å; L223-Y227 HydrophobicContact CD1-CE2 4.44Å; L223-Y227 HydrophobicContact CD2-CE2 4.5Å; L223-Y227 HydrophobicContact CG-CD2 4.21Å; L223-Y227 HydrophobicContact CG-CE2 4.06Å; L223-Y227 WeakPolarHBondContact O-CD2 3.41Å; L223-Y227 PolarHBondContact O-N 2.78Å; L223-A273 HydrophobicContact CD2-CB 4.39Å; L223-V274 HydrophobicContact CD1-CG1 3.94Å; L223-V274 HydrophobicContact CD2-CG1 4.14Å; L223-Y277 HydrophobicContact CD1-CD1 4.39Å; L223-Y277 HydrophobicContact CD1-CD2 3.35Å; L223-Y277 HydrophobicContact CD1-CE2 3.66Å; L223-Y277 HydrophobicContact CD1-CG 3.76Å; L223-Y277 HydrophobicContact CG-CD2 4.1Å; L223-Y277 HydrophobicContact CG-CE2 4.31Å; L223-Y277 VanDerWaalsContact O-CE2 3.28Å; L223-Y277 WeakPolarHBondContact O-CE2 3.41Å; L223-L315 HydrophobicContact CB-CD2 4.42Å; L223-L315 HydrophobicContact CD1-CD2 4.26Å
224	E	98.4	Very high	96.8	Very high	6 Å²	6	39.8 Å²	39.8	3%	0.028	22%	0.217	C	C	.	.	H	α-helix	trans	-62.2	-35.7	175.9	-75.8	-178.4	156	0	0	112.6	H190 L192 K193 V220 E221 Y227 S228 L237	H190-E224 VanDerWaalsContact CA-OE1 3.26Å; H190-E224 WeakPolarHBondContact CA-OE1 3.25Å; H190-E224 IonicContact CE1-OE2 3.56Å; H190-E224 IonicContact CG-OE2 3.86Å; H190-E224 IonicContact ND1-OE2 2.62Å; H190-E224 PolarHBondContact ND1-OE2 2.84Å; L192-E224 HydrophobicContact CB-CG 3.95Å; L192-E224 WeakPolarHBondContact CB-OE1 3.27Å; L192-E224 HydrophobicContact CD2-CG 4.27Å; L192-E224 PolarHBondContact N-OE1 2.84Å; L192-E224 VanDerWaalsContact N-OE1 3.16Å; K193-E224 PolarHBondContact N-OE1 3.43Å; V220-E224 WeakPolarHBondContact O-CG 3.3Å; V220-E224 PolarHBondContact O-N 2.62Å; E221-E224 PolarHBondContact O-N 3.13Å; E224-Y227 PolarHBondContact O-N 3.48Å; E224-S228 WeakPolarHBondContact O-CB 3.42Å; E224-S228 PolarHBondContact O-N 3.49Å; E224-S228 PolarHBondContact O-OG 2.89Å; E224-L237 HydrophobicContact CB-CD2 4.15Å; E224-L237 HydrophobicContact CG-CB 4.15Å; E224-L237 HydrophobicContact CG-CD2 4.17Å
225	V	98	Very high	97.1	Very high	105 Å²	105	37.3 Å²	37.3	64%	0.636	20%	0.197	S	C	*	.	H	α-helix	trans	-61.7	-46.2	173.2	169.6	0	0	0	0	111.2	E221 A222 L223 S228 K229	E221-V225 WeakPolarHBondContact O-CG2 3.42Å; E221-V225 PolarHBondContact O-N 3.49Å; E221-V225 VanDerWaalsContact O-N 3.09Å; A222-V225 PolarHBondContact O-N 3.38Å; L223-V225 VanDerWaalsContact C-N 3.29Å; L223-V225 PolarHBondContact O-N 2.83Å; V225-S228 PolarHBondContact O-N 3.4Å; V225-S228 VanDerWaalsContact O-N 3.08Å; V225-K229 PolarHBondContact O-N 2.81Å
226	G	98.2	Very high	97.3	Very high	5 Å²	5	38.4 Å²	38.4	5%	0.052	20%	0.202	C	C	.	.	H	α-helix	trans	-67.4	-35.6	178.5	0	0	0	0	0	113.3	A222 L223 S228 K229 Y277	A222-G226 PolarHBondContact O-N 3.35Å; A222-G226 VanDerWaalsContact O-N 3.1Å; L223-G226 PolarHBondContact O-N 2.85Å; G226-S228 PolarHBondContact O-N 3.44Å; G226-K229 WeakPolarHBondContact O-CB 3.49Å; G226-K229 PolarHBondContact O-N 2.69Å; G226-Y277 VanDerWaalsContact CA-CE2 3.45Å
227	Y	98.8	Very high	97.5	Very high	2 Å²	2	39 Å²	39	1%	0.008	21%	0.205	C	C	.	.	H	α-helix	trans	-61.5	-30	169.2	-89.1	-70.9	0	0	0	113.2	L192 L223 E224 L237 A240 A273 D276 Y277	L192-Y227 HydrophobicContact CD2-CD2 3.91Å; L192-Y227 HydrophobicContact CD2-CE2 3.86Å; L223-Y227 HydrophobicContact CD1-CE2 4.44Å; L223-Y227 HydrophobicContact CD2-CE2 4.5Å; L223-Y227 HydrophobicContact CG-CD2 4.21Å; L223-Y227 HydrophobicContact CG-CE2 4.06Å; L223-Y227 WeakPolarHBondContact O-CD2 3.41Å; L223-Y227 PolarHBondContact O-N 2.78Å; E224-Y227 PolarHBondContact O-N 3.48Å; Y227-L237 HydrophobicContact CG-CB 4.31Å; Y227-A240 HydrophobicContact CE1-CB 3.89Å; Y227-A240 HydrophobicContact CE2-CB 3.81Å; Y227-A240 VanDerWaalsContact CZ-CB 3.45Å; Y227-A240 WeakPolarHBondContact OH-CB 3.18Å; Y227-A273 WeakPolarHBondContact CE2-O 3.47Å; Y227-A273 PolarHBondContact OH-O 2.92Å; Y227-A273 VanDerWaalsContact OH-O 3.14Å; Y227-D276 VanDerWaalsContact CE1-C 3.47Å; Y227-D276 HydrophobicContact CE1-CB 3.65Å; Y227-D276 VanDerWaalsContact CE1-O 3.26Å; Y227-D276 WeakPolarHBondContact CE1-O 3.2Å; Y227-D276 PolarHBondContact OH-N 2.82Å; Y227-Y277 HydrophobicContact CD2-CD2 4.06Å; Y227-Y277 HydrophobicContact CE2-CD2 4.13Å; Y227-Y277 PolarHBondContact OH-N 3.4Å
228	S	97.8	Very high	97.8	Very high	59 Å²	59	38.6 Å²	38.6	41%	0.413	20%	0.202	S	C	.	.	H	α-helix	trans	-85.3	-9.4	-178.8	-58.9	0	0	0	0	113.7	E224 V225 G226 H230 K231	E224-S228 WeakPolarHBondContact O-CB 3.42Å; E224-S228 PolarHBondContact O-N 3.49Å; E224-S228 PolarHBondContact O-OG 2.89Å; V225-S228 PolarHBondContact O-N 3.4Å; V225-S228 VanDerWaalsContact O-N 3.08Å; G226-S228 PolarHBondContact O-N 3.44Å; S228-H230 VanDerWaalsContact C-N 3.31Å; S228-H230 PolarHBondContact O-N 2.91Å; S228-K231 PolarHBondContact O-N 3.24Å
229	K	97.4	Very high	98	Very high	113 Å²	113	37 Å²	37	49%	0.491	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53	-43.4	-173.9	-175.2	178.8	-176.6	177.2	0	113.7	V225 G226 E278	V225-K229 PolarHBondContact O-N 2.81Å; G226-K229 WeakPolarHBondContact O-CB 3.49Å; G226-K229 PolarHBondContact O-N 2.69Å; K229-E278 HydrophobicContact CD-CG 4.33Å; K229-E278 WeakPolarHBondContact CD-OE1 3.47Å; K229-E278 IonicContact NZ-OE1 3.24Å; K229-E278 PolarHBondContact NZ-OE1 3.25Å; K229-E278 IonicContact NZ-OE2 3.47Å; K229-E278 PolarHBondContact NZ-OE2 3.4Å
230	H	97.8	Very high	98.1	Very high	81 Å²	81	37 Å²	37	38%	0.375	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-2.9	-175.5	-64.6	-74.1	0	0	0	114	S228 N232 H279	S228-H230 VanDerWaalsContact C-N 3.31Å; S228-H230 PolarHBondContact O-N 2.91Å; H230-N232 VanDerWaalsContact C-N 3.28Å; H230-N232 VanDerWaalsContact CB-OD1 3.29Å; H230-N232 WeakPolarHBondContact CB-OD1 3.44Å; H230-N232 PolarHBondContact O-N 3.45Å; H230-H279 PolarHBondContact CD2-O 3.37Å
231	K	97.4	Very high	98.2	Very high	170 Å²	170	37 Å²	37	74%	0.739	19%	0.19	S	C	*	.			trans	52.6	45.8	-179.5	-56.3	-179.6	-178.4	179.7	0	112.7	S228 R407	S228-K231 PolarHBondContact O-N 3.24Å; K231-R407 PolarHBondContact O-NH1 2.89Å
232	N	98.6	Very high	98.4	Very high	12 Å²	12	33.4 Å²	33.4	6%	0.064	17%	0.174	C	C	.	.			trans	-66.9	133.7	-177.9	-66.7	-16.9	0	0	0	111.3	H230 Y234 H235 N236 H279 G281 E404	H230-N232 VanDerWaalsContact C-N 3.28Å; H230-N232 VanDerWaalsContact CB-OD1 3.29Å; H230-N232 WeakPolarHBondContact CB-OD1 3.44Å; H230-N232 PolarHBondContact O-N 3.45Å; N232-Y234 VanDerWaalsContact C-N 3.34Å; N232-H235 VanDerWaalsContact CB-O 3.26Å; N232-H235 WeakPolarHBondContact CB-O 3.47Å; N232-H235 PolarHBondContact ND2-O 3.22Å; N232-N236 PolarHBondContact O-ND2 3.17Å; N232-H279 PolarHBondContact ND2-O 3.27Å; N232-G281 WeakPolarHBondContact OD1-CA 3.47Å; N232-G281 PolarHBondContact OD1-N 3.23Å; N232-E404 WeakPolarHBondContact CB-OE2 3.33Å
233	P	98.6	Very high	98.5	Very high	22 Å²	22	32.5 Å²	32.5	14%	0.143	17%	0.166	C	C	.	.	S	Bend	trans	-61.6	-36.7	172.2	-24.6	34.9	0	0	0	114.2	N236 S400 E403 E404 R407	P233-N236 PolarHBondContact O-ND2 2.93Å; P233-N236 VanDerWaalsContact O-ND2 3.12Å; P233-S400 VanDerWaalsContact CB-O 3.31Å; P233-S400 WeakPolarHBondContact CB-O 3.31Å; P233-S400 VanDerWaalsContact O-CB 3.25Å; P233-S400 WeakPolarHBondContact O-CB 3.25Å; P233-S400 PolarHBondContact O-OG 3.23Å; P233-S400 VanDerWaalsContact O-OG 3.07Å; P233-E403 HydrophobicContact CB-CB 4.26Å; P233-E403 HydrophobicContact CB-CG 4.04Å; P233-E403 HydrophobicContact CG-CB 4.37Å; P233-E403 HydrophobicContact CG-CG 3.75Å; P233-E404 HydrophobicContact CB-CB 4.25Å; P233-E404 WeakPolarHBondContact CD-OE2 3.31Å; P233-E404 HydrophobicContact CG-CB 4.09Å; P233-R407 VanDerWaalsContact CG-CZ 3.5Å
234	Y	98.9	Very high	98.5	Very high	10 Å²	10	32.5 Å²	32.5	4%	0.039	17%	0.166	C	C	.	.	S	Bend	trans	-112.5	-63.5	-175.9	-175.3	-88.9	0	0	0	112.5	N232 N236 H239 W397 L401 E404	N232-Y234 VanDerWaalsContact C-N 3.34Å; Y234-N236 PolarHBondContact O-N 2.75Å; Y234-N236 PolarHBondContact O-ND2 2.91Å; Y234-H239 AromaticContact CE1-CE1 3.59Å; Y234-H239 AromaticContact CE1-ND1 3.59Å; Y234-H239 AromaticContact CZ-CE1 3.74Å; Y234-H239 AromaticContact CZ-ND1 3.61Å; Y234-H239 WeakPolarHBondContact O-CB 3.23Å; Y234-H239 PolarHBondContact OH-CE1 3.03Å; Y234-W397 AromaticContact CD2-CE3 3.59Å; Y234-W397 HydrophobicContact CD2-CE3 3.59Å; Y234-W397 HydrophobicContact CD2-CZ3 4.16Å; Y234-W397 WeakPolarHBondContact CD2-O 3.46Å; Y234-W397 HydrophobicContact CE2-CB 4.18Å; Y234-W397 HydrophobicContact CE2-CD2 4.19Å; Y234-W397 AromaticContact CE2-CE3 3.61Å; Y234-W397 HydrophobicContact CE2-CE3 3.61Å; Y234-W397 HydrophobicContact CE2-CG 4.47Å; Y234-W397 HydrophobicContact CE2-CZ3 4.38Å; Y234-L401 HydrophobicContact CD1-CD1 3.81Å; Y234-L401 HydrophobicContact CD2-CB 3.56Å; Y234-L401 HydrophobicContact CD2-CD1 4.1Å; Y234-L401 HydrophobicContact CD2-CG 4.34Å; Y234-L401 HydrophobicContact CE1-CD1 4.19Å; Y234-L401 HydrophobicContact CE2-CB 4Å; Y234-L401 HydrophobicContact CE2-CD1 4.45Å; Y234-L401 HydrophobicContact CG-CB 3.99Å; Y234-L401 HydrophobicContact CG-CD1 3.76Å; Y234-L401 HydrophobicContact CG-CG 4.46Å; Y234-E404 WeakPolarHBondContact CA-OE2 3.47Å; Y234-E404 WeakPolarHBondContact CB-OE2 3.49Å; Y234-E404 PolarHBondContact N-OE2 3.4Å
235	H	98.9	Very high	98.5	Very high	30 Å²	30	32.2 Å²	32.2	14%	0.139	16%	0.164	C	C	.	.	S	Bend	trans	-77.2	73.3	-174	-57.3	91.3	0	0	0	110.7	N232 D276 H279 E404	N232-H235 VanDerWaalsContact CB-O 3.26Å; N232-H235 WeakPolarHBondContact CB-O 3.47Å; N232-H235 PolarHBondContact ND2-O 3.22Å; H235-D276 IonicContact CD2-OD2 3.21Å; H235-D276 PolarHBondContact CD2-OD2 3.45Å; H235-D276 VanDerWaalsContact CD2-OD2 3.27Å; H235-H279 HydrophobicContact CB-CB 3.76Å; H235-H279 WeakPolarHBondContact CB-ND1 3.45Å; H235-H279 AromaticContact CE1-CE1 3.88Å; H235-H279 AromaticContact CG-CE1 3.66Å; H235-H279 AromaticContact CG-CG 3.85Å; H235-H279 AromaticContact CG-ND1 3.58Å; H235-H279 AromaticContact CG-NE2 3.97Å; H235-H279 AromaticContact ND1-CE1 3.45Å; H235-H279 PolarHBondContact ND1-CE1 2.92Å; H235-H279 AromaticContact ND1-ND1 3.69Å; H235-E404 IonicContact CE1-OE1 3.71Å; H235-E404 IonicContact CG-OE1 3.32Å; H235-E404 PolarHBondContact N-OE2 3.05Å; H235-E404 IonicContact ND1-OE1 3.09Å; H235-E404 PolarHBondContact ND1-OE1 3.22Å; H235-E404 IonicContact ND1-OE2 3.84Å
236	N	98.8	Very high	98.6	Very high	25 Å²	25	27.2 Å²	27.2	13%	0.134	13%	0.134	C	C	.	.	S	Bend	trans	-134.1	-177.5	-176.4	63.1	49.5	0	0	0	111.2	N232 P233 Y234 I238 H239 A240	N232-N236 PolarHBondContact O-ND2 3.17Å; P233-N236 PolarHBondContact O-ND2 2.93Å; P233-N236 VanDerWaalsContact O-ND2 3.12Å; Y234-N236 PolarHBondContact O-N 2.75Å; Y234-N236 PolarHBondContact O-ND2 2.91Å; N236-I238 PolarHBondContact O-N 2.7Å; N236-I238 VanDerWaalsContact O-N 3.14Å; N236-I238 VanDerWaalsContact OD1-CB 3.28Å; N236-I238 WeakPolarHBondContact OD1-CB 3.36Å; N236-I238 PolarHBondContact OD1-N 3.36Å; N236-H239 WeakPolarHBondContact O-CB 3.38Å; N236-H239 PolarHBondContact O-N 3.35Å; N236-H239 PolarHBondContact OD1-N 3.02Å; N236-A240 PolarHBondContact O-N 3.19Å; N236-A240 VanDerWaalsContact O-N 3.16Å
237	L	98.6	Very high	98.6	Very high	12 Å²	12	27 Å²	27	6%	0.063	13%	0.132	C	C	.	.	H	α-helix	trans	-60.2	-28	-175.4	74.6	89.6	0	0	0	113.7	N184 A191 L192 E224 Y227 A241	N184-L237 WeakPolarHBondContact OD1-CD1 3.49Å; A191-L237 HydrophobicContact CB-CD1 4.1Å; L192-L237 HydrophobicContact CB-CB 4.32Å; L192-L237 HydrophobicContact CB-CD1 4.45Å; E224-L237 HydrophobicContact CB-CD2 4.15Å; E224-L237 HydrophobicContact CG-CB 4.15Å; E224-L237 HydrophobicContact CG-CD2 4.17Å; Y227-L237 HydrophobicContact CG-CB 4.31Å; L237-A241 WeakPolarHBondContact O-CB 3.28Å; L237-A241 PolarHBondContact O-N 2.61Å
238	I	98.9	Very high	98.5	Very high	23 Å²	23	27 Å²	27	12%	0.118	13%	0.132	C	C	.	.	H	α-helix	trans	-70.5	-39.8	179.5	-50.5	177.2	0	0	0	109.2	V180 F181 N184 N236 A241 D242 W397	V180-I238 HydrophobicContact CB-CG2 4.46Å; V180-I238 HydrophobicContact CG1-CG2 3.89Å; V180-I238 HydrophobicContact CG2-CG2 3.91Å; F181-I238 HydrophobicContact CD1-CD1 4.27Å; F181-I238 HydrophobicContact CD1-CG2 3.8Å; F181-I238 HydrophobicContact CE1-CD1 4.49Å; F181-I238 HydrophobicContact CE1-CG2 3.87Å; F181-I238 HydrophobicContact CG-CG2 4.5Å; N184-I238 HydrophobicContact CB-CD1 4.11Å; N184-I238 HydrophobicContact CB-CG1 4.14Å; N236-I238 PolarHBondContact O-N 2.7Å; N236-I238 VanDerWaalsContact O-N 3.14Å; N236-I238 VanDerWaalsContact OD1-CB 3.28Å; N236-I238 WeakPolarHBondContact OD1-CB 3.36Å; N236-I238 PolarHBondContact OD1-N 3.36Å; I238-A241 PolarHBondContact O-N 3.44Å; I238-D242 PolarHBondContact O-N 3.31Å; I238-W397 HydrophobicContact CB-CH2 3.98Å; I238-W397 HydrophobicContact CG2-CH2 3.78Å; I238-W397 HydrophobicContact CG2-CZ2 4Å
239	H	98.9	Very high	98.4	Very high	2 Å²	2	25.1 Å²	25.1	1%	0.009	12%	0.116	C	C	.	.	H	α-helix	trans	-65.3	-47.8	176.8	173.4	69.3	0	0	0	110.3	Y234 N236 A241 D242 V243 H275 D276 D383 W397	Y234-H239 AromaticContact CE1-CE1 3.59Å; Y234-H239 AromaticContact CE1-ND1 3.59Å; Y234-H239 AromaticContact CZ-CE1 3.74Å; Y234-H239 AromaticContact CZ-ND1 3.61Å; Y234-H239 WeakPolarHBondContact O-CB 3.23Å; Y234-H239 PolarHBondContact OH-CE1 3.03Å; N236-H239 WeakPolarHBondContact O-CB 3.38Å; N236-H239 PolarHBondContact O-N 3.35Å; N236-H239 PolarHBondContact OD1-N 3.02Å; H239-A241 VanDerWaalsContact C-N 3.25Å; H239-A241 PolarHBondContact O-N 2.95Å; H239-D242 WeakPolarHBondContact O-CB 3.44Å; H239-D242 PolarHBondContact O-N 3.3Å; H239-V243 WeakPolarHBondContact O-CG2 3.24Å; H239-V243 PolarHBondContact O-N 2.96Å; H239-H275 AromaticContact CD2-CE1 3.87Å; H239-H275 AromaticContact CD2-NE2 3.82Å; H239-H275 AromaticContact NE2-CE1 3.68Å; H239-H275 AromaticContact NE2-NE2 3.3Å; H239-H275 PolarHBondContact NE2-NE2 3.45Å; H239-D276 IonicContact CD2-OD2 3.41Å; H239-D276 PolarHBondContact CD2-OD2 3.46Å; H239-D276 IonicContact NE2-OD2 3.67Å; H239-D276 PolarHBondContact NE2-OD2 2.88Å; H239-D383 IonicContact CE1-OD1 2.61Å; H239-D383 PolarHBondContact CE1-OD1 3.14Å; H239-D383 IonicContact NE2-OD1 3.57Å; H239-D383 PolarHBondContact NE2-OD1 2.99Å; H239-W397 VanDerWaalsContact CA-CH2 3.48Å; H239-W397 HydrophobicContact CB-CH2 3.76Å; H239-W397 HydrophobicContact CB-CZ3 3.95Å
240	A	98.9	Very high	98.4	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-55.8	-40.1	173.8	0	0	0	0	0	112.6	L192 Y227 N236 T244	L192-A240 HydrophobicContact CD1-CB 4.09Å; L192-A240 HydrophobicContact CD2-CB 4Å; Y227-A240 HydrophobicContact CE1-CB 3.89Å; Y227-A240 HydrophobicContact CE2-CB 3.81Å; Y227-A240 VanDerWaalsContact CZ-CB 3.45Å; Y227-A240 WeakPolarHBondContact OH-CB 3.18Å; N236-A240 PolarHBondContact O-N 3.19Å; N236-A240 VanDerWaalsContact O-N 3.16Å; A240-T244 VanDerWaalsContact O-CB 3.32Å; A240-T244 WeakPolarHBondContact O-CB 3.41Å; A240-T244 PolarHBondContact O-N 3.05Å; A240-T244 PolarHBondContact O-OG1 2.78Å
241	A	98.9	Very high	98.1	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-66	-39.9	175.7	0	0	0	0	0	112.7	V180 A191 L192 I195 L237 I238 H239 Q245	V180-A241 HydrophobicContact CG2-CB 3.77Å; A191-A241 HydrophobicContact CB-CB 3.9Å; L192-A241 HydrophobicContact CB-CB 4.23Å; L192-A241 HydrophobicContact CD1-CB 4.38Å; I195-A241 HydrophobicContact CG1-CB 4.35Å; L237-A241 WeakPolarHBondContact O-CB 3.28Å; L237-A241 PolarHBondContact O-N 2.61Å; I238-A241 PolarHBondContact O-N 3.44Å; H239-A241 VanDerWaalsContact C-N 3.25Å; H239-A241 PolarHBondContact O-N 2.95Å; A241-Q245 WeakPolarHBondContact O-CB 3.39Å; A241-Q245 PolarHBondContact O-N 2.96Å
242	D	98.9	Very high	97.7	Very high	4 Å²	4	9.2 Å²	9.2	2%	0.021	5%	0.047	C	C	.	.	H	α-helix	trans	-65.1	-46.6	176.7	-167.4	16.6	0	0	0	111.1	V180 I238 H239 T244 Q245 T246 K389 W397	V180-D242 HydrophobicContact CB-CB 4.3Å; V180-D242 HydrophobicContact CG1-CB 4Å; V180-D242 HydrophobicContact CG2-CB 4.22Å; I238-D242 PolarHBondContact O-N 3.31Å; H239-D242 WeakPolarHBondContact O-CB 3.44Å; H239-D242 PolarHBondContact O-N 3.3Å; D242-T244 PolarHBondContact O-N 3.38Å; D242-Q245 PolarHBondContact O-N 3.32Å; D242-T246 VanDerWaalsContact O-CB 3.25Å; D242-T246 WeakPolarHBondContact O-CB 3.47Å; D242-T246 PolarHBondContact O-N 2.87Å; D242-T246 PolarHBondContact O-OG1 3.3Å; D242-T246 PolarHBondContact OD1-OG1 2.74Å; D242-K389 VanDerWaalsContact OD1-CE 3.24Å; D242-K389 WeakPolarHBondContact OD1-CE 3.3Å; D242-K389 IonicContact OD1-NZ 3.61Å; D242-K389 PolarHBondContact OD1-NZ 2.93Å; D242-K389 VanDerWaalsContact OD2-CE 3.3Å; D242-K389 WeakPolarHBondContact OD2-CE 3.31Å; D242-K389 IonicContact OD2-NZ 3.99Å; D242-W397 HydrophobicContact CB-CZ2 4.02Å; D242-W397 PolarHBondContact OD2-NE1 3.44Å
243	V	98.9	Very high	97.1	Very high	1 Å²	1	12.7 Å²	12.7	1%	0.006	6%	0.061	C	C	.	.	H	α-helix	trans	-61.6	-45.7	177.4	179.2	0	0	0	0	110.3	H239 Q245 T246 V247 A272 L379 A382 D383	H239-V243 WeakPolarHBondContact O-CG2 3.24Å; H239-V243 PolarHBondContact O-N 2.96Å; V243-Q245 PolarHBondContact O-N 3.03Å; V243-T246 PolarHBondContact O-N 3.16Å; V243-V247 WeakPolarHBondContact O-CB 3.4Å; V243-V247 WeakPolarHBondContact O-CG2 3.44Å; V243-V247 PolarHBondContact O-N 3.05Å; V243-A272 HydrophobicContact CG1-CB 4.23Å; V243-L379 HydrophobicContact CG1-CD1 3.7Å; V243-A382 HydrophobicContact CG1-CB 4.1Å; V243-D383 HydrophobicContact CG2-CB 4.47Å
244	T	98.9	Very high	96.6	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-61.2	-43.6	177.8	-54.4	0	0	0	0	112.1	I195 L199 A240 D242 H248 I269 A272 A273	I195-T244 HydrophobicContact CG2-CG2 3.87Å; L199-T244 HydrophobicContact CD1-CG2 3.82Å; A240-T244 VanDerWaalsContact O-CB 3.32Å; A240-T244 WeakPolarHBondContact O-CB 3.41Å; A240-T244 PolarHBondContact O-N 3.05Å; A240-T244 PolarHBondContact O-OG1 2.78Å; D242-T244 PolarHBondContact O-N 3.38Å; T244-H248 PolarHBondContact O-N 2.64Å; T244-H248 VanDerWaalsContact O-N 3.12Å; T244-I269 HydrophobicContact CG2-CG2 4Å; T244-A272 HydrophobicContact CG2-CB 4.44Å; T244-A273 WeakPolarHBondContact OG1-CA 3.31Å; T244-A273 PolarHBondContact OG1-N 3.24Å
245	Q	98.8	Very high	96	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-69.2	-36.8	176.4	-176	-82.7	-27.6	0	0	112.2	V173 K175 F178 I195 A241 D242 V243 H248 Y249	V173-Q245 HydrophobicContact CG2-CG 3.97Å; V173-Q245 PolarHBondContact O-NE2 3.33Å; K175-Q245 PolarHBondContact O-NE2 3.44Å; F178-Q245 HydrophobicContact CB-CG 4.26Å; F178-Q245 HydrophobicContact CD1-CB 4.45Å; F178-Q245 HydrophobicContact CD1-CG 3.75Å; F178-Q245 HydrophobicContact CE1-CG 4.35Å; F178-Q245 HydrophobicContact CG-CG 4.09Å; I195-Q245 HydrophobicContact CD1-CB 4.25Å; I195-Q245 HydrophobicContact CD1-CG 4.34Å; I195-Q245 HydrophobicContact CG2-CB 4.29Å; A241-Q245 WeakPolarHBondContact O-CB 3.39Å; A241-Q245 PolarHBondContact O-N 2.96Å; D242-Q245 PolarHBondContact O-N 3.32Å; V243-Q245 PolarHBondContact O-N 3.03Å; Q245-H248 WeakPolarHBondContact O-CB 3.43Å; Q245-H248 PolarHBondContact O-N 2.92Å; Q245-Y249 PolarHBondContact O-N 2.95Å
246	T	98.8	Very high	95.6	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-65.4	-43.7	177.8	-59.7	0	0	0	0	110.9	W176 D242 V243 H248 Y249 L250 A382 K389	W176-T246 HydrophobicContact CH2-CG2 4.02Å; W176-T246 HydrophobicContact CZ3-CG2 3.77Å; D242-T246 VanDerWaalsContact O-CB 3.25Å; D242-T246 WeakPolarHBondContact O-CB 3.47Å; D242-T246 PolarHBondContact O-N 2.87Å; D242-T246 PolarHBondContact O-OG1 3.3Å; D242-T246 PolarHBondContact OD1-OG1 2.74Å; V243-T246 PolarHBondContact O-N 3.16Å; T246-H248 VanDerWaalsContact C-N 3.33Å; T246-H248 PolarHBondContact O-N 3.45Å; T246-Y249 WeakPolarHBondContact O-CB 3.36Å; T246-Y249 PolarHBondContact O-N 3.3Å; T246-L250 HydrophobicContact CG2-CD1 4.33Å; T246-L250 HydrophobicContact CG2-CG 4.5Å; T246-L250 WeakPolarHBondContact O-CG 3.41Å; T246-L250 PolarHBondContact O-N 2.69Å; T246-A382 HydrophobicContact CG2-CB 3.77Å; T246-K389 PolarHBondContact OG1-NZ 3.31Å
247	V	98.7	Very high	95.1	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-55.1	-48.9	171	162.5	0	0	0	0	110.5	V243 Y249 L250 L251 M268 A272 L378 L379 A382	V243-V247 WeakPolarHBondContact O-CB 3.4Å; V243-V247 WeakPolarHBondContact O-CG2 3.44Å; V243-V247 PolarHBondContact O-N 3.05Å; V247-Y249 VanDerWaalsContact C-N 3.34Å; V247-Y249 PolarHBondContact O-N 2.98Å; V247-L250 PolarHBondContact O-N 2.8Å; V247-L251 HydrophobicContact CG1-CD1 4.17Å; V247-L251 HydrophobicContact CG1-CG 4.4Å; V247-L251 VanDerWaalsContact O-CG 3.3Å; V247-L251 WeakPolarHBondContact O-CG 3.28Å; V247-L251 PolarHBondContact O-N 3.07Å; V247-M268 HydrophobicContact CB-SD 4.47Å; V247-M268 HydrophobicContact CG1-CG 3.28Å; V247-M268 HydrophobicContact CG1-SD 3.51Å; V247-M268 VanDerWaalsContact CG1-SD 3.51Å; V247-M268 HydrophobicContact CG2-SD 4.05Å; V247-A272 HydrophobicContact CB-CB 4.46Å; V247-A272 HydrophobicContact CG2-CB 4.04Å; V247-L378 HydrophobicContact CB-CD2 4.34Å; V247-L378 HydrophobicContact CG1-CD2 4.16Å; V247-L378 HydrophobicContact CG2-CD2 3.96Å; V247-L379 HydrophobicContact CG2-CD1 4Å; V247-A382 HydrophobicContact CG2-CB 3.62Å
248	H	96.9	Very high	94.5	Very high	2 Å²	2	11.3 Å²	11.3	1%	0.009	5%	0.054	C	C	.	.	H	α-helix	trans	-55.6	-47.4	175.4	163.8	66	0	0	0	112.5	D174 L199 R202 Y203 T244 Q245 T246 L250 L251 L252	D174-H248 IonicContact OD1-CE1 3.92Å; D174-H248 IonicContact OD1-NE2 2.69Å; D174-H248 PolarHBondContact OD1-NE2 3.27Å; D174-H248 VanDerWaalsContact OD1-NE2 3.09Å; L199-H248 HydrophobicContact CD1-CB 3.77Å; L199-H248 HydrophobicContact CD2-CB 3.75Å; L199-H248 WeakPolarHBondContact CD2-ND1 3.48Å; L199-H248 HydrophobicContact CG-CB 4.42Å; R202-H248 PolarHBondContact NH1-CE1 2.71Å; R202-H248 PolarHBondContact NH1-NE2 3.43Å; Y203-H248 AromaticContact CE2-ND1 3.43Å; Y203-H248 WeakPolarHBondContact CE2-ND1 3.26Å; Y203-H248 AromaticContact CZ-ND1 3.4Å; Y203-H248 PolarHBondContact OH-ND1 3.11Å; T244-H248 PolarHBondContact O-N 2.64Å; T244-H248 VanDerWaalsContact O-N 3.12Å; Q245-H248 WeakPolarHBondContact O-CB 3.43Å; Q245-H248 PolarHBondContact O-N 2.92Å; T246-H248 VanDerWaalsContact C-N 3.33Å; T246-H248 PolarHBondContact O-N 3.45Å; H248-L250 PolarHBondContact O-N 3.24Å; H248-L251 PolarHBondContact O-N 3.17Å; H248-L252 WeakPolarHBondContact O-CB 3.47Å; H248-L252 PolarHBondContact O-N 3.23Å
249	Y	96.3	Very high	94.1	Very high	21 Å²	21	12.9 Å²	12.9	8%	0.082	6%	0.058	C	C	.	.	H	α-helix	trans	-58.6	-48.3	177.2	179.6	-82.3	0	0	0	111.5	D174 K175 W176 Q245 T246 V247 L251 L252 K253 F513	D174-Y249 WeakPolarHBondContact O-CD2 3.42Å; D174-Y249 WeakPolarHBondContact O-CE2 3.41Å; K175-Y249 VanDerWaalsContact C-CD2 3.42Å; W176-Y249 HydrophobicContact CB-CD2 4.32Å; W176-Y249 HydrophobicContact CB-CE1 4.12Å; W176-Y249 HydrophobicContact CB-CE2 3.74Å; W176-Y249 HydrophobicContact CD2-CD1 4.27Å; W176-Y249 HydrophobicContact CD2-CE1 4.02Å; W176-Y249 AromaticContact CE3-CD1 3.19Å; W176-Y249 HydrophobicContact CE3-CD1 3.19Å; W176-Y249 HydrophobicContact CE3-CD2 4.47Å; W176-Y249 AromaticContact CE3-CE1 3.32Å; W176-Y249 HydrophobicContact CE3-CE1 3.32Å; W176-Y249 AromaticContact CE3-CG 3.8Å; W176-Y249 HydrophobicContact CE3-CG 3.8Å; W176-Y249 HydrophobicContact CG-CE1 4.39Å; W176-Y249 AromaticContact CZ3-CD1 3.65Å; W176-Y249 HydrophobicContact CZ3-CD1 3.65Å; W176-Y249 HydrophobicContact CZ3-CE1 4.01Å; W176-Y249 HydrophobicContact CZ3-CG 4.43Å; Q245-Y249 PolarHBondContact O-N 2.95Å; T246-Y249 WeakPolarHBondContact O-CB 3.36Å; T246-Y249 PolarHBondContact O-N 3.3Å; V247-Y249 VanDerWaalsContact C-N 3.34Å; V247-Y249 PolarHBondContact O-N 2.98Å; Y249-L251 PolarHBondContact O-N 3.3Å; Y249-L252 PolarHBondContact O-N 3.12Å; Y249-K253 HydrophobicContact CD1-CB 4.3Å; Y249-K253 HydrophobicContact CD1-CG 4.07Å; Y249-K253 HydrophobicContact CD2-CG 3.85Å; Y249-K253 HydrophobicContact CE1-CB 3.97Å; Y249-K253 HydrophobicContact CE1-CG 3.79Å; Y249-K253 HydrophobicContact CE2-CD 4.31Å; Y249-K253 HydrophobicContact CE2-CG 3.52Å; Y249-K253 HydrophobicContact CG-CG 4.12Å; Y249-K253 WeakPolarHBondContact O-CB 3.5Å; Y249-K253 PolarHBondContact O-N 3.39Å; Y249-F513 AromaticContact CE1-CD2 3.97Å; Y249-F513 HydrophobicContact CE1-CD2 3.97Å; Y249-F513 HydrophobicContact CE1-CE2 4.31Å
250	L	96	Very high	93.8	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-59.5	-47.2	179.4	-70	175.4	0	0	0	110.5	W176 T246 V247 H248 L252 T254 L378 A382 L449 M453 F513	W176-L250 HydrophobicContact CH2-CD2 4.18Å; W176-L250 HydrophobicContact CZ3-CD2 3.83Å; W176-L250 HydrophobicContact CZ3-CG 4.2Å; T246-L250 HydrophobicContact CG2-CD1 4.33Å; T246-L250 HydrophobicContact CG2-CG 4.5Å; T246-L250 WeakPolarHBondContact O-CG 3.41Å; T246-L250 PolarHBondContact O-N 2.69Å; V247-L250 PolarHBondContact O-N 2.8Å; H248-L250 PolarHBondContact O-N 3.24Å; L250-L252 PolarHBondContact O-N 3.45Å; L250-T254 WeakPolarHBondContact O-CB 3.25Å; L250-T254 WeakPolarHBondContact O-CG2 3.48Å; L250-T254 PolarHBondContact O-N 2.88Å; L250-T254 PolarHBondContact O-OG1 3.22Å; L250-L378 HydrophobicContact CB-CD1 4.42Å; L250-L378 HydrophobicContact CB-CD2 4.24Å; L250-L378 HydrophobicContact CB-CG 4.35Å; L250-L378 HydrophobicContact CD1-CD2 3.98Å; L250-L378 HydrophobicContact CD1-CG 4.07Å; L250-A382 HydrophobicContact CD1-CB 4.25Å; L250-L449 HydrophobicContact CD1-CD2 4.2Å; L250-L449 HydrophobicContact CD2-CD2 4.19Å; L250-M453 HydrophobicContact CB-CE 4.12Å; L250-M453 HydrophobicContact CD2-CE 4.31Å; L250-F513 HydrophobicContact CD2-CE1 4.3Å; L250-F513 HydrophobicContact CD2-CE2 3.52Å; L250-F513 HydrophobicContact CD2-CZ 3.37Å
251	L	92.6	Very high	93.5	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-58.3	-46.1	177.2	-68.3	-177.6	0	0	0	112.4	V247 H248 Y249 M256 V257 L260 M268 L378	V247-L251 HydrophobicContact CG1-CD1 4.17Å; V247-L251 HydrophobicContact CG1-CG 4.4Å; V247-L251 VanDerWaalsContact O-CG 3.3Å; V247-L251 WeakPolarHBondContact O-CG 3.28Å; V247-L251 PolarHBondContact O-N 3.07Å; H248-L251 PolarHBondContact O-N 3.17Å; Y249-L251 PolarHBondContact O-N 3.3Å; L251-M256 HydrophobicContact CD2-CB 4.03Å; L251-M256 PolarHBondContact O-N 3.14Å; L251-V257 HydrophobicContact CB-CB 4.44Å; L251-V257 WeakPolarHBondContact O-CB 3.48Å; L251-V257 PolarHBondContact O-N 3.43Å; L251-L260 HydrophobicContact CD2-CD1 3.52Å; L251-M268 HydrophobicContact CD1-CG 4.07Å; L251-L378 HydrophobicContact CD2-CD1 3.92Å
252	L	88.8	Confident	93.2	Very high	30 Å²	30	19.4 Å²	19.4	16%	0.157	9%	0.093	C	C	.	.	H	α-helix	trans	-73.7	-51.8	-174.5	-174.7	67.2	0	0	0	112.4	D174 H248 Y249 L250	D174-L252 HydrophobicContact CB-CD2 4.4Å; D174-L252 VanDerWaalsContact OD1-CD2 3.31Å; D174-L252 WeakPolarHBondContact OD1-CD2 3.38Å; H248-L252 WeakPolarHBondContact O-CB 3.47Å; H248-L252 PolarHBondContact O-N 3.23Å; Y249-L252 PolarHBondContact O-N 3.12Å; L250-L252 PolarHBondContact O-N 3.45Å
253	K	86.6	Confident	93.1	Very high	84 Å²	84	19.6 Å²	19.6	37%	0.365	9%	0.094	S	C	.	.	H	α-helix	trans	-77.1	-28.9	-169.9	-67	-60.6	-172.9	-175.8	0	114	D174 Y249	D174-K253 WeakPolarHBondContact O-CE 3.28Å; Y249-K253 HydrophobicContact CD1-CB 4.3Å; Y249-K253 HydrophobicContact CD1-CG 4.07Å; Y249-K253 HydrophobicContact CD2-CG 3.85Å; Y249-K253 HydrophobicContact CE1-CB 3.97Å; Y249-K253 HydrophobicContact CE1-CG 3.79Å; Y249-K253 HydrophobicContact CE2-CD 4.31Å; Y249-K253 HydrophobicContact CE2-CG 3.52Å; Y249-K253 HydrophobicContact CG-CG 4.12Å; Y249-K253 WeakPolarHBondContact O-CB 3.5Å; Y249-K253 PolarHBondContact O-N 3.39Å
254	T	87.8	Confident	93	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.097	C	C	.	.	S	Bend	trans	-91.2	-8.3	-179.3	71.8	0	0	0	0	112.3	L250 M256 M453 V457 V508 F513	L250-T254 WeakPolarHBondContact O-CB 3.25Å; L250-T254 WeakPolarHBondContact O-CG2 3.48Å; L250-T254 PolarHBondContact O-N 2.88Å; L250-T254 PolarHBondContact O-OG1 3.22Å; T254-M256 VanDerWaalsContact C-N 3.27Å; T254-M256 PolarHBondContact O-N 3.08Å; T254-M256 VanDerWaalsContact OG1-CG 3.23Å; T254-M256 WeakPolarHBondContact OG1-CG 3.26Å; T254-M453 HydrophobicContact CG2-CE 4.37Å; T254-M453 HydrophobicContact CG2-SD 3.57Å; T254-M453 VanDerWaalsContact CG2-SD 3.57Å; T254-V457 WeakPolarHBondContact O-CG2 3.42Å; T254-V508 VanDerWaalsContact O-CG1 3.26Å; T254-V508 WeakPolarHBondContact O-CG1 3.26Å; T254-F513 HydrophobicContact CG2-CD1 3.87Å; T254-F513 HydrophobicContact CG2-CE1 4.22Å; T254-F513 HydrophobicContact CG2-CG 4.06Å
255	G	86.1	Confident	92.9	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.1	C	C	.	.	S	Bend	trans	81.5	1.7	-179.2	0	0	0	0	0	114.4	V257 H258	G255-V257 PolarHBondContact O-N 3.39Å; G255-V257 VanDerWaalsContact O-N 3.13Å; G255-H258 WeakPolarHBondContact O-CB 3.32Å; G255-H258 PolarHBondContact O-CD2 2.9Å; G255-H258 PolarHBondContact O-N 3.26Å
256	M	89.9	Confident	92.9	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.1	C	C	.	.	G	3₁₀ helix	trans	-55.4	-29.8	176.3	-74.4	-67.2	-68.4	0	0	112.6	L251 T254 H258 W259 L260 M453 I456 V457	L251-M256 HydrophobicContact CD2-CB 4.03Å; L251-M256 PolarHBondContact O-N 3.14Å; T254-M256 VanDerWaalsContact C-N 3.27Å; T254-M256 PolarHBondContact O-N 3.08Å; T254-M256 VanDerWaalsContact OG1-CG 3.23Å; T254-M256 WeakPolarHBondContact OG1-CG 3.26Å; M256-H258 PolarHBondContact O-N 3Å; M256-W259 HydrophobicContact CE-CE3 3.59Å; M256-W259 HydrophobicContact CE-CZ3 3.78Å; M256-W259 WeakPolarHBondContact O-CB 3.4Å; M256-W259 PolarHBondContact O-N 3.02Å; M256-L260 WeakPolarHBondContact O-CG 3.41Å; M256-L260 PolarHBondContact O-N 3.22Å; M256-M453 HydrophobicContact CG-CB 4.46Å; M256-M453 HydrophobicContact CG-CE 4.24Å; M256-M453 HydrophobicContact CG-CG 3.83Å; M256-M453 HydrophobicContact SD-CB 4.4Å; M256-M453 HydrophobicContact SD-CG 4Å; M256-I456 HydrophobicContact CE-CD1 3.84Å; M256-I456 HydrophobicContact CE-CG2 4.43Å; M256-I456 HydrophobicContact SD-CB 4.09Å; M256-I456 HydrophobicContact SD-CD1 4.06Å; M256-I456 HydrophobicContact SD-CG2 3.8Å; M256-V457 HydrophobicContact CG-CG2 4.31Å; M256-V457 HydrophobicContact SD-CG2 3.91Å
257	V	88.8	Confident	92.9	Very high	22 Å²	22	20.8 Å²	20.8	13%	0.133	10%	0.1	C	C	.	.	G	3₁₀ helix	trans	-53	-27.2	172.8	68.8	0	0	0	0	113.4	Y203 L251 G255 I265	Y203-V257 HydrophobicContact CD1-CG2 4.49Å; Y203-V257 HydrophobicContact CE1-CG2 3.84Å; L251-V257 HydrophobicContact CB-CB 4.44Å; L251-V257 WeakPolarHBondContact O-CB 3.48Å; L251-V257 PolarHBondContact O-N 3.43Å; G255-V257 PolarHBondContact O-N 3.39Å; G255-V257 VanDerWaalsContact O-N 3.13Å; V257-I265 HydrophobicContact CG2-CD1 3.83Å
258	H	85.8	Confident	92.9	Very high	49 Å²	49	20.8 Å²	20.8	23%	0.227	10%	0.1	C	C	.	.	G	3₁₀ helix	trans	-82.2	-15.1	179.3	-59	-60.3	0	0	0	113.9	G255 M256 L505	G255-H258 WeakPolarHBondContact O-CB 3.32Å; G255-H258 PolarHBondContact O-CD2 2.9Å; G255-H258 PolarHBondContact O-N 3.26Å; M256-H258 PolarHBondContact O-N 3Å; H258-L505 HydrophobicContact CB-CD2 4.1Å; H258-L505 HydrophobicContact CB-CG 4.37Å; H258-L505 VanDerWaalsContact CD2-CD2 3.45Å; H258-L505 WeakPolarHBondContact CD2-CD2 3.44Å
259	W	91.8	Very high	93	Very high	56 Å²	56	20.7 Å²	20.7	21%	0.212	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-19.8	177	-176.6	61.8	0	0	0	112.8	M256 K371 A374 I456 L460	M256-W259 HydrophobicContact CE-CE3 3.59Å; M256-W259 HydrophobicContact CE-CZ3 3.78Å; M256-W259 WeakPolarHBondContact O-CB 3.4Å; M256-W259 PolarHBondContact O-N 3.02Å; W259-K371 HydrophobicContact CE3-CG 4.48Å; W259-K371 HydrophobicContact CH2-CB 4.09Å; W259-K371 HydrophobicContact CH2-CD 4.45Å; W259-K371 HydrophobicContact CH2-CG 3.29Å; W259-K371 HydrophobicContact CZ2-CD 4.37Å; W259-K371 HydrophobicContact CZ2-CG 3.44Å; W259-K371 VanDerWaalsContact CZ2-CG 3.44Å; W259-K371 HydrophobicContact CZ3-CG 3.82Å; W259-K371 PolarHBondContact O-NZ 3.32Å; W259-A374 HydrophobicContact CH2-CB 3.97Å; W259-A374 HydrophobicContact CZ3-CB 3.96Å; W259-I456 HydrophobicContact CB-CG2 3.88Å; W259-I456 HydrophobicContact CD2-CG2 3.46Å; W259-I456 VanDerWaalsContact CD2-CG2 3.46Å; W259-I456 HydrophobicContact CE3-CD1 4.25Å; W259-I456 HydrophobicContact CE3-CG2 3.92Å; W259-I456 HydrophobicContact CG-CG2 3.44Å; W259-I456 VanDerWaalsContact CG-CG2 3.44Å; W259-I456 HydrophobicContact CH2-CD1 3.81Å; W259-I456 HydrophobicContact CZ2-CD1 4.25Å; W259-I456 HydrophobicContact CZ2-CG1 4.48Å; W259-I456 HydrophobicContact CZ2-CG2 4.42Å; W259-I456 HydrophobicContact CZ3-CD1 3.86Å; W259-L460 HydrophobicContact CB-CD1 3.92Å
260	L	91.3	Very high	93.1	Very high	18 Å²	18	19.7 Å²	19.7	9%	0.094	10%	0.095	C	C	.	.	S	Bend	trans	-95.5	149.2	-173.6	-59.2	179.7	0	0	0	112.9	L251 M256 E264 I265 L375	L251-L260 HydrophobicContact CD2-CD1 3.52Å; M256-L260 WeakPolarHBondContact O-CG 3.41Å; M256-L260 PolarHBondContact O-N 3.22Å; L260-E264 WeakPolarHBondContact CA-OE2 3.48Å; L260-E264 HydrophobicContact CB-CB 4.19Å; L260-E264 HydrophobicContact CD2-CB 4.3Å; L260-E264 WeakPolarHBondContact CD2-OE2 3.37Å; L260-I265 HydrophobicContact CB-CD1 4.31Å; L260-I265 HydrophobicContact CB-CG1 3.79Å; L260-I265 HydrophobicContact CD1-CG1 4.2Å; L260-L375 HydrophobicContact CD1-CD2 3.8Å; L260-L375 HydrophobicContact CD2-CD2 3.75Å; L260-L375 HydrophobicContact CD2-CG 4.46Å; L260-L375 HydrophobicContact CG-CD2 4.44Å
261	T	93.6	Very high	93.3	Very high	59 Å²	59	19.7 Å²	19.7	36%	0.362	10%	0.095	S	C	.	.			trans	-77.8	162.7	166.6	73.8	0	0	0	0	110.4	L263 E264 I265	T261-L263 PolarHBondContact O-N 3.05Å; T261-L263 PolarHBondContact OG1-N 3.3Å; T261-E264 PolarHBondContact N-OE2 3.13Å; T261-E264 PolarHBondContact O-N 2.92Å; T261-E264 VanDerWaalsContact OG1-CG 3.29Å; T261-E264 WeakPolarHBondContact OG1-CG 3.36Å; T261-E264 PolarHBondContact OG1-N 2.95Å; T261-E264 VanDerWaalsContact OG1-N 3.14Å; T261-I265 WeakPolarHBondContact O-CG1 3.34Å; T261-I265 PolarHBondContact O-N 2.94Å
262	E	91.8	Very high	93.6	Very high	61 Å²	61	19.7 Å²	19.7	29%	0.285	10%	0.095	S	C	.	.	H	α-helix	trans	-59.9	-32.9	174.9	-61.6	162.8	130.3	0	0	111.9	L205 R208 F209 F266	L205-E262 HydrophobicContact CD2-CB 4.35Å; L205-E262 WeakPolarHBondContact CD2-O 3.43Å; R208-E262 WeakPolarHBondContact CD-OE2 3.39Å; R208-E262 HydrophobicContact CG-CB 4.28Å; R208-E262 IonicContact CZ-OE2 3.62Å; R208-E262 IonicContact NE-OE1 3.86Å; R208-E262 IonicContact NE-OE2 2.71Å; R208-E262 PolarHBondContact NE-OE2 2.91Å; R208-E262 IonicContact NH2-OE2 3.7Å; F209-E262 HydrophobicContact CE2-CB 4.19Å; F209-E262 HydrophobicContact CZ-CB 4.08Å; E262-F266 WeakPolarHBondContact O-CB 3.43Å; E262-F266 PolarHBondContact O-N 3.02Å
263	L	96.3	Very high	94	Very high	9 Å²	9	18.2 Å²	18.2	5%	0.047	9%	0.088	C	C	.	.	H	α-helix	trans	-70.9	-40.9	177.9	-172.6	71.1	0	0	0	111.2	F209 T261 F266 A267 L328 D332 E335 L336	F209-L263 HydrophobicContact CE1-CB 4.45Å; F209-L263 HydrophobicContact CE1-CD1 3.83Å; F209-L263 HydrophobicContact CZ-CB 3.98Å; F209-L263 HydrophobicContact CZ-CD1 3.92Å; T261-L263 PolarHBondContact O-N 3.05Å; T261-L263 PolarHBondContact OG1-N 3.3Å; L263-F266 PolarHBondContact O-N 3.35Å; L263-A267 WeakPolarHBondContact O-CB 3.48Å; L263-A267 PolarHBondContact O-N 3.42Å; L263-L328 HydrophobicContact CD1-CD2 4.49Å; L263-D332 HydrophobicContact CD1-CB 3.99Å; L263-D332 HydrophobicContact CD2-CB 3.98Å; L263-E335 HydrophobicContact CD2-CB 3.95Å; L263-E335 HydrophobicContact CD2-CG 3.95Å; L263-L336 HydrophobicContact CD1-CB 4.1Å; L263-L336 HydrophobicContact CD1-CD1 4Å; L263-L336 HydrophobicContact CG-CB 4.4Å
264	E	97.7	Very high	94.6	Very high	13 Å²	13	14.2 Å²	14.2	6%	0.061	7%	0.071	C	C	.	.	H	α-helix	trans	-66.9	-38.3	175.9	-69.9	161.7	-177.8	0	0	111.6	L260 T261 A267 M268 L339 K371	L260-E264 WeakPolarHBondContact CA-OE2 3.48Å; L260-E264 HydrophobicContact CB-CB 4.19Å; L260-E264 HydrophobicContact CD2-CB 4.3Å; L260-E264 WeakPolarHBondContact CD2-OE2 3.37Å; T261-E264 PolarHBondContact N-OE2 3.13Å; T261-E264 PolarHBondContact O-N 2.92Å; T261-E264 VanDerWaalsContact OG1-CG 3.29Å; T261-E264 WeakPolarHBondContact OG1-CG 3.36Å; T261-E264 PolarHBondContact OG1-N 2.95Å; T261-E264 VanDerWaalsContact OG1-N 3.14Å; E264-A267 PolarHBondContact O-N 3.48Å; E264-M268 VanDerWaalsContact O-CB 3.25Å; E264-M268 WeakPolarHBondContact O-CB 3.4Å; E264-M268 PolarHBondContact O-N 2.98Å; E264-L339 HydrophobicContact CG-CD1 3.92Å; E264-K371 WeakPolarHBondContact OE1-CD 3.32Å; E264-K371 IonicContact OE1-NZ 3.86Å; E264-K371 PolarHBondContact OE1-NZ 3.05Å; E264-K371 IonicContact OE2-NZ 3.44Å; E264-K371 PolarHBondContact OE2-NZ 2.94Å
265	I	97.3	Very high	95.2	Very high	12 Å²	12	14.2 Å²	14.2	6%	0.062	7%	0.071	C	C	.	.	H	α-helix	trans	-63.7	-43.4	172.6	-65.7	165.9	0	0	0	110.1	Y203 L205 V257 L260 T261 M268 I269	Y203-I265 HydrophobicContact CD1-CG2 4Å; Y203-I265 HydrophobicContact CD2-CG2 4.17Å; Y203-I265 HydrophobicContact CE1-CG2 4.26Å; Y203-I265 HydrophobicContact CE2-CG2 4.43Å; Y203-I265 HydrophobicContact CG-CG2 3.95Å; L205-I265 HydrophobicContact CD1-CG2 4.38Å; V257-I265 HydrophobicContact CG2-CD1 3.83Å; L260-I265 HydrophobicContact CB-CD1 4.31Å; L260-I265 HydrophobicContact CB-CG1 3.79Å; L260-I265 HydrophobicContact CD1-CG1 4.2Å; T261-I265 WeakPolarHBondContact O-CG1 3.34Å; T261-I265 PolarHBondContact O-N 2.94Å; I265-M268 PolarHBondContact O-N 3.13Å; I265-I269 HydrophobicContact CG2-CD1 3.86Å; I265-I269 WeakPolarHBondContact O-CG1 3.23Å; I265-I269 PolarHBondContact O-N 3.38Å
266	F	98.4	Very high	95.8	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-62.5	-47	176.1	-176.3	-158.6	0	0	0	111.6	L200 L205 F209 I211 E262 L263 M268 I269 F270 I324 L325 L336	L200-F266 HydrophobicContact CD2-CD2 3.86Å; L200-F266 HydrophobicContact CD2-CE2 3.92Å; L205-F266 HydrophobicContact CD1-CB 3.94Å; L205-F266 HydrophobicContact CD1-CD2 4.26Å; L205-F266 HydrophobicContact CD1-CG 4.36Å; L205-F266 HydrophobicContact CD2-CB 4.28Å; F209-F266 AromaticContact CD2-CD1 3.82Å; F209-F266 HydrophobicContact CD2-CD1 3.82Å; F209-F266 HydrophobicContact CD2-CE1 4.44Å; F209-F266 HydrophobicContact CD2-CG 4.42Å; F209-F266 HydrophobicContact CE2-CB 4.05Å; F209-F266 HydrophobicContact CE2-CD1 4.05Å; F209-F266 HydrophobicContact CE2-CG 4.43Å; F209-F266 HydrophobicContact CG-CD1 4.33Å; I211-F266 HydrophobicContact CD1-CE1 3.96Å; I211-F266 HydrophobicContact CD1-CE2 4.32Å; I211-F266 HydrophobicContact CD1-CZ 3.71Å; E262-F266 WeakPolarHBondContact O-CB 3.43Å; E262-F266 PolarHBondContact O-N 3.02Å; L263-F266 PolarHBondContact O-N 3.35Å; F266-M268 VanDerWaalsContact C-N 3.27Å; F266-M268 PolarHBondContact O-N 3.41Å; F266-I269 PolarHBondContact O-N 3.16Å; F266-F270 HydrophobicContact CD2-CB 4.46Å; F266-F270 HydrophobicContact CE2-CB 4.37Å; F266-F270 VanDerWaalsContact O-CB 3.27Å; F266-F270 WeakPolarHBondContact O-CB 3.43Å; F266-F270 PolarHBondContact O-N 3.46Å; F266-I324 HydrophobicContact CE2-CD1 4.23Å; F266-I324 HydrophobicContact CZ-CD1 4.05Å; F266-I324 HydrophobicContact CZ-CG1 4.37Å; F266-L325 HydrophobicContact CE1-CD2 3.6Å; F266-L325 HydrophobicContact CZ-CD2 3.56Å; F266-L336 HydrophobicContact CB-CD1 4.47Å; F266-L336 HydrophobicContact CD1-CD1 3.5Å; F266-L336 HydrophobicContact CE1-CD1 3.83Å; F266-L336 HydrophobicContact CG-CD1 4.01Å
267	A	98.8	Very high	96.2	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-57.1	-42.1	176.2	0	0	0	0	0	111.6	L263 E264 F270 A271 L336 L339 V340 M343	L263-A267 WeakPolarHBondContact O-CB 3.48Å; L263-A267 PolarHBondContact O-N 3.42Å; E264-A267 PolarHBondContact O-N 3.48Å; A267-F270 PolarHBondContact O-N 3Å; A267-A271 WeakPolarHBondContact O-CB 3.38Å; A267-A271 PolarHBondContact O-N 3.4Å; A267-L336 HydrophobicContact CB-CD1 4.48Å; A267-L336 HydrophobicContact CB-CG 4.04Å; A267-L339 HydrophobicContact CB-CB 4.05Å; A267-L339 HydrophobicContact CB-CD1 4.14Å; A267-V340 HydrophobicContact CB-CG2 4.09Å; A267-M343 HydrophobicContact CB-CE 4.04Å; A267-M343 WeakPolarHBondContact O-CE 3.49Å
268	M	98.6	Very high	96.7	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-65.8	-46.2	179.8	175.8	51	72.2	0	0	112.5	V247 L251 E264 I265 F266 A272 M343 L375 L378 L379	V247-M268 HydrophobicContact CB-SD 4.47Å; V247-M268 HydrophobicContact CG1-CG 3.28Å; V247-M268 HydrophobicContact CG1-SD 3.51Å; V247-M268 VanDerWaalsContact CG1-SD 3.51Å; V247-M268 HydrophobicContact CG2-SD 4.05Å; L251-M268 HydrophobicContact CD1-CG 4.07Å; E264-M268 VanDerWaalsContact O-CB 3.25Å; E264-M268 WeakPolarHBondContact O-CB 3.4Å; E264-M268 PolarHBondContact O-N 2.98Å; I265-M268 PolarHBondContact O-N 3.13Å; F266-M268 VanDerWaalsContact C-N 3.27Å; F266-M268 PolarHBondContact O-N 3.41Å; M268-A272 WeakPolarHBondContact O-CB 3.46Å; M268-A272 PolarHBondContact O-N 3.22Å; M268-M343 HydrophobicContact CE-SD 3.3Å; M268-M343 WeakPolarHBondContact CE-SD 3.36Å; M268-M343 HydrophobicContact SD-SD 4.02Å; M268-L375 HydrophobicContact CE-CB 3.49Å; M268-L375 VanDerWaalsContact CE-CB 3.49Å; M268-L375 HydrophobicContact CE-CD2 3.46Å; M268-L375 VanDerWaalsContact CE-CD2 3.46Å; M268-L375 HydrophobicContact CE-CG 4Å; M268-L375 VanDerWaalsContact CE-O 3.27Å; M268-L375 WeakPolarHBondContact CE-O 3.38Å; M268-L378 HydrophobicContact CE-CB 4.46Å; M268-L378 HydrophobicContact CE-CD2 4.21Å; M268-L378 HydrophobicContact SD-CD2 4.08Å; M268-L379 HydrophobicContact SD-CB 4.31Å
269	I	98.8	Very high	97.3	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-65.6	-41.7	176.1	-65.4	165.8	0	0	0	110.8	F196 L199 L200 Y203 L205 T244 I265 F266 A273	F196-I269 HydrophobicContact CD2-CG2 3.84Å; F196-I269 HydrophobicContact CE2-CG2 3.84Å; L199-I269 HydrophobicContact CB-CD1 4.21Å; L199-I269 HydrophobicContact CB-CG2 4.46Å; L200-I269 HydrophobicContact CD2-CG2 4.36Å; Y203-I269 HydrophobicContact CD2-CD1 3.48Å; Y203-I269 VanDerWaalsContact CD2-CD1 3.48Å; Y203-I269 HydrophobicContact CE2-CD1 3.74Å; Y203-I269 HydrophobicContact CG-CD1 4.4Å; L205-I269 HydrophobicContact CD1-CD1 3.87Å; T244-I269 HydrophobicContact CG2-CG2 4Å; I265-I269 HydrophobicContact CG2-CD1 3.86Å; I265-I269 WeakPolarHBondContact O-CG1 3.23Å; I265-I269 PolarHBondContact O-N 3.38Å; F266-I269 PolarHBondContact O-N 3.16Å; I269-A273 WeakPolarHBondContact O-CB 3.3Å; I269-A273 PolarHBondContact O-N 3.01Å; I269-A273 VanDerWaalsContact O-N 3.09Å
270	F	98.9	Very high	97.6	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-65	-47.3	178	-177.5	-99.8	0	0	0	111.8	F196 F219 F266 A267 A272 A273 V274 Y313 L316 I324 V340	F196-F270 HydrophobicContact CZ-CD2 4.3Å; F219-F270 HydrophobicContact CE1-CD2 4.37Å; F219-F270 AromaticContact CE1-CE2 3.85Å; F219-F270 HydrophobicContact CE1-CE2 3.85Å; F219-F270 HydrophobicContact CE2-CE2 4.31Å; F219-F270 HydrophobicContact CZ-CD2 4.39Å; F219-F270 AromaticContact CZ-CE2 3.48Å; F219-F270 HydrophobicContact CZ-CE2 3.48Å; F219-F270 VanDerWaalsContact CZ-CE2 3.48Å; F219-F270 HydrophobicContact CZ-CZ 4.16Å; F266-F270 HydrophobicContact CD2-CB 4.46Å; F266-F270 HydrophobicContact CE2-CB 4.37Å; F266-F270 VanDerWaalsContact O-CB 3.27Å; F266-F270 WeakPolarHBondContact O-CB 3.43Å; F266-F270 PolarHBondContact O-N 3.46Å; A267-F270 PolarHBondContact O-N 3Å; F270-A272 PolarHBondContact O-N 2.98Å; F270-A273 PolarHBondContact O-N 3.07Å; F270-V274 HydrophobicContact CD1-CG2 4.41Å; F270-V274 HydrophobicContact CD2-CG1 4.43Å; F270-V274 HydrophobicContact CE1-CG1 4.34Å; F270-V274 HydrophobicContact CE1-CG2 4.2Å; F270-V274 HydrophobicContact CE2-CG1 4.08Å; F270-V274 HydrophobicContact CZ-CG1 4.02Å; F270-V274 WeakPolarHBondContact O-CG1 3.27Å; F270-V274 WeakPolarHBondContact O-CG2 3.44Å; F270-V274 PolarHBondContact O-N 3.41Å; F270-V274 VanDerWaalsContact O-N 3.17Å; F270-Y313 HydrophobicContact CE1-CE2 4.31Å; F270-L316 HydrophobicContact CE2-CD1 4.08Å; F270-L316 HydrophobicContact CZ-CD1 3.66Å; F270-I324 HydrophobicContact CD2-CD1 3.91Å; F270-I324 HydrophobicContact CE2-CD1 3.94Å; F270-V340 HydrophobicContact CD1-CB 4.45Å; F270-V340 HydrophobicContact CD1-CG1 3.89Å; F270-V340 HydrophobicContact CD1-CG2 3.73Å; F270-V340 HydrophobicContact CE1-CG1 4.05Å; F270-V340 HydrophobicContact CE1-CG2 4.46Å
271	A	98.9	Very high	97.9	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-58.5	-47	177	0	0	0	0	0	111.6	A267 A273 V274 H275 V340 M343 V344 L379	A267-A271 WeakPolarHBondContact O-CB 3.38Å; A267-A271 PolarHBondContact O-N 3.4Å; A271-A273 VanDerWaalsContact C-N 3.3Å; A271-A273 PolarHBondContact O-N 3.48Å; A271-V274 PolarHBondContact O-N 2.78Å; A271-H275 WeakPolarHBondContact O-CB 3.35Å; A271-H275 PolarHBondContact O-N 3.36Å; A271-V340 HydrophobicContact CB-CB 4.49Å; A271-V340 HydrophobicContact CB-CG1 4.19Å; A271-V340 HydrophobicContact CB-CG2 4.29Å; A271-M343 HydrophobicContact CB-CB 4.13Å; A271-M343 HydrophobicContact CB-CE 3.6Å; A271-M343 HydrophobicContact CB-SD 4.27Å; A271-V344 HydrophobicContact CB-CG2 4.02Å; A271-L379 HydrophobicContact CB-CD2 4.06Å
272	A	98.9	Very high	98.2	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-58.5	-40.7	176.5	0	0	0	0	0	112.9	V243 T244 V247 M268 F270 V274 H275 L379	V243-A272 HydrophobicContact CG1-CB 4.23Å; T244-A272 HydrophobicContact CG2-CB 4.44Å; V247-A272 HydrophobicContact CB-CB 4.46Å; V247-A272 HydrophobicContact CG2-CB 4.04Å; M268-A272 WeakPolarHBondContact O-CB 3.46Å; M268-A272 PolarHBondContact O-N 3.22Å; F270-A272 PolarHBondContact O-N 2.98Å; A272-V274 VanDerWaalsContact C-N 3.3Å; A272-V274 PolarHBondContact O-N 3.05Å; A272-H275 PolarHBondContact O-ND1 3.15Å; A272-L379 HydrophobicContact CB-CD1 3.74Å
273	A	98.9	Very high	98.5	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-69.6	-24.4	-179.7	0	0	0	0	0	113.8	L192 F196 L223 Y227 T244 I269 F270 A271	L192-A273 HydrophobicContact CD1-CB 4.17Å; F196-A273 HydrophobicContact CD2-CB 3.7Å; F196-A273 HydrophobicContact CE2-CB 3.86Å; L223-A273 HydrophobicContact CD2-CB 4.39Å; Y227-A273 WeakPolarHBondContact CE2-O 3.47Å; Y227-A273 PolarHBondContact OH-O 2.92Å; Y227-A273 VanDerWaalsContact OH-O 3.14Å; T244-A273 WeakPolarHBondContact OG1-CA 3.31Å; T244-A273 PolarHBondContact OG1-N 3.24Å; I269-A273 WeakPolarHBondContact O-CB 3.3Å; I269-A273 PolarHBondContact O-N 3.01Å; I269-A273 VanDerWaalsContact O-N 3.09Å; F270-A273 PolarHBondContact O-N 3.07Å; A271-A273 VanDerWaalsContact C-N 3.3Å; A271-A273 PolarHBondContact O-N 3.48Å
274	V	98.9	Very high	98.6	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-113.5	-3.4	-174	-52.2	0	0	0	0	114.5	F219 L223 F270 A271 A272 D276 Y277 A312 V344	F219-V274 HydrophobicContact CZ-CG1 4.14Å; L223-V274 HydrophobicContact CD1-CG1 3.94Å; L223-V274 HydrophobicContact CD2-CG1 4.14Å; F270-V274 HydrophobicContact CD1-CG2 4.41Å; F270-V274 HydrophobicContact CD2-CG1 4.43Å; F270-V274 HydrophobicContact CE1-CG1 4.34Å; F270-V274 HydrophobicContact CE1-CG2 4.2Å; F270-V274 HydrophobicContact CE2-CG1 4.08Å; F270-V274 HydrophobicContact CZ-CG1 4.02Å; F270-V274 WeakPolarHBondContact O-CG1 3.27Å; F270-V274 WeakPolarHBondContact O-CG2 3.44Å; F270-V274 PolarHBondContact O-N 3.41Å; F270-V274 VanDerWaalsContact O-N 3.17Å; A271-V274 PolarHBondContact O-N 2.78Å; A272-V274 VanDerWaalsContact C-N 3.3Å; A272-V274 PolarHBondContact O-N 3.05Å; V274-D276 PolarHBondContact O-N 3.35Å; V274-Y277 WeakPolarHBondContact O-CB 3.39Å; V274-Y277 PolarHBondContact O-N 2.66Å; V274-A312 HydrophobicContact CB-CB 3.74Å; V274-A312 HydrophobicContact CG1-CB 3.93Å; V274-A312 HydrophobicContact CG2-CB 4.1Å; V274-V344 HydrophobicContact CG2-CG2 4.48Å
275	H	98.9	Very high	98.6	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-23.7	-166.5	77	-74.2	0	0	0	114.7	H239 A271 A272 H308 V344 T347 D383	H239-H275 AromaticContact CD2-CE1 3.87Å; H239-H275 AromaticContact CD2-NE2 3.82Å; H239-H275 AromaticContact NE2-CE1 3.68Å; H239-H275 AromaticContact NE2-NE2 3.3Å; H239-H275 PolarHBondContact NE2-NE2 3.45Å; A271-H275 WeakPolarHBondContact O-CB 3.35Å; A271-H275 PolarHBondContact O-N 3.36Å; A272-H275 PolarHBondContact O-ND1 3.15Å; H275-H308 VanDerWaalsContact O-CB 3.3Å; H275-H308 WeakPolarHBondContact O-CB 3.44Å; H275-H308 PolarHBondContact O-CD2 2.83Å; H275-V344 HydrophobicContact CB-CG1 4.19Å; H275-V344 HydrophobicContact CB-CG2 4.1Å; H275-T347 HydrophobicContact CB-CG2 4.48Å; H275-D383 IonicContact NE2-OD1 2.69Å
276	D	98.9	Very high	98.7	Very high	10 Å²	10	12.8 Å²	12.8	5%	0.053	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.4	18.1	-178.1	-88.5	-19.7	0	0	0	113.4	Y227 H235 H239 V274 E278 H279 H308	Y227-D276 VanDerWaalsContact CE1-C 3.47Å; Y227-D276 HydrophobicContact CE1-CB 3.65Å; Y227-D276 VanDerWaalsContact CE1-O 3.26Å; Y227-D276 WeakPolarHBondContact CE1-O 3.2Å; Y227-D276 PolarHBondContact OH-N 2.82Å; H235-D276 IonicContact CD2-OD2 3.21Å; H235-D276 PolarHBondContact CD2-OD2 3.45Å; H235-D276 VanDerWaalsContact CD2-OD2 3.27Å; H239-D276 IonicContact CD2-OD2 3.41Å; H239-D276 PolarHBondContact CD2-OD2 3.46Å; H239-D276 IonicContact NE2-OD2 3.67Å; H239-D276 PolarHBondContact NE2-OD2 2.88Å; V274-D276 PolarHBondContact O-N 3.35Å; D276-E278 PolarHBondContact O-N 3.3Å; D276-H279 WeakPolarHBondContact O-CB 3.39Å; D276-H279 PolarHBondContact O-N 3.06Å; D276-H308 IonicContact OD1-NE2 2.74Å
277	Y	98.8	Very high	98.7	Very high	13 Å²	13	13.4 Å²	13.4	5%	0.051	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	127.1	-171.8	179.4	-118.7	0	0	0	112.5	L223 G226 Y227 V274 H279 H308 A311 A312 L315	L223-Y277 HydrophobicContact CD1-CD1 4.39Å; L223-Y277 HydrophobicContact CD1-CD2 3.35Å; L223-Y277 HydrophobicContact CD1-CE2 3.66Å; L223-Y277 HydrophobicContact CD1-CG 3.76Å; L223-Y277 HydrophobicContact CG-CD2 4.1Å; L223-Y277 HydrophobicContact CG-CE2 4.31Å; L223-Y277 VanDerWaalsContact O-CE2 3.28Å; L223-Y277 WeakPolarHBondContact O-CE2 3.41Å; G226-Y277 VanDerWaalsContact CA-CE2 3.45Å; Y227-Y277 HydrophobicContact CD2-CD2 4.06Å; Y227-Y277 HydrophobicContact CE2-CD2 4.13Å; Y227-Y277 PolarHBondContact OH-N 3.4Å; V274-Y277 WeakPolarHBondContact O-CB 3.39Å; V274-Y277 PolarHBondContact O-N 2.66Å; Y277-H279 VanDerWaalsContact C-N 3.32Å; Y277-H279 PolarHBondContact O-N 2.86Å; Y277-H308 PolarHBondContact O-ND1 3.04Å; Y277-A311 HydrophobicContact CD1-CB 3.77Å; Y277-A311 HydrophobicContact CE1-CB 3.91Å; Y277-A312 HydrophobicContact CD1-CB 4.24Å; Y277-L315 HydrophobicContact CE1-CD2 4.38Å
278	E	98.6	Very high	98.6	Very high	29 Å²	29	16 Å²	16	14%	0.136	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.3	28.4	-172.5	-54.1	-163.6	130.5	0	0	115.8	K229 D276 T280 H307	K229-E278 HydrophobicContact CD-CG 4.33Å; K229-E278 WeakPolarHBondContact CD-OE1 3.47Å; K229-E278 IonicContact NZ-OE1 3.24Å; K229-E278 PolarHBondContact NZ-OE1 3.25Å; K229-E278 IonicContact NZ-OE2 3.47Å; K229-E278 PolarHBondContact NZ-OE2 3.4Å; D276-E278 PolarHBondContact O-N 3.3Å; E278-T280 PolarHBondContact O-N 2.85Å; E278-H307 IonicContact OE2-CE1 3.59Å; E278-H307 PolarHBondContact OE2-CE1 2.85Å; E278-H307 IonicContact OE2-NE2 2.72Å; E278-H307 PolarHBondContact OE2-NE2 3.07Å
279	H	98.8	Very high	98.6	Very high	12 Å²	12	20 Å²	20	6%	0.056	10%	0.104	C	C	.	.			trans	-51.4	139.8	171.9	-166	-85.9	0	0	0	112.1	H230 N232 H235 D276 Y277 G281 H308 E404	H230-H279 PolarHBondContact CD2-O 3.37Å; N232-H279 PolarHBondContact ND2-O 3.27Å; H235-H279 HydrophobicContact CB-CB 3.76Å; H235-H279 WeakPolarHBondContact CB-ND1 3.45Å; H235-H279 AromaticContact CE1-CE1 3.88Å; H235-H279 AromaticContact CG-CE1 3.66Å; H235-H279 AromaticContact CG-CG 3.85Å; H235-H279 AromaticContact CG-ND1 3.58Å; H235-H279 AromaticContact CG-NE2 3.97Å; H235-H279 AromaticContact ND1-CE1 3.45Å; H235-H279 PolarHBondContact ND1-CE1 2.92Å; H235-H279 AromaticContact ND1-ND1 3.69Å; D276-H279 WeakPolarHBondContact O-CB 3.39Å; D276-H279 PolarHBondContact O-N 3.06Å; Y277-H279 VanDerWaalsContact C-N 3.32Å; Y277-H279 PolarHBondContact O-N 2.86Å; H279-G281 PolarHBondContact ND1-N 3.16Å; H279-H308 AromaticContact CD2-CE1 3.9Å; H279-H308 AromaticContact CD2-NE2 3.69Å; H279-E404 IonicContact CE1-OE1 3.81Å; H279-E404 IonicContact ND1-OE1 2.8Å
280	T	98.6	Very high	98.5	Very high	25 Å²	25	22.3 Å²	22.3	15%	0.153	12%	0.119	C	C	.	.			trans	-89.7	-4.6	-171.5	56.4	0	0	0	0	114.3	E278 T282 H287	E278-T280 PolarHBondContact O-N 2.85Å; T280-T282 VanDerWaalsContact C-N 3.3Å; T280-T282 PolarHBondContact OG1-OG1 3.42Å; T280-H287 PolarHBondContact OG1-NE2 2.95Å
281	G	98.5	Very high	98.5	Very high	5 Å²	5	31.7 Å²	31.7	5%	0.052	15%	0.154	C	C	.	.	S	Bend	trans	76	20.4	-173.7	0	0	0	0	0	113.2	N232 H279 E404	N232-G281 WeakPolarHBondContact OD1-CA 3.47Å; N232-G281 PolarHBondContact OD1-N 3.23Å; H279-G281 PolarHBondContact ND1-N 3.16Å; G281-E404 VanDerWaalsContact CA-OE1 3.23Å; G281-E404 WeakPolarHBondContact CA-OE1 3.32Å
282	T	98.6	Very high	98.4	Very high	7 Å²	7	32.9 Å²	32.9	4%	0.043	16%	0.162	C	C	.	.	S	Bend	trans	-143.1	153.4	-179.6	54.1	0	0	0	0	110.1	T280 F286 H287 L304 Q408 K411	T280-T282 VanDerWaalsContact C-N 3.3Å; T280-T282 PolarHBondContact OG1-OG1 3.42Å; T282-F286 HydrophobicContact CG2-CD1 3.79Å; T282-F286 HydrophobicContact CG2-CE1 3.96Å; T282-F286 HydrophobicContact CG2-CG 4.17Å; T282-F286 HydrophobicContact CG2-CZ 4.47Å; T282-H287 PolarHBondContact OG1-NE2 3.32Å; T282-L304 VanDerWaalsContact O-CD1 3.25Å; T282-L304 WeakPolarHBondContact O-CD1 3.47Å; T282-Q408 VanDerWaalsContact CA-OE1 3.23Å; T282-Q408 HydrophobicContact CG2-CB 4.15Å; T282-Q408 HydrophobicContact CG2-CG 3.97Å; T282-K411 HydrophobicContact CG2-CD 4.15Å
283	T	98.6	Very high	98.4	Very high	50 Å²	50	39.9 Å²	39.9	31%	0.307	20%	0.2	S	C	.	.			trans	-78	163.1	-174.4	66.2	0	0	0	0	113.9	N285 F286 H287	T283-N285 PolarHBondContact O-N 3.39Å; T283-F286 WeakPolarHBondContact O-CB 3.33Å; T283-F286 PolarHBondContact O-N 2.96Å; T283-F286 PolarHBondContact OG1-N 3.47Å; T283-H287 PolarHBondContact O-CD2 2.87Å; T283-H287 PolarHBondContact O-N 2.8Å; T283-H287 VanDerWaalsContact O-N 3.13Å
284	N	98.3	Very high	98.3	Very high	26 Å²	26	41.2 Å²	41.2	14%	0.139	21%	0.208	C	C	.	.	H	α-helix	trans	-49.5	-42.4	169.9	-80	-23.9	0	0	0	112.3	F286 H287 I288 V303 L304 E305	N284-F286 PolarHBondContact O-N 2.94Å; N284-H287 WeakPolarHBondContact O-CB 3.46Å; N284-H287 PolarHBondContact O-N 3.47Å; N284-I288 VanDerWaalsContact O-CG1 3.27Å; N284-I288 WeakPolarHBondContact O-CG1 3.44Å; N284-I288 PolarHBondContact O-N 3.47Å; N284-V303 WeakPolarHBondContact OD1-CB 3.31Å; N284-V303 PolarHBondContact OD1-N 3.38Å; N284-L304 VanDerWaalsContact OD1-CB 3.27Å; N284-L304 WeakPolarHBondContact OD1-CB 3.41Å; N284-L304 WeakPolarHBondContact OD1-CD1 3.41Å; N284-L304 WeakPolarHBondContact OD1-CG 3.35Å; N284-L304 PolarHBondContact OD1-N 3.01Å; N284-E305 PolarHBondContact ND2-OE1 3.16Å; N284-E305 PolarHBondContact ND2-OE2 3.3Å
285	N	97.8	Very high	98.2	Very high	73 Å²	73	41.2 Å²	41.2	39%	0.39	21%	0.208	S	C	.	.	H	α-helix	trans	-65	-38.1	178.9	179.8	68.5	0	0	0	112.5	T283 H287 I288 Q289	T283-N285 PolarHBondContact O-N 3.39Å; N285-H287 VanDerWaalsContact C-N 3.35Å; N285-I288 PolarHBondContact O-N 2.9Å; N285-Q289 PolarHBondContact ND2-NE2 2.93Å; N285-Q289 WeakPolarHBondContact O-CB 3.46Å; N285-Q289 VanDerWaalsContact O-CG 3.32Å; N285-Q289 WeakPolarHBondContact O-CG 3.36Å; N285-Q289 PolarHBondContact O-N 2.92Å; N285-Q289 PolarHBondContact OD1-NE2 3.42Å
286	F	98.4	Very high	98.2	Very high	19 Å²	19	46.3 Å²	46.3	8%	0.083	23%	0.234	C	C	.	.	H	α-helix	trans	-61.7	-44.7	173.8	-178.8	-89.8	0	0	0	111.2	T282 T283 N284 I288 Q289 T290 Q408 K411 E412 L415	T282-F286 HydrophobicContact CG2-CD1 3.79Å; T282-F286 HydrophobicContact CG2-CE1 3.96Å; T282-F286 HydrophobicContact CG2-CG 4.17Å; T282-F286 HydrophobicContact CG2-CZ 4.47Å; T283-F286 WeakPolarHBondContact O-CB 3.33Å; T283-F286 PolarHBondContact O-N 2.96Å; T283-F286 PolarHBondContact OG1-N 3.47Å; N284-F286 PolarHBondContact O-N 2.94Å; F286-I288 VanDerWaalsContact C-N 3.32Å; F286-I288 PolarHBondContact O-N 2.93Å; F286-Q289 PolarHBondContact O-N 3.27Å; F286-T290 HydrophobicContact CD1-CG2 4.2Å; F286-T290 HydrophobicContact CD2-CG2 4.39Å; F286-T290 HydrophobicContact CE1-CG2 3.82Å; F286-T290 HydrophobicContact CE2-CG2 4.04Å; F286-T290 HydrophobicContact CG-CG2 4.46Å; F286-T290 HydrophobicContact CZ-CG2 3.74Å; F286-T290 WeakPolarHBondContact O-CB 3.23Å; F286-T290 WeakPolarHBondContact O-CG2 3.33Å; F286-T290 PolarHBondContact O-N 2.86Å; F286-T290 PolarHBondContact O-OG1 3Å; F286-Q408 HydrophobicContact CB-CG 4.45Å; F286-Q408 HydrophobicContact CD2-CG 3.77Å; F286-Q408 HydrophobicContact CE2-CG 4.29Å; F286-Q408 HydrophobicContact CG-CG 4.2Å; F286-K411 HydrophobicContact CE2-CB 4.17Å; F286-K411 HydrophobicContact CZ-CB 4.06Å; F286-K411 HydrophobicContact CZ-CD 4.36Å; F286-E412 HydrophobicContact CD2-CG 3.77Å; F286-E412 HydrophobicContact CE2-CG 3.77Å; F286-L415 HydrophobicContact CE2-CD1 4.26Å; F286-L415 HydrophobicContact CZ-CD1 3.91Å
287	H	98.6	Very high	98	Very high	12 Å²	12	51 Å²	51	6%	0.056	26%	0.258	C	S	.	.	H	α-helix	trans	-58.5	-41.1	176.2	-86.7	-83	0	0	0	113.1	T280 T282 T283 N284 N285 T290 R291 S292 A295 V303	T280-H287 PolarHBondContact OG1-NE2 2.95Å; T282-H287 PolarHBondContact OG1-NE2 3.32Å; T283-H287 PolarHBondContact O-CD2 2.87Å; T283-H287 PolarHBondContact O-N 2.8Å; T283-H287 VanDerWaalsContact O-N 3.13Å; N284-H287 WeakPolarHBondContact O-CB 3.46Å; N284-H287 PolarHBondContact O-N 3.47Å; N285-H287 VanDerWaalsContact C-N 3.35Å; H287-T290 PolarHBondContact O-OG1 3.42Å; H287-R291 PolarHBondContact O-N 2.6Å; H287-R291 VanDerWaalsContact O-N 3.13Å; H287-S292 WeakPolarHBondContact CB-OG 3.42Å; H287-S292 WeakPolarHBondContact ND1-CB 3.49Å; H287-S292 PolarHBondContact ND1-OG 3.29Å; H287-S292 PolarHBondContact O-N 2.92Å; H287-S292 PolarHBondContact O-OG 3.06Å; H287-S292 VanDerWaalsContact O-OG 3.13Å; H287-A295 HydrophobicContact CB-CB 4.25Å; H287-A295 WeakPolarHBondContact O-CB 3.25Å; H287-V303 HydrophobicContact CB-CG1 4.2Å
288	I	98.2	Very high	97.9	Very high	56 Å²	56	52.3 Å²	52.3	29%	0.287	26%	0.264	S	S	.	.	H	α-helix	trans	-69	-48.8	177.8	-65.7	164.2	0	0	0	110.6	N284 N285 F286 T290 R291 A295 D300 V303	N284-I288 VanDerWaalsContact O-CG1 3.27Å; N284-I288 WeakPolarHBondContact O-CG1 3.44Å; N284-I288 PolarHBondContact O-N 3.47Å; N285-I288 PolarHBondContact O-N 2.9Å; F286-I288 VanDerWaalsContact C-N 3.32Å; F286-I288 PolarHBondContact O-N 2.93Å; I288-T290 VanDerWaalsContact C-N 3.3Å; I288-T290 PolarHBondContact O-N 2.94Å; I288-R291 PolarHBondContact O-N 3.29Å; I288-R291 VanDerWaalsContact O-N 3.1Å; I288-A295 HydrophobicContact CG1-CB 4.44Å; I288-D300 HydrophobicContact CD1-CB 3.94Å; I288-D300 HydrophobicContact CG1-CB 3.89Å; I288-D300 HydrophobicContact CG2-CB 4.49Å; I288-V303 HydrophobicContact CG1-CG2 4.38Å
289	Q	97.4	Very high	97.9	Very high	82 Å²	82	56.8 Å²	56.8	38%	0.383	29%	0.288	S	S	.	.	H	α-helix	trans	-63.1	-36.9	-178.8	-73.2	-173	10.9	0	0	112.6	N285 F286 R291	N285-Q289 PolarHBondContact ND2-NE2 2.93Å; N285-Q289 WeakPolarHBondContact O-CB 3.46Å; N285-Q289 VanDerWaalsContact O-CG 3.32Å; N285-Q289 WeakPolarHBondContact O-CG 3.36Å; N285-Q289 PolarHBondContact O-N 2.92Å; N285-Q289 PolarHBondContact OD1-NE2 3.42Å; F286-Q289 PolarHBondContact O-N 3.27Å; Q289-R291 VanDerWaalsContact C-N 3.32Å
290	T	97.8	Very high	97.8	Very high	49 Å²	49	60.3 Å²	60.3	30%	0.301	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-5.2	177.8	57.9	0	0	0	0	113.7	F286 H287 I288 S292 L415 L417	F286-T290 HydrophobicContact CD1-CG2 4.2Å; F286-T290 HydrophobicContact CD2-CG2 4.39Å; F286-T290 HydrophobicContact CE1-CG2 3.82Å; F286-T290 HydrophobicContact CE2-CG2 4.04Å; F286-T290 HydrophobicContact CG-CG2 4.46Å; F286-T290 HydrophobicContact CZ-CG2 3.74Å; F286-T290 WeakPolarHBondContact O-CB 3.23Å; F286-T290 WeakPolarHBondContact O-CG2 3.33Å; F286-T290 PolarHBondContact O-N 2.86Å; F286-T290 PolarHBondContact O-OG1 3Å; H287-T290 PolarHBondContact O-OG1 3.42Å; I288-T290 VanDerWaalsContact C-N 3.3Å; I288-T290 PolarHBondContact O-N 2.94Å; T290-S292 PolarHBondContact O-N 3.45Å; T290-L415 HydrophobicContact CG2-CD1 3.83Å; T290-L417 HydrophobicContact CG2-CD1 3.91Å
291	R	98	Very high	97.6	Very high	198 Å²	198	68.6 Å²	68.6	75%	0.747	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.1	42.5	-176.5	-55	177.7	-177.3	172.7	0.3	112.4	H287 I288 Q289	H287-R291 PolarHBondContact O-N 2.6Å; H287-R291 VanDerWaalsContact O-N 3.13Å; I288-R291 PolarHBondContact O-N 3.29Å; I288-R291 VanDerWaalsContact O-N 3.1Å; Q289-R291 VanDerWaalsContact C-N 3.32Å
292	S	98	Very high	97.5	Very high	25 Å²	25	69.8 Å²	69.8	18%	0.175	34%	0.344	C	S	.	.			trans	-56.8	155.8	176.6	66.1	0	0	0	0	112	H287 T290 T294 A295 I296	H287-S292 WeakPolarHBondContact CB-OG 3.42Å; H287-S292 WeakPolarHBondContact ND1-CB 3.49Å; H287-S292 PolarHBondContact ND1-OG 3.29Å; H287-S292 PolarHBondContact O-N 2.92Å; H287-S292 PolarHBondContact O-OG 3.06Å; H287-S292 VanDerWaalsContact O-OG 3.13Å; T290-S292 PolarHBondContact O-N 3.45Å; S292-T294 PolarHBondContact O-N 2.95Å; S292-A295 WeakPolarHBondContact O-CB 3.35Å; S292-A295 PolarHBondContact O-N 3.05Å; S292-A295 WeakPolarHBondContact OG-CB 3.27Å; S292-A295 PolarHBondContact OG-N 3.47Å; S292-I296 PolarHBondContact O-N 3.14Å; S292-I296 VanDerWaalsContact O-N 3.11Å
293	D	98.1	Very high	97.5	Very high	146 Å²	146	69.5 Å²	69.5	78%	0.781	34%	0.342	S	S	*	.	H	α-helix	trans	-55	-38.8	177.3	-64.6	-28.2	0	0	0	112.2	I296 L297	D293-I296 PolarHBondContact O-N 3.48Å; D293-L297 VanDerWaalsContact O-CB 3.31Å; D293-L297 WeakPolarHBondContact O-CB 3.14Å; D293-L297 PolarHBondContact O-N 3.18Å
294	T	96.5	Very high	97.5	Very high	29 Å²	29	67.3 Å²	67.3	18%	0.178	33%	0.328	C	S	.	.	H	α-helix	trans	-63.1	-42	177.4	-42.1	0	0	0	0	111.8	S292 L297 Y298 V303 H307	S292-T294 PolarHBondContact O-N 2.95Å; T294-L297 PolarHBondContact O-N 3.11Å; T294-Y298 HydrophobicContact CG2-CD2 3.8Å; T294-Y298 HydrophobicContact CG2-CE2 3.88Å; T294-Y298 VanDerWaalsContact O-CD2 3.28Å; T294-Y298 WeakPolarHBondContact O-CD2 3.41Å; T294-Y298 PolarHBondContact O-N 3.37Å; T294-V303 HydrophobicContact CG2-CG1 3.62Å; T294-H307 HydrophobicContact CG2-CB 3.88Å
295	A	97.8	Very high	97.5	Very high	0 Å²	0	67 Å²	67	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-65	-42.3	177.5	0	0	0	0	0	111.9	H287 I288 S292 Y298 N299 D300 V303	H287-A295 HydrophobicContact CB-CB 4.25Å; H287-A295 WeakPolarHBondContact O-CB 3.25Å; I288-A295 HydrophobicContact CG1-CB 4.44Å; S292-A295 WeakPolarHBondContact O-CB 3.35Å; S292-A295 PolarHBondContact O-N 3.05Å; S292-A295 WeakPolarHBondContact OG-CB 3.27Å; S292-A295 PolarHBondContact OG-N 3.47Å; A295-Y298 PolarHBondContact O-N 2.92Å; A295-N299 WeakPolarHBondContact O-CA 3.43Å; A295-N299 PolarHBondContact O-N 3.46Å; A295-D300 PolarHBondContact O-N 3.18Å; A295-V303 HydrophobicContact CB-CG1 4.28Å; A295-V303 HydrophobicContact CB-CG2 4.38Å
296	I	97.5	Very high	97.6	Very high	106 Å²	106	64.9 Å²	64.9	54%	0.544	32%	0.317	S	S	.	.	H	α-helix	trans	-64.4	-42.5	175.8	-59.3	-58.3	0	0	0	111	S292 D293 Y298 N299	S292-I296 PolarHBondContact O-N 3.14Å; S292-I296 VanDerWaalsContact O-N 3.11Å; D293-I296 PolarHBondContact O-N 3.48Å; I296-Y298 PolarHBondContact O-N 2.92Å; I296-N299 PolarHBondContact O-N 3.42Å
297	L	96.1	Very high	97.6	Very high	108 Å²	108	65.2 Å²	65.2	57%	0.565	32%	0.319	S	S	*	.	H	α-helix	trans	-61.4	-43.3	179.2	-179.3	61.8	0	0	0	112.3	D293 T294	D293-L297 VanDerWaalsContact O-CB 3.31Å; D293-L297 WeakPolarHBondContact O-CB 3.14Å; D293-L297 PolarHBondContact O-N 3.18Å; T294-L297 PolarHBondContact O-N 3.11Å
298	Y	96.9	Very high	97.6	Very high	41 Å²	41	64.7 Å²	64.7	16%	0.161	32%	0.316	C	S	.	.	H	α-helix	trans	-97.9	8.9	-177.3	-63.3	-65.5	0	0	0	114.2	T294 A295 I296 D300 R301 V303 S306 H307 S310	T294-Y298 HydrophobicContact CG2-CD2 3.8Å; T294-Y298 HydrophobicContact CG2-CE2 3.88Å; T294-Y298 VanDerWaalsContact O-CD2 3.28Å; T294-Y298 WeakPolarHBondContact O-CD2 3.41Å; T294-Y298 PolarHBondContact O-N 3.37Å; A295-Y298 PolarHBondContact O-N 2.92Å; I296-Y298 PolarHBondContact O-N 2.92Å; Y298-D300 VanDerWaalsContact C-N 3.28Å; Y298-D300 PolarHBondContact O-N 3.14Å; Y298-R301 PolarHBondContact O-N 3.45Å; Y298-V303 WeakPolarHBondContact CD2-O 3.31Å; Y298-S306 PolarHBondContact OH-O 3.48Å; Y298-H307 HydrophobicContact CE2-CB 3.74Å; Y298-S310 WeakPolarHBondContact OH-CB 3.26Å; Y298-S310 PolarHBondContact OH-OG 2.94Å
299	N	96.8	Very high	97.6	Very high	123 Å²	123	62.4 Å²	62.4	66%	0.658	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	46.8	175.8	-53.6	-82.7	0	0	0	112.6	A295 I296 R301	A295-N299 WeakPolarHBondContact O-CA 3.43Å; A295-N299 PolarHBondContact O-N 3.46Å; I296-N299 PolarHBondContact O-N 3.42Å; N299-R301 PolarHBondContact O-N 3.08Å; N299-R301 VanDerWaalsContact O-N 3.08Å
300	D	96.8	Very high	97.7	Very high	86 Å²	86	60.5 Å²	60.5	46%	0.46	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	60	15	177.5	-54	-26.4	0	0	0	115.7	I288 A295 Y298	I288-D300 HydrophobicContact CD1-CB 3.94Å; I288-D300 HydrophobicContact CG1-CB 3.89Å; I288-D300 HydrophobicContact CG2-CB 4.49Å; A295-D300 PolarHBondContact O-N 3.18Å; Y298-D300 VanDerWaalsContact C-N 3.28Å; Y298-D300 PolarHBondContact O-N 3.14Å
301	R	94.9	Very high	97.7	Very high	200 Å²	200	58.4 Å²	58.4	76%	0.755	29%	0.289	S	S	*	.	S	Bend	trans	-109.2	118.5	179.7	-67	-176.8	-177.3	-164.5	0	111	Y298 N299 V303	Y298-R301 PolarHBondContact O-N 3.45Å; N299-R301 PolarHBondContact O-N 3.08Å; N299-R301 VanDerWaalsContact O-N 3.08Å; R301-V303 PolarHBondContact O-N 2.97Å; R301-V303 VanDerWaalsContact O-N 3.15Å
302	S	96.8	Very high	97.7	Very high	30 Å²	30	49 Å²	49	21%	0.21	25%	0.253	C	S	.	.	S	Bend	trans	39.4	56.6	177.7	-54	0	0	0	0	110.9	L304 E305 S306 D348	S302-L304 PolarHBondContact O-N 3.24Å; S302-E305 WeakPolarHBondContact CA-OE2 3.44Å; S302-E305 WeakPolarHBondContact CB-OE2 3.45Å; S302-E305 PolarHBondContact O-N 2.79Å; S302-S306 WeakPolarHBondContact O-CB 3.36Å; S302-S306 PolarHBondContact O-N 3.18Å; S302-S306 PolarHBondContact O-OG 3.09Å; S302-D348 WeakPolarHBondContact CA-OD2 3.37Å; S302-D348 WeakPolarHBondContact CB-OD2 3.29Å; S302-D348 PolarHBondContact OG-OD2 3.33Å
303	V	98.6	Very high	97.6	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-61.7	-47.8	-161	171.7	0	0	0	0	110.6	N284 H287 I288 T294 A295 Y298 R301 H307	N284-V303 WeakPolarHBondContact OD1-CB 3.31Å; N284-V303 PolarHBondContact OD1-N 3.38Å; H287-V303 HydrophobicContact CB-CG1 4.2Å; I288-V303 HydrophobicContact CG1-CG2 4.38Å; T294-V303 HydrophobicContact CG2-CG1 3.62Å; A295-V303 HydrophobicContact CB-CG1 4.28Å; A295-V303 HydrophobicContact CB-CG2 4.38Å; Y298-V303 WeakPolarHBondContact CD2-O 3.31Å; R301-V303 PolarHBondContact O-N 2.97Å; R301-V303 VanDerWaalsContact O-N 3.15Å; V303-H307 PolarHBondContact O-N 3.48Å
304	L	98.8	Very high	97.6	Very high	5 Å²	5	46.8 Å²	46.8	3%	0.026	23%	0.23	C	C	.	.	H	α-helix	trans	-72.8	-47.2	179.6	-72.9	163.8	0	0	0	111	T282 N284 S302 S306 H307 H308	T282-L304 VanDerWaalsContact O-CD1 3.25Å; T282-L304 WeakPolarHBondContact O-CD1 3.47Å; N284-L304 VanDerWaalsContact OD1-CB 3.27Å; N284-L304 WeakPolarHBondContact OD1-CB 3.41Å; N284-L304 WeakPolarHBondContact OD1-CD1 3.41Å; N284-L304 WeakPolarHBondContact OD1-CG 3.35Å; N284-L304 PolarHBondContact OD1-N 3.01Å; S302-L304 PolarHBondContact O-N 3.24Å; L304-S306 VanDerWaalsContact C-N 3.3Å; L304-S306 PolarHBondContact O-N 2.72Å; L304-H307 CarbonylContact O-C 3.51Å; L304-H307 WeakPolarHBondContact O-CA 3.47Å; L304-H307 VanDerWaalsContact O-CB 3.28Å; L304-H307 WeakPolarHBondContact O-CB 3.46Å; L304-H307 PolarHBondContact O-N 3.01Å; L304-H308 WeakPolarHBondContact CB-NE2 2.92Å; L304-H308 PolarHBondContact O-CD2 2.86Å; L304-H308 PolarHBondContact O-N 3.12Å; L304-H308 PolarHBondContact O-ND1 2.94Å; L304-H308 PolarHBondContact O-NE2 2.62Å
305	E	98.8	Very high	97.5	Very high	19 Å²	19	46.3 Å²	46.3	9%	0.089	23%	0.226	C	C	.	.	H	α-helix	trans	-63	-38.8	-177.5	-56.7	77.3	-167.8	0	0	111.4	N284 S302 H307 H308 V309 L345 D348	N284-E305 PolarHBondContact ND2-OE1 3.16Å; N284-E305 PolarHBondContact ND2-OE2 3.3Å; S302-E305 WeakPolarHBondContact CA-OE2 3.44Å; S302-E305 WeakPolarHBondContact CB-OE2 3.45Å; S302-E305 PolarHBondContact O-N 2.79Å; E305-H307 VanDerWaalsContact C-N 3.35Å; E305-H308 PolarHBondContact O-N 3.38Å; E305-V309 WeakPolarHBondContact O-CG2 3.14Å; E305-V309 PolarHBondContact O-N 2.8Å; E305-L345 HydrophobicContact CB-CD2 4Å; E305-D348 HydrophobicContact CG-CB 3.89Å; E305-D348 WeakPolarHBondContact OE1-CA 3.36Å
306	S	98.6	Very high	97.4	Very high	28 Å²	28	46.5 Å²	46.5	20%	0.196	23%	0.227	C	C	.	.	H	α-helix	trans	-64.6	-39	172.2	-59.2	0	0	0	0	111.9	Y298 S302 L304 S310	Y298-S306 PolarHBondContact OH-O 3.48Å; S302-S306 WeakPolarHBondContact O-CB 3.36Å; S302-S306 PolarHBondContact O-N 3.18Å; S302-S306 PolarHBondContact O-OG 3.09Å; L304-S306 VanDerWaalsContact C-N 3.3Å; L304-S306 PolarHBondContact O-N 2.72Å; S306-S310 WeakPolarHBondContact O-CB 3.28Å; S306-S310 PolarHBondContact O-N 2.69Å
307	H	98.8	Very high	97	Very high	26 Å²	26	47.6 Å²	47.6	12%	0.12	23%	0.23	C	C	.	.	H	α-helix	trans	-64.3	-49.1	174.4	-179.9	75.3	0	0	0	111.6	E278 T294 Y298 V303 L304 E305 V309 S310 A311	E278-H307 IonicContact OE2-CE1 3.59Å; E278-H307 PolarHBondContact OE2-CE1 2.85Å; E278-H307 IonicContact OE2-NE2 2.72Å; E278-H307 PolarHBondContact OE2-NE2 3.07Å; T294-H307 HydrophobicContact CG2-CB 3.88Å; Y298-H307 HydrophobicContact CE2-CB 3.74Å; V303-H307 PolarHBondContact O-N 3.48Å; L304-H307 CarbonylContact O-C 3.51Å; L304-H307 WeakPolarHBondContact O-CA 3.47Å; L304-H307 VanDerWaalsContact O-CB 3.28Å; L304-H307 WeakPolarHBondContact O-CB 3.46Å; L304-H307 PolarHBondContact O-N 3.01Å; E305-H307 VanDerWaalsContact C-N 3.35Å; H307-V309 PolarHBondContact O-N 3.48Å; H307-S310 PolarHBondContact O-N 3.47Å; H307-A311 WeakPolarHBondContact O-CB 3.42Å; H307-A311 PolarHBondContact O-N 2.8Å
308	H	98.8	Very high	96.5	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-53.9	-52.3	-177.7	-58.3	-32.5	0	0	0	111.3	H275 D276 Y277 H279 L304 E305 A312 V344	H275-H308 VanDerWaalsContact O-CB 3.3Å; H275-H308 WeakPolarHBondContact O-CB 3.44Å; H275-H308 PolarHBondContact O-CD2 2.83Å; D276-H308 IonicContact OD1-NE2 2.74Å; Y277-H308 PolarHBondContact O-ND1 3.04Å; H279-H308 AromaticContact CD2-CE1 3.9Å; H279-H308 AromaticContact CD2-NE2 3.69Å; L304-H308 WeakPolarHBondContact CB-NE2 2.92Å; L304-H308 PolarHBondContact O-CD2 2.86Å; L304-H308 PolarHBondContact O-N 3.12Å; L304-H308 PolarHBondContact O-ND1 2.94Å; L304-H308 PolarHBondContact O-NE2 2.62Å; E305-H308 PolarHBondContact O-N 3.38Å; H308-A312 VanDerWaalsContact O-CB 3.29Å; H308-A312 WeakPolarHBondContact O-CB 3.44Å; H308-A312 PolarHBondContact O-N 2.91Å; H308-V344 HydrophobicContact CB-CG1 4.34Å
309	V	98.3	Very high	95.9	Very high	8 Å²	8	49.6 Å²	49.6	5%	0.048	24%	0.244	C	C	.	.	H	α-helix	trans	-65.1	-48.1	178.3	-175.9	0	0	0	0	111.1	E305 H307 A311 A312 Y313 I341 V344	E305-V309 WeakPolarHBondContact O-CG2 3.14Å; E305-V309 PolarHBondContact O-N 2.8Å; H307-V309 PolarHBondContact O-N 3.48Å; V309-A311 VanDerWaalsContact C-N 3.33Å; V309-A311 PolarHBondContact O-N 2.76Å; V309-A312 PolarHBondContact O-N 3.23Å; V309-Y313 HydrophobicContact CG1-CD2 3.69Å; V309-Y313 HydrophobicContact CG1-CE2 3.74Å; V309-Y313 VanDerWaalsContact O-CD2 3.29Å; V309-Y313 WeakPolarHBondContact O-CD2 3.27Å; V309-Y313 PolarHBondContact O-N 3.09Å; V309-Y313 VanDerWaalsContact O-N 3.1Å; V309-I341 HydrophobicContact CG1-CG1 3.72Å; V309-V344 HydrophobicContact CG2-CB 3.34Å; V309-V344 HydrophobicContact CG2-CG1 3.31Å; V309-V344 HydrophobicContact CG2-CG2 3.92Å
310	S	98.3	Very high	95.2	Very high	43 Å²	43	49.5 Å²	49.5	30%	0.301	24%	0.244	S	C	.	.	H	α-helix	trans	-61.5	-41.7	-178.1	-173	0	0	0	0	112.2	Y298 S306 H307 R314	Y298-S310 WeakPolarHBondContact OH-CB 3.26Å; Y298-S310 PolarHBondContact OH-OG 2.94Å; S306-S310 WeakPolarHBondContact O-CB 3.28Å; S306-S310 PolarHBondContact O-N 2.69Å; H307-S310 PolarHBondContact O-N 3.47Å; S310-R314 WeakPolarHBondContact O-CG 3.41Å; S310-R314 PolarHBondContact O-N 3.16Å; S310-R314 VanDerWaalsContact O-N 3.12Å
311	A	98.2	Very high	94.7	Very high	5 Å²	5	52.2 Å²	52.2	4%	0.041	25%	0.253	C	S	.	.	H	α-helix	trans	-69.1	-43.5	179.1	0	0	0	0	0	111.5	Y277 H307 V309 Y313 R314 L315	Y277-A311 HydrophobicContact CD1-CB 3.77Å; Y277-A311 HydrophobicContact CE1-CB 3.91Å; H307-A311 WeakPolarHBondContact O-CB 3.42Å; H307-A311 PolarHBondContact O-N 2.8Å; V309-A311 VanDerWaalsContact C-N 3.33Å; V309-A311 PolarHBondContact O-N 2.76Å; A311-Y313 VanDerWaalsContact C-N 3.34Å; A311-Y313 PolarHBondContact O-N 2.95Å; A311-R314 PolarHBondContact O-N 2.85Å; A311-L315 PolarHBondContact O-N 3.07Å
312	A	97.9	Very high	94.4	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-62.2	-38.8	178.1	0	0	0	0	0	112.8	V274 Y277 H308 V309 L315 L316	V274-A312 HydrophobicContact CB-CB 3.74Å; V274-A312 HydrophobicContact CG1-CB 3.93Å; V274-A312 HydrophobicContact CG2-CB 4.1Å; Y277-A312 HydrophobicContact CD1-CB 4.24Å; H308-A312 VanDerWaalsContact O-CB 3.29Å; H308-A312 WeakPolarHBondContact O-CB 3.44Å; H308-A312 PolarHBondContact O-N 2.91Å; V309-A312 PolarHBondContact O-N 3.23Å; A312-L315 WeakPolarHBondContact O-CB 3.47Å; A312-L315 PolarHBondContact O-N 3.23Å; A312-L316 PolarHBondContact O-N 3.3Å
313	Y	97.6	Very high	94.3	Very high	9 Å²	9	44.4 Å²	44.4	4%	0.035	22%	0.224	C	C	.	.	H	α-helix	trans	-74.3	-30.4	175.4	-83	-80	0	0	0	113.7	F270 V309 A311 L316 Q317 L325 L336 R337 V340	F270-Y313 HydrophobicContact CE1-CE2 4.31Å; V309-Y313 HydrophobicContact CG1-CD2 3.69Å; V309-Y313 HydrophobicContact CG1-CE2 3.74Å; V309-Y313 VanDerWaalsContact O-CD2 3.29Å; V309-Y313 WeakPolarHBondContact O-CD2 3.27Å; V309-Y313 PolarHBondContact O-N 3.09Å; V309-Y313 VanDerWaalsContact O-N 3.1Å; A311-Y313 VanDerWaalsContact C-N 3.34Å; A311-Y313 PolarHBondContact O-N 2.95Å; Y313-L316 HydrophobicContact CD1-CD1 4.23Å; Y313-L316 PolarHBondContact O-N 2.9Å; Y313-Q317 WeakPolarHBondContact O-CG 3.31Å; Y313-Q317 PolarHBondContact O-N 3.36Å; Y313-L325 HydrophobicContact CE1-CD1 3.85Å; Y313-L336 WeakPolarHBondContact OH-CD2 3.25Å; Y313-R337 HydrophobicContact CE1-CB 4.38Å; Y313-R337 HydrophobicContact CE1-CG 4.24Å; Y313-R337 HydrophobicContact CE2-CG 4.37Å; Y313-R337 VanDerWaalsContact OH-CA 3.32Å; Y313-R337 WeakPolarHBondContact OH-CA 3.37Å; Y313-V340 HydrophobicContact CE2-CB 4.49Å; Y313-V340 HydrophobicContact CE2-CG1 3.99Å
314	R	96.6	Very high	94.2	Very high	115 Å²	115	44.6 Å²	44.6	43%	0.434	23%	0.225	S	C	.	.	H	α-helix	trans	-65.7	-41.3	169.9	-77.7	-174.7	-62.8	-179.5	0.3	111.1	S310 A311 L316 Q317 D318	S310-R314 WeakPolarHBondContact O-CG 3.41Å; S310-R314 PolarHBondContact O-N 3.16Å; S310-R314 VanDerWaalsContact O-N 3.12Å; A311-R314 PolarHBondContact O-N 2.85Å; R314-L316 PolarHBondContact O-N 3.34Å; R314-Q317 CarbonylContact O-C 3.53Å; R314-Q317 WeakPolarHBondContact O-CA 3.31Å; R314-Q317 WeakPolarHBondContact O-CB 3.48Å; R314-Q317 PolarHBondContact O-N 2.96Å; R314-D318 PolarHBondContact O-N 3.46Å
315	L	95.6	Very high	94.1	Very high	19 Å²	19	44.5 Å²	44.5	10%	0.099	22%	0.224	C	C	.	.	H	α-helix	trans	-55.8	-38.4	176.1	-174.4	67.3	0	0	0	112.3	F219 A222 L223 Y277 A311 A312 Q317	F219-L315 HydrophobicContact CD2-CD2 4.09Å; F219-L315 HydrophobicContact CD2-CG 4.45Å; F219-L315 HydrophobicContact CE2-CD2 3.9Å; F219-L315 HydrophobicContact CE2-CG 4.46Å; A222-L315 HydrophobicContact CB-CD1 3.88Å; A222-L315 HydrophobicContact CB-CD2 4.15Å; A222-L315 HydrophobicContact CB-CG 4.42Å; L223-L315 HydrophobicContact CB-CD2 4.42Å; L223-L315 HydrophobicContact CD1-CD2 4.26Å; Y277-L315 HydrophobicContact CE1-CD2 4.38Å; A311-L315 PolarHBondContact O-N 3.07Å; A312-L315 WeakPolarHBondContact O-CB 3.47Å; A312-L315 PolarHBondContact O-N 3.23Å; L315-Q317 VanDerWaalsContact C-N 3.27Å; L315-Q317 PolarHBondContact O-N 3.49Å
316	L	94.4	Very high	93.9	Very high	4 Å²	4	50.9 Å²	50.9	2%	0.021	25%	0.248	C	C	.	.	H	α-helix	trans	-70.8	-18.1	174.5	-69.6	171.6	0	0	0	114.4	F219 F270 A312 Y313 R314 M322 N323 I324 L325	F219-L316 HydrophobicContact CD2-CD2 3.4Å; F219-L316 VanDerWaalsContact CD2-CD2 3.4Å; F219-L316 HydrophobicContact CD2-CG 4.1Å; F219-L316 HydrophobicContact CE2-CD2 3.55Å; F219-L316 HydrophobicContact CE2-CG 3.81Å; F219-L316 HydrophobicContact CG-CD2 4.11Å; F219-L316 HydrophobicContact CZ-CD2 4.36Å; F270-L316 HydrophobicContact CE2-CD1 4.08Å; F270-L316 HydrophobicContact CZ-CD1 3.66Å; A312-L316 PolarHBondContact O-N 3.3Å; Y313-L316 HydrophobicContact CD1-CD1 4.23Å; Y313-L316 PolarHBondContact O-N 2.9Å; R314-L316 PolarHBondContact O-N 3.34Å; L316-M322 WeakPolarHBondContact CD2-O 3.25Å; L316-N323 VanDerWaalsContact O-CB 3.28Å; L316-N323 WeakPolarHBondContact O-CB 3.25Å; L316-I324 HydrophobicContact CD2-CG1 3.83Å; L316-L325 HydrophobicContact CD1-CD1 3.62Å; L316-L325 HydrophobicContact CD1-CG 3.95Å
317	Q	90.2	Very high	93.7	Very high	130 Å²	130	53.4 Å²	53.4	61%	0.607	26%	0.26	S	S	*	.	H	α-helix	trans	-100.2	-24.7	-178.8	-71.6	-179.3	-21.8	0	0	113.1	Y313 R314 L315 D319	Y313-Q317 WeakPolarHBondContact O-CG 3.31Å; Y313-Q317 PolarHBondContact O-N 3.36Å; R314-Q317 CarbonylContact O-C 3.53Å; R314-Q317 WeakPolarHBondContact O-CA 3.31Å; R314-Q317 WeakPolarHBondContact O-CB 3.48Å; R314-Q317 PolarHBondContact O-N 2.96Å; L315-Q317 VanDerWaalsContact C-N 3.27Å; L315-Q317 PolarHBondContact O-N 3.49Å; Q317-D319 VanDerWaalsContact C-N 3.28Å; Q317-D319 PolarHBondContact O-N 3.21Å
318	D	84.5	Confident	93.6	Very high	129 Å²	129	53.1 Å²	53.1	69%	0.69	26%	0.259	S	S	*	.	H	α-helix	trans	-66.7	-31.4	-175.8	-70.6	-21.6	0	0	0	112.1	R314	R314-D318 PolarHBondContact O-N 3.46Å
319	D	84.5	Confident	93.4	Very high	61 Å²	61	55.7 Å²	55.7	33%	0.326	28%	0.277	S	S	.	.			trans	-139.3	120.4	175.7	-170.9	-12.3	0	0	0	111	Q317 E321 M322	Q317-D319 VanDerWaalsContact C-N 3.28Å; Q317-D319 PolarHBondContact O-N 3.21Å; D319-E321 PolarHBondContact O-N 3Å; D319-E321 VanDerWaalsContact O-N 3.16Å; D319-E321 WeakPolarHBondContact OD1-CB 3.21Å; D319-E321 PolarHBondContact OD1-N 3.22Å; D319-M322 HydrophobicContact CB-CB 4.45Å; D319-M322 HydrophobicContact CB-CE 4.24Å; D319-M322 HydrophobicContact CB-CG 3.99Å; D319-M322 HydrophobicContact CB-SD 4.23Å; D319-M322 PolarHBondContact O-N 3.19Å
320	D	82.3	Confident	93.2	Very high	122 Å²	122	64 Å²	64	65%	0.652	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-57.5	-28.3	176.4	-79.2	-26.1	0	0	0	112	M322 N323	D320-M322 PolarHBondContact O-N 3.23Å; D320-N323 PolarHBondContact O-N 2.89Å
321	E	85.5	Confident	93	Very high	142 Å²	142	67.1 Å²	67.1	66%	0.664	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-70.4	-17.4	176.6	-61.8	-156.8	150.8	0	0	113	A215 D319	A215-E321 WeakPolarHBondContact CA-O 3.3Å; A215-E321 WeakPolarHBondContact CB-O 3.24Å; D319-E321 PolarHBondContact O-N 3Å; D319-E321 VanDerWaalsContact O-N 3.16Å; D319-E321 WeakPolarHBondContact OD1-CB 3.21Å; D319-E321 PolarHBondContact OD1-N 3.22Å
322	M	89.9	Confident	92.9	Very high	40 Å²	40	68.8 Å²	68.8	20%	0.197	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-97.1	-8.2	177.4	-59.7	-174	-169.3	0	0	113.1	F219 A222 L316 D319 D320 I324	F219-M322 HydrophobicContact CB-CB 4.42Å; F219-M322 WeakPolarHBondContact CB-O 3.18Å; A222-M322 HydrophobicContact CB-CE 4.38Å; A222-M322 HydrophobicContact CB-SD 3.89Å; L316-M322 WeakPolarHBondContact CD2-O 3.25Å; D319-M322 HydrophobicContact CB-CB 4.45Å; D319-M322 HydrophobicContact CB-CE 4.24Å; D319-M322 HydrophobicContact CB-CG 3.99Å; D319-M322 HydrophobicContact CB-SD 4.23Å; D319-M322 PolarHBondContact O-N 3.19Å; D320-M322 PolarHBondContact O-N 3.23Å; M322-I324 PolarHBondContact O-N 3.41Å
323	N	95	Very high	92.9	Very high	27 Å²	27	73.1 Å²	73.1	14%	0.144	35%	0.35	C	S	.	.			trans	-76.5	88.2	-171.5	-167.9	-13.7	0	0	0	112.7	L316 D320 L325 Y326	L316-N323 VanDerWaalsContact O-CB 3.28Å; L316-N323 WeakPolarHBondContact O-CB 3.25Å; D320-N323 PolarHBondContact O-N 2.89Å; N323-L325 PolarHBondContact O-N 2.95Å; N323-L325 VanDerWaalsContact O-N 3.1Å; N323-L325 WeakPolarHBondContact OD1-CA 3.12Å; N323-L325 PolarHBondContact OD1-N 3.32Å; N323-Y326 WeakPolarHBondContact O-CB 3.31Å; N323-Y326 PolarHBondContact O-N 3.38Å; N323-Y326 PolarHBondContact OD1-N 3.19Å; N323-Y326 VanDerWaalsContact OD1-N 3.16Å
324	I	96.8	Very high	92.8	Very high	4 Å²	4	79.2 Å²	79.2	2%	0.021	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-10.8	177	68.2	172.7	0	0	0	113.8	F196 I211 A215 V216 F219 F266 F270 L316 M322	F196-I324 HydrophobicContact CE1-CD1 4.14Å; F196-I324 HydrophobicContact CZ-CD1 3.93Å; I211-I324 HydrophobicContact CG2-CB 3.68Å; I211-I324 HydrophobicContact CG2-CG2 4.01Å; A215-I324 HydrophobicContact CB-CG2 4.16Å; V216-I324 HydrophobicContact CG2-CG2 4.17Å; F219-I324 HydrophobicContact CB-CG2 3.92Å; F219-I324 HydrophobicContact CD1-CD1 3.93Å; F219-I324 HydrophobicContact CD1-CG2 4.37Å; F219-I324 HydrophobicContact CE1-CD1 4.02Å; F219-I324 HydrophobicContact CG-CG2 4.25Å; F266-I324 HydrophobicContact CE2-CD1 4.23Å; F266-I324 HydrophobicContact CZ-CD1 4.05Å; F266-I324 HydrophobicContact CZ-CG1 4.37Å; F270-I324 HydrophobicContact CD2-CD1 3.91Å; F270-I324 HydrophobicContact CE2-CD1 3.94Å; L316-I324 HydrophobicContact CD2-CG1 3.83Å; M322-I324 PolarHBondContact O-N 3.41Å
325	L	96.4	Very high	92.8	Very high	3 Å²	3	76.5 Å²	76.5	2%	0.016	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-0.8	-179.5	-52.3	-176.2	0	0	0	112.8	F266 Y313 L316 N323 N327 L328 L336	F266-L325 HydrophobicContact CE1-CD2 3.6Å; F266-L325 HydrophobicContact CZ-CD2 3.56Å; Y313-L325 HydrophobicContact CE1-CD1 3.85Å; L316-L325 HydrophobicContact CD1-CD1 3.62Å; L316-L325 HydrophobicContact CD1-CG 3.95Å; N323-L325 PolarHBondContact O-N 2.95Å; N323-L325 VanDerWaalsContact O-N 3.1Å; N323-L325 WeakPolarHBondContact OD1-CA 3.12Å; N323-L325 PolarHBondContact OD1-N 3.32Å; L325-N327 VanDerWaalsContact C-N 3.28Å; L325-N327 PolarHBondContact O-N 2.68Å; L325-L328 HydrophobicContact CB-CD1 4.05Å; L325-L328 HydrophobicContact CB-CG 4.47Å; L325-L328 HydrophobicContact CD2-CD1 3.89Å; L325-L328 HydrophobicContact CG-CD1 4.48Å; L325-L328 WeakPolarHBondContact O-CB 3.46Å; L325-L328 WeakPolarHBondContact O-CG 3.44Å; L325-L328 PolarHBondContact O-N 3.32Å; L325-L328 VanDerWaalsContact O-N 3.07Å; L325-L336 HydrophobicContact CD1-CD2 3.94Å; L325-L336 HydrophobicContact CD2-CD1 4.18Å; L325-L336 HydrophobicContact CD2-CD2 4.15Å
326	Y	93.9	Very high	92.9	Very high	153 Å²	153	75.6 Å²	75.6	60%	0.6	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-39.5	-171.2	-176.4	-91.8	0	0	0	114	N323	N323-Y326 WeakPolarHBondContact O-CB 3.31Å; N323-Y326 PolarHBondContact O-N 3.38Å; N323-Y326 PolarHBondContact OD1-N 3.19Å; N323-Y326 VanDerWaalsContact OD1-N 3.16Å
327	N	95.1	Very high	93.1	Very high	80 Å²	80	79 Å²	79	43%	0.428	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	3.8	-176	-73.3	-42.6	0	0	0	114.2	F209 K210 L325	F209-N327 WeakPolarHBondContact O-CB 3.31Å; K210-N327 HydrophobicContact CB-CB 4.18Å; K210-N327 PolarHBondContact O-ND2 3.45Å; L325-N327 VanDerWaalsContact C-N 3.28Å; L325-N327 PolarHBondContact O-N 2.68Å
328	L	95.3	Very high	93.4	Very high	21 Å²	21	75 Å²	75	11%	0.11	36%	0.363	C	S	.	.	S	Bend	trans	-68.3	148	173.8	-65.5	-174.1	0	0	0	111	F209 L263 L325 D332 W333 L336	F209-L328 HydrophobicContact CB-CD2 3.91Å; F209-L328 HydrophobicContact CD1-CD2 3.3Å; F209-L328 HydrophobicContact CE1-CD2 4.03Å; F209-L328 HydrophobicContact CG-CD2 3.8Å; L263-L328 HydrophobicContact CD1-CD2 4.49Å; L325-L328 HydrophobicContact CB-CD1 4.05Å; L325-L328 HydrophobicContact CB-CG 4.47Å; L325-L328 HydrophobicContact CD2-CD1 3.89Å; L325-L328 HydrophobicContact CG-CD1 4.48Å; L325-L328 WeakPolarHBondContact O-CB 3.46Å; L325-L328 WeakPolarHBondContact O-CG 3.44Å; L325-L328 PolarHBondContact O-N 3.32Å; L325-L328 VanDerWaalsContact O-N 3.07Å; L328-D332 HydrophobicContact CB-CB 4.24Å; L328-D332 HydrophobicContact CD2-CB 4.4Å; L328-W333 HydrophobicContact CB-CB 4.23Å; L328-L336 HydrophobicContact CD1-CD1 4.08Å
329	S	95.4	Very high	94.1	Very high	54 Å²	54	69.6 Å²	69.6	38%	0.378	33%	0.334	S	S	.	.			trans	-66.8	160.8	167.2	75.1	0	0	0	0	110.1	D331 D332 W333	S329-D331 PolarHBondContact O-N 3.31Å; S329-D332 WeakPolarHBondContact CB-OD2 3.45Å; S329-D332 PolarHBondContact O-N 3.18Å; S329-D332 WeakPolarHBondContact OG-CB 3.16Å; S329-D332 PolarHBondContact OG-N 2.9Å; S329-D332 VanDerWaalsContact OG-N 3.12Å; S329-D332 PolarHBondContact OG-OD2 3.29Å; S329-W333 WeakPolarHBondContact O-CB 3.34Å; S329-W333 PolarHBondContact O-N 2.97Å
330	K	93.9	Very high	94.8	Very high	183 Å²	183	66.7 Å²	66.7	80%	0.796	32%	0.318	S	S	*	.	H	α-helix	trans	-58.6	-36.2	177.8	-68.2	-175.3	179	-177.4	0	112.3	R334	K330-R334 WeakPolarHBondContact O-CB 3.42Å; K330-R334 VanDerWaalsContact O-CG 3.23Å; K330-R334 WeakPolarHBondContact O-CG 3.46Å; K330-R334 PolarHBondContact O-N 3.48Å; K330-R334 VanDerWaalsContact O-N 3.14Å
331	D	94.3	Very high	95.6	Very high	108 Å²	108	63.4 Å²	63.4	58%	0.578	30%	0.3	S	S	*	.	H	α-helix	trans	-73.3	-45.5	178.9	-64.5	-31.2	0	0	0	110.9	S329 W333 R334 E335	S329-D331 PolarHBondContact O-N 3.31Å; D331-W333 VanDerWaalsContact C-N 3.31Å; D331-W333 PolarHBondContact O-N 3.42Å; D331-R334 PolarHBondContact O-N 3.35Å; D331-R334 IonicContact OD1-NH1 3.9Å; D331-E335 WeakPolarHBondContact O-CB 3.49Å; D331-E335 PolarHBondContact O-N 2.76Å
332	D	95.7	Very high	96.2	Very high	41 Å²	41	59.1 Å²	59.1	22%	0.219	28%	0.28	C	S	.	.	H	α-helix	trans	-60.7	-41.3	176.2	-63.5	-38.8	0	0	0	111.5	L263 L328 S329 E335 L336	L263-D332 HydrophobicContact CD1-CB 3.99Å; L263-D332 HydrophobicContact CD2-CB 3.98Å; L328-D332 HydrophobicContact CB-CB 4.24Å; L328-D332 HydrophobicContact CD2-CB 4.4Å; S329-D332 WeakPolarHBondContact CB-OD2 3.45Å; S329-D332 PolarHBondContact O-N 3.18Å; S329-D332 WeakPolarHBondContact OG-CB 3.16Å; S329-D332 PolarHBondContact OG-N 2.9Å; S329-D332 VanDerWaalsContact OG-N 3.12Å; S329-D332 PolarHBondContact OG-OD2 3.29Å; D332-E335 PolarHBondContact O-N 2.86Å; D332-L336 VanDerWaalsContact O-CB 3.25Å; D332-L336 WeakPolarHBondContact O-CB 3.49Å; D332-L336 PolarHBondContact O-N 3.29Å
333	W	97.3	Very high	96.6	Very high	90 Å²	90	57.2 Å²	57.2	34%	0.341	27%	0.271	S	S	.	.	H	α-helix	trans	-63.4	-42.7	177.2	-176.4	94.9	0	0	0	111.7	L328 S329 D331 R337	L328-W333 HydrophobicContact CB-CB 4.23Å; S329-W333 WeakPolarHBondContact O-CB 3.34Å; S329-W333 PolarHBondContact O-N 2.97Å; D331-W333 VanDerWaalsContact C-N 3.31Å; D331-W333 PolarHBondContact O-N 3.42Å; W333-R337 WeakPolarHBondContact O-CB 3.37Å; W333-R337 PolarHBondContact O-N 3.47Å
334	R	95.6	Very high	96.8	Very high	137 Å²	137	56 Å²	56	52%	0.517	26%	0.264	S	S	.	.	H	α-helix	trans	-65.5	-43.7	177.9	-77	173.4	64.7	-152	0.2	111.6	K330 D331 R337 A338	K330-R334 WeakPolarHBondContact O-CB 3.42Å; K330-R334 VanDerWaalsContact O-CG 3.23Å; K330-R334 WeakPolarHBondContact O-CG 3.46Å; K330-R334 PolarHBondContact O-N 3.48Å; K330-R334 VanDerWaalsContact O-N 3.14Å; D331-R334 PolarHBondContact O-N 3.35Å; D331-R334 IonicContact OD1-NH1 3.9Å; R334-R337 PolarHBondContact O-N 3.3Å; R334-A338 WeakPolarHBondContact O-CB 3.43Å; R334-A338 PolarHBondContact O-N 3.21Å
335	E	96.6	Very high	96.9	Very high	58 Å²	58	58.4 Å²	58.4	27%	0.271	28%	0.277	S	S	.	.	H	α-helix	trans	-65.2	-50.2	178.6	-177.4	177.5	164.6	0	0	111.2	L263 D331 D332 R337 A338 L339	L263-E335 HydrophobicContact CD2-CB 3.95Å; L263-E335 HydrophobicContact CD2-CG 3.95Å; D331-E335 WeakPolarHBondContact O-CB 3.49Å; D331-E335 PolarHBondContact O-N 2.76Å; D332-E335 PolarHBondContact O-N 2.86Å; E335-R337 VanDerWaalsContact C-N 3.29Å; E335-R337 PolarHBondContact O-N 2.9Å; E335-A338 PolarHBondContact O-N 2.85Å; E335-L339 HydrophobicContact CG-CD1 4.23Å; E335-L339 WeakPolarHBondContact O-CG 3.39Å; E335-L339 PolarHBondContact O-N 2.66Å
336	L	98.2	Very high	97	Very high	0 Å²	0	59 Å²	59	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-57.5	-44.8	175.7	-178.2	147.5	0	0	0	110.9	L263 F266 A267 Y313 L325 L328 D332 L339 V340	L263-L336 HydrophobicContact CD1-CB 4.1Å; L263-L336 HydrophobicContact CD1-CD1 4Å; L263-L336 HydrophobicContact CG-CB 4.4Å; F266-L336 HydrophobicContact CB-CD1 4.47Å; F266-L336 HydrophobicContact CD1-CD1 3.5Å; F266-L336 HydrophobicContact CE1-CD1 3.83Å; F266-L336 HydrophobicContact CG-CD1 4.01Å; A267-L336 HydrophobicContact CB-CD1 4.48Å; A267-L336 HydrophobicContact CB-CG 4.04Å; Y313-L336 WeakPolarHBondContact OH-CD2 3.25Å; L325-L336 HydrophobicContact CD1-CD2 3.94Å; L325-L336 HydrophobicContact CD2-CD1 4.18Å; L325-L336 HydrophobicContact CD2-CD2 4.15Å; L328-L336 HydrophobicContact CD1-CD1 4.08Å; D332-L336 VanDerWaalsContact O-CB 3.25Å; D332-L336 WeakPolarHBondContact O-CB 3.49Å; D332-L336 PolarHBondContact O-N 3.29Å; L336-L339 PolarHBondContact O-N 2.78Å; L336-V340 HydrophobicContact CD2-CG2 4Å; L336-V340 HydrophobicContact CG-CG2 4.31Å; L336-V340 WeakPolarHBondContact O-CB 3.47Å; L336-V340 WeakPolarHBondContact O-CG2 3.11Å; L336-V340 PolarHBondContact O-N 2.96Å
337	R	98.2	Very high	97.2	Very high	75 Å²	75	52 Å²	52	28%	0.283	26%	0.255	S	S	.	.	H	α-helix	trans	-62.7	-44.5	178.7	-179.3	174.2	176.9	79.9	1.7	112.7	Y313 W333 R334 E335 V340 I341	Y313-R337 HydrophobicContact CE1-CB 4.38Å; Y313-R337 HydrophobicContact CE1-CG 4.24Å; Y313-R337 HydrophobicContact CE2-CG 4.37Å; Y313-R337 VanDerWaalsContact OH-CA 3.32Å; Y313-R337 WeakPolarHBondContact OH-CA 3.37Å; W333-R337 WeakPolarHBondContact O-CB 3.37Å; W333-R337 PolarHBondContact O-N 3.47Å; R334-R337 PolarHBondContact O-N 3.3Å; E335-R337 VanDerWaalsContact C-N 3.29Å; E335-R337 PolarHBondContact O-N 2.9Å; R337-V340 PolarHBondContact O-N 2.6Å; R337-I341 HydrophobicContact CG-CD1 3.66Å; R337-I341 HydrophobicContact CG-CG1 4.34Å; R337-I341 WeakPolarHBondContact O-CB 3.22Å; R337-I341 WeakPolarHBondContact O-CD1 3.48Å; R337-I341 VanDerWaalsContact O-CG1 3.24Å; R337-I341 WeakPolarHBondContact O-CG1 3.34Å; R337-I341 PolarHBondContact O-N 2.82Å
338	A	97.9	Very high	97.3	Very high	48 Å²	48	48.7 Å²	48.7	40%	0.397	24%	0.238	S	C	.	.	H	α-helix	trans	-60.8	-47.1	177.7	0	0	0	0	0	111.3	R334 E335 I341 E342	R334-A338 WeakPolarHBondContact O-CB 3.43Å; R334-A338 PolarHBondContact O-N 3.21Å; E335-A338 PolarHBondContact O-N 2.85Å; A338-I341 PolarHBondContact O-N 3.14Å; A338-E342 PolarHBondContact O-N 3.47Å
339	L	98.6	Very high	97.4	Very high	14 Å²	14	51.7 Å²	51.7	7%	0.073	25%	0.252	C	S	.	.	H	α-helix	trans	-60.6	-47.2	177.7	-72.7	172.7	0	0	0	112.1	E264 A267 E335 L336 E342 M343 P372 L375	E264-L339 HydrophobicContact CG-CD1 3.92Å; A267-L339 HydrophobicContact CB-CB 4.05Å; A267-L339 HydrophobicContact CB-CD1 4.14Å; E335-L339 HydrophobicContact CG-CD1 4.23Å; E335-L339 WeakPolarHBondContact O-CG 3.39Å; E335-L339 PolarHBondContact O-N 2.66Å; L336-L339 PolarHBondContact O-N 2.78Å; L339-E342 PolarHBondContact O-N 3.01Å; L339-M343 HydrophobicContact CB-CE 4.12Å; L339-M343 WeakPolarHBondContact O-CB 3.43Å; L339-M343 WeakPolarHBondContact O-CE 3.26Å; L339-M343 VanDerWaalsContact O-CG 3.3Å; L339-M343 WeakPolarHBondContact O-CG 3.46Å; L339-M343 PolarHBondContact O-N 2.8Å; L339-P372 HydrophobicContact CD2-CB 4.22Å; L339-P372 HydrophobicContact CD2-CG 3.88Å; L339-L375 HydrophobicContact CD2-CD1 4.26Å
340	V	98.9	Very high	97.3	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-64.5	-43.8	-178.9	171.9	0	0	0	0	111.5	A267 F270 A271 Y313 L336 R337 E342 M343 V344	A267-V340 HydrophobicContact CB-CG2 4.09Å; F270-V340 HydrophobicContact CD1-CB 4.45Å; F270-V340 HydrophobicContact CD1-CG1 3.89Å; F270-V340 HydrophobicContact CD1-CG2 3.73Å; F270-V340 HydrophobicContact CE1-CG1 4.05Å; F270-V340 HydrophobicContact CE1-CG2 4.46Å; A271-V340 HydrophobicContact CB-CB 4.49Å; A271-V340 HydrophobicContact CB-CG1 4.19Å; A271-V340 HydrophobicContact CB-CG2 4.29Å; Y313-V340 HydrophobicContact CE2-CB 4.49Å; Y313-V340 HydrophobicContact CE2-CG1 3.99Å; L336-V340 HydrophobicContact CD2-CG2 4Å; L336-V340 HydrophobicContact CG-CG2 4.31Å; L336-V340 WeakPolarHBondContact O-CB 3.47Å; L336-V340 WeakPolarHBondContact O-CG2 3.11Å; L336-V340 PolarHBondContact O-N 2.96Å; R337-V340 PolarHBondContact O-N 2.6Å; V340-E342 VanDerWaalsContact C-N 3.33Å; V340-E342 PolarHBondContact O-N 2.85Å; V340-M343 HydrophobicContact CG2-CE 4.4Å; V340-M343 PolarHBondContact O-N 3.49Å; V340-V344 HydrophobicContact CG1-CG2 4.33Å; V340-V344 WeakPolarHBondContact O-CG2 3.42Å; V340-V344 PolarHBondContact O-N 3.15Å
341	I	98.6	Very high	97.2	Very high	53 Å²	53	46.9 Å²	46.9	27%	0.272	24%	0.241	S	C	.	.	H	α-helix	trans	-58.7	-48.4	176	-71.1	164.9	0	0	0	110	V309 R337 A338 L345	V309-I341 HydrophobicContact CG1-CG1 3.72Å; R337-I341 HydrophobicContact CG-CD1 3.66Å; R337-I341 HydrophobicContact CG-CG1 4.34Å; R337-I341 WeakPolarHBondContact O-CB 3.22Å; R337-I341 WeakPolarHBondContact O-CD1 3.48Å; R337-I341 VanDerWaalsContact O-CG1 3.24Å; R337-I341 WeakPolarHBondContact O-CG1 3.34Å; R337-I341 PolarHBondContact O-N 2.82Å; A338-I341 PolarHBondContact O-N 3.14Å; I341-L345 HydrophobicContact CG2-CD1 3.7Å; I341-L345 HydrophobicContact CG2-CG 4.32Å; I341-L345 WeakPolarHBondContact O-CB 3.48Å; I341-L345 VanDerWaalsContact O-CG 3.25Å; I341-L345 WeakPolarHBondContact O-CG 3.39Å; I341-L345 PolarHBondContact O-N 3.36Å
342	E	98.1	Very high	97.3	Very high	53 Å²	53	41.9 Å²	41.9	25%	0.248	21%	0.214	C	C	.	.	H	α-helix	trans	-63.8	-44.4	-178.3	-175.1	167.6	172	0	0	112.3	A338 L339 V340 A346 P372 K373	A338-E342 PolarHBondContact O-N 3.47Å; L339-E342 PolarHBondContact O-N 3.01Å; V340-E342 VanDerWaalsContact C-N 3.33Å; V340-E342 PolarHBondContact O-N 2.85Å; E342-A346 VanDerWaalsContact O-CB 3.31Å; E342-A346 WeakPolarHBondContact O-CB 3.28Å; E342-A346 PolarHBondContact O-N 3.49Å; E342-A346 VanDerWaalsContact O-N 3.12Å; E342-P372 HydrophobicContact CG-CB 4.33Å; E342-P372 WeakPolarHBondContact OE1-CB 3.5Å; E342-P372 WeakPolarHBondContact OE2-CB 3.37Å; E342-K373 WeakPolarHBondContact OE1-CD 3.46Å; E342-K373 WeakPolarHBondContact OE1-CE 3.23Å; E342-K373 IonicContact OE1-NZ 2.79Å; E342-K373 PolarHBondContact OE1-NZ 3.24Å
343	M	98.8	Very high	97.2	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-64.3	-47	-179.7	-74.3	-174.4	-71.7	0	0	112.7	A267 M268 A271 L339 V340 A346 T347 L375 L379	A267-M343 HydrophobicContact CB-CE 4.04Å; A267-M343 WeakPolarHBondContact O-CE 3.49Å; M268-M343 HydrophobicContact CE-SD 3.3Å; M268-M343 WeakPolarHBondContact CE-SD 3.36Å; M268-M343 HydrophobicContact SD-SD 4.02Å; A271-M343 HydrophobicContact CB-CB 4.13Å; A271-M343 HydrophobicContact CB-CE 3.6Å; A271-M343 HydrophobicContact CB-SD 4.27Å; L339-M343 HydrophobicContact CB-CE 4.12Å; L339-M343 WeakPolarHBondContact O-CB 3.43Å; L339-M343 WeakPolarHBondContact O-CE 3.26Å; L339-M343 VanDerWaalsContact O-CG 3.3Å; L339-M343 WeakPolarHBondContact O-CG 3.46Å; L339-M343 PolarHBondContact O-N 2.8Å; V340-M343 HydrophobicContact CG2-CE 4.4Å; V340-M343 PolarHBondContact O-N 3.49Å; M343-A346 WeakPolarHBondContact O-CB 3.39Å; M343-A346 PolarHBondContact O-N 3.3Å; M343-T347 PolarHBondContact O-N 3.34Å; M343-L375 HydrophobicContact CG-CB 4.12Å; M343-L375 HydrophobicContact SD-CB 3.72Å; M343-L375 HydrophobicContact SD-CD1 4.49Å; M343-L379 HydrophobicContact CB-CD2 3.83Å
344	V	98.9	Very high	97	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-72.3	-38.3	-178	177.1	0	0	0	0	111.2	A271 V274 H275 H308 V309 V340 A346 T347	A271-V344 HydrophobicContact CB-CG2 4.02Å; V274-V344 HydrophobicContact CG2-CG2 4.48Å; H275-V344 HydrophobicContact CB-CG1 4.19Å; H275-V344 HydrophobicContact CB-CG2 4.1Å; H308-V344 HydrophobicContact CB-CG1 4.34Å; V309-V344 HydrophobicContact CG2-CB 3.34Å; V309-V344 HydrophobicContact CG2-CG1 3.31Å; V309-V344 HydrophobicContact CG2-CG2 3.92Å; V340-V344 HydrophobicContact CG1-CG2 4.33Å; V340-V344 WeakPolarHBondContact O-CG2 3.42Å; V340-V344 PolarHBondContact O-N 3.15Å; V344-A346 PolarHBondContact O-N 3.49Å; V344-T347 PolarHBondContact O-N 2.56Å; V344-T347 VanDerWaalsContact O-N 3.1Å; V344-T347 PolarHBondContact O-OG1 3.31Å
345	L	98.6	Very high	96.9	Very high	56 Å²	56	44.4 Å²	44.4	29%	0.293	23%	0.233	S	C	.	.	H	α-helix	trans	-63.2	-25.6	173	-70.1	178.8	0	0	0	112.5	E305 I341 T347 D348	E305-L345 HydrophobicContact CB-CD2 4Å; I341-L345 HydrophobicContact CG2-CD1 3.7Å; I341-L345 HydrophobicContact CG2-CG 4.32Å; I341-L345 WeakPolarHBondContact O-CB 3.48Å; I341-L345 VanDerWaalsContact O-CG 3.25Å; I341-L345 WeakPolarHBondContact O-CG 3.39Å; I341-L345 PolarHBondContact O-N 3.36Å; L345-T347 VanDerWaalsContact C-N 3.3Å; L345-D348 WeakPolarHBondContact O-CB 3.39Å; L345-D348 PolarHBondContact O-N 3.28Å
346	A	98.4	Very high	96.8	Very high	15 Å²	15	42.2 Å²	42.2	12%	0.124	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-7	177.1	0	0	0	0	0	114.4	E342 M343 V344	E342-A346 VanDerWaalsContact O-CB 3.31Å; E342-A346 WeakPolarHBondContact O-CB 3.28Å; E342-A346 PolarHBondContact O-N 3.49Å; E342-A346 VanDerWaalsContact O-N 3.12Å; M343-A346 WeakPolarHBondContact O-CB 3.39Å; M343-A346 PolarHBondContact O-N 3.3Å; V344-A346 PolarHBondContact O-N 3.49Å
347	T	98.7	Very high	96.6	Very high	6 Å²	6	48.8 Å²	48.8	4%	0.037	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-11	170.5	66.7	0	0	0	0	112.2	H275 M343 V344 L345 M349 L379	H275-T347 HydrophobicContact CB-CG2 4.48Å; M343-T347 PolarHBondContact O-N 3.34Å; V344-T347 PolarHBondContact O-N 2.56Å; V344-T347 VanDerWaalsContact O-N 3.1Å; V344-T347 PolarHBondContact O-OG1 3.31Å; L345-T347 VanDerWaalsContact C-N 3.3Å; T347-M349 PolarHBondContact O-N 3.17Å; T347-L379 HydrophobicContact CG2-CD2 3.91Å; T347-L379 HydrophobicContact CG2-CG 3.95Å
348	D	98.4	Very high	96.3	Very high	11 Å²	11	46.9 Å²	46.9	6%	0.059	25%	0.252	C	S	.	.			trans	-56.6	112.4	171.3	-175.6	-22.7	0	0	0	110	S302 E305 L345 S350 C351	S302-D348 WeakPolarHBondContact CA-OD2 3.37Å; S302-D348 WeakPolarHBondContact CB-OD2 3.29Å; S302-D348 PolarHBondContact OG-OD2 3.33Å; E305-D348 HydrophobicContact CG-CB 3.89Å; E305-D348 WeakPolarHBondContact OE1-CA 3.36Å; L345-D348 WeakPolarHBondContact O-CB 3.39Å; L345-D348 PolarHBondContact O-N 3.28Å; D348-S350 PolarHBondContact O-N 2.68Å; D348-S350 VanDerWaalsContact OD1-CB 3.23Å; D348-S350 WeakPolarHBondContact OD1-CB 3.38Å; D348-S350 PolarHBondContact OD1-N 2.9Å; D348-S350 PolarHBondContact OD1-OG 2.92Å; D348-S350 PolarHBondContact OD2-OG 3.41Å; D348-C351 WeakPolarHBondContact O-CB 3.31Å; D348-C351 PolarHBondContact O-N 3.32Å
349	M	96.1	Very high	96.3	Very high	84 Å²	84	44.8 Å²	44.8	41%	0.414	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-59.9	-20.7	-177.3	-75.7	-62.1	-57	0	0	113.5	T347 C351 H352 H380 I384 I441	T347-M349 PolarHBondContact O-N 3.17Å; M349-C351 PolarHBondContact O-N 2.88Å; M349-H352 HydrophobicContact CE-CB 4.4Å; M349-H352 VanDerWaalsContact O-CB 3.24Å; M349-H352 WeakPolarHBondContact O-CB 3.46Å; M349-H352 PolarHBondContact O-N 3.15Å; M349-H380 PolarHBondContact SD-CE1 3.04Å; M349-I384 HydrophobicContact SD-CG2 3.91Å; M349-I441 HydrophobicContact CE-CG2 4.18Å
350	S	94.3	Very high	96.1	Very high	95 Å²	95	48.7 Å²	48.7	66%	0.664	25%	0.25	S	S	*	.	G	3₁₀ helix	trans	-67.1	-24.9	173.4	73	0	0	0	0	112.9	D348	D348-S350 PolarHBondContact O-N 2.68Å; D348-S350 VanDerWaalsContact OD1-CB 3.23Å; D348-S350 WeakPolarHBondContact OD1-CB 3.38Å; D348-S350 PolarHBondContact OD1-N 2.9Å; D348-S350 PolarHBondContact OD1-OG 2.92Å; D348-S350 PolarHBondContact OD2-OG 3.41Å
351	C	91.7	Very high	95.7	Very high	40 Å²	40	52.4 Å²	52.4	27%	0.27	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-83.2	-14.2	177.3	-64.7	0	0	0	0	113.4	D348 M349 F353 Q354 Q355	D348-C351 WeakPolarHBondContact O-CB 3.31Å; D348-C351 PolarHBondContact O-N 3.32Å; M349-C351 PolarHBondContact O-N 2.88Å; C351-F353 PolarHBondContact O-N 3.31Å; C351-Q354 WeakPolarHBondContact O-CB 3.35Å; C351-Q354 PolarHBondContact O-N 3.47Å; C351-Q355 PolarHBondContact O-N 3.06Å
352	H	96.2	Very high	95.4	Very high	3 Å²	3	54.4 Å²	54.4	1%	0.014	28%	0.275	C	S	.	.	H	α-helix	trans	-47	-56.1	-170.3	171.2	89.6	0	0	0	113.9	M349 Q354 Q355 V356 H380 I441 T445	M349-H352 HydrophobicContact CE-CB 4.4Å; M349-H352 VanDerWaalsContact O-CB 3.24Å; M349-H352 WeakPolarHBondContact O-CB 3.46Å; M349-H352 PolarHBondContact O-N 3.15Å; H352-Q354 VanDerWaalsContact C-N 3.32Å; H352-Q354 PolarHBondContact O-N 3.04Å; H352-Q355 PolarHBondContact O-N 3.42Å; H352-V356 WeakPolarHBondContact O-CG2 3.34Å; H352-V356 PolarHBondContact O-N 3.06Å; H352-H380 AromaticContact CG-NE2 3.82Å; H352-H380 AromaticContact ND1-CD2 3.85Å; H352-H380 AromaticContact ND1-NE2 3.17Å; H352-H380 PolarHBondContact ND1-NE2 3.08Å; H352-H380 VanDerWaalsContact ND1-NE2 3.17Å; H352-I441 WeakPolarHBondContact CE1-CG2 3.35Å; H352-T445 PolarHBondContact CE1-OG1 3.47Å
353	F	92.6	Very high	95.1	Very high	142 Å²	142	53.9 Å²	53.9	62%	0.623	27%	0.273	S	S	*	.	H	α-helix	trans	-66.6	-35.1	-175.9	-68.9	-63.6	0	0	0	112.5	C351 K357 I441	C351-F353 PolarHBondContact O-N 3.31Å; F353-K357 WeakPolarHBondContact O-CB 3.38Å; F353-K357 PolarHBondContact O-N 3.49Å; F353-I441 HydrophobicContact CE1-CD1 4.08Å; F353-I441 HydrophobicContact CZ-CD1 3.71Å
354	Q	93.8	Very high	94.6	Very high	152 Å²	152	61 Å²	61	71%	0.71	31%	0.307	S	S	*	.	H	α-helix	trans	-66.6	-44.7	176.2	-178.5	177	-2.7	0	0	110.6	C351 H352 K357 A358	C351-Q354 WeakPolarHBondContact O-CB 3.35Å; C351-Q354 PolarHBondContact O-N 3.47Å; H352-Q354 VanDerWaalsContact C-N 3.32Å; H352-Q354 PolarHBondContact O-N 3.04Å; Q354-K357 PolarHBondContact O-N 3Å; Q354-A358 VanDerWaalsContact O-CB 3.27Å; Q354-A358 WeakPolarHBondContact O-CB 3.24Å; Q354-A358 PolarHBondContact O-N 2.8Å
355	Q	94	Very high	94	Very high	28 Å²	28	64.4 Å²	64.4	13%	0.131	32%	0.323	C	S	.	.	H	α-helix	trans	-62.4	-49.5	179.1	-168.5	-173.7	29.2	0	0	111.9	C351 H352 K357 A358 M359 S376 L377 H380	C351-Q355 PolarHBondContact O-N 3.06Å; H352-Q355 PolarHBondContact O-N 3.42Å; Q355-K357 VanDerWaalsContact C-N 3.35Å; Q355-K357 PolarHBondContact O-N 3.22Å; Q355-A358 PolarHBondContact O-N 3.47Å; Q355-M359 PolarHBondContact O-N 3.46Å; Q355-S376 PolarHBondContact NE2-O 2.95Å; Q355-L377 HydrophobicContact CG-CD1 4.44Å; Q355-H380 PolarHBondContact OE1-CD2 3.14Å
356	V	94.6	Very high	93	Very high	11 Å²	11	66.3 Å²	66.3	7%	0.067	34%	0.338	C	S	.	.	H	α-helix	trans	-61.5	-43	177.8	173.2	0	0	0	0	111	H352 M359 K360 V448	H352-V356 WeakPolarHBondContact O-CG2 3.34Å; H352-V356 PolarHBondContact O-N 3.06Å; V356-M359 PolarHBondContact O-N 3.04Å; V356-K360 HydrophobicContact CG1-CD 4.49Å; V356-K360 WeakPolarHBondContact O-CG 3.38Å; V356-K360 PolarHBondContact O-N 2.95Å; V356-V448 HydrophobicContact CG1-CG2 4.01Å
357	K	93.6	Very high	92.2	Very high	139 Å²	139	70.3 Å²	70.3	60%	0.604	35%	0.354	S	S	*	.	H	α-helix	trans	-64.6	-45.1	177.4	-177.5	-178.8	177.9	-175.3	0	111.9	F353 Q354 Q355 M359 K360 N361	F353-K357 WeakPolarHBondContact O-CB 3.38Å; F353-K357 PolarHBondContact O-N 3.49Å; Q354-K357 PolarHBondContact O-N 3Å; Q355-K357 VanDerWaalsContact C-N 3.35Å; Q355-K357 PolarHBondContact O-N 3.22Å; K357-M359 VanDerWaalsContact C-N 3.34Å; K357-M359 PolarHBondContact O-N 3.38Å; K357-K360 PolarHBondContact O-N 3.29Å; K357-N361 VanDerWaalsContact O-CG 3.3Å; K357-N361 PolarHBondContact O-N 3.32Å; K357-N361 PolarHBondContact O-OD1 2.66Å
358	A	92.5	Very high	91.2	Very high	35 Å²	35	73.4 Å²	73.4	29%	0.289	39%	0.387	S	S	.	.	H	α-helix	trans	-60.1	-45.6	178.1	0	0	0	0	0	110.9	Q354 Q355 N361 Y362	Q354-A358 VanDerWaalsContact O-CB 3.27Å; Q354-A358 WeakPolarHBondContact O-CB 3.24Å; Q354-A358 PolarHBondContact O-N 2.8Å; Q355-A358 PolarHBondContact O-N 3.47Å; A358-N361 WeakPolarHBondContact O-CB 3.28Å; A358-N361 PolarHBondContact O-N 3.04Å; A358-N361 VanDerWaalsContact O-N 3.16Å; A358-Y362 HydrophobicContact CB-CE2 4.24Å; A358-Y362 WeakPolarHBondContact O-CD2 3.16Å; A358-Y362 PolarHBondContact O-N 3.27Å
359	M	96.4	Very high	90.8	Very high	4 Å²	4	73.7 Å²	73.7	2%	0.02	39%	0.389	C	S	.	.	H	α-helix	trans	-64	-43	177.1	-170.2	60.3	65.3	0	0	112.6	Q355 V356 K357 N361 Y362 L363 I369 K373 L377 V448 M452	Q355-M359 PolarHBondContact O-N 3.46Å; V356-M359 PolarHBondContact O-N 3.04Å; K357-M359 VanDerWaalsContact C-N 3.34Å; K357-M359 PolarHBondContact O-N 3.38Å; M359-N361 PolarHBondContact O-N 3.26Å; M359-Y362 PolarHBondContact O-N 2.97Å; M359-Y362 VanDerWaalsContact O-N 3.11Å; M359-Y362 HydrophobicContact SD-CD2 4.39Å; M359-L363 HydrophobicContact CG-CD1 4.4Å; M359-L363 HydrophobicContact CG-CG 4.48Å; M359-L363 VanDerWaalsContact O-CG 3.31Å; M359-L363 WeakPolarHBondContact O-CG 3.33Å; M359-L363 PolarHBondContact O-N 3.06Å; M359-I369 HydrophobicContact CE-CG2 3.93Å; M359-I369 HydrophobicContact SD-CD1 4.32Å; M359-I369 HydrophobicContact SD-CG2 3.75Å; M359-K373 HydrophobicContact CE-CB 4.08Å; M359-L377 HydrophobicContact CB-CD2 3.97Å; M359-L377 HydrophobicContact CE-CD2 4.32Å; M359-L377 HydrophobicContact CG-CD2 3.64Å; M359-V448 HydrophobicContact CB-CG1 3.75Å; M359-V448 HydrophobicContact CG-CG1 3.58Å; M359-M452 HydrophobicContact CE-CG 4.36Å; M359-M452 HydrophobicContact CE-SD 3.58Å; M359-M452 VanDerWaalsContact CE-SD 3.58Å; M359-M452 HydrophobicContact CG-CB 4.37Å; M359-M452 HydrophobicContact CG-CG 4.41Å; M359-M452 HydrophobicContact CG-SD 4.3Å; M359-M452 HydrophobicContact SD-CB 4.36Å; M359-M452 HydrophobicContact SD-CG 3.83Å; M359-M452 HydrophobicContact SD-SD 3.83Å
360	K	94.1	Very high	90.5	Very high	96 Å²	96	73.4 Å²	73.4	42%	0.417	39%	0.389	S	S	.	.	H	α-helix	trans	-55.7	-40.2	173	-77	-178.5	179.4	-175.9	0	112.3	V356 K357 L363 Q364 V448	V356-K360 HydrophobicContact CG1-CD 4.49Å; V356-K360 WeakPolarHBondContact O-CG 3.38Å; V356-K360 PolarHBondContact O-N 2.95Å; K357-K360 PolarHBondContact O-N 3.29Å; K360-L363 PolarHBondContact O-N 3.04Å; K360-Q364 WeakPolarHBondContact O-CG 3.38Å; K360-Q364 PolarHBondContact O-N 2.91Å; K360-V448 HydrophobicContact CD-CG2 3.97Å; K360-V448 HydrophobicContact CG-CG1 4.3Å; K360-V448 HydrophobicContact CG-CG2 3.5Å; K360-V448 VanDerWaalsContact CG-CG2 3.5Å
361	N	91.4	Very high	90.4	Very high	77 Å²	77	71.3 Å²	71.3	41%	0.412	37%	0.368	S	S	.	.	H	α-helix	trans	-66	-46.6	176.2	-67.4	-9.5	0	0	0	110.9	K357 A358 M359 L363 Q364 Q365	K357-N361 VanDerWaalsContact O-CG 3.3Å; K357-N361 PolarHBondContact O-N 3.32Å; K357-N361 PolarHBondContact O-OD1 2.66Å; A358-N361 WeakPolarHBondContact O-CB 3.28Å; A358-N361 PolarHBondContact O-N 3.04Å; A358-N361 VanDerWaalsContact O-N 3.16Å; M359-N361 PolarHBondContact O-N 3.26Å; N361-L363 VanDerWaalsContact C-N 3.26Å; N361-L363 PolarHBondContact O-N 3.26Å; N361-Q364 WeakPolarHBondContact O-CB 3.19Å; N361-Q364 PolarHBondContact O-N 3.4Å; N361-Q365 WeakPolarHBondContact O-CG 3.39Å; N361-Q365 PolarHBondContact O-N 2.97Å
362	Y	91.4	Very high	90.6	Very high	95 Å²	95	70.6 Å²	70.6	37%	0.373	36%	0.363	S	S	.	.	H	α-helix	trans	-57.3	-38.2	176.5	-68.6	-53.2	0	0	0	112.6	A358 M359 Q364 Q365 K373	A358-Y362 HydrophobicContact CB-CE2 4.24Å; A358-Y362 WeakPolarHBondContact O-CD2 3.16Å; A358-Y362 PolarHBondContact O-N 3.27Å; M359-Y362 PolarHBondContact O-N 2.97Å; M359-Y362 VanDerWaalsContact O-N 3.11Å; M359-Y362 HydrophobicContact SD-CD2 4.39Å; Y362-Q364 PolarHBondContact O-N 2.99Å; Y362-Q365 PolarHBondContact O-N 3.07Å; Y362-K373 HydrophobicContact CE2-CG 4.3Å
363	L	91.9	Very high	90.6	Very high	42 Å²	42	74.6 Å²	74.6	22%	0.22	38%	0.38	C	S	.	.	H	α-helix	trans	-65.6	-21.9	177.7	-66.2	171.4	0	0	0	114	M359 K360 N361 I369 V448 D451 M452 R455	M359-L363 HydrophobicContact CG-CD1 4.4Å; M359-L363 HydrophobicContact CG-CG 4.48Å; M359-L363 VanDerWaalsContact O-CG 3.31Å; M359-L363 WeakPolarHBondContact O-CG 3.33Å; M359-L363 PolarHBondContact O-N 3.06Å; K360-L363 PolarHBondContact O-N 3.04Å; N361-L363 VanDerWaalsContact C-N 3.26Å; N361-L363 PolarHBondContact O-N 3.26Å; L363-I369 HydrophobicContact CD2-CD1 3.58Å; L363-V448 HydrophobicContact CD1-CG1 4.17Å; L363-D451 HydrophobicContact CD1-CB 3.88Å; L363-M452 HydrophobicContact CD2-CB 4.16Å; L363-R455 HydrophobicContact CD2-CB 3.99Å; L363-R455 HydrophobicContact CD2-CG 4.24Å
364	Q	89.3	Confident	90.8	Very high	149 Å²	149	67.8 Å²	67.8	70%	0.696	35%	0.35	S	S	*	.	H	α-helix	trans	-89.4	-16.4	177.9	-67.3	175.2	-0.6	0	0	112.9	K360 N361 Y362	K360-Q364 WeakPolarHBondContact O-CG 3.38Å; K360-Q364 PolarHBondContact O-N 2.91Å; N361-Q364 WeakPolarHBondContact O-CB 3.19Å; N361-Q364 PolarHBondContact O-N 3.4Å; Y362-Q364 PolarHBondContact O-N 2.99Å
365	Q	85.9	Confident	91.1	Very high	73 Å²	73	60.6 Å²	60.6	34%	0.341	32%	0.317	S	S	.	.	S	Bend	trans	-89.9	149.7	-178.7	-62.2	-56.7	-39.8	0	0	111	Y83 N361 Y362 E367	Y83-Q365 PolarHBondContact OH-OE1 3.02Å; N361-Q365 WeakPolarHBondContact O-CG 3.39Å; N361-Q365 PolarHBondContact O-N 2.97Å; Y362-Q365 PolarHBondContact O-N 3.07Å; Q365-E367 VanDerWaalsContact CB-OE2 3.25Å; Q365-E367 WeakPolarHBondContact CB-OE2 3.31Å; Q365-E367 PolarHBondContact O-N 3.49Å
366	P	77.3	Confident	91.3	Very high	96 Å²	96	59.4 Å²	59.4	62%	0.623	31%	0.311	S	S	*	.	S	Bend	trans	-69.6	-20.8	179.7	28.1	-34.8	0	0	0	113.3	R455	P366-R455 PolarHBondContact O-NH2 3.48Å
367	E	81.1	Confident	91.5	Very high	98 Å²	98	58.9 Å²	58.9	46%	0.458	31%	0.308	S	S	.	.	S	Bend	trans	-62.1	159.7	179.9	-67.2	74.1	-161.7	0	0	112.9	Q365	Q365-E367 VanDerWaalsContact CB-OE2 3.25Å; Q365-E367 WeakPolarHBondContact CB-OE2 3.31Å; Q365-E367 PolarHBondContact O-N 3.49Å
368	G	78.8	Confident	91.7	Very high	71 Å²	71	52.2 Å²	52.2	73%	0.732	28%	0.279	S	S	*	.	P	Polyproline II helix	trans	-68.1	151.9	173	0	0	0	0	0	111.7
369	I	89.7	Confident	92	Very high	18 Å²	18	50.6 Å²	50.6	9%	0.092	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-76.2	129.7	174.5	-54.5	-174.9	0	0	0	108.8	M359 L363 A374 M452 R455 I456	M359-I369 HydrophobicContact CE-CG2 3.93Å; M359-I369 HydrophobicContact SD-CD1 4.32Å; M359-I369 HydrophobicContact SD-CG2 3.75Å; L363-I369 HydrophobicContact CD2-CD1 3.58Å; I369-A374 HydrophobicContact CG2-CB 3.96Å; I369-M452 HydrophobicContact CD1-CB 4.35Å; I369-M452 HydrophobicContact CD1-CG 3.65Å; I369-M452 HydrophobicContact CG2-CG 4.4Å; I369-R455 HydrophobicContact CD1-CB 4.18Å; I369-R455 HydrophobicContact CD1-CG 3.93Å; I369-R455 HydrophobicContact CG1-CG 4.42Å; I369-I456 HydrophobicContact CB-CD1 4.4Å; I369-I456 HydrophobicContact CB-CG1 4.47Å; I369-I456 HydrophobicContact CD1-CD1 4.19Å; I369-I456 HydrophobicContact CD1-CG1 4.02Å
370	D	89.9	Confident	92.1	Very high	77 Å²	77	50.4 Å²	50.4	41%	0.412	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-65.4	133.5	176	-176.8	45.1	0	0	0	111.7	P372 K373 A374	D370-P372 WeakPolarHBondContact OD1-CD 3.44Å; D370-P372 WeakPolarHBondContact OD2-CD 3.34Å; D370-K373 HydrophobicContact CB-CB 4.36Å; D370-K373 HydrophobicContact CB-CG 4.14Å; D370-K373 PolarHBondContact O-N 3.44Å; D370-A374 PolarHBondContact O-N 2.97Å
371	K	92.7	Very high	92.4	Very high	51 Å²	51	45.8 Å²	45.8	22%	0.222	25%	0.245	C	C	.	.	H	α-helix	trans	-62.6	-54.6	-173.3	-86.1	-173.6	173.3	-154.3	0	112.5	W259 E264 K373 A374 L375	W259-K371 HydrophobicContact CE3-CG 4.48Å; W259-K371 HydrophobicContact CH2-CB 4.09Å; W259-K371 HydrophobicContact CH2-CD 4.45Å; W259-K371 HydrophobicContact CH2-CG 3.29Å; W259-K371 HydrophobicContact CZ2-CD 4.37Å; W259-K371 HydrophobicContact CZ2-CG 3.44Å; W259-K371 VanDerWaalsContact CZ2-CG 3.44Å; W259-K371 HydrophobicContact CZ3-CG 3.82Å; W259-K371 PolarHBondContact O-NZ 3.32Å; E264-K371 WeakPolarHBondContact OE1-CD 3.32Å; E264-K371 IonicContact OE1-NZ 3.86Å; E264-K371 PolarHBondContact OE1-NZ 3.05Å; E264-K371 IonicContact OE2-NZ 3.44Å; E264-K371 PolarHBondContact OE2-NZ 2.94Å; K371-K373 VanDerWaalsContact C-N 3.28Å; K371-K373 PolarHBondContact O-N 3Å; K371-A374 PolarHBondContact O-N 3.49Å; K371-A374 VanDerWaalsContact O-N 3.13Å; K371-L375 WeakPolarHBondContact O-CB 3.46Å; K371-L375 VanDerWaalsContact O-CG 3.31Å; K371-L375 WeakPolarHBondContact O-CG 3.46Å; K371-L375 PolarHBondContact O-N 3.34Å
372	P	95.4	Very high	92.7	Very high	25 Å²	25	42.2 Å²	42.2	16%	0.162	23%	0.226	C	C	.	.	H	α-helix	trans	-53.2	-41.6	176	-25.3	29.9	0	0	0	113.7	L339 E342 D370 L375 S376	L339-P372 HydrophobicContact CD2-CB 4.22Å; L339-P372 HydrophobicContact CD2-CG 3.88Å; E342-P372 HydrophobicContact CG-CB 4.33Å; E342-P372 WeakPolarHBondContact OE1-CB 3.5Å; E342-P372 WeakPolarHBondContact OE2-CB 3.37Å; D370-P372 WeakPolarHBondContact OD1-CD 3.44Å; D370-P372 WeakPolarHBondContact OD2-CD 3.34Å; P372-L375 PolarHBondContact O-N 3.11Å; P372-S376 VanDerWaalsContact O-CB 3.25Å; P372-S376 WeakPolarHBondContact O-CB 3.31Å; P372-S376 PolarHBondContact O-N 3.27Å; P372-S376 PolarHBondContact O-OG 3.29Å
373	K	96	Very high	93.1	Very high	87 Å²	87	38.5 Å²	38.5	38%	0.378	21%	0.212	S	C	.	.	H	α-helix	trans	-65.7	-41.5	176.5	-59.3	-53.3	176.9	-153.8	0	113.2	E342 M359 Y362 D370 K371 L377	E342-K373 WeakPolarHBondContact OE1-CD 3.46Å; E342-K373 WeakPolarHBondContact OE1-CE 3.23Å; E342-K373 IonicContact OE1-NZ 2.79Å; E342-K373 PolarHBondContact OE1-NZ 3.24Å; M359-K373 HydrophobicContact CE-CB 4.08Å; Y362-K373 HydrophobicContact CE2-CG 4.3Å; D370-K373 HydrophobicContact CB-CB 4.36Å; D370-K373 HydrophobicContact CB-CG 4.14Å; D370-K373 PolarHBondContact O-N 3.44Å; K371-K373 VanDerWaalsContact C-N 3.28Å; K371-K373 PolarHBondContact O-N 3Å; K373-L377 PolarHBondContact O-N 3.47Å
374	A	97.8	Very high	93.4	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-64.7	-44.7	177.1	0	0	0	0	0	112	W259 I369 D370 K371 L377 L378 M452 I456	W259-A374 HydrophobicContact CH2-CB 3.97Å; W259-A374 HydrophobicContact CZ3-CB 3.96Å; I369-A374 HydrophobicContact CG2-CB 3.96Å; D370-A374 PolarHBondContact O-N 2.97Å; K371-A374 PolarHBondContact O-N 3.49Å; K371-A374 VanDerWaalsContact O-N 3.13Å; A374-L377 PolarHBondContact O-N 3.35Å; A374-L378 WeakPolarHBondContact O-CB 3.28Å; A374-L378 PolarHBondContact O-N 3.03Å; A374-M452 VanDerWaalsContact CA-SD 3.55Å; A374-M452 HydrophobicContact CB-CE 4.1Å; A374-M452 HydrophobicContact CB-SD 3.64Å; A374-I456 HydrophobicContact CB-CD1 4.18Å
375	L	98.4	Very high	93.9	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-64.4	-43.3	177.4	-68.2	179.5	0	0	0	111.4	L260 M268 L339 M343 K371 P372 L377 L378 L379	L260-L375 HydrophobicContact CD1-CD2 3.8Å; L260-L375 HydrophobicContact CD2-CD2 3.75Å; L260-L375 HydrophobicContact CD2-CG 4.46Å; L260-L375 HydrophobicContact CG-CD2 4.44Å; M268-L375 HydrophobicContact CE-CB 3.49Å; M268-L375 VanDerWaalsContact CE-CB 3.49Å; M268-L375 HydrophobicContact CE-CD2 3.46Å; M268-L375 VanDerWaalsContact CE-CD2 3.46Å; M268-L375 HydrophobicContact CE-CG 4Å; M268-L375 VanDerWaalsContact CE-O 3.27Å; M268-L375 WeakPolarHBondContact CE-O 3.38Å; L339-L375 HydrophobicContact CD2-CD1 4.26Å; M343-L375 HydrophobicContact CG-CB 4.12Å; M343-L375 HydrophobicContact SD-CB 3.72Å; M343-L375 HydrophobicContact SD-CD1 4.49Å; K371-L375 WeakPolarHBondContact O-CB 3.46Å; K371-L375 VanDerWaalsContact O-CG 3.31Å; K371-L375 WeakPolarHBondContact O-CG 3.46Å; K371-L375 PolarHBondContact O-N 3.34Å; P372-L375 PolarHBondContact O-N 3.11Å; L375-L377 VanDerWaalsContact C-N 3.35Å; L375-L377 PolarHBondContact O-N 3.44Å; L375-L378 WeakPolarHBondContact O-CB 3.48Å; L375-L378 PolarHBondContact O-N 3.35Å; L375-L378 VanDerWaalsContact O-N 3.15Å; L375-L379 PolarHBondContact O-N 3.46Å
376	S	98.7	Very high	94.5	Very high	3 Å²	3	26.6 Å²	26.6	2%	0.021	16%	0.156	C	C	.	.	H	α-helix	trans	-58.9	-43.9	175.7	-62.1	0	0	0	0	112.3	Q355 P372 L378 H380	Q355-S376 PolarHBondContact NE2-O 2.95Å; P372-S376 VanDerWaalsContact O-CB 3.25Å; P372-S376 WeakPolarHBondContact O-CB 3.31Å; P372-S376 PolarHBondContact O-N 3.27Å; P372-S376 PolarHBondContact O-OG 3.29Å; S376-L378 VanDerWaalsContact C-N 3.33Å; S376-H380 WeakPolarHBondContact O-CB 3.21Å; S376-H380 PolarHBondContact O-N 3.49Å
377	L	98.8	Very high	95.5	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-67.5	-36.1	177	-178.4	63.9	0	0	0	111.7	Q355 M359 K373 A374 L375 T381 T445 V448 L449 M452	Q355-L377 HydrophobicContact CG-CD1 4.44Å; M359-L377 HydrophobicContact CB-CD2 3.97Å; M359-L377 HydrophobicContact CE-CD2 4.32Å; M359-L377 HydrophobicContact CG-CD2 3.64Å; K373-L377 PolarHBondContact O-N 3.47Å; A374-L377 PolarHBondContact O-N 3.35Å; L375-L377 VanDerWaalsContact C-N 3.35Å; L375-L377 PolarHBondContact O-N 3.44Å; L377-T381 WeakPolarHBondContact O-CB 3.43Å; L377-T381 PolarHBondContact O-N 3.07Å; L377-T381 PolarHBondContact O-OG1 2.89Å; L377-T445 HydrophobicContact CD1-CG2 4.11Å; L377-V448 HydrophobicContact CD2-CG1 3.88Å; L377-L449 HydrophobicContact CG-CD1 4.3Å; L377-M452 HydrophobicContact CB-SD 4.49Å; L377-M452 HydrophobicContact CD2-SD 4.02Å
378	L	98.8	Very high	96.3	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-63.7	-48.3	177.1	-170.5	158.9	0	0	0	111.2	V247 L250 L251 M268 A374 L375 S376 T381 A382 L449 M453	V247-L378 HydrophobicContact CB-CD2 4.34Å; V247-L378 HydrophobicContact CG1-CD2 4.16Å; V247-L378 HydrophobicContact CG2-CD2 3.96Å; L250-L378 HydrophobicContact CB-CD1 4.42Å; L250-L378 HydrophobicContact CB-CD2 4.24Å; L250-L378 HydrophobicContact CB-CG 4.35Å; L250-L378 HydrophobicContact CD1-CD2 3.98Å; L250-L378 HydrophobicContact CD1-CG 4.07Å; L251-L378 HydrophobicContact CD2-CD1 3.92Å; M268-L378 HydrophobicContact CE-CB 4.46Å; M268-L378 HydrophobicContact CE-CD2 4.21Å; M268-L378 HydrophobicContact SD-CD2 4.08Å; A374-L378 WeakPolarHBondContact O-CB 3.28Å; A374-L378 PolarHBondContact O-N 3.03Å; L375-L378 WeakPolarHBondContact O-CB 3.48Å; L375-L378 PolarHBondContact O-N 3.35Å; L375-L378 VanDerWaalsContact O-N 3.15Å; S376-L378 VanDerWaalsContact C-N 3.33Å; L378-T381 PolarHBondContact O-N 3.03Å; L378-A382 PolarHBondContact O-N 3.35Å; L378-L449 HydrophobicContact CB-CD1 4.16Å; L378-L449 HydrophobicContact CG-CD1 4.49Å; L378-M453 HydrophobicContact CD1-CE 3.63Å; L378-M453 HydrophobicContact CG-CE 3.99Å
379	L	98.9	Very high	97.3	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-61.7	-48.1	176.3	178.8	59.8	0	0	0	110.9	V243 V247 M268 A271 A272 M343 T347 L375 T381 A382 D383	V243-L379 HydrophobicContact CG1-CD1 3.7Å; V247-L379 HydrophobicContact CG2-CD1 4Å; M268-L379 HydrophobicContact SD-CB 4.31Å; A271-L379 HydrophobicContact CB-CD2 4.06Å; A272-L379 HydrophobicContact CB-CD1 3.74Å; M343-L379 HydrophobicContact CB-CD2 3.83Å; T347-L379 HydrophobicContact CG2-CD2 3.91Å; T347-L379 HydrophobicContact CG2-CG 3.95Å; L375-L379 PolarHBondContact O-N 3.46Å; L379-T381 VanDerWaalsContact C-N 3.28Å; L379-T381 PolarHBondContact O-N 3.19Å; L379-A382 WeakPolarHBondContact O-CB 3.17Å; L379-A382 PolarHBondContact O-N 3.26Å; L379-D383 PolarHBondContact O-N 2.94Å
380	H	98.8	Very high	97.7	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-56	-43	177.1	-171.5	45.3	0	0	0	112.5	M349 H352 Q355 S376 A382 D383 I384	M349-H380 PolarHBondContact SD-CE1 3.04Å; H352-H380 AromaticContact CG-NE2 3.82Å; H352-H380 AromaticContact ND1-CD2 3.85Å; H352-H380 AromaticContact ND1-NE2 3.17Å; H352-H380 PolarHBondContact ND1-NE2 3.08Å; H352-H380 VanDerWaalsContact ND1-NE2 3.17Å; Q355-H380 PolarHBondContact OE1-CD2 3.14Å; S376-H380 WeakPolarHBondContact O-CB 3.21Å; S376-H380 PolarHBondContact O-N 3.49Å; H380-A382 VanDerWaalsContact C-N 3.33Å; H380-A382 PolarHBondContact O-N 3.34Å; H380-D383 WeakPolarHBondContact O-CB 3.04Å; H380-D383 PolarHBondContact O-N 3.08Å; H380-I384 WeakPolarHBondContact O-CG1 3.16Å; H380-I384 PolarHBondContact O-N 2.91Å; H380-I384 VanDerWaalsContact O-N 3.15Å
381	T	98.8	Very high	98.1	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-68	-34.7	178.5	-49.7	0	0	0	0	112.1	L377 L378 L379 S385 T445 F446 L449	L377-T381 WeakPolarHBondContact O-CB 3.43Å; L377-T381 PolarHBondContact O-N 3.07Å; L377-T381 PolarHBondContact O-OG1 2.89Å; L378-T381 PolarHBondContact O-N 3.03Å; L379-T381 VanDerWaalsContact C-N 3.28Å; L379-T381 PolarHBondContact O-N 3.19Å; T381-S385 WeakPolarHBondContact O-CA 3.42Å; T381-S385 WeakPolarHBondContact O-CB 3.17Å; T381-S385 PolarHBondContact O-N 3.17Å; T381-T445 HydrophobicContact CG2-CG2 4.07Å; T381-T445 VanDerWaalsContact OG1-CG2 3.28Å; T381-T445 WeakPolarHBondContact OG1-CG2 3.44Å; T381-F446 HydrophobicContact CG2-CD1 4.21Å; T381-F446 HydrophobicContact CG2-CD2 3.63Å; T381-F446 HydrophobicContact CG2-CE1 4.08Å; T381-F446 HydrophobicContact CG2-CE2 3.47Å; T381-F446 VanDerWaalsContact CG2-CE2 3.47Å; T381-F446 HydrophobicContact CG2-CG 4.01Å; T381-F446 HydrophobicContact CG2-CZ 3.72Å; T381-L449 HydrophobicContact CG2-CB 4.4Å; T381-L449 HydrophobicContact CG2-CD2 3.51Å; T381-L449 HydrophobicContact CG2-CG 4.44Å
382	A	98.9	Very high	98.3	Very high	1 Å²	1	17 Å²	17	1%	0.008	9%	0.087	C	C	.	.	H	α-helix	trans	-67	-39.4	176	0	0	0	0	0	111.8	V243 T246 V247 L250 L378 L379 H380 S385	V243-A382 HydrophobicContact CG1-CB 4.1Å; T246-A382 HydrophobicContact CG2-CB 3.77Å; V247-A382 HydrophobicContact CG2-CB 3.62Å; L250-A382 HydrophobicContact CD1-CB 4.25Å; L378-A382 PolarHBondContact O-N 3.35Å; L379-A382 WeakPolarHBondContact O-CB 3.17Å; L379-A382 PolarHBondContact O-N 3.26Å; H380-A382 VanDerWaalsContact C-N 3.33Å; H380-A382 PolarHBondContact O-N 3.34Å; A382-S385 WeakPolarHBondContact O-CB 3.48Å; A382-S385 PolarHBondContact O-N 3.01Å; A382-S385 PolarHBondContact O-OG 3.04Å
383	D	98.9	Very high	98.5	Very high	18 Å²	18	16.2 Å²	16.2	10%	0.096	8%	0.082	C	C	.	.	H	α-helix	trans	-59.3	-51.8	175.5	-176.4	6.1	0	0	0	111.4	H239 V243 H275 L379 H380 S385	H239-D383 IonicContact CE1-OD1 2.61Å; H239-D383 PolarHBondContact CE1-OD1 3.14Å; H239-D383 IonicContact NE2-OD1 3.57Å; H239-D383 PolarHBondContact NE2-OD1 2.99Å; V243-D383 HydrophobicContact CG2-CB 4.47Å; H275-D383 IonicContact NE2-OD1 2.69Å; L379-D383 PolarHBondContact O-N 2.94Å; H380-D383 WeakPolarHBondContact O-CB 3.04Å; H380-D383 PolarHBondContact O-N 3.08Å; D383-S385 PolarHBondContact O-N 3.46Å; D383-S385 VanDerWaalsContact O-N 3.14Å
384	I	98.7	Very high	98.6	Very high	8 Å²	8	12.1 Å²	12.1	4%	0.041	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	19.8	178.3	70.9	172.9	0	0	0	114.5	M349 H380 H386 P387 F437 I441 T445	M349-I384 HydrophobicContact SD-CG2 3.91Å; H380-I384 WeakPolarHBondContact O-CG1 3.16Å; H380-I384 PolarHBondContact O-N 2.91Å; H380-I384 VanDerWaalsContact O-N 3.15Å; I384-H386 PolarHBondContact O-N 2.77Å; I384-P387 VanDerWaalsContact O-CD 3.23Å; I384-P387 WeakPolarHBondContact O-CD 3.48Å; I384-F437 HydrophobicContact CB-CZ 4.22Å; I384-F437 HydrophobicContact CG2-CZ 4.35Å; I384-I441 HydrophobicContact CD1-CG2 3.88Å; I384-T445 HydrophobicContact CD1-CG2 4.11Å
385	S	98.7	Very high	98.6	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.007	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-17	-168	67.7	0	0	0	0	115.4	T381 A382 D383 P387 A388 K389	T381-S385 WeakPolarHBondContact O-CA 3.42Å; T381-S385 WeakPolarHBondContact O-CB 3.17Å; T381-S385 PolarHBondContact O-N 3.17Å; A382-S385 WeakPolarHBondContact O-CB 3.48Å; A382-S385 PolarHBondContact O-N 3.01Å; A382-S385 PolarHBondContact O-OG 3.04Å; D383-S385 PolarHBondContact O-N 3.46Å; D383-S385 VanDerWaalsContact O-N 3.14Å; S385-P387 VanDerWaalsContact C-N 3.29Å; S385-P387 VanDerWaalsContact O-N 3.1Å; S385-A388 WeakPolarHBondContact O-CA 3.45Å; S385-A388 WeakPolarHBondContact O-CB 3.49Å; S385-A388 PolarHBondContact O-N 3.01Å; S385-K389 VanDerWaalsContact OG-CE 3.22Å; S385-K389 WeakPolarHBondContact OG-CE 3.22Å
386	H	98.6	Very high	98.7	Very high	5 Å²	5	22 Å²	22	2%	0.023	10%	0.104	C	C	.	.	G	3₁₀ helix	trans	-55.5	-30.6	-171.3	76.2	94.4	0	0	0	115.2	I384 A388 K389 H394 W397	I384-H386 PolarHBondContact O-N 2.77Å; H386-A388 PolarHBondContact O-N 3.36Å; H386-K389 PolarHBondContact O-N 3.41Å; H386-H394 AromaticContact CE1-CE1 3.81Å; H386-H394 AromaticContact CE1-ND1 3.69Å; H386-H394 AromaticContact ND1-CE1 3.66Å; H386-H394 AromaticContact ND1-ND1 3.08Å; H386-H394 PolarHBondContact ND1-ND1 3.47Å; H386-H394 WeakPolarHBondContact O-CB 3.41Å; H386-H394 PolarHBondContact O-ND1 3.3Å; H386-W397 HydrophobicContact CB-CB 3.8Å; H386-W397 HydrophobicContact CB-CG 3.92Å
387	P	98.8	Very high	98.7	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-71.4	-15.3	174.8	-19.4	37.5	0	0	0	114.7	I384 S385 H394 F437 I438 V442 N524	I384-P387 VanDerWaalsContact O-CD 3.23Å; I384-P387 WeakPolarHBondContact O-CD 3.48Å; S385-P387 VanDerWaalsContact C-N 3.29Å; S385-P387 VanDerWaalsContact O-N 3.1Å; P387-H394 VanDerWaalsContact CA-ND1 3.29Å; P387-H394 WeakPolarHBondContact CA-ND1 3.33Å; P387-F437 HydrophobicContact CG-CD1 4Å; P387-F437 HydrophobicContact CG-CE1 3.9Å; P387-I438 HydrophobicContact CB-CD1 4.19Å; P387-I438 HydrophobicContact CB-CG1 3.76Å; P387-V442 HydrophobicContact CB-CG1 4.37Å; P387-V442 HydrophobicContact CB-CG2 4.09Å; P387-V442 HydrophobicContact CG-CG2 3.8Å; P387-N524 PolarHBondContact O-ND2 3.08Å
388	A	98.6	Very high	98.7	Very high	0 Å²	0	22 Å²	22	0%	0	10%	0.104	C	C	.	.	G	3₁₀ helix	trans	-95.5	3.4	173.3	0	0	0	0	0	113	W176 S385 H386 F446 W517 E520 V521	W176-A388 HydrophobicContact CZ2-CB 4.02Å; W176-A388 PolarHBondContact NE1-O 3.37Å; S385-A388 WeakPolarHBondContact O-CA 3.45Å; S385-A388 WeakPolarHBondContact O-CB 3.49Å; S385-A388 PolarHBondContact O-N 3.01Å; H386-A388 PolarHBondContact O-N 3.36Å; A388-F446 HydrophobicContact CB-CE1 3.98Å; A388-F446 HydrophobicContact CB-CE2 4.08Å; A388-F446 HydrophobicContact CB-CZ 3.67Å; A388-W517 HydrophobicContact CB-CB 4.21Å; A388-E520 WeakPolarHBondContact O-CB 3.27Å; A388-E520 WeakPolarHBondContact O-CG 3.38Å; A388-V521 HydrophobicContact CB-CG2 3.58Å
389	K	98.6	Very high	98.6	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.125	C	C	.	.	S	Bend	trans	-94.1	172	174.1	-60.8	-177.9	-171.6	-91.6	0	110.8	D242 T246 S385 H386 L393 N524	D242-K389 VanDerWaalsContact OD1-CE 3.24Å; D242-K389 WeakPolarHBondContact OD1-CE 3.3Å; D242-K389 IonicContact OD1-NZ 3.61Å; D242-K389 PolarHBondContact OD1-NZ 2.93Å; D242-K389 VanDerWaalsContact OD2-CE 3.3Å; D242-K389 WeakPolarHBondContact OD2-CE 3.31Å; D242-K389 IonicContact OD2-NZ 3.99Å; T246-K389 PolarHBondContact OG1-NZ 3.31Å; S385-K389 VanDerWaalsContact OG-CE 3.22Å; S385-K389 WeakPolarHBondContact OG-CE 3.22Å; H386-K389 PolarHBondContact O-N 3.41Å; K389-L393 HydrophobicContact CB-CB 4.2Å; K389-L393 HydrophobicContact CB-CD1 4.36Å; K389-L393 HydrophobicContact CD-CD1 4.35Å; K389-N524 PolarHBondContact O-ND2 3.09Å
390	S	98.4	Very high	98.6	Very high	32 Å²	32	26.7 Å²	26.7	22%	0.224	13%	0.134	C	C	.	.			trans	-52.7	147	175.1	63.4	0	0	0	0	112.1	S177 D392 L393 H394 E520	S177-S390 PolarHBondContact OG-N 3.27Å; S390-D392 PolarHBondContact O-N 2.97Å; S390-D392 VanDerWaalsContact O-N 3.1Å; S390-L393 PolarHBondContact O-N 3.5Å; S390-H394 PolarHBondContact O-N 3.25Å; S390-E520 VanDerWaalsContact CA-OE2 3.31Å; S390-E520 WeakPolarHBondContact CA-OE2 3.44Å
391	W	98.4	Very high	98.6	Very high	51 Å²	51	27.9 Å²	27.9	19%	0.193	14%	0.14	C	C	.	.	H	α-helix	trans	-48.6	-42.9	-177.1	172.8	-100	0	0	0	114	L393 H394 H395 N524 R527 W528	W391-L393 VanDerWaalsContact C-N 3.34Å; W391-L393 PolarHBondContact O-N 3.02Å; W391-H394 PolarHBondContact O-N 2.95Å; W391-H395 HydrophobicContact CD2-CB 4.24Å; W391-H395 AromaticContact CH2-CD2 3.92Å; W391-H395 HydrophobicContact CZ2-CB 4.08Å; W391-H395 AromaticContact CZ2-CD2 3.44Å; W391-H395 VanDerWaalsContact CZ2-CD2 3.44Å; W391-H395 WeakPolarHBondContact CZ2-CD2 3.32Å; W391-H395 AromaticContact CZ2-CG 4Å; W391-H395 WeakPolarHBondContact O-CB 3.23Å; W391-H395 PolarHBondContact O-N 3.21Å; W391-N524 WeakPolarHBondContact CA-OD1 3.48Å; W391-N524 HydrophobicContact CE3-CB 4.47Å; W391-R527 VanDerWaalsContact CB-NH1 3.32Å; W391-R527 HydrophobicContact CD2-CB 4.43Å; W391-R527 HydrophobicContact CD2-CG 4.5Å; W391-R527 HydrophobicContact CE3-CB 3.86Å; W391-R527 HydrophobicContact CE3-CG 4.26Å; W391-R527 HydrophobicContact CH2-CB 3.94Å; W391-R527 HydrophobicContact CZ2-CB 4.49Å; W391-R527 HydrophobicContact CZ3-CB 3.59Å; W391-R527 HydrophobicContact CZ3-CG 4.46Å; W391-W528 HydrophobicContact CH2-CD2 4.02Å; W391-W528 AromaticContact CH2-CE2 3.79Å; W391-W528 HydrophobicContact CH2-CE3 4.25Å; W391-W528 HydrophobicContact CH2-CH2 4.07Å; W391-W528 AromaticContact CH2-CZ2 3.82Å; W391-W528 HydrophobicContact CH2-CZ2 3.82Å; W391-W528 HydrophobicContact CH2-CZ3 4.28Å; W391-W528 HydrophobicContact CZ3-CD2 4.14Å; W391-W528 AromaticContact CZ3-CE2 3.72Å; W391-W528 HydrophobicContact CZ3-CG 4.39Å; W391-W528 HydrophobicContact CZ3-CZ2 4.05Å; W391-W528 AromaticContact CZ3-NE1 3.75Å
392	D	98.3	Very high	98.6	Very high	125 Å²	125	28.6 Å²	28.6	67%	0.668	14%	0.144	S	C	*	.	H	α-helix	trans	-64.8	-39.5	-176.2	-60.4	-33.9	0	0	0	111.8	S390 R396	S390-D392 PolarHBondContact O-N 2.97Å; S390-D392 VanDerWaalsContact O-N 3.1Å; D392-R396 VanDerWaalsContact O-CB 3.31Å; D392-R396 WeakPolarHBondContact O-CB 3.34Å; D392-R396 PolarHBondContact O-N 3.41Å
393	L	98.4	Very high	98.5	Very high	10 Å²	10	31.6 Å²	31.6	5%	0.052	16%	0.157	C	C	.	.	H	α-helix	trans	-69.8	-49.5	173.4	-67.9	176.8	0	0	0	110.7	F181 K389 S390 W391 H395 R396 W397	F181-L393 HydrophobicContact CD2-CD2 3.7Å; F181-L393 HydrophobicContact CE2-CD2 4.01Å; K389-L393 HydrophobicContact CB-CB 4.2Å; K389-L393 HydrophobicContact CB-CD1 4.36Å; K389-L393 HydrophobicContact CD-CD1 4.35Å; S390-L393 PolarHBondContact O-N 3.5Å; W391-L393 VanDerWaalsContact C-N 3.34Å; W391-L393 PolarHBondContact O-N 3.02Å; L393-H395 PolarHBondContact O-N 2.83Å; L393-R396 PolarHBondContact O-N 2.88Å; L393-W397 VanDerWaalsContact O-CD1 3.32Å; L393-W397 PolarHBondContact O-N 3.48Å
394	H	98.8	Very high	98.5	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-56	-52.2	-179	174.4	42.7	0	0	0	111.6	H386 P387 S390 W391 R396 W397 T398 Q434 W528	H386-H394 AromaticContact CE1-CE1 3.81Å; H386-H394 AromaticContact CE1-ND1 3.69Å; H386-H394 AromaticContact ND1-CE1 3.66Å; H386-H394 AromaticContact ND1-ND1 3.08Å; H386-H394 PolarHBondContact ND1-ND1 3.47Å; H386-H394 WeakPolarHBondContact O-CB 3.41Å; H386-H394 PolarHBondContact O-ND1 3.3Å; P387-H394 VanDerWaalsContact CA-ND1 3.29Å; P387-H394 WeakPolarHBondContact CA-ND1 3.33Å; S390-H394 PolarHBondContact O-N 3.25Å; W391-H394 PolarHBondContact O-N 2.95Å; H394-R396 VanDerWaalsContact C-N 3.35Å; H394-R396 PolarHBondContact O-N 2.84Å; H394-W397 PolarHBondContact O-N 2.87Å; H394-T398 PolarHBondContact CE1-OG1 3.06Å; H394-T398 VanDerWaalsContact CE1-OG1 3.22Å; H394-T398 PolarHBondContact O-N 3.32Å; H394-T398 PolarHBondContact O-OG1 3.43Å; H394-T398 VanDerWaalsContact O-OG1 3.1Å; H394-Q434 PolarHBondContact CE1-OE1 3.24Å; H394-W528 AromaticContact CD2-NE1 3.55Å; H394-W528 AromaticContact CE1-NE1 3.9Å; H394-W528 AromaticContact NE2-CD1 3.74Å; H394-W528 AromaticContact NE2-CE2 3.8Å; H394-W528 AromaticContact NE2-NE1 2.83Å; H394-W528 PolarHBondContact NE2-NE1 3.42Å
395	H	98.6	Very high	98.5	Very high	77 Å²	77	32.7 Å²	32.7	36%	0.356	16%	0.161	S	C	.	.	H	α-helix	trans	-62.7	-40.7	-178.6	179.8	-86.5	0	0	0	111.9	W391 L393 T398 T399 W528	W391-H395 HydrophobicContact CD2-CB 4.24Å; W391-H395 AromaticContact CH2-CD2 3.92Å; W391-H395 HydrophobicContact CZ2-CB 4.08Å; W391-H395 AromaticContact CZ2-CD2 3.44Å; W391-H395 VanDerWaalsContact CZ2-CD2 3.44Å; W391-H395 WeakPolarHBondContact CZ2-CD2 3.32Å; W391-H395 AromaticContact CZ2-CG 4Å; W391-H395 WeakPolarHBondContact O-CB 3.23Å; W391-H395 PolarHBondContact O-N 3.21Å; L393-H395 PolarHBondContact O-N 2.83Å; H395-T398 PolarHBondContact O-N 3.02Å; H395-T399 WeakPolarHBondContact O-CB 3.35Å; H395-T399 PolarHBondContact O-N 3.31Å; H395-T399 PolarHBondContact O-OG1 2.68Å; H395-W528 AromaticContact CD2-CH2 3.9Å
396	R	98.6	Very high	98.5	Very high	130 Å²	130	34 Å²	34	49%	0.491	17%	0.167	S	C	.	.	H	α-helix	trans	-63.1	-45.5	175.9	-174.4	168.8	176.7	174.6	-1.1	111.1	F181 D392 L393 H394 T399 S400	F181-R396 VanDerWaalsContact CD1-NE 3.28Å; F181-R396 HydrophobicContact CD2-CG 4.47Å; F181-R396 HydrophobicContact CE1-CG 4.16Å; F181-R396 HydrophobicContact CE2-CB 4.16Å; F181-R396 HydrophobicContact CE2-CG 3.89Å; F181-R396 HydrophobicContact CZ-CB 4.33Å; F181-R396 HydrophobicContact CZ-CG 3.7Å; D392-R396 VanDerWaalsContact O-CB 3.31Å; D392-R396 WeakPolarHBondContact O-CB 3.34Å; D392-R396 PolarHBondContact O-N 3.41Å; L393-R396 PolarHBondContact O-N 2.88Å; H394-R396 VanDerWaalsContact C-N 3.35Å; H394-R396 PolarHBondContact O-N 2.84Å; R396-T399 PolarHBondContact O-N 3.08Å; R396-S400 PolarHBondContact O-N 3.21Å
397	W	98.8	Very high	98.5	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.008	18%	0.184	C	C	.	.	H	α-helix	trans	-62.4	-44.6	175.1	-80.1	132	0	0	0	112.9	V180 F181 Y234 I238 H239 D242 H386 L393 H394 T399 S400 L401	V180-W397 HydrophobicContact CG1-CZ2 3.94Å; F181-W397 AromaticContact CE1-CH2 3.99Å; F181-W397 HydrophobicContact CE1-CH2 3.99Å; F181-W397 HydrophobicContact CE1-CZ2 4.07Å; F181-W397 HydrophobicContact CE1-CZ3 4.32Å; F181-W397 HydrophobicContact CE2-CD2 4.23Å; F181-W397 AromaticContact CE2-CE2 3.77Å; F181-W397 HydrophobicContact CE2-CG 4.49Å; F181-W397 HydrophobicContact CE2-CZ2 4.05Å; F181-W397 AromaticContact CE2-NE1 3.86Å; F181-W397 AromaticContact CZ-CD2 3.67Å; F181-W397 HydrophobicContact CZ-CD2 3.67Å; F181-W397 AromaticContact CZ-CE2 3.45Å; F181-W397 VanDerWaalsContact CZ-CE2 3.45Å; F181-W397 AromaticContact CZ-CE3 3.97Å; F181-W397 HydrophobicContact CZ-CE3 3.97Å; F181-W397 HydrophobicContact CZ-CG 4.28Å; F181-W397 AromaticContact CZ-CH2 3.79Å; F181-W397 HydrophobicContact CZ-CH2 3.79Å; F181-W397 AromaticContact CZ-CZ2 3.53Å; F181-W397 HydrophobicContact CZ-CZ2 3.53Å; F181-W397 HydrophobicContact CZ-CZ3 4.03Å; Y234-W397 AromaticContact CD2-CE3 3.59Å; Y234-W397 HydrophobicContact CD2-CE3 3.59Å; Y234-W397 HydrophobicContact CD2-CZ3 4.16Å; Y234-W397 WeakPolarHBondContact CD2-O 3.46Å; Y234-W397 HydrophobicContact CE2-CB 4.18Å; Y234-W397 HydrophobicContact CE2-CD2 4.19Å; Y234-W397 AromaticContact CE2-CE3 3.61Å; Y234-W397 HydrophobicContact CE2-CE3 3.61Å; Y234-W397 HydrophobicContact CE2-CG 4.47Å; Y234-W397 HydrophobicContact CE2-CZ3 4.38Å; I238-W397 HydrophobicContact CB-CH2 3.98Å; I238-W397 HydrophobicContact CG2-CH2 3.78Å; I238-W397 HydrophobicContact CG2-CZ2 4Å; H239-W397 VanDerWaalsContact CA-CH2 3.48Å; H239-W397 HydrophobicContact CB-CH2 3.76Å; H239-W397 HydrophobicContact CB-CZ3 3.95Å; D242-W397 HydrophobicContact CB-CZ2 4.02Å; D242-W397 PolarHBondContact OD2-NE1 3.44Å; H386-W397 HydrophobicContact CB-CB 3.8Å; H386-W397 HydrophobicContact CB-CG 3.92Å; L393-W397 VanDerWaalsContact O-CD1 3.32Å; L393-W397 PolarHBondContact O-N 3.48Å; H394-W397 PolarHBondContact O-N 2.87Å; W397-T399 VanDerWaalsContact C-N 3.3Å; W397-T399 PolarHBondContact O-N 3.36Å; W397-S400 PolarHBondContact O-N 2.92Å; W397-L401 WeakPolarHBondContact O-CB 3.38Å; W397-L401 PolarHBondContact O-N 3.13Å
398	T	98.6	Very high	98.5	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.006	19%	0.185	C	C	.	.	H	α-helix	trans	-59.2	-42.5	175.2	-64.3	0	0	0	0	111.4	H394 H395 L401 L402 V430 Q434 W528	H394-T398 PolarHBondContact CE1-OG1 3.06Å; H394-T398 VanDerWaalsContact CE1-OG1 3.22Å; H394-T398 PolarHBondContact O-N 3.32Å; H394-T398 PolarHBondContact O-OG1 3.43Å; H394-T398 VanDerWaalsContact O-OG1 3.1Å; H395-T398 PolarHBondContact O-N 3.02Å; T398-L401 PolarHBondContact O-N 2.7Å; T398-L402 HydrophobicContact CG2-CD1 3.79Å; T398-L402 HydrophobicContact CG2-CG 4.46Å; T398-L402 WeakPolarHBondContact O-CB 3.34Å; T398-L402 WeakPolarHBondContact O-CD1 3.44Å; T398-L402 VanDerWaalsContact O-CG 3.27Å; T398-L402 WeakPolarHBondContact O-CG 3.26Å; T398-L402 PolarHBondContact O-N 3.08Å; T398-V430 HydrophobicContact CG2-CG1 4.45Å; T398-Q434 VanDerWaalsContact CG2-CD 3.44Å; T398-Q434 HydrophobicContact CG2-CG 3.75Å; T398-Q434 PolarHBondContact OG1-OE1 3.15Å; T398-W528 HydrophobicContact CG2-CH2 4.08Å; T398-W528 HydrophobicContact CG2-CZ2 3.82Å
399	T	98.3	Very high	98.5	Very high	74 Å²	74	38.8 Å²	38.8	45%	0.454	19%	0.185	S	C	.	.	H	α-helix	trans	-63.5	-45.8	177.6	-55.6	0	0	0	0	111.2	H395 R396 W397 L402 E403	H395-T399 WeakPolarHBondContact O-CB 3.35Å; H395-T399 PolarHBondContact O-N 3.31Å; H395-T399 PolarHBondContact O-OG1 2.68Å; R396-T399 PolarHBondContact O-N 3.08Å; W397-T399 VanDerWaalsContact C-N 3.3Å; W397-T399 PolarHBondContact O-N 3.36Å; T399-L402 PolarHBondContact O-N 3.44Å; T399-E403 WeakPolarHBondContact O-CB 3.38Å; T399-E403 PolarHBondContact O-N 3.07Å
400	S	98.6	Very high	98.5	Very high	26 Å²	26	41.6 Å²	41.6	18%	0.182	20%	0.2	C	C	.	.	H	α-helix	trans	-58.8	-47.7	174.9	-82.8	0	0	0	0	112.2	P233 R396 W397 L402 E403 E404	P233-S400 VanDerWaalsContact CB-O 3.31Å; P233-S400 WeakPolarHBondContact CB-O 3.31Å; P233-S400 VanDerWaalsContact O-CB 3.25Å; P233-S400 WeakPolarHBondContact O-CB 3.25Å; P233-S400 PolarHBondContact O-OG 3.23Å; P233-S400 VanDerWaalsContact O-OG 3.07Å; R396-S400 PolarHBondContact O-N 3.21Å; W397-S400 PolarHBondContact O-N 2.92Å; S400-L402 PolarHBondContact O-N 2.83Å; S400-E403 PolarHBondContact O-N 3.18Å; S400-E404 PolarHBondContact O-N 3.3Å; S400-E404 VanDerWaalsContact O-N 3.09Å
401	L	98.5	Very high	98.4	Very high	25 Å²	25	43.9 Å²	43.9	13%	0.131	21%	0.206	C	C	.	.	H	α-helix	trans	-63.2	-43.2	-178.5	-174.6	60.5	0	0	0	111.9	Y234 W397 T398 E404 F405	Y234-L401 HydrophobicContact CD1-CD1 3.81Å; Y234-L401 HydrophobicContact CD2-CB 3.56Å; Y234-L401 HydrophobicContact CD2-CD1 4.1Å; Y234-L401 HydrophobicContact CD2-CG 4.34Å; Y234-L401 HydrophobicContact CE1-CD1 4.19Å; Y234-L401 HydrophobicContact CE2-CB 4Å; Y234-L401 HydrophobicContact CE2-CD1 4.45Å; Y234-L401 HydrophobicContact CG-CB 3.99Å; Y234-L401 HydrophobicContact CG-CD1 3.76Å; Y234-L401 HydrophobicContact CG-CG 4.46Å; W397-L401 WeakPolarHBondContact O-CB 3.38Å; W397-L401 PolarHBondContact O-N 3.13Å; T398-L401 PolarHBondContact O-N 2.7Å; L401-E404 WeakPolarHBondContact O-CB 3.46Å; L401-E404 PolarHBondContact O-N 3.23Å; L401-F405 HydrophobicContact CD1-CD1 4.47Å; L401-F405 HydrophobicContact CD1-CE1 3.82Å; L401-F405 HydrophobicContact CD1-CE2 4.28Å; L401-F405 HydrophobicContact CD1-CZ 3.71Å; L401-F405 HydrophobicContact CD2-CE2 4.13Å; L401-F405 HydrophobicContact CD2-CZ 4.1Å; L401-F405 HydrophobicContact CG-CD2 4.39Å; L401-F405 HydrophobicContact CG-CE1 4.29Å; L401-F405 HydrophobicContact CG-CE2 3.86Å; L401-F405 HydrophobicContact CG-CZ 3.8Å; L401-F405 PolarHBondContact O-N 3.37Å
402	L	97.7	Very high	98.4	Very high	14 Å²	14	41.4 Å²	41.4	7%	0.073	20%	0.196	C	C	.	.	H	α-helix	trans	-66.6	-41.1	178.5	-71.7	167.5	0	0	0	112.3	T398 T399 S400 E404 F405 F406 T428 V430	T398-L402 HydrophobicContact CG2-CD1 3.79Å; T398-L402 HydrophobicContact CG2-CG 4.46Å; T398-L402 WeakPolarHBondContact O-CB 3.34Å; T398-L402 WeakPolarHBondContact O-CD1 3.44Å; T398-L402 VanDerWaalsContact O-CG 3.27Å; T398-L402 WeakPolarHBondContact O-CG 3.26Å; T398-L402 PolarHBondContact O-N 3.08Å; T399-L402 PolarHBondContact O-N 3.44Å; S400-L402 PolarHBondContact O-N 2.83Å; L402-E404 PolarHBondContact O-N 3.03Å; L402-F405 HydrophobicContact CD2-CD2 4.47Å; L402-F405 PolarHBondContact O-N 3.38Å; L402-F406 HydrophobicContact CB-CE2 3.95Å; L402-F406 HydrophobicContact CB-CZ 4.05Å; L402-F406 HydrophobicContact CD2-CZ 4.25Å; L402-F406 WeakPolarHBondContact O-CB 3.4Å; L402-F406 WeakPolarHBondContact O-CD1 3.31Å; L402-F406 WeakPolarHBondContact O-CD2 3.13Å; L402-F406 WeakPolarHBondContact O-CG 3.43Å; L402-F406 PolarHBondContact O-N 3.47Å; L402-T428 HydrophobicContact CD2-CG2 4.32Å; L402-V430 HydrophobicContact CD1-CB 4.08Å; L402-V430 HydrophobicContact CD1-CG1 3.42Å; L402-V430 VanDerWaalsContact CD1-CG1 3.42Å; L402-V430 HydrophobicContact CD1-CG2 3.57Å; L402-V430 HydrophobicContact CD2-CG2 4.4Å
403	E	98.6	Very high	98.4	Very high	64 Å²	64	38 Å²	38	30%	0.299	19%	0.185	S	C	.	.	H	α-helix	trans	-59	-36.5	173.3	171.4	57.1	-163.9	0	0	111.2	P233 T399 S400 F406 R407	P233-E403 HydrophobicContact CB-CB 4.26Å; P233-E403 HydrophobicContact CB-CG 4.04Å; P233-E403 HydrophobicContact CG-CB 4.37Å; P233-E403 HydrophobicContact CG-CG 3.75Å; T399-E403 WeakPolarHBondContact O-CB 3.38Å; T399-E403 PolarHBondContact O-N 3.07Å; S400-E403 PolarHBondContact O-N 3.18Å; E403-F406 PolarHBondContact O-N 2.96Å; E403-R407 VanDerWaalsContact O-CG 3.31Å; E403-R407 WeakPolarHBondContact O-CG 3.29Å; E403-R407 PolarHBondContact O-N 3.48Å; E403-R407 IonicContact OE1-CZ 3.84Å; E403-R407 IonicContact OE1-NE 2.72Å; E403-R407 PolarHBondContact OE1-NE 2.75Å; E403-R407 IonicContact OE1-NH2 3.68Å; E403-R407 PolarHBondContact OE1-NH2 2.96Å
404	E	98.6	Very high	98.4	Very high	4 Å²	4	45.2 Å²	45.2	2%	0.019	22%	0.219	C	C	.	.	H	α-helix	trans	-68.2	-45.1	174.7	-163.3	167.9	126.2	0	0	113	N232 P233 Y234 H235 H279 G281 S400 L401 L402 F406 R407 Q408	N232-E404 WeakPolarHBondContact CB-OE2 3.33Å; P233-E404 HydrophobicContact CB-CB 4.25Å; P233-E404 WeakPolarHBondContact CD-OE2 3.31Å; P233-E404 HydrophobicContact CG-CB 4.09Å; Y234-E404 WeakPolarHBondContact CA-OE2 3.47Å; Y234-E404 WeakPolarHBondContact CB-OE2 3.49Å; Y234-E404 PolarHBondContact N-OE2 3.4Å; H235-E404 IonicContact CE1-OE1 3.71Å; H235-E404 IonicContact CG-OE1 3.32Å; H235-E404 PolarHBondContact N-OE2 3.05Å; H235-E404 IonicContact ND1-OE1 3.09Å; H235-E404 PolarHBondContact ND1-OE1 3.22Å; H235-E404 IonicContact ND1-OE2 3.84Å; H279-E404 IonicContact CE1-OE1 3.81Å; H279-E404 IonicContact ND1-OE1 2.8Å; G281-E404 VanDerWaalsContact CA-OE1 3.23Å; G281-E404 WeakPolarHBondContact CA-OE1 3.32Å; S400-E404 PolarHBondContact O-N 3.3Å; S400-E404 VanDerWaalsContact O-N 3.09Å; L401-E404 WeakPolarHBondContact O-CB 3.46Å; L401-E404 PolarHBondContact O-N 3.23Å; L402-E404 PolarHBondContact O-N 3.03Å; E404-F406 VanDerWaalsContact C-N 3.29Å; E404-F406 PolarHBondContact O-N 2.89Å; E404-R407 WeakPolarHBondContact O-CB 3.43Å; E404-R407 PolarHBondContact O-N 2.98Å; E404-Q408 PolarHBondContact O-N 3.08Å
405	F	98.4	Very high	98.3	Very high	45 Å²	45	50.3 Å²	50.3	20%	0.197	25%	0.245	C	C	.	.	H	α-helix	trans	-59.9	-39.1	173.1	-68.9	-15.5	0	0	0	112.3	L401 L402 Q408 G409 L422 C423	L401-F405 HydrophobicContact CD1-CD1 4.47Å; L401-F405 HydrophobicContact CD1-CE1 3.82Å; L401-F405 HydrophobicContact CD1-CE2 4.28Å; L401-F405 HydrophobicContact CD1-CZ 3.71Å; L401-F405 HydrophobicContact CD2-CE2 4.13Å; L401-F405 HydrophobicContact CD2-CZ 4.1Å; L401-F405 HydrophobicContact CG-CD2 4.39Å; L401-F405 HydrophobicContact CG-CE1 4.29Å; L401-F405 HydrophobicContact CG-CE2 3.86Å; L401-F405 HydrophobicContact CG-CZ 3.8Å; L401-F405 PolarHBondContact O-N 3.37Å; L402-F405 HydrophobicContact CD2-CD2 4.47Å; L402-F405 PolarHBondContact O-N 3.38Å; F405-Q408 WeakPolarHBondContact O-CB 3.5Å; F405-Q408 PolarHBondContact O-N 2.81Å; F405-G409 PolarHBondContact O-N 3.14Å; F405-L422 HydrophobicContact CD2-CB 4.22Å; F405-C423 WeakPolarHBondContact O-CA 3.39Å; F405-C423 VanDerWaalsContact O-CB 3.31Å; F405-C423 WeakPolarHBondContact O-CB 3.4Å
406	F	98.5	Very high	98.2	Very high	29 Å²	29	49.9 Å²	49.9	13%	0.127	26%	0.262	C	S	.	.	H	α-helix	trans	-67.7	-36.7	177	-59.9	-24.9	0	0	0	112.2	L402 E403 E404 Q408 G409 D410 L422 R425 T428	L402-F406 HydrophobicContact CB-CE2 3.95Å; L402-F406 HydrophobicContact CB-CZ 4.05Å; L402-F406 HydrophobicContact CD2-CZ 4.25Å; L402-F406 WeakPolarHBondContact O-CB 3.4Å; L402-F406 WeakPolarHBondContact O-CD1 3.31Å; L402-F406 WeakPolarHBondContact O-CD2 3.13Å; L402-F406 WeakPolarHBondContact O-CG 3.43Å; L402-F406 PolarHBondContact O-N 3.47Å; E403-F406 PolarHBondContact O-N 2.96Å; E404-F406 VanDerWaalsContact C-N 3.29Å; E404-F406 PolarHBondContact O-N 2.89Å; F406-Q408 VanDerWaalsContact C-N 3.32Å; F406-Q408 PolarHBondContact O-N 3.13Å; F406-G409 PolarHBondContact O-N 3.43Å; F406-D410 PolarHBondContact O-N 3.21Å; F406-L422 WeakPolarHBondContact CE1-O 3.31Å; F406-R425 HydrophobicContact CB-CB 4.18Å; F406-R425 HydrophobicContact CD1-CB 3.86Å; F406-R425 HydrophobicContact CD2-CB 3.9Å; F406-R425 HydrophobicContact CE1-CB 4.21Å; F406-R425 HydrophobicContact CE2-CB 4.23Å; F406-R425 HydrophobicContact CG-CB 3.7Å; F406-R425 HydrophobicContact CZ-CB 4.38Å; F406-T428 HydrophobicContact CE1-CG2 4.17Å; F406-T428 HydrophobicContact CZ-CG2 4.33Å
407	R	98.6	Very high	98.1	Very high	103 Å²	103	45.8 Å²	45.8	39%	0.389	25%	0.25	S	C	.	.	H	α-helix	trans	-64.3	-36	171.3	-73.1	175.9	-173.5	-167.9	4.6	112.4	K231 P233 E403 E404 K411	K231-R407 PolarHBondContact O-NH1 2.89Å; P233-R407 VanDerWaalsContact CG-CZ 3.5Å; E403-R407 VanDerWaalsContact O-CG 3.31Å; E403-R407 WeakPolarHBondContact O-CG 3.29Å; E403-R407 PolarHBondContact O-N 3.48Å; E403-R407 IonicContact OE1-CZ 3.84Å; E403-R407 IonicContact OE1-NE 2.72Å; E403-R407 PolarHBondContact OE1-NE 2.75Å; E403-R407 IonicContact OE1-NH2 3.68Å; E403-R407 PolarHBondContact OE1-NH2 2.96Å; E404-R407 WeakPolarHBondContact O-CB 3.43Å; E404-R407 PolarHBondContact O-N 2.98Å; R407-K411 WeakPolarHBondContact O-CG 3.49Å; R407-K411 PolarHBondContact O-N 2.95Å
408	Q	98.6	Very high	97.9	Very high	2 Å²	2	50.3 Å²	50.3	1%	0.009	28%	0.279	C	S	.	.	H	α-helix	trans	-63.9	-46.6	170.8	-178.3	-179.3	-54.8	0	0	110.8	T282 F286 E404 F405 F406 D410 K411 E412 S420	T282-Q408 VanDerWaalsContact CA-OE1 3.23Å; T282-Q408 HydrophobicContact CG2-CB 4.15Å; T282-Q408 HydrophobicContact CG2-CG 3.97Å; F286-Q408 HydrophobicContact CB-CG 4.45Å; F286-Q408 HydrophobicContact CD2-CG 3.77Å; F286-Q408 HydrophobicContact CE2-CG 4.29Å; F286-Q408 HydrophobicContact CG-CG 4.2Å; E404-Q408 PolarHBondContact O-N 3.08Å; F405-Q408 WeakPolarHBondContact O-CB 3.5Å; F405-Q408 PolarHBondContact O-N 2.81Å; F406-Q408 VanDerWaalsContact C-N 3.32Å; F406-Q408 PolarHBondContact O-N 3.13Å; Q408-D410 VanDerWaalsContact C-N 3.3Å; Q408-D410 PolarHBondContact O-N 3.16Å; Q408-K411 CarbonylContact O-C 3.6Å; Q408-K411 WeakPolarHBondContact O-CA 3.42Å; Q408-K411 WeakPolarHBondContact O-CB 3.09Å; Q408-K411 PolarHBondContact O-N 3.28Å; Q408-K411 VanDerWaalsContact O-N 3.07Å; Q408-E412 HydrophobicContact CG-CG 4.33Å; Q408-E412 PolarHBondContact NE2-OE1 3.5Å; Q408-E412 WeakPolarHBondContact O-CG 3.03Å; Q408-E412 PolarHBondContact O-N 2.97Å; Q408-S420 PolarHBondContact NE2-OG 3.27Å
409	G	98.3	Very high	97.7	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-59.1	-40.1	178.3	0	0	0	0	0	113	F405 F406 K411 E412 A413 F419 C423	F405-G409 PolarHBondContact O-N 3.14Å; F406-G409 PolarHBondContact O-N 3.43Å; G409-K411 VanDerWaalsContact C-N 3.33Å; G409-K411 PolarHBondContact O-N 3.04Å; G409-E412 WeakPolarHBondContact O-CB 3.23Å; G409-E412 PolarHBondContact O-N 3.26Å; G409-A413 PolarHBondContact O-N 3.34Å; G409-F419 WeakPolarHBondContact O-CE1 3.44Å; G409-C423 WeakPolarHBondContact CA-O 3.22Å
410	D	98.2	Very high	97.5	Very high	59 Å²	59	52.1 Å²	52.1	32%	0.316	28%	0.282	S	S	.	.	H	α-helix	trans	-60.9	-43.3	174.5	-60.7	-25	0	0	0	111.2	F406 Q408 A413 E414 R425	F406-D410 PolarHBondContact O-N 3.21Å; Q408-D410 VanDerWaalsContact C-N 3.3Å; Q408-D410 PolarHBondContact O-N 3.16Å; D410-A413 PolarHBondContact O-N 3.47Å; D410-E414 WeakPolarHBondContact O-CG 3.4Å; D410-E414 PolarHBondContact O-N 3.49Å; D410-R425 IonicContact OD1-CZ 3.76Å; D410-R425 IonicContact OD1-NE 2.7Å; D410-R425 PolarHBondContact OD1-NE 3.31Å; D410-R425 IonicContact OD1-NH2 3.66Å; D410-R425 PolarHBondContact OD1-NH2 2.9Å; D410-R425 IonicContact OD2-CZ 3.08Å; D410-R425 IonicContact OD2-NE 3.59Å; D410-R425 IonicContact OD2-NH2 3.45Å; D410-R425 PolarHBondContact OD2-NH2 3.15Å
411	K	98.1	Very high	97.2	Very high	80 Å²	80	56.4 Å²	56.4	35%	0.348	31%	0.31	S	S	.	.	H	α-helix	trans	-63.2	-40.6	174	-67.7	171.6	-177.1	173.9	0	112.1	T282 F286 R407 Q408 G409 A413 E414 L415	T282-K411 HydrophobicContact CG2-CD 4.15Å; F286-K411 HydrophobicContact CE2-CB 4.17Å; F286-K411 HydrophobicContact CZ-CB 4.06Å; F286-K411 HydrophobicContact CZ-CD 4.36Å; R407-K411 WeakPolarHBondContact O-CG 3.49Å; R407-K411 PolarHBondContact O-N 2.95Å; Q408-K411 CarbonylContact O-C 3.6Å; Q408-K411 WeakPolarHBondContact O-CA 3.42Å; Q408-K411 WeakPolarHBondContact O-CB 3.09Å; Q408-K411 PolarHBondContact O-N 3.28Å; Q408-K411 VanDerWaalsContact O-N 3.07Å; G409-K411 VanDerWaalsContact C-N 3.33Å; G409-K411 PolarHBondContact O-N 3.04Å; K411-A413 VanDerWaalsContact C-N 3.32Å; K411-E414 PolarHBondContact O-N 3.32Å; K411-L415 WeakPolarHBondContact O-CB 3.45Å; K411-L415 VanDerWaalsContact O-CG 3.27Å; K411-L415 WeakPolarHBondContact O-CG 3.37Å; K411-L415 PolarHBondContact O-N 2.94Å
412	E	98.4	Very high	96.9	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-60.1	-44.9	175.9	-71.8	169.6	164.2	0	0	110.5	F286 Q408 G409 L415 G416 L417 F419 S420	F286-E412 HydrophobicContact CD2-CG 3.77Å; F286-E412 HydrophobicContact CE2-CG 3.77Å; Q408-E412 HydrophobicContact CG-CG 4.33Å; Q408-E412 PolarHBondContact NE2-OE1 3.5Å; Q408-E412 WeakPolarHBondContact O-CG 3.03Å; Q408-E412 PolarHBondContact O-N 2.97Å; G409-E412 WeakPolarHBondContact O-CB 3.23Å; G409-E412 PolarHBondContact O-N 3.26Å; E412-L415 CarbonylContact O-C 3.57Å; E412-L415 PolarHBondContact O-N 3.38Å; E412-G416 PolarHBondContact O-N 2.78Å; E412-G416 VanDerWaalsContact O-N 3.08Å; E412-L417 HydrophobicContact CB-CB 4.07Å; E412-L417 HydrophobicContact CG-CB 4.41Å; E412-L417 PolarHBondContact O-N 3.15Å; E412-F419 WeakPolarHBondContact OE2-CA 3.29Å; E412-S420 WeakPolarHBondContact OE1-CB 3.29Å; E412-S420 PolarHBondContact OE1-OG 3.31Å; E412-S420 PolarHBondContact OE2-N 3Å
413	A	97.3	Very high	96.7	Very high	52 Å²	52	58.1 Å²	58.1	43%	0.43	32%	0.319	S	S	.	.	H	α-helix	trans	-62.6	-43.3	176	0	0	0	0	0	112.6	G409 D410 K411 L415 G416 F419	G409-A413 PolarHBondContact O-N 3.34Å; D410-A413 PolarHBondContact O-N 3.47Å; K411-A413 VanDerWaalsContact C-N 3.32Å; A413-L415 VanDerWaalsContact C-N 3.27Å; A413-L415 PolarHBondContact O-N 3.14Å; A413-G416 PolarHBondContact O-N 3.4Å; A413-G416 VanDerWaalsContact O-N 3.14Å; A413-F419 HydrophobicContact CB-CE1 4.12Å; A413-F419 HydrophobicContact CB-CZ 3.75Å
414	E	97.7	Very high	96.5	Very high	163 Å²	163	56.6 Å²	56.6	76%	0.762	31%	0.313	S	S	*	.	H	α-helix	trans	-60.6	-36.1	175.8	-74.5	175.8	-176.1	0	0	112.5	D410 K411 G416	D410-E414 WeakPolarHBondContact O-CG 3.4Å; D410-E414 PolarHBondContact O-N 3.49Å; K411-E414 PolarHBondContact O-N 3.32Å; E414-G416 VanDerWaalsContact C-N 3.31Å
415	L	97.3	Very high	96.2	Very high	106 Å²	106	62 Å²	62	56%	0.555	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-2.3	178.4	-66	172.6	0	0	0	113.5	F286 T290 K411 E412 A413 L417	F286-L415 HydrophobicContact CE2-CD1 4.26Å; F286-L415 HydrophobicContact CZ-CD1 3.91Å; T290-L415 HydrophobicContact CG2-CD1 3.83Å; K411-L415 WeakPolarHBondContact O-CB 3.45Å; K411-L415 VanDerWaalsContact O-CG 3.27Å; K411-L415 WeakPolarHBondContact O-CG 3.37Å; K411-L415 PolarHBondContact O-N 2.94Å; E412-L415 CarbonylContact O-C 3.57Å; E412-L415 PolarHBondContact O-N 3.38Å; A413-L415 VanDerWaalsContact C-N 3.27Å; A413-L415 PolarHBondContact O-N 3.14Å; L415-L417 VanDerWaalsContact C-N 3.25Å; L415-L417 HydrophobicContact CB-CD1 4.14Å; L415-L417 HydrophobicContact CB-CG 3.98Å; L415-L417 HydrophobicContact CD1-CD1 4.23Å; L415-L417 PolarHBondContact O-N 3.5Å
416	G	96.8	Very high	95.8	Very high	68 Å²	68	68.8 Å²	68.8	70%	0.701	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.9	23.8	-175.6	0	0	0	0	0	113.8	E412 A413 E414	E412-G416 PolarHBondContact O-N 2.78Å; E412-G416 VanDerWaalsContact O-N 3.08Å; A413-G416 PolarHBondContact O-N 3.4Å; A413-G416 VanDerWaalsContact O-N 3.14Å; E414-G416 VanDerWaalsContact C-N 3.31Å
417	L	95.9	Very high	95.4	Very high	45 Å²	45	71 Å²	71	24%	0.236	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-85	152	174.6	-62.6	177.3	0	0	0	110.7	T290 E412 L415	T290-L417 HydrophobicContact CG2-CD1 3.91Å; E412-L417 HydrophobicContact CB-CB 4.07Å; E412-L417 HydrophobicContact CG-CB 4.41Å; E412-L417 PolarHBondContact O-N 3.15Å; L415-L417 VanDerWaalsContact C-N 3.25Å; L415-L417 HydrophobicContact CB-CD1 4.14Å; L415-L417 HydrophobicContact CB-CG 3.98Å; L415-L417 HydrophobicContact CD1-CD1 4.23Å; L415-L417 PolarHBondContact O-N 3.5Å
418	P	95.4	Very high	94.9	Very high	96 Å²	96	67.2 Å²	67.2	62%	0.623	37%	0.37	S	S	*	.	P	Polyproline II helix	trans	-64.4	142.9	168.4	29.1	-34.1	0	0	0	110.1	S420	P418-S420 PolarHBondContact O-N 2.91Å
419	F	94.2	Very high	94.5	Very high	98 Å²	98	69.2 Å²	69.2	43%	0.43	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-60.5	129.6	174.7	-72.5	-80	0	0	0	110.9	G409 E412 A413 D424	G409-F419 WeakPolarHBondContact O-CE1 3.44Å; E412-F419 WeakPolarHBondContact OE2-CA 3.29Å; A413-F419 HydrophobicContact CB-CE1 4.12Å; A413-F419 HydrophobicContact CB-CZ 3.75Å; F419-D424 HydrophobicContact CB-CB 4.31Å; F419-D424 HydrophobicContact CD1-CB 3.99Å; F419-D424 HydrophobicContact CD2-CB 4.39Å; F419-D424 HydrophobicContact CE1-CB 4.37Å; F419-D424 HydrophobicContact CG-CB 3.99Å
420	S	93.6	Very high	94.3	Very high	15 Å²	15	70.7 Å²	70.7	11%	0.105	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-63.3	152.1	166.1	-73.1	0	0	0	0	110.2	Q408 E412 P418 L422 C423	Q408-S420 PolarHBondContact NE2-OG 3.27Å; E412-S420 WeakPolarHBondContact OE1-CB 3.29Å; E412-S420 PolarHBondContact OE1-OG 3.31Å; E412-S420 PolarHBondContact OE2-N 3Å; P418-S420 PolarHBondContact O-N 2.91Å; S420-L422 PolarHBondContact O-N 3.44Å; S420-C423 WeakPolarHBondContact O-CB 3.38Å; S420-C423 PolarHBondContact O-N 3.25Å
421	P	91.8	Very high	94.1	Very high	116 Å²	116	67.9 Å²	67.9	75%	0.753	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.3	137.3	173.7	-26.5	34.9	0	0	0	111.5	C423	P421-C423 PolarHBondContact O-N 3.43Å; P421-C423 VanDerWaalsContact O-N 3.15Å
422	L	92.1	Very high	93.8	Very high	71 Å²	71	69 Å²	69	37%	0.372	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.4	1.7	-179	-45.7	178.2	0	0	0	116.1	F405 F406 S420 T428 S433	F405-L422 HydrophobicContact CD2-CB 4.22Å; F406-L422 WeakPolarHBondContact CE1-O 3.31Å; S420-L422 PolarHBondContact O-N 3.44Å; L422-T428 HydrophobicContact CB-CG2 4.4Å; L422-T428 HydrophobicContact CD2-CG2 4.15Å; L422-T428 PolarHBondContact O-OG1 3.3Å; L422-S433 WeakPolarHBondContact CD2-OG 3.23Å
423	C	94.8	Very high	93.6	Very high	4 Å²	4	70.4 Å²	70.4	3%	0.027	39%	0.391	C	S	.	.			trans	-91.8	-10	-178.3	-62.8	0	0	0	0	113.4	F405 G409 S420 P421	F405-C423 WeakPolarHBondContact O-CA 3.39Å; F405-C423 VanDerWaalsContact O-CB 3.31Å; F405-C423 WeakPolarHBondContact O-CB 3.4Å; G409-C423 WeakPolarHBondContact CA-O 3.22Å; S420-C423 WeakPolarHBondContact O-CB 3.38Å; S420-C423 PolarHBondContact O-N 3.25Å; P421-C423 PolarHBondContact O-N 3.43Å; P421-C423 VanDerWaalsContact O-N 3.15Å
424	D	94.4	Very high	93.6	Very high	33 Å²	33	68.6 Å²	68.6	18%	0.176	37%	0.374	C	S	.	.			trans	-90.6	110	173.9	175.3	18.1	0	0	0	111.5	F419 K426 S427 T428	F419-D424 HydrophobicContact CB-CB 4.31Å; F419-D424 HydrophobicContact CD1-CB 3.99Å; F419-D424 HydrophobicContact CD2-CB 4.39Å; F419-D424 HydrophobicContact CE1-CB 4.37Å; F419-D424 HydrophobicContact CG-CB 3.99Å; D424-K426 PolarHBondContact O-N 3.43Å; D424-K426 VanDerWaalsContact O-N 3.08Å; D424-K426 WeakPolarHBondContact OD1-CB 3.26Å; D424-K426 PolarHBondContact OD1-N 3.05Å; D424-S427 WeakPolarHBondContact CB-OG 3.31Å; D424-S427 VanDerWaalsContact CG-OG 3.28Å; D424-S427 PolarHBondContact O-N 3.1Å; D424-S427 VanDerWaalsContact OD2-CB 3.29Å; D424-S427 WeakPolarHBondContact OD2-CB 3.37Å; D424-S427 PolarHBondContact OD2-N 2.78Å; D424-S427 PolarHBondContact OD2-OG 3.33Å; D424-T428 VanDerWaalsContact O-CB 3.29Å; D424-T428 WeakPolarHBondContact O-CB 3.48Å; D424-T428 PolarHBondContact O-N 3.08Å; D424-T428 VanDerWaalsContact O-N 3.07Å; D424-T428 PolarHBondContact O-OG1 3.44Å
425	R	93	Very high	93.6	Very high	116 Å²	116	62.1 Å²	62.1	44%	0.438	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-18.2	177.3	62.9	177.8	71.3	-128.1	-1.4	114.5	F406 D410	F406-R425 HydrophobicContact CB-CB 4.18Å; F406-R425 HydrophobicContact CD1-CB 3.86Å; F406-R425 HydrophobicContact CD2-CB 3.9Å; F406-R425 HydrophobicContact CE1-CB 4.21Å; F406-R425 HydrophobicContact CE2-CB 4.23Å; F406-R425 HydrophobicContact CG-CB 3.7Å; F406-R425 HydrophobicContact CZ-CB 4.38Å; D410-R425 IonicContact OD1-CZ 3.76Å; D410-R425 IonicContact OD1-NE 2.7Å; D410-R425 PolarHBondContact OD1-NE 3.31Å; D410-R425 IonicContact OD1-NH2 3.66Å; D410-R425 PolarHBondContact OD1-NH2 2.9Å; D410-R425 IonicContact OD2-CZ 3.08Å; D410-R425 IonicContact OD2-NE 3.59Å; D410-R425 IonicContact OD2-NH2 3.45Å; D410-R425 PolarHBondContact OD2-NH2 3.15Å
426	K	89.6	Confident	93.5	Very high	189 Å²	189	58.1 Å²	58.1	82%	0.822	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-33	-178.1	-63.1	178.4	-177.9	173.9	0	113.4	D424	D424-K426 PolarHBondContact O-N 3.43Å; D424-K426 VanDerWaalsContact O-N 3.08Å; D424-K426 WeakPolarHBondContact OD1-CB 3.26Å; D424-K426 PolarHBondContact OD1-N 3.05Å
427	S	88.9	Confident	93.5	Very high	74 Å²	74	57.4 Å²	57.4	52%	0.517	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.5	-15.4	-174.2	60.4	0	0	0	0	114.1	D424 L429	D424-S427 WeakPolarHBondContact CB-OG 3.31Å; D424-S427 VanDerWaalsContact CG-OG 3.28Å; D424-S427 PolarHBondContact O-N 3.1Å; D424-S427 VanDerWaalsContact OD2-CB 3.29Å; D424-S427 WeakPolarHBondContact OD2-CB 3.37Å; D424-S427 PolarHBondContact OD2-N 2.78Å; D424-S427 PolarHBondContact OD2-OG 3.33Å; S427-L429 PolarHBondContact O-N 3.21Å
428	T	88.9	Confident	93.6	Very high	24 Å²	24	55.2 Å²	55.2	15%	0.147	29%	0.294	C	S	.	.			trans	-64.2	125.9	-174.9	-65.1	0	0	0	0	112.8	L402 F406 L422 D424 V430	L402-T428 HydrophobicContact CD2-CG2 4.32Å; F406-T428 HydrophobicContact CE1-CG2 4.17Å; F406-T428 HydrophobicContact CZ-CG2 4.33Å; L422-T428 HydrophobicContact CB-CG2 4.4Å; L422-T428 HydrophobicContact CD2-CG2 4.15Å; L422-T428 PolarHBondContact O-OG1 3.3Å; D424-T428 VanDerWaalsContact O-CB 3.29Å; D424-T428 WeakPolarHBondContact O-CB 3.48Å; D424-T428 PolarHBondContact O-N 3.08Å; D424-T428 VanDerWaalsContact O-N 3.07Å; D424-T428 PolarHBondContact O-OG1 3.44Å; T428-V430 HydrophobicContact CG2-CG2 4.13Å; T428-V430 PolarHBondContact O-N 2.83Å
429	L	90.8	Very high	93.7	Very high	44 Å²	44	53.2 Å²	53.2	23%	0.23	28%	0.278	C	S	.	.			trans	-94.4	74.7	178.1	-53.8	-172.9	0	0	0	110.6	S427 A431 Q432 S433 R539	S427-L429 PolarHBondContact O-N 3.21Å; L429-A431 PolarHBondContact O-N 2.91Å; L429-Q432 HydrophobicContact CB-CB 4.08Å; L429-Q432 HydrophobicContact CB-CG 4.36Å; L429-Q432 PolarHBondContact O-N 3.22Å; L429-Q432 VanDerWaalsContact O-N 3.11Å; L429-S433 PolarHBondContact O-N 3.1Å; L429-S433 PolarHBondContact O-OG 2.92Å; L429-S433 VanDerWaalsContact O-OG 3.09Å; L429-R539 VanDerWaalsContact CD2-CZ 3.45Å
430	V	92.3	Very high	93.8	Very high	31 Å²	31	55.7 Å²	55.7	19%	0.188	29%	0.289	C	S	.	.	H	α-helix	trans	-46.9	-55.3	-171.1	172.4	0	0	0	0	112.8	T398 L402 T428 Q432 S433 Q434 W528	T398-V430 HydrophobicContact CG2-CG1 4.45Å; L402-V430 HydrophobicContact CD1-CB 4.08Å; L402-V430 HydrophobicContact CD1-CG1 3.42Å; L402-V430 VanDerWaalsContact CD1-CG1 3.42Å; L402-V430 HydrophobicContact CD1-CG2 3.57Å; L402-V430 HydrophobicContact CD2-CG2 4.4Å; T428-V430 HydrophobicContact CG2-CG2 4.13Å; T428-V430 PolarHBondContact O-N 2.83Å; V430-Q432 VanDerWaalsContact C-N 3.35Å; V430-Q432 PolarHBondContact O-N 3.35Å; V430-S433 PolarHBondContact O-N 3.38Å; V430-Q434 WeakPolarHBondContact O-CG 3.45Å; V430-Q434 PolarHBondContact O-N 3.47Å; V430-W528 HydrophobicContact CG1-CH2 4.1Å; V430-W528 HydrophobicContact CG1-CZ3 3.99Å
431	A	94.2	Very high	94.1	Very high	0 Å²	0	56 Å²	56	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-62.6	-40.8	-175.5	0	0	0	0	0	112.6	L429 Q434 I435 W528 Q531 A532	L429-A431 PolarHBondContact O-N 2.91Å; A431-Q434 PolarHBondContact O-N 2.62Å; A431-I435 WeakPolarHBondContact O-CD1 3.42Å; A431-I435 VanDerWaalsContact O-CG1 3.26Å; A431-I435 WeakPolarHBondContact O-CG1 3.15Å; A431-I435 PolarHBondContact O-N 3.32Å; A431-I435 VanDerWaalsContact O-N 3.11Å; A431-W528 HydrophobicContact CB-CE3 3.83Å; A431-Q531 HydrophobicContact CB-CB 4.2Å; A431-Q531 HydrophobicContact CB-CG 4.17Å; A431-A532 HydrophobicContact CB-CB 3.71Å
432	Q	93.1	Very high	94.4	Very high	103 Å²	103	50.4 Å²	50.4	48%	0.481	25%	0.253	S	S	.	.	H	α-helix	trans	-67.6	-41.1	177.6	-64.6	-175.8	5.7	0	0	111.8	L429 V430 Q434 I435 G436 A532	L429-Q432 HydrophobicContact CB-CB 4.08Å; L429-Q432 HydrophobicContact CB-CG 4.36Å; L429-Q432 PolarHBondContact O-N 3.22Å; L429-Q432 VanDerWaalsContact O-N 3.11Å; V430-Q432 VanDerWaalsContact C-N 3.35Å; V430-Q432 PolarHBondContact O-N 3.35Å; Q432-Q434 VanDerWaalsContact C-N 3.34Å; Q432-Q434 PolarHBondContact O-N 3.41Å; Q432-I435 PolarHBondContact O-N 3.45Å; Q432-G436 PolarHBondContact O-N 3.2Å; Q432-A532 HydrophobicContact CG-CB 4.29Å
433	S	93.4	Very high	94.7	Very high	31 Å²	31	49.1 Å²	49.1	22%	0.217	25%	0.248	C	C	.	.	H	α-helix	trans	-61.3	-41.9	176.4	-59.9	0	0	0	0	111.8	L422 L429 V430 G436 F437	L422-S433 WeakPolarHBondContact CD2-OG 3.23Å; L429-S433 PolarHBondContact O-N 3.1Å; L429-S433 PolarHBondContact O-OG 2.92Å; L429-S433 VanDerWaalsContact O-OG 3.09Å; V430-S433 PolarHBondContact O-N 3.38Å; S433-G436 PolarHBondContact O-N 2.78Å; S433-F437 WeakPolarHBondContact O-CB 3.18Å; S433-F437 PolarHBondContact O-N 2.7Å
434	Q	97.7	Very high	94.9	Very high	14 Å²	14	50.6 Å²	50.6	7%	0.065	26%	0.258	C	S	.	.	H	α-helix	trans	-68	-39.8	177.5	-66.7	-62.3	-69.4	0	0	112.7	H394 T398 V430 A431 Q432 G436 F437 I438 W528	H394-Q434 PolarHBondContact CE1-OE1 3.24Å; T398-Q434 VanDerWaalsContact CG2-CD 3.44Å; T398-Q434 HydrophobicContact CG2-CG 3.75Å; T398-Q434 PolarHBondContact OG1-OE1 3.15Å; V430-Q434 WeakPolarHBondContact O-CG 3.45Å; V430-Q434 PolarHBondContact O-N 3.47Å; A431-Q434 PolarHBondContact O-N 2.62Å; Q432-Q434 VanDerWaalsContact C-N 3.34Å; Q432-Q434 PolarHBondContact O-N 3.41Å; Q434-G436 VanDerWaalsContact C-N 3.32Å; Q434-G436 PolarHBondContact O-N 3.07Å; Q434-F437 PolarHBondContact O-N 3.33Å; Q434-I438 WeakPolarHBondContact O-CB 3.38Å; Q434-I438 WeakPolarHBondContact O-CG1 3.4Å; Q434-I438 PolarHBondContact O-N 2.65Å; Q434-W528 HydrophobicContact CB-CD2 3.95Å; Q434-W528 HydrophobicContact CB-CG 3.88Å; Q434-W528 HydrophobicContact CG-CD2 4.23Å; Q434-W528 HydrophobicContact CG-CZ2 3.98Å
435	I	97.3	Very high	95.1	Very high	27 Å²	27	49 Å²	49	14%	0.138	25%	0.249	C	C	.	.	H	α-helix	trans	-59.5	-46.1	173.4	-65.6	159.5	0	0	0	110.3	A431 Q432 I438 D439 R525 W528 K529 A532	A431-I435 WeakPolarHBondContact O-CD1 3.42Å; A431-I435 VanDerWaalsContact O-CG1 3.26Å; A431-I435 WeakPolarHBondContact O-CG1 3.15Å; A431-I435 PolarHBondContact O-N 3.32Å; A431-I435 VanDerWaalsContact O-N 3.11Å; Q432-I435 PolarHBondContact O-N 3.45Å; I435-I438 PolarHBondContact O-N 2.93Å; I435-D439 WeakPolarHBondContact O-CB 3.47Å; I435-D439 PolarHBondContact O-N 3.2Å; I435-R525 HydrophobicContact CG2-CG 4.47Å; I435-W528 HydrophobicContact CD1-CB 4.22Å; I435-W528 HydrophobicContact CG1-CB 3.74Å; I435-K529 HydrophobicContact CD1-CB 4.37Å; I435-K529 HydrophobicContact CD1-CG 3.71Å; I435-K529 HydrophobicContact CG1-CG 4.26Å; I435-A532 HydrophobicContact CD1-CB 4.28Å
436	G	94.4	Very high	95.3	Very high	21 Å²	21	43.5 Å²	43.5	22%	0.216	23%	0.229	C	C	.	.	H	α-helix	trans	-62.1	-45.4	177	0	0	0	0	0	112.5	Q432 S433 Q434 I438 D439 F440	Q432-G436 PolarHBondContact O-N 3.2Å; S433-G436 PolarHBondContact O-N 2.78Å; Q434-G436 VanDerWaalsContact C-N 3.32Å; Q434-G436 PolarHBondContact O-N 3.07Å; G436-I438 VanDerWaalsContact C-N 3.32Å; G436-I438 PolarHBondContact O-N 3.34Å; G436-D439 PolarHBondContact O-N 2.99Å; G436-F440 WeakPolarHBondContact O-CB 3.36Å; G436-F440 WeakPolarHBondContact O-CD2 3.32Å; G436-F440 PolarHBondContact O-N 3.48Å
437	F	97.9	Very high	95.7	Very high	53 Å²	53	36.9 Å²	36.9	23%	0.232	20%	0.204	C	C	.	.	H	α-helix	trans	-59.7	-44	177.4	-173.3	-114.5	0	0	0	111.8	I384 P387 S433 Q434 I441 V442	I384-F437 HydrophobicContact CB-CZ 4.22Å; I384-F437 HydrophobicContact CG2-CZ 4.35Å; P387-F437 HydrophobicContact CG-CD1 4Å; P387-F437 HydrophobicContact CG-CE1 3.9Å; S433-F437 WeakPolarHBondContact O-CB 3.18Å; S433-F437 PolarHBondContact O-N 2.7Å; Q434-F437 PolarHBondContact O-N 3.33Å; F437-I441 HydrophobicContact CD2-CB 3.87Å; F437-I441 HydrophobicContact CD2-CG1 3.76Å; F437-I441 HydrophobicContact CD2-CG2 4.2Å; F437-I441 HydrophobicContact CE2-CB 3.87Å; F437-I441 HydrophobicContact CE2-CG1 4.02Å; F437-I441 HydrophobicContact CE2-CG2 3.66Å; F437-I441 HydrophobicContact CZ-CG2 4.15Å; F437-I441 WeakPolarHBondContact O-CA 3.46Å; F437-I441 VanDerWaalsContact O-CB 3.26Å; F437-I441 WeakPolarHBondContact O-CB 2.99Å; F437-I441 PolarHBondContact O-N 3.47Å; F437-V442 HydrophobicContact CD1-CG2 3.7Å; F437-V442 HydrophobicContact CE1-CG2 3.59Å; F437-V442 HydrophobicContact CG-CG2 4.45Å; F437-V442 HydrophobicContact CZ-CG2 4.27Å; F437-V442 PolarHBondContact O-N 3.13Å; F437-V442 VanDerWaalsContact O-N 3.07Å
438	I	98.3	Very high	96.2	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.179	C	C	.	.	I	π-helix	trans	-59.2	-53.3	174.9	-76	169.5	0	0	0	111.3	P387 Q434 I435 G436 V442 V443 V521 R525	P387-I438 HydrophobicContact CB-CD1 4.19Å; P387-I438 HydrophobicContact CB-CG1 3.76Å; Q434-I438 WeakPolarHBondContact O-CB 3.38Å; Q434-I438 WeakPolarHBondContact O-CG1 3.4Å; Q434-I438 PolarHBondContact O-N 2.65Å; I435-I438 PolarHBondContact O-N 2.93Å; G436-I438 VanDerWaalsContact C-N 3.32Å; G436-I438 PolarHBondContact O-N 3.34Å; I438-V442 PolarHBondContact O-N 2.78Å; I438-V443 HydrophobicContact CG2-CG2 4.05Å; I438-V443 WeakPolarHBondContact O-CG2 3.37Å; I438-V443 PolarHBondContact O-N 2.99Å; I438-V521 HydrophobicContact CB-CG1 4.45Å; I438-V521 HydrophobicContact CG2-CG1 3.27Å; I438-R525 HydrophobicContact CD1-CB 4.18Å; I438-R525 HydrophobicContact CG2-CB 4.29Å; I438-R525 HydrophobicContact CG2-CG 4.49Å
439	D	97.1	Very high	96.6	Very high	53 Å²	53	32.2 Å²	32.2	28%	0.283	17%	0.172	S	C	.	.	I	π-helix	trans	-70	-37.4	-171.5	-74.9	-14	0	0	0	112.7	I435 G436 P444 R525	I435-D439 WeakPolarHBondContact O-CB 3.47Å; I435-D439 PolarHBondContact O-N 3.2Å; G436-D439 PolarHBondContact O-N 2.99Å; D439-P444 WeakPolarHBondContact O-CD 3.42Å; D439-R525 VanDerWaalsContact CG-NE 3.3Å; D439-R525 VanDerWaalsContact OD1-CD 3.28Å; D439-R525 WeakPolarHBondContact OD1-CD 3.48Å; D439-R525 IonicContact OD1-CZ 2.76Å; D439-R525 IonicContact OD1-NE 3.12Å; D439-R525 PolarHBondContact OD1-NE 3.38Å; D439-R525 IonicContact OD1-NH2 3.81Å; D439-R525 IonicContact OD2-CZ 3.65Å; D439-R525 IonicContact OD2-NE 3.88Å; D439-R525 PolarHBondContact OD2-NE 2.9Å; D439-R525 VanDerWaalsContact OD2-NE 3.08Å; D439-R525 IonicContact OD2-NH2 3.52Å; D439-R525 PolarHBondContact OD2-NH2 3.37Å
440	F	97.3	Very high	96.9	Very high	150 Å²	150	30.1 Å²	30.1	66%	0.658	16%	0.161	S	C	*	.	I	π-helix	trans	-101	-21.5	-171	-63.7	-66.7	0	0	0	114.5	G436	G436-F440 WeakPolarHBondContact O-CB 3.36Å; G436-F440 WeakPolarHBondContact O-CD2 3.32Å; G436-F440 PolarHBondContact O-N 3.48Å
441	I	98.1	Very high	97.1	Very high	21 Å²	21	31.5 Å²	31.5	11%	0.108	17%	0.167	C	C	.	.	I	π-helix	trans	-118.7	-59.1	-174.9	-51.6	-60.7	0	0	0	110.6	M349 H352 F353 I384 F437 T445	M349-I441 HydrophobicContact CE-CG2 4.18Å; H352-I441 WeakPolarHBondContact CE1-CG2 3.35Å; F353-I441 HydrophobicContact CE1-CD1 4.08Å; F353-I441 HydrophobicContact CZ-CD1 3.71Å; I384-I441 HydrophobicContact CD1-CG2 3.88Å; F437-I441 HydrophobicContact CD2-CB 3.87Å; F437-I441 HydrophobicContact CD2-CG1 3.76Å; F437-I441 HydrophobicContact CD2-CG2 4.2Å; F437-I441 HydrophobicContact CE2-CB 3.87Å; F437-I441 HydrophobicContact CE2-CG1 4.02Å; F437-I441 HydrophobicContact CE2-CG2 3.66Å; F437-I441 HydrophobicContact CZ-CG2 4.15Å; F437-I441 WeakPolarHBondContact O-CA 3.46Å; F437-I441 VanDerWaalsContact O-CB 3.26Å; F437-I441 WeakPolarHBondContact O-CB 2.99Å; F437-I441 PolarHBondContact O-N 3.47Å; I441-T445 WeakPolarHBondContact O-CB 3.39Å; I441-T445 PolarHBondContact O-N 3.43Å; I441-T445 PolarHBondContact O-OG1 3.49Å
442	V	98.5	Very high	97.3	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.167	C	C	.	.	I	π-helix	trans	-68.9	-55.6	-170.2	-177.6	0	0	0	0	111.4	P387 F437 I438 T445 F446 V521	P387-V442 HydrophobicContact CB-CG1 4.37Å; P387-V442 HydrophobicContact CB-CG2 4.09Å; P387-V442 HydrophobicContact CG-CG2 3.8Å; F437-V442 HydrophobicContact CD1-CG2 3.7Å; F437-V442 HydrophobicContact CE1-CG2 3.59Å; F437-V442 HydrophobicContact CG-CG2 4.45Å; F437-V442 HydrophobicContact CZ-CG2 4.27Å; F437-V442 PolarHBondContact O-N 3.13Å; F437-V442 VanDerWaalsContact O-N 3.07Å; I438-V442 PolarHBondContact O-N 2.78Å; V442-T445 PolarHBondContact O-N 3.3Å; V442-T445 VanDerWaalsContact O-N 3.13Å; V442-F446 HydrophobicContact CG1-CD2 3.65Å; V442-F446 HydrophobicContact CG1-CE2 3.82Å; V442-F446 WeakPolarHBondContact O-CD2 3.47Å; V442-F446 PolarHBondContact O-N 2.84Å; V442-V521 HydrophobicContact CG1-CG2 4.22Å
443	V	98.5	Very high	97.3	Very high	43 Å²	43	26.6 Å²	26.6	26%	0.261	15%	0.145	S	C	.	.	H	α-helix	trans	-59.5	-46.9	-176.9	170.6	0	0	0	0	112.3	I438 T445 T447 V521	I438-V443 HydrophobicContact CG2-CG2 4.05Å; I438-V443 WeakPolarHBondContact O-CG2 3.37Å; I438-V443 PolarHBondContact O-N 2.99Å; V443-T445 VanDerWaalsContact C-N 3.29Å; V443-T445 PolarHBondContact O-N 3.24Å; V443-T447 WeakPolarHBondContact O-CB 3.15Å; V443-T447 PolarHBondContact O-N 3.38Å; V443-T447 PolarHBondContact O-OG1 2.82Å; V443-V521 HydrophobicContact CG2-CG1 3.58Å
444	P	98.4	Very high	97.3	Very high	36 Å²	36	28 Å²	28	23%	0.234	15%	0.148	C	C	.	.	H	α-helix	trans	-59.8	-38.6	175.8	-27.3	37.5	0	0	0	113.2	D439 V448	D439-P444 WeakPolarHBondContact O-CD 3.42Å; P444-V448 WeakPolarHBondContact O-CG2 3.46Å; P444-V448 PolarHBondContact O-N 3.49Å; P444-V448 VanDerWaalsContact O-N 3.14Å
445	T	98.6	Very high	97.1	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-69.4	-50.2	-178.8	-56.5	0	0	0	0	111.5	H352 L377 T381 I384 I441 V442 V443 T447 V448 L449	H352-T445 PolarHBondContact CE1-OG1 3.47Å; L377-T445 HydrophobicContact CD1-CG2 4.11Å; T381-T445 HydrophobicContact CG2-CG2 4.07Å; T381-T445 VanDerWaalsContact OG1-CG2 3.28Å; T381-T445 WeakPolarHBondContact OG1-CG2 3.44Å; I384-T445 HydrophobicContact CD1-CG2 4.11Å; I441-T445 WeakPolarHBondContact O-CB 3.39Å; I441-T445 PolarHBondContact O-N 3.43Å; I441-T445 PolarHBondContact O-OG1 3.49Å; V442-T445 PolarHBondContact O-N 3.3Å; V442-T445 VanDerWaalsContact O-N 3.13Å; V443-T445 VanDerWaalsContact C-N 3.29Å; V443-T445 PolarHBondContact O-N 3.24Å; T445-T447 PolarHBondContact O-N 2.92Å; T445-V448 PolarHBondContact O-N 3.38Å; T445-L449 WeakPolarHBondContact O-CB 3.49Å; T445-L449 PolarHBondContact O-N 3.35Å
446	F	98.6	Very high	96.9	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-62	-33.9	178.2	-91.2	-97.1	0	0	0	112.6	W176 T381 A388 V442 T450 F513 W517	W176-F446 AromaticContact CH2-CE1 3.69Å; W176-F446 HydrophobicContact CH2-CE1 3.69Å; W176-F446 AromaticContact CH2-CZ 3.96Å; W176-F446 HydrophobicContact CH2-CZ 3.96Å; W176-F446 AromaticContact CZ2-CE1 3.64Å; W176-F446 HydrophobicContact CZ2-CE1 3.64Å; W176-F446 AromaticContact CZ2-CZ 3.9Å; W176-F446 HydrophobicContact CZ2-CZ 3.9Å; T381-F446 HydrophobicContact CG2-CD1 4.21Å; T381-F446 HydrophobicContact CG2-CD2 3.63Å; T381-F446 HydrophobicContact CG2-CE1 4.08Å; T381-F446 HydrophobicContact CG2-CE2 3.47Å; T381-F446 VanDerWaalsContact CG2-CE2 3.47Å; T381-F446 HydrophobicContact CG2-CG 4.01Å; T381-F446 HydrophobicContact CG2-CZ 3.72Å; A388-F446 HydrophobicContact CB-CE1 3.98Å; A388-F446 HydrophobicContact CB-CE2 4.08Å; A388-F446 HydrophobicContact CB-CZ 3.67Å; V442-F446 HydrophobicContact CG1-CD2 3.65Å; V442-F446 HydrophobicContact CG1-CE2 3.82Å; V442-F446 WeakPolarHBondContact O-CD2 3.47Å; V442-F446 PolarHBondContact O-N 2.84Å; F446-T450 WeakPolarHBondContact O-CB 3.34Å; F446-T450 PolarHBondContact O-N 2.88Å; F446-T450 PolarHBondContact O-OG1 2.95Å; F446-F513 HydrophobicContact CD1-CZ 4.37Å; F446-F513 HydrophobicContact CE1-CZ 4.37Å; F446-W517 HydrophobicContact CB-CD2 3.76Å; F446-W517 HydrophobicContact CB-CE3 3.67Å; F446-W517 HydrophobicContact CB-CH2 3.72Å; F446-W517 HydrophobicContact CB-CZ2 3.76Å; F446-W517 HydrophobicContact CB-CZ3 3.66Å; F446-W517 HydrophobicContact CD1-CB 3.9Å; F446-W517 AromaticContact CD1-CD1 3.86Å; F446-W517 AromaticContact CD1-CD2 3.69Å; F446-W517 HydrophobicContact CD1-CD2 3.69Å; F446-W517 HydrophobicContact CD1-CE3 4.11Å; F446-W517 AromaticContact CD1-CG 3.58Å; F446-W517 HydrophobicContact CD1-CG 3.58Å; F446-W517 HydrophobicContact CE1-CB 4.03Å; F446-W517 HydrophobicContact CE1-CG 4.2Å; F446-W517 HydrophobicContact CG-CD2 4.04Å; F446-W517 HydrophobicContact CG-CE3 4.04Å; F446-W517 HydrophobicContact CG-CG 4.39Å; F446-W517 HydrophobicContact CG-CZ3 4.47Å
447	T	98.3	Very high	96.6	Very high	49 Å²	49	31.3 Å²	31.3	30%	0.301	15%	0.152	S	C	.	.	H	α-helix	trans	-62.6	-52.3	174.1	-59.1	0	0	0	0	110.4	V443 T445 L449 T450 D451	V443-T447 WeakPolarHBondContact O-CB 3.15Å; V443-T447 PolarHBondContact O-N 3.38Å; V443-T447 PolarHBondContact O-OG1 2.82Å; T445-T447 PolarHBondContact O-N 2.92Å; T447-L449 PolarHBondContact O-N 3.24Å; T447-T450 PolarHBondContact O-N 3.42Å; T447-D451 VanDerWaalsContact O-CG 3.26Å; T447-D451 PolarHBondContact O-N 2.99Å
448	V	98.3	Very high	96.2	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.006	16%	0.16	C	C	.	.	H	α-helix	trans	-65.2	-39.6	-179.8	175.8	0	0	0	0	112	V356 M359 K360 L363 L377 P444 T445 T450 D451 M452	V356-V448 HydrophobicContact CG1-CG2 4.01Å; M359-V448 HydrophobicContact CB-CG1 3.75Å; M359-V448 HydrophobicContact CG-CG1 3.58Å; K360-V448 HydrophobicContact CD-CG2 3.97Å; K360-V448 HydrophobicContact CG-CG1 4.3Å; K360-V448 HydrophobicContact CG-CG2 3.5Å; K360-V448 VanDerWaalsContact CG-CG2 3.5Å; L363-V448 HydrophobicContact CD1-CG1 4.17Å; L377-V448 HydrophobicContact CD2-CG1 3.88Å; P444-V448 WeakPolarHBondContact O-CG2 3.46Å; P444-V448 PolarHBondContact O-N 3.49Å; P444-V448 VanDerWaalsContact O-N 3.14Å; T445-V448 PolarHBondContact O-N 3.38Å; V448-T450 VanDerWaalsContact C-N 3.33Å; V448-T450 PolarHBondContact O-N 3.4Å; V448-D451 PolarHBondContact O-N 2.92Å; V448-M452 VanDerWaalsContact O-CB 3.28Å; V448-M452 WeakPolarHBondContact O-CB 3.45Å; V448-M452 PolarHBondContact O-N 2.75Å
449	L	98.3	Very high	95.7	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-58.5	-47	174.2	-178.7	76.5	0	0	0	110.9	L250 L377 L378 T381 T445 T447 M452 M453 F513	L250-L449 HydrophobicContact CD1-CD2 4.2Å; L250-L449 HydrophobicContact CD2-CD2 4.19Å; L377-L449 HydrophobicContact CG-CD1 4.3Å; L378-L449 HydrophobicContact CB-CD1 4.16Å; L378-L449 HydrophobicContact CG-CD1 4.49Å; T381-L449 HydrophobicContact CG2-CB 4.4Å; T381-L449 HydrophobicContact CG2-CD2 3.51Å; T381-L449 HydrophobicContact CG2-CG 4.44Å; T445-L449 WeakPolarHBondContact O-CB 3.49Å; T445-L449 PolarHBondContact O-N 3.35Å; T447-L449 PolarHBondContact O-N 3.24Å; L449-M452 HydrophobicContact CD1-CE 3.72Å; L449-M452 WeakPolarHBondContact O-CB 3.46Å; L449-M452 PolarHBondContact O-N 3.28Å; L449-M453 HydrophobicContact CD1-CE 3.64Å; L449-M453 HydrophobicContact CD1-SD 4.37Å; L449-M453 HydrophobicContact CD2-CE 3.79Å; L449-M453 HydrophobicContact CD2-SD 4.19Å; L449-M453 HydrophobicContact CG-CE 3.67Å; L449-M453 HydrophobicContact CG-SD 3.87Å; L449-M453 VanDerWaalsContact O-CG 3.31Å; L449-M453 WeakPolarHBondContact O-CG 3.45Å; L449-M453 PolarHBondContact O-N 3.38Å; L449-F513 HydrophobicContact CD2-CZ 4.46Å
450	T	97.3	Very high	95.2	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-63	-47.3	-179.3	-55.9	0	0	0	0	110.5	F446 T447 V448 M452 M453 E454 I510 K514 W517	F446-T450 WeakPolarHBondContact O-CB 3.34Å; F446-T450 PolarHBondContact O-N 2.88Å; F446-T450 PolarHBondContact O-OG1 2.95Å; T447-T450 PolarHBondContact O-N 3.42Å; V448-T450 VanDerWaalsContact C-N 3.33Å; V448-T450 PolarHBondContact O-N 3.4Å; T450-M452 VanDerWaalsContact C-N 3.29Å; T450-M452 PolarHBondContact O-N 2.91Å; T450-M453 PolarHBondContact O-N 3.3Å; T450-E454 WeakPolarHBondContact O-CG 3.45Å; T450-E454 PolarHBondContact O-N 2.97Å; T450-I510 HydrophobicContact CG2-CG2 3.88Å; T450-K514 HydrophobicContact CG2-CB 4.01Å; T450-K514 HydrophobicContact CG2-CD 3.9Å; T450-K514 HydrophobicContact CG2-CG 4.02Å; T450-W517 PolarHBondContact OG1-NE1 3Å; T450-W517 VanDerWaalsContact OG1-NE1 3.08Å
451	D	96.3	Very high	94.4	Very high	59 Å²	59	28.5 Å²	28.5	32%	0.316	15%	0.152	S	C	.	.	H	α-helix	trans	-62.8	-37.1	179	-63.2	-13.4	0	0	0	111.5	L363 T447 V448 R455 K514	L363-D451 HydrophobicContact CD1-CB 3.88Å; T447-D451 VanDerWaalsContact O-CG 3.26Å; T447-D451 PolarHBondContact O-N 2.99Å; V448-D451 PolarHBondContact O-N 2.92Å; D451-R455 WeakPolarHBondContact O-CB 3.38Å; D451-R455 PolarHBondContact O-N 3.19Å; D451-K514 IonicContact OD1-NZ 3.34Å
452	M	97	Very high	93.7	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-62.7	-48	172.9	-179.7	-162.7	79.3	0	0	112.6	M359 L363 I369 A374 L377 V448 L449 T450 R455 I456	M359-M452 HydrophobicContact CE-CG 4.36Å; M359-M452 HydrophobicContact CE-SD 3.58Å; M359-M452 VanDerWaalsContact CE-SD 3.58Å; M359-M452 HydrophobicContact CG-CB 4.37Å; M359-M452 HydrophobicContact CG-CG 4.41Å; M359-M452 HydrophobicContact CG-SD 4.3Å; M359-M452 HydrophobicContact SD-CB 4.36Å; M359-M452 HydrophobicContact SD-CG 3.83Å; M359-M452 HydrophobicContact SD-SD 3.83Å; L363-M452 HydrophobicContact CD2-CB 4.16Å; I369-M452 HydrophobicContact CD1-CB 4.35Å; I369-M452 HydrophobicContact CD1-CG 3.65Å; I369-M452 HydrophobicContact CG2-CG 4.4Å; A374-M452 VanDerWaalsContact CA-SD 3.55Å; A374-M452 HydrophobicContact CB-CE 4.1Å; A374-M452 HydrophobicContact CB-SD 3.64Å; L377-M452 HydrophobicContact CB-SD 4.49Å; L377-M452 HydrophobicContact CD2-SD 4.02Å; V448-M452 VanDerWaalsContact O-CB 3.28Å; V448-M452 WeakPolarHBondContact O-CB 3.45Å; V448-M452 PolarHBondContact O-N 2.75Å; L449-M452 HydrophobicContact CD1-CE 3.72Å; L449-M452 WeakPolarHBondContact O-CB 3.46Å; L449-M452 PolarHBondContact O-N 3.28Å; T450-M452 VanDerWaalsContact C-N 3.29Å; T450-M452 PolarHBondContact O-N 2.91Å; M452-R455 PolarHBondContact O-N 3.12Å; M452-I456 HydrophobicContact CG-CD1 3.94Å; M452-I456 WeakPolarHBondContact O-CG1 3.39Å; M452-I456 PolarHBondContact O-N 3.49Å
453	M	94.8	Very high	92.9	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-63.9	-41.4	177.7	-70.2	168.1	167.7	0	0	111.5	L250 T254 M256 L378 L449 T450 R455 I456 V457 F513	L250-M453 HydrophobicContact CB-CE 4.12Å; L250-M453 HydrophobicContact CD2-CE 4.31Å; T254-M453 HydrophobicContact CG2-CE 4.37Å; T254-M453 HydrophobicContact CG2-SD 3.57Å; T254-M453 VanDerWaalsContact CG2-SD 3.57Å; M256-M453 HydrophobicContact CG-CB 4.46Å; M256-M453 HydrophobicContact CG-CE 4.24Å; M256-M453 HydrophobicContact CG-CG 3.83Å; M256-M453 HydrophobicContact SD-CB 4.4Å; M256-M453 HydrophobicContact SD-CG 4Å; L378-M453 HydrophobicContact CD1-CE 3.63Å; L378-M453 HydrophobicContact CG-CE 3.99Å; L449-M453 HydrophobicContact CD1-CE 3.64Å; L449-M453 HydrophobicContact CD1-SD 4.37Å; L449-M453 HydrophobicContact CD2-CE 3.79Å; L449-M453 HydrophobicContact CD2-SD 4.19Å; L449-M453 HydrophobicContact CG-CE 3.67Å; L449-M453 HydrophobicContact CG-SD 3.87Å; L449-M453 VanDerWaalsContact O-CG 3.31Å; L449-M453 WeakPolarHBondContact O-CG 3.45Å; L449-M453 PolarHBondContact O-N 3.38Å; T450-M453 PolarHBondContact O-N 3.3Å; M453-R455 VanDerWaalsContact C-N 3.35Å; M453-R455 PolarHBondContact O-N 3.34Å; M453-I456 PolarHBondContact O-N 3.1Å; M453-V457 WeakPolarHBondContact O-CB 3.44Å; M453-V457 WeakPolarHBondContact O-CG2 3.25Å; M453-V457 PolarHBondContact O-N 2.9Å; M453-F513 HydrophobicContact SD-CE1 4.33Å
454	E	93.3	Very high	91.9	Very high	61 Å²	61	35.8 Å²	35.8	29%	0.285	19%	0.189	S	C	.	.	H	α-helix	trans	-59.3	-45.5	174.2	-72	-177	-176.9	0	0	111.2	T450 I456 T458 I510	T450-E454 WeakPolarHBondContact O-CG 3.45Å; T450-E454 PolarHBondContact O-N 2.97Å; E454-I456 VanDerWaalsContact C-N 3.32Å; E454-I456 PolarHBondContact O-N 2.87Å; E454-T458 WeakPolarHBondContact O-CB 3.47Å; E454-T458 PolarHBondContact O-N 3.42Å; E454-T458 PolarHBondContact O-OG1 3.23Å; E454-I510 HydrophobicContact CG-CB 4.3Å; E454-I510 HydrophobicContact CG-CD1 4.12Å; E454-I510 HydrophobicContact CG-CG2 3.47Å; E454-I510 VanDerWaalsContact CG-CG2 3.47Å
455	R	93.1	Very high	90.7	Very high	115 Å²	115	37 Å²	37	43%	0.434	20%	0.199	S	C	.	.	H	α-helix	trans	-61.4	-37.9	178.3	179.3	59.4	172.5	149	1.7	112.8	L363 P366 I369 D451 M452 M453 P459	L363-R455 HydrophobicContact CD2-CB 3.99Å; L363-R455 HydrophobicContact CD2-CG 4.24Å; P366-R455 PolarHBondContact O-NH2 3.48Å; I369-R455 HydrophobicContact CD1-CB 4.18Å; I369-R455 HydrophobicContact CD1-CG 3.93Å; I369-R455 HydrophobicContact CG1-CG 4.42Å; D451-R455 WeakPolarHBondContact O-CB 3.38Å; D451-R455 PolarHBondContact O-N 3.19Å; M452-R455 PolarHBondContact O-N 3.12Å; M453-R455 VanDerWaalsContact C-N 3.35Å; M453-R455 PolarHBondContact O-N 3.34Å; R455-P459 WeakPolarHBondContact O-CD 3.43Å
456	I	91.9	Very high	89.2	Confident	16 Å²	16	43.7 Å²	43.7	8%	0.082	23%	0.23	C	C	.	.	H	α-helix	trans	-78.1	-45.7	-178.7	-69.5	168.3	0	0	0	111.6	M256 W259 I369 A374 M452 M453 E454	M256-I456 HydrophobicContact CE-CD1 3.84Å; M256-I456 HydrophobicContact CE-CG2 4.43Å; M256-I456 HydrophobicContact SD-CB 4.09Å; M256-I456 HydrophobicContact SD-CD1 4.06Å; M256-I456 HydrophobicContact SD-CG2 3.8Å; W259-I456 HydrophobicContact CB-CG2 3.88Å; W259-I456 HydrophobicContact CD2-CG2 3.46Å; W259-I456 VanDerWaalsContact CD2-CG2 3.46Å; W259-I456 HydrophobicContact CE3-CD1 4.25Å; W259-I456 HydrophobicContact CE3-CG2 3.92Å; W259-I456 HydrophobicContact CG-CG2 3.44Å; W259-I456 VanDerWaalsContact CG-CG2 3.44Å; W259-I456 HydrophobicContact CH2-CD1 3.81Å; W259-I456 HydrophobicContact CZ2-CD1 4.25Å; W259-I456 HydrophobicContact CZ2-CG1 4.48Å; W259-I456 HydrophobicContact CZ2-CG2 4.42Å; W259-I456 HydrophobicContact CZ3-CD1 3.86Å; I369-I456 HydrophobicContact CB-CD1 4.4Å; I369-I456 HydrophobicContact CB-CG1 4.47Å; I369-I456 HydrophobicContact CD1-CD1 4.19Å; I369-I456 HydrophobicContact CD1-CG1 4.02Å; A374-I456 HydrophobicContact CB-CD1 4.18Å; M452-I456 HydrophobicContact CG-CD1 3.94Å; M452-I456 WeakPolarHBondContact O-CG1 3.39Å; M452-I456 PolarHBondContact O-N 3.49Å; M453-I456 PolarHBondContact O-N 3.1Å; E454-I456 VanDerWaalsContact C-N 3.32Å; E454-I456 PolarHBondContact O-N 2.87Å
457	V	89.1	Confident	87.5	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-90	-29.5	-166.6	179.8	0	0	0	0	112.7	T254 M256 M453 L460 I461 V508 I510	T254-V457 WeakPolarHBondContact O-CG2 3.42Å; M256-V457 HydrophobicContact CG-CG2 4.31Å; M256-V457 HydrophobicContact SD-CG2 3.91Å; M453-V457 WeakPolarHBondContact O-CB 3.44Å; M453-V457 WeakPolarHBondContact O-CG2 3.25Å; M453-V457 PolarHBondContact O-N 2.9Å; V457-L460 WeakPolarHBondContact O-CB 3.49Å; V457-L460 PolarHBondContact O-N 3.34Å; V457-I461 HydrophobicContact CG1-CD1 3.87Å; V457-I461 HydrophobicContact CG1-CG1 4.06Å; V457-I461 PolarHBondContact O-N 3.47Å; V457-V508 HydrophobicContact CG1-CG1 4.07Å; V457-I510 HydrophobicContact CB-CD1 4.15Å; V457-I510 HydrophobicContact CG1-CD1 4.43Å
458	T	89.5	Confident	85.3	Confident	63 Å²	63	45.2 Å²	45.2	39%	0.387	25%	0.248	S	C	.	.	H	α-helix	trans	-55.8	-47.7	-179.9	-56.6	0	0	0	0	112.8	E454 L460 I461 D462	E454-T458 WeakPolarHBondContact O-CB 3.47Å; E454-T458 PolarHBondContact O-N 3.42Å; E454-T458 PolarHBondContact O-OG1 3.23Å; T458-L460 VanDerWaalsContact C-N 3.26Å; T458-L460 PolarHBondContact O-N 3.26Å; T458-I461 PolarHBondContact O-N 3.32Å; T458-I461 VanDerWaalsContact O-N 3.15Å; T458-D462 PolarHBondContact O-N 2.85Å
459	P	88.1	Confident	82.7	Confident	62 Å²	62	51.1 Å²	51.1	40%	0.403	28%	0.279	S	S	.	.	H	α-helix	trans	-60.1	-33.3	176.3	-23.5	34.9	0	0	0	113.7	R455 D462 E463	R455-P459 WeakPolarHBondContact O-CD 3.43Å; P459-D462 PolarHBondContact O-N 3.41Å; P459-E463 WeakPolarHBondContact O-CB 3.37Å; P459-E463 PolarHBondContact O-N 2.94Å
460	L	85	Confident	79.9	Confident	32 Å²	32	54.7 Å²	54.7	17%	0.168	30%	0.304	C	S	.	.	H	α-helix	trans	-68.6	-39.4	177.7	-56.6	177.5	0	0	0	111.5	W259 V457 T458 A464 L505	W259-L460 HydrophobicContact CB-CD1 3.92Å; V457-L460 WeakPolarHBondContact O-CB 3.49Å; V457-L460 PolarHBondContact O-N 3.34Å; T458-L460 VanDerWaalsContact C-N 3.26Å; T458-L460 PolarHBondContact O-N 3.26Å; L460-A464 WeakPolarHBondContact O-CB 3.31Å; L460-A464 PolarHBondContact O-N 3.24Å; L460-L505 HydrophobicContact CB-CD2 4.42Å
461	I	81.9	Confident	77.1	Confident	41 Å²	41	59.2 Å²	59.2	21%	0.21	33%	0.332	C	S	.	.	H	α-helix	trans	-65.8	-43.9	175.8	-65.9	170.9	0	0	0	110.4	V457 T458 A464 S465 L505 V508	V457-I461 HydrophobicContact CG1-CD1 3.87Å; V457-I461 HydrophobicContact CG1-CG1 4.06Å; V457-I461 PolarHBondContact O-N 3.47Å; T458-I461 PolarHBondContact O-N 3.32Å; T458-I461 VanDerWaalsContact O-N 3.15Å; I461-A464 PolarHBondContact O-N 3.08Å; I461-S465 WeakPolarHBondContact O-CB 3.44Å; I461-S465 PolarHBondContact O-N 3.32Å; I461-S465 PolarHBondContact O-OG 3.31Å; I461-L505 HydrophobicContact CG1-CD2 4.18Å; I461-V508 HydrophobicContact CD1-CB 4.12Å; I461-V508 HydrophobicContact CD1-CG1 4.02Å
462	D	83.7	Confident	74.2	Confident	81 Å²	81	64 Å²	64	43%	0.433	35%	0.35	S	S	.	.	H	α-helix	trans	-64.2	-45.8	179.7	-70	-20.7	0	0	0	111.2	T458 P459 A464 S465 H466	T458-D462 PolarHBondContact O-N 2.85Å; P459-D462 PolarHBondContact O-N 3.41Å; D462-A464 PolarHBondContact O-N 3.46Å; D462-S465 PolarHBondContact O-N 3.16Å; D462-H466 PolarHBondContact O-CD2 3.01Å; D462-H466 PolarHBondContact O-N 3.24Å
463	E	81.1	Confident	71.2	Confident	110 Å²	110	74.4 Å²	74.4	51%	0.514	39%	0.39	S	S	.	.	H	α-helix	trans	-60.8	-44.8	176.3	-174.7	174.4	-173.4	0	0	111.8	P459 S465 H466 S467	P459-E463 WeakPolarHBondContact O-CB 3.37Å; P459-E463 PolarHBondContact O-N 2.94Å; E463-S465 VanDerWaalsContact C-N 3.34Å; E463-S465 PolarHBondContact O-N 3.4Å; E463-H466 PolarHBondContact O-N 2.67Å; E463-S467 PolarHBondContact O-N 3.12Å
464	A	76.5	Confident	68.3	Low	25 Å²	25	85.3 Å²	85.3	21%	0.207	43%	0.431	C	S	.	.	H	α-helix	trans	-61.2	-42.5	176.6	0	0	0	0	0	111.9	L460 I461 D462 H466 S467 G468 L505	L460-A464 WeakPolarHBondContact O-CB 3.31Å; L460-A464 PolarHBondContact O-N 3.24Å; I461-A464 PolarHBondContact O-N 3.08Å; D462-A464 PolarHBondContact O-N 3.46Å; A464-H466 PolarHBondContact O-N 3.05Å; A464-S467 PolarHBondContact O-N 3.49Å; A464-S467 PolarHBondContact O-OG 3.03Å; A464-G468 PolarHBondContact O-N 3.26Å; A464-L505 HydrophobicContact CB-CD1 4.16Å
465	S	74.8	Confident	65.3	Low	61 Å²	61	86.3 Å²	86.3	43%	0.427	45%	0.445	S	S	.	.	H	α-helix	trans	-64.2	-38.6	179.2	-60.7	0	0	0	0	112.5	I461 D462 E463	I461-S465 WeakPolarHBondContact O-CB 3.44Å; I461-S465 PolarHBondContact O-N 3.32Å; I461-S465 PolarHBondContact O-OG 3.31Å; D462-S465 PolarHBondContact O-N 3.16Å; E463-S465 VanDerWaalsContact C-N 3.34Å; E463-S465 PolarHBondContact O-N 3.4Å
466	H	67.3	Low	62.5	Low	141 Å²	141	85.3 Å²	85.3	65%	0.653	46%	0.455	S	S	*	.	H	α-helix	trans	-72.3	-34.4	176.5	-72.4	-52.9	0	0	0	113.3	D462 E463 A464 L469	D462-H466 PolarHBondContact O-CD2 3.01Å; D462-H466 PolarHBondContact O-N 3.24Å; E463-H466 PolarHBondContact O-N 2.67Å; A464-H466 PolarHBondContact O-N 3.05Å; H466-L469 PolarHBondContact O-N 3.45Å
467	S	61.7	Low	59.7	Low	43 Å²	43	91.6 Å²	91.6	30%	0.301	49%	0.488	S	S	.	.	H	α-helix	trans	-66.9	-35.7	177.1	75.6	0	0	0	0	112.8	E463 A464 L469 S470 T471	E463-S467 PolarHBondContact O-N 3.12Å; A464-S467 PolarHBondContact O-N 3.49Å; A464-S467 PolarHBondContact O-OG 3.03Å; S467-L469 PolarHBondContact O-N 3.2Å; S467-S470 PolarHBondContact O-N 3.34Å; S467-S470 PolarHBondContact O-OG 3.03Å; S467-T471 PolarHBondContact O-OG1 3Å
468	G	53.3	Low	57.2	Low	38 Å²	38	99.1 Å²	99.1	39%	0.392	53%	0.529	S	S	.	.	H	α-helix	trans	-64.5	-34.1	176.9	0	0	0	0	0	114.2	A464	A464-G468 PolarHBondContact O-N 3.26Å
469	L	43.8	Very low	54.4	Low	125 Å²	125	101.8 Å²	101.8	65%	0.654	55%	0.549	S	S	*	.	H	α-helix	trans	-75.3	-28.1	179.1	-160.7	69.2	0	0	0	112.8	H466 S467 T471	H466-L469 PolarHBondContact O-N 3.45Å; S467-L469 PolarHBondContact O-N 3.2Å; L469-T471 VanDerWaalsContact C-N 3.33Å
470	S	37.8	Very low	51.8	Low	75 Å²	75	107.1 Å²	107.1	52%	0.524	57%	0.573	S	S	.	*	H	α-helix	trans	-71.5	-28.4	176.6	79.6	0	0	0	0	112.9	S467	S467-S470 PolarHBondContact O-N 3.34Å; S467-S470 PolarHBondContact O-OG 3.03Å
471	T	38.5	Very low	49.1	Very low	95 Å²	95	111 Å²	111	58%	0.583	60%	0.603	S	S	*	*	H	α-helix	trans	-73.9	-34.7	178.7	-57	0	0	0	0	111.4	S467 L469 R473 R474 S475	S467-T471 PolarHBondContact O-OG1 3Å; L469-T471 VanDerWaalsContact C-N 3.33Å; T471-R473 PolarHBondContact O-N 3.41Å; T471-R474 PolarHBondContact O-N 2.96Å; T471-S475 PolarHBondContact O-N 3.18Å; T471-S475 PolarHBondContact O-OG 3.49Å
472	F	35.7	Very low	46.6	Very low	160 Å²	160	114 Å²	114	70%	0.702	63%	0.627	S	S	*	*	H	α-helix	trans	-70.1	-27.3	177.6	-99.7	-87.2	0	0	0	114.3	S475	F472-S475 PolarHBondContact O-OG 3.19Å
473	R	33.9	Very low	43.9	Very low	219 Å²	219	117.6 Å²	117.6	83%	0.826	65%	0.646	S	S	*	*	H	α-helix	trans	-80.4	-17.7	177.5	-77.3	-167.1	178.2	-166	1.6	114.1	T471	T471-R473 PolarHBondContact O-N 3.41Å
474	R	34	Very low	41.5	Very low	228 Å²	228	120.1 Å²	120.1	86%	0.86	66%	0.658	S	S	*	*	H	α-helix	trans	-91.9	-19	176.9	-100.8	179.5	169	172.4	-2.9	113.8	T471	T471-R474 PolarHBondContact O-N 2.96Å
475	S	30.9	Very low	39.2	Very low	83 Å²	83	124.8 Å²	124.8	58%	0.58	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.6	-4.7	179.6	47.4	0	0	0	0	115	T471 F472	T471-S475 PolarHBondContact O-N 3.18Å; T471-S475 PolarHBondContact O-OG 3.49Å; F472-S475 PolarHBondContact O-OG 3.19Å
476	S	33.7	Very low	37.1	Very low	93 Å²	93	130.9 Å²	130.9	65%	0.65	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.9	9.9	179	-64.1	0	0	0	0	115.2
477	L	34.3	Very low	35.2	Very low	149 Å²	149	135.1 Å²	135.1	78%	0.78	71%	0.713	S	S	*	*	S	Bend	trans	-134.2	67.3	174.3	-67.7	173.7	0	0	0	110.1
478	N	36.4	Very low	33.6	Very low	158 Å²	158	142.6 Å²	142.6	85%	0.845	74%	0.743	S	S	*	*	S	Bend	trans	179.7	90.6	149.6	-92.7	-13	0	0	0	110.3
479	S	30.7	Very low	32.2	Very low	118 Å²	118	145.6 Å²	145.6	83%	0.825	76%	0.758	S	S	*	*			trans	172.2	95.3	134.3	60.2	0	0	0	0	110.1
480	I	33.7	Very low	31.4	Very low	175 Å²	175	146.4 Å²	146.4	90%	0.897	77%	0.768	S	S	*	*			trans	-102.2	111.9	150.1	-63.7	174.2	0	0	0	105.6
481	S	28.3	Very low	31	Very low	114 Å²	114	152.3 Å²	152.3	80%	0.797	78%	0.784	S	S	*	*			trans	-169.4	138	131.8	-164.7	0	0	0	0	110.1
482	S	28.1	Very low	30.5	Very low	102 Å²	102	153 Å²	153	71%	0.713	79%	0.793	S	S	*	*			trans	-67.9	147.4	-176	-31.9	0	0	0	0	113.4
483	D	28.1	Very low	30	Very low	157 Å²	157	153.9 Å²	153.9	84%	0.84	80%	0.801	S	S	*	*				-174.5	156.8	108.9	-132.1	-21.8	0	0	0	114
484	E	29.5	Very low	30	Very low	163 Å²	163	147.7 Å²	147.7	76%	0.762	81%	0.805	S	S	*	*			trans	-65.9	150.5	-173.5	-63.4	-171.6	118.8	0	0	116.4
485	T	28.5	Very low	29.7	Very low	124 Å²	124	141.6 Å²	141.6	76%	0.761	80%	0.798	S	S	*	*				170.5	125.9	106.6	34.2	0	0	0	0	115.5
486	K	29.8	Very low	29.8	Very low	189 Å²	189	146.2 Å²	146.2	82%	0.822	82%	0.816	S	S	*	*			trans	50.4	108.8	141.8	-72.1	177.4	179.2	170.9	0	123.2
487	R	28.2	Very low	29.5	Very low	229 Å²	229	146.4 Å²	146.4	86%	0.864	82%	0.817	S	S	*	*				42	125.2	120.9	-67.4	-177.5	179.6	173.7	0.7	119.7
488	H	27.4	Very low	29.3	Very low	200 Å²	200	144.7 Å²	144.7	93%	0.926	82%	0.818	S	S	*	*				-153.1	136	114.5	-101.7	-73.9	0	0	0	111.9
489	S	24.4	Very low	29	Very low	101 Å²	101	143.1 Å²	143.1	71%	0.706	82%	0.819	S	S	*	*			trans	-102.5	127.9	-177.1	153.9	0	0	0	0	109.5
490	V	28.1	Very low	29.2	Very low	142 Å²	142	142.5 Å²	142.5	86%	0.861	82%	0.815	S	S	*	*			trans	-139.5	119.2	154.3	-174.8	0	0	0	0	108.4
491	K	29.7	Very low	29.3	Very low	199 Å²	199	137.5 Å²	137.5	87%	0.865	81%	0.807	S	S	*	*			trans	-82.6	135	170	-79.8	177.7	172.1	179.2	0	109.5
492	S	26.2	Very low	29.7	Very low	109 Å²	109	139.7 Å²	139.7	76%	0.762	80%	0.804	S	S	*	*			trans	-151.2	100.1	154.5	-176.1	0	0	0	0	106.5
493	M	26.4	Very low	30.6	Very low	180 Å²	180	137.9 Å²	137.9	89%	0.887	79%	0.792	S	S	*	*				60.6	111.5	105.9	-77.9	-173	66.7	0	0	113.4
494	G	33.6	Very low	31.9	Very low	88 Å²	88	132.5 Å²	132.5	91%	0.907	77%	0.766	S	S	*	*			trans	-68	147.4	-173.4	0	0	0	0	0	113.9
495	S	26.7	Very low	33.3	Very low	100 Å²	100	126.2 Å²	126.2	70%	0.699	74%	0.738	S	S	*	*			trans	-139.5	112.9	157.8	57.2	0	0	0	0	106.7	S497	S495-S497 PolarHBondContact O-N 3.27Å; S495-S497 VanDerWaalsContact O-N 3.14Å
496	D	33.9	Very low	34.5	Very low	180 Å²	180	126.6 Å²	126.6	96%	0.963	74%	0.735	S	S	*	*			trans	-54.3	114.3	169.2	-71.4	-41.7	0	0	0	109
497	S	27.3	Very low	35.9	Very low	97 Å²	97	121.5 Å²	121.5	68%	0.678	72%	0.719	S	S	*	*			trans	-126.6	109.3	171.4	49.1	0	0	0	0	108.5	S495 S499	S495-S497 PolarHBondContact O-N 3.27Å; S495-S497 VanDerWaalsContact O-N 3.14Å; S497-S499 PolarHBondContact O-N 3.31Å
498	S	30	Very low	38.1	Very low	114 Å²	114	111.8 Å²	111.8	80%	0.797	69%	0.685	S	S	*	*			trans	2.1	111.3	157.3	52.6	0	0	0	0	116.4	S500	S498-S500 PolarHBondContact O-N 3.09Å
499	S	29.6	Very low	40.5	Very low	124 Å²	124	105.8 Å²	105.8	87%	0.867	66%	0.66	S	S	*	*			trans	-61	99.4	169.1	55.7	0	0	0	0	111.3	S497	S497-S499 PolarHBondContact O-N 3.31Å
500	S	36.3	Very low	43.5	Very low	106 Å²	106	101.7 Å²	101.7	74%	0.741	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-74.6	117.9	169.7	175.4	0	0	0	0	109.8	S498 Q502	S498-S500 PolarHBondContact O-N 3.09Å; S500-Q502 PolarHBondContact O-N 2.85Å
501	G	36	Very low	46.3	Very low	70 Å²	70	103.2 Å²	103.2	72%	0.722	63%	0.625	S	S	*	*	P	Polyproline II helix	trans	-63.2	117.6	-173	0	0	0	0	0	114
502	Q	35.5	Very low	49.2	Very low	159 Å²	159	98 Å²	98	74%	0.743	61%	0.607	S	S	*	*	P	Polyproline II helix	trans	-70	122	161.9	-66.9	168.2	-2.2	0	0	107.7	S500 S504 T507	S500-Q502 PolarHBondContact O-N 2.85Å; Q502-S504 PolarHBondContact O-N 3.3Å; Q502-T507 WeakPolarHBondContact O-CG2 3.39Å; Q502-T507 PolarHBondContact O-OG1 3.46Å
503	S	47.8	Very low	52.4	Low	65 Å²	65	93 Å²	93	46%	0.455	57%	0.571	S	S	.	*			trans	-77.1	67.9	172.1	-61.2	0	0	0	0	110.1
504	S	55.7	Low	55.7	Low	44 Å²	44	87.6 Å²	87.6	31%	0.308	54%	0.543	S	S	.	.			trans	-81.7	148.4	169.1	178.8	0	0	0	0	108.4	Q502 L506 T507	Q502-S504 PolarHBondContact O-N 3.3Å; S504-L506 PolarHBondContact O-N 2.89Å; S504-L506 PolarHBondContact OG-N 3.43Å; S504-T507 PolarHBondContact N-OG1 3.09Å; S504-T507 WeakPolarHBondContact O-CB 3.26Å; S504-T507 PolarHBondContact O-N 3.34Å; S504-T507 PolarHBondContact O-OG1 3.11Å
505	L	58.8	Low	58.7	Low	30 Å²	30	86.1 Å²	86.1	16%	0.157	52%	0.522	C	S	.	.	G	3₁₀ helix	trans	-50.6	-24.2	167	-97	159.3	0	0	0	112.1	H258 L460 I461 A464 T507 V508	H258-L505 HydrophobicContact CB-CD2 4.1Å; H258-L505 HydrophobicContact CB-CG 4.37Å; H258-L505 VanDerWaalsContact CD2-CD2 3.45Å; H258-L505 WeakPolarHBondContact CD2-CD2 3.44Å; L460-L505 HydrophobicContact CB-CD2 4.42Å; I461-L505 HydrophobicContact CG1-CD2 4.18Å; A464-L505 HydrophobicContact CB-CD1 4.16Å; L505-T507 VanDerWaalsContact C-N 3.28Å; L505-T507 PolarHBondContact O-N 3.34Å; L505-V508 HydrophobicContact CD2-CG2 4.48Å; L505-V508 WeakPolarHBondContact O-CG2 3.17Å; L505-V508 PolarHBondContact O-N 3.35Å
506	L	52.9	Low	62	Low	133 Å²	133	83.9 Å²	83.9	70%	0.696	50%	0.502	S	S	*	.	G	3₁₀ helix	trans	-76.1	-7.3	175.2	-58	174.7	0	0	0	114.7	S504	S504-L506 PolarHBondContact O-N 2.89Å; S504-L506 PolarHBondContact OG-N 3.43Å
507	T	60.3	Low	65	Low	81 Å²	81	75.3 Å²	75.3	50%	0.497	46%	0.456	S	S	.	.	G	3₁₀ helix	trans	-101.6	0.4	175.9	61.5	0	0	0	0	113.4	Q502 S504 L505 D509	Q502-T507 WeakPolarHBondContact O-CG2 3.39Å; Q502-T507 PolarHBondContact O-OG1 3.46Å; S504-T507 PolarHBondContact N-OG1 3.09Å; S504-T507 WeakPolarHBondContact O-CB 3.26Å; S504-T507 PolarHBondContact O-N 3.34Å; S504-T507 PolarHBondContact O-OG1 3.11Å; L505-T507 VanDerWaalsContact C-N 3.28Å; L505-T507 PolarHBondContact O-N 3.34Å; T507-D509 PolarHBondContact O-N 2.93Å
508	V	73.2	Confident	68.3	Low	26 Å²	26	73.7 Å²	73.7	16%	0.158	44%	0.44	C	S	.	.			trans	-63.3	123	172.5	173.9	0	0	0	0	108.9	T254 V457 I461 L505 I510	T254-V508 VanDerWaalsContact O-CG1 3.26Å; T254-V508 WeakPolarHBondContact O-CG1 3.26Å; V457-V508 HydrophobicContact CG1-CG1 4.07Å; I461-V508 HydrophobicContact CD1-CB 4.12Å; I461-V508 HydrophobicContact CD1-CG1 4.02Å; L505-V508 HydrophobicContact CD2-CG2 4.48Å; L505-V508 WeakPolarHBondContact O-CG2 3.17Å; L505-V508 PolarHBondContact O-N 3.35Å; V508-I510 HydrophobicContact CG1-CD1 4.13Å; V508-I510 HydrophobicContact CG1-CG1 3.8Å
509	D	78.6	Confident	71.6	Confident	74 Å²	74	72.8 Å²	72.8	40%	0.396	42%	0.423	S	S	.	.			trans	-132.1	68.7	-176.5	-166.7	-6	0	0	0	110.5	T507 K511 N512 F513	T507-D509 PolarHBondContact O-N 2.93Å; D509-K511 PolarHBondContact O-N 3.24Å; D509-N512 HydrophobicContact CB-CB 4.07Å; D509-N512 PolarHBondContact O-N 3.38Å; D509-N512 VanDerWaalsContact OD1-CB 3.26Å; D509-N512 WeakPolarHBondContact OD1-CB 3.28Å; D509-N512 PolarHBondContact OD1-N 3.11Å; D509-N512 WeakPolarHBondContact OD2-CB 3.21Å; D509-N512 PolarHBondContact OD2-ND2 3.25Å; D509-F513 PolarHBondContact O-N 3.37Å
510	I	86.4	Confident	74.8	Confident	14 Å²	14	68.5 Å²	68.5	7%	0.072	39%	0.39	C	S	.	.	H	α-helix	trans	-61.3	-30.6	178.4	-59.6	169.3	0	0	0	110.8	T450 E454 V457 V508 F513 K514	T450-I510 HydrophobicContact CG2-CG2 3.88Å; E454-I510 HydrophobicContact CG-CB 4.3Å; E454-I510 HydrophobicContact CG-CD1 4.12Å; E454-I510 HydrophobicContact CG-CG2 3.47Å; E454-I510 VanDerWaalsContact CG-CG2 3.47Å; V457-I510 HydrophobicContact CB-CD1 4.15Å; V457-I510 HydrophobicContact CG1-CD1 4.43Å; V508-I510 HydrophobicContact CG1-CD1 4.13Å; V508-I510 HydrophobicContact CG1-CG1 3.8Å; I510-F513 PolarHBondContact O-N 2.93Å; I510-K514 WeakPolarHBondContact O-CB 3.35Å; I510-K514 PolarHBondContact O-N 3.29Å
511	K	87.8	Confident	77.8	Confident	174 Å²	174	63.7 Å²	63.7	76%	0.757	36%	0.356	S	S	*	.	H	α-helix	trans	-64.5	-45.9	176.9	-68.4	-177	-179.2	177.5	0	111.7	D509 K514 A515	D509-K511 PolarHBondContact O-N 3.24Å; K511-K514 PolarHBondContact O-N 3.28Å; K511-A515 WeakPolarHBondContact O-CB 3.45Å; K511-A515 PolarHBondContact O-N 3.06Å
512	N	90.6	Very high	80.8	Confident	91 Å²	91	66.6 Å²	66.6	49%	0.487	35%	0.346	S	S	.	.	H	α-helix	trans	-67.5	-40.6	175.4	-174.9	9.9	0	0	0	111.6	D509 K514 A515 L516	D509-N512 HydrophobicContact CB-CB 4.07Å; D509-N512 PolarHBondContact O-N 3.38Å; D509-N512 VanDerWaalsContact OD1-CB 3.26Å; D509-N512 WeakPolarHBondContact OD1-CB 3.28Å; D509-N512 PolarHBondContact OD1-N 3.11Å; D509-N512 WeakPolarHBondContact OD2-CB 3.21Å; D509-N512 PolarHBondContact OD2-ND2 3.25Å; N512-K514 VanDerWaalsContact C-N 3.3Å; N512-K514 PolarHBondContact O-N 2.93Å; N512-A515 PolarHBondContact O-N 2.86Å; N512-L516 VanDerWaalsContact O-CB 3.23Å; N512-L516 WeakPolarHBondContact O-CB 3.46Å; N512-L516 PolarHBondContact O-N 2.96Å
513	F	92.8	Very high	83.8	Confident	3 Å²	3	62.4 Å²	62.4	1%	0.013	33%	0.326	C	S	.	.	H	α-helix	trans	-54.6	-48.1	171.1	169.7	-113.2	0	0	0	111.6	W176 Y249 L250 T254 F446 L449 M453 D509 I510 A515 L516 W517	W176-F513 HydrophobicContact CH2-CE2 4.09Å; W176-F513 HydrophobicContact CZ3-CE2 4.06Å; Y249-F513 AromaticContact CE1-CD2 3.97Å; Y249-F513 HydrophobicContact CE1-CD2 3.97Å; Y249-F513 HydrophobicContact CE1-CE2 4.31Å; L250-F513 HydrophobicContact CD2-CE1 4.3Å; L250-F513 HydrophobicContact CD2-CE2 3.52Å; L250-F513 HydrophobicContact CD2-CZ 3.37Å; T254-F513 HydrophobicContact CG2-CD1 3.87Å; T254-F513 HydrophobicContact CG2-CE1 4.22Å; T254-F513 HydrophobicContact CG2-CG 4.06Å; F446-F513 HydrophobicContact CD1-CZ 4.37Å; F446-F513 HydrophobicContact CE1-CZ 4.37Å; L449-F513 HydrophobicContact CD2-CZ 4.46Å; M453-F513 HydrophobicContact SD-CE1 4.33Å; D509-F513 PolarHBondContact O-N 3.37Å; I510-F513 PolarHBondContact O-N 2.93Å; F513-A515 PolarHBondContact O-N 3.3Å; F513-L516 WeakPolarHBondContact O-CB 3.49Å; F513-L516 PolarHBondContact O-N 3Å; F513-W517 AromaticContact CE1-CD1 3.81Å; F513-W517 AromaticContact CZ-CD1 3.76Å; F513-W517 PolarHBondContact O-N 2.73Å; F513-W517 VanDerWaalsContact O-N 3.13Å
514	K	95.3	Very high	86.2	Confident	66 Å²	66	59.3 Å²	59.3	29%	0.287	31%	0.305	S	S	.	.	H	α-helix	trans	-59	-47.2	176.9	-168.3	173.7	-167.9	154.4	0	112.1	T450 D451 I510 K511 N512 L516 W517 N518	T450-K514 HydrophobicContact CG2-CB 4.01Å; T450-K514 HydrophobicContact CG2-CD 3.9Å; T450-K514 HydrophobicContact CG2-CG 4.02Å; D451-K514 IonicContact OD1-NZ 3.34Å; I510-K514 WeakPolarHBondContact O-CB 3.35Å; I510-K514 PolarHBondContact O-N 3.29Å; K511-K514 PolarHBondContact O-N 3.28Å; N512-K514 VanDerWaalsContact C-N 3.3Å; N512-K514 PolarHBondContact O-N 2.93Å; K514-L516 VanDerWaalsContact C-N 3.35Å; K514-W517 HydrophobicContact CG-CZ2 4.42Å; K514-N518 VanDerWaalsContact O-CB 3.31Å; K514-N518 WeakPolarHBondContact O-CB 3.48Å; K514-N518 PolarHBondContact O-N 2.92Å; K514-N518 PolarHBondContact O-ND2 3.49Å
515	A	96.4	Very high	88.2	Confident	58 Å²	58	60.1 Å²	60.1	48%	0.479	30%	0.301	S	S	.	.	H	α-helix	trans	-63.2	-42.4	178.6	0	0	0	0	0	111.8	K511 N512 F513 N518 E519	K511-A515 WeakPolarHBondContact O-CB 3.45Å; K511-A515 PolarHBondContact O-N 3.06Å; N512-A515 PolarHBondContact O-N 2.86Å; F513-A515 PolarHBondContact O-N 3.3Å; A515-N518 PolarHBondContact O-N 3.06Å; A515-E519 WeakPolarHBondContact O-CB 3.34Å; A515-E519 PolarHBondContact O-N 2.9Å
516	L	96.2	Very high	90.1	Very high	52 Å²	52	61.9 Å²	61.9	27%	0.272	31%	0.308	S	S	.	.	H	α-helix	trans	-60.5	-56.4	-178.3	-174.4	91.6	0	0	0	111.9	W176 N512 F513 K514 N518 E519 E520	W176-L516 HydrophobicContact CB-CD2 3.44Å; W176-L516 VanDerWaalsContact CB-CD2 3.44Å; W176-L516 VanDerWaalsContact CD1-CD2 3.44Å; W176-L516 HydrophobicContact CD2-CD2 4.19Å; W176-L516 HydrophobicContact CG-CD2 3.39Å; N512-L516 VanDerWaalsContact O-CB 3.23Å; N512-L516 WeakPolarHBondContact O-CB 3.46Å; N512-L516 PolarHBondContact O-N 2.96Å; F513-L516 WeakPolarHBondContact O-CB 3.49Å; F513-L516 PolarHBondContact O-N 3Å; K514-L516 VanDerWaalsContact C-N 3.35Å; L516-N518 VanDerWaalsContact C-N 3.31Å; L516-N518 PolarHBondContact O-N 3.37Å; L516-E519 PolarHBondContact O-N 3.08Å; L516-E520 WeakPolarHBondContact O-CG 3.44Å; L516-E520 PolarHBondContact O-N 3.2Å
517	W	97	Very high	92.3	Very high	1 Å²	1	61 Å²	61	0%	0.004	30%	0.295	C	S	.	.	H	α-helix	trans	-68.1	-34.2	-177.5	73.7	-111.2	0	0	0	111.6	W176 A388 F446 T450 F513 K514 V521	W176-W517 HydrophobicContact CZ2-CB 4.5Å; A388-W517 HydrophobicContact CB-CB 4.21Å; F446-W517 HydrophobicContact CB-CD2 3.76Å; F446-W517 HydrophobicContact CB-CE3 3.67Å; F446-W517 HydrophobicContact CB-CH2 3.72Å; F446-W517 HydrophobicContact CB-CZ2 3.76Å; F446-W517 HydrophobicContact CB-CZ3 3.66Å; F446-W517 HydrophobicContact CD1-CB 3.9Å; F446-W517 AromaticContact CD1-CD1 3.86Å; F446-W517 AromaticContact CD1-CD2 3.69Å; F446-W517 HydrophobicContact CD1-CD2 3.69Å; F446-W517 HydrophobicContact CD1-CE3 4.11Å; F446-W517 AromaticContact CD1-CG 3.58Å; F446-W517 HydrophobicContact CD1-CG 3.58Å; F446-W517 HydrophobicContact CE1-CB 4.03Å; F446-W517 HydrophobicContact CE1-CG 4.2Å; F446-W517 HydrophobicContact CG-CD2 4.04Å; F446-W517 HydrophobicContact CG-CE3 4.04Å; F446-W517 HydrophobicContact CG-CG 4.39Å; F446-W517 HydrophobicContact CG-CZ3 4.47Å; T450-W517 PolarHBondContact OG1-NE1 3Å; T450-W517 VanDerWaalsContact OG1-NE1 3.08Å; F513-W517 AromaticContact CE1-CD1 3.81Å; F513-W517 AromaticContact CZ-CD1 3.76Å; F513-W517 PolarHBondContact O-N 2.73Å; F513-W517 VanDerWaalsContact O-N 3.13Å; K514-W517 HydrophobicContact CG-CZ2 4.42Å; W517-V521 HydrophobicContact CE3-CG2 4.21Å; W517-V521 WeakPolarHBondContact O-CB 3.48Å; W517-V521 VanDerWaalsContact O-CG2 3.23Å; W517-V521 WeakPolarHBondContact O-CG2 3.3Å; W517-V521 PolarHBondContact O-N 3.08Å
518	N	97.8	Very high	94.1	Very high	62 Å²	62	57.6 Å²	57.6	33%	0.332	27%	0.274	S	S	.	.	H	α-helix	trans	-63.4	-42.2	175.8	-86.8	-65.6	0	0	0	111.7	K514 A515 L516 Y522	K514-N518 VanDerWaalsContact O-CB 3.31Å; K514-N518 WeakPolarHBondContact O-CB 3.48Å; K514-N518 PolarHBondContact O-N 2.92Å; K514-N518 PolarHBondContact O-ND2 3.49Å; A515-N518 PolarHBondContact O-N 3.06Å; L516-N518 VanDerWaalsContact C-N 3.31Å; L516-N518 PolarHBondContact O-N 3.37Å; N518-Y522 WeakPolarHBondContact O-CB 3.47Å; N518-Y522 PolarHBondContact O-N 3.13Å
519	E	98.1	Very high	95.3	Very high	96 Å²	96	59.5 Å²	59.5	45%	0.449	28%	0.28	S	S	.	.	H	α-helix	trans	-65.4	-47.2	178.2	-176.2	60.2	-153.8	0	0	111.4	A515 L516 V521 Y522 Q523	A515-E519 WeakPolarHBondContact O-CB 3.34Å; A515-E519 PolarHBondContact O-N 2.9Å; L516-E519 PolarHBondContact O-N 3.08Å; E519-V521 PolarHBondContact O-N 2.58Å; E519-Y522 PolarHBondContact O-N 3.28Å; E519-Q523 HydrophobicContact CG-CG 4.47Å; E519-Q523 WeakPolarHBondContact O-CB 3.45Å; E519-Q523 WeakPolarHBondContact O-CG 3.49Å; E519-Q523 PolarHBondContact O-N 2.92Å; E519-Q523 WeakPolarHBondContact OE1-CG 3.46Å; E519-Q523 PolarHBondContact OE1-NE2 3.4Å
520	E	98.3	Very high	96.1	Very high	34 Å²	34	58.5 Å²	58.5	16%	0.159	28%	0.282	C	S	.	.	H	α-helix	trans	-60.8	-47.3	178.7	-69.7	-71.8	-178.7	0	0	111.6	A388 S390 L516 Y522 Q523 N524	A388-E520 WeakPolarHBondContact O-CB 3.27Å; A388-E520 WeakPolarHBondContact O-CG 3.38Å; S390-E520 VanDerWaalsContact CA-OE2 3.31Å; S390-E520 WeakPolarHBondContact CA-OE2 3.44Å; L516-E520 WeakPolarHBondContact O-CG 3.44Å; L516-E520 PolarHBondContact O-N 3.2Å; E520-Y522 VanDerWaalsContact C-N 3.33Å; E520-Y522 PolarHBondContact O-N 3.1Å; E520-Q523 PolarHBondContact O-N 3.39Å; E520-N524 VanDerWaalsContact O-CB 3.31Å; E520-N524 WeakPolarHBondContact O-CB 3.32Å; E520-N524 VanDerWaalsContact O-CG 3.22Å; E520-N524 PolarHBondContact O-N 3.38Å; E520-N524 PolarHBondContact O-ND2 3.18Å
521	V	98.3	Very high	96.6	Very high	5 Å²	5	61.5 Å²	61.5	3%	0.03	30%	0.296	C	S	.	.	H	α-helix	trans	-62.5	-42	177.3	174.1	0	0	0	0	111.3	A388 I438 V442 V443 W517 E519 R525	A388-V521 HydrophobicContact CB-CG2 3.58Å; I438-V521 HydrophobicContact CB-CG1 4.45Å; I438-V521 HydrophobicContact CG2-CG1 3.27Å; V442-V521 HydrophobicContact CG1-CG2 4.22Å; V443-V521 HydrophobicContact CG2-CG1 3.58Å; W517-V521 HydrophobicContact CE3-CG2 4.21Å; W517-V521 WeakPolarHBondContact O-CB 3.48Å; W517-V521 VanDerWaalsContact O-CG2 3.23Å; W517-V521 WeakPolarHBondContact O-CG2 3.3Å; W517-V521 PolarHBondContact O-N 3.08Å; E519-V521 PolarHBondContact O-N 2.58Å; V521-R525 WeakPolarHBondContact O-CB 3.39Å; V521-R525 PolarHBondContact O-N 3.11Å
522	Y	98.4	Very high	96.9	Very high	130 Å²	130	53.9 Å²	53.9	51%	0.51	27%	0.265	S	S	.	.	H	α-helix	trans	-60.6	-51.3	175.9	175.4	-100.9	0	0	0	111.3	N518 E519 E520 N524 R525 E526	N518-Y522 WeakPolarHBondContact O-CB 3.47Å; N518-Y522 PolarHBondContact O-N 3.13Å; E519-Y522 PolarHBondContact O-N 3.28Å; E520-Y522 VanDerWaalsContact C-N 3.33Å; E520-Y522 PolarHBondContact O-N 3.1Å; Y522-N524 PolarHBondContact O-N 3.14Å; Y522-R525 PolarHBondContact O-N 3.18Å; Y522-E526 HydrophobicContact CD2-CG 4.4Å; Y522-E526 HydrophobicContact CE1-CG 4.08Å; Y522-E526 HydrophobicContact CE2-CG 3.96Å; Y522-E526 WeakPolarHBondContact O-CG 3.35Å; Y522-E526 PolarHBondContact O-N 3.21Å
523	Q	98.5	Very high	97.1	Very high	72 Å²	72	53.4 Å²	53.4	34%	0.336	27%	0.265	S	S	.	.	H	α-helix	trans	-60.6	-46.1	179.6	-71.7	-176	18.4	0	0	112.1	E519 E520 R525 E526 R527	E519-Q523 HydrophobicContact CG-CG 4.47Å; E519-Q523 WeakPolarHBondContact O-CB 3.45Å; E519-Q523 WeakPolarHBondContact O-CG 3.49Å; E519-Q523 PolarHBondContact O-N 2.92Å; E519-Q523 WeakPolarHBondContact OE1-CG 3.46Å; E519-Q523 PolarHBondContact OE1-NE2 3.4Å; E520-Q523 PolarHBondContact O-N 3.39Å; Q523-R525 VanDerWaalsContact C-N 3.33Å; Q523-R525 PolarHBondContact O-N 3.19Å; Q523-E526 PolarHBondContact O-N 3.35Å; Q523-R527 WeakPolarHBondContact O-CG 3.33Å; Q523-R527 PolarHBondContact O-N 3.02Å
524	N	98.6	Very high	97.1	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-63.3	-40.9	178.9	-72.4	-22.7	0	0	0	111.5	P387 K389 W391 E520 Y522 R527 W528	P387-N524 PolarHBondContact O-ND2 3.08Å; K389-N524 PolarHBondContact O-ND2 3.09Å; W391-N524 WeakPolarHBondContact CA-OD1 3.48Å; W391-N524 HydrophobicContact CE3-CB 4.47Å; E520-N524 VanDerWaalsContact O-CB 3.31Å; E520-N524 WeakPolarHBondContact O-CB 3.32Å; E520-N524 VanDerWaalsContact O-CG 3.22Å; E520-N524 PolarHBondContact O-N 3.38Å; E520-N524 PolarHBondContact O-ND2 3.18Å; Y522-N524 PolarHBondContact O-N 3.14Å; N524-R527 PolarHBondContact O-N 3.28Å; N524-W528 PolarHBondContact O-N 2.98Å
525	R	98.4	Very high	96.9	Very high	61 Å²	61	58.1 Å²	58.1	23%	0.23	29%	0.287	C	S	.	.	H	α-helix	trans	-61.7	-44.7	174.7	-176.6	177.8	-177.4	-103.5	4	112.4	I435 I438 D439 V521 Y522 Q523 R527 W528 K529	I435-R525 HydrophobicContact CG2-CG 4.47Å; I438-R525 HydrophobicContact CD1-CB 4.18Å; I438-R525 HydrophobicContact CG2-CB 4.29Å; I438-R525 HydrophobicContact CG2-CG 4.49Å; D439-R525 VanDerWaalsContact CG-NE 3.3Å; D439-R525 VanDerWaalsContact OD1-CD 3.28Å; D439-R525 WeakPolarHBondContact OD1-CD 3.48Å; D439-R525 IonicContact OD1-CZ 2.76Å; D439-R525 IonicContact OD1-NE 3.12Å; D439-R525 PolarHBondContact OD1-NE 3.38Å; D439-R525 IonicContact OD1-NH2 3.81Å; D439-R525 IonicContact OD2-CZ 3.65Å; D439-R525 IonicContact OD2-NE 3.88Å; D439-R525 PolarHBondContact OD2-NE 2.9Å; D439-R525 VanDerWaalsContact OD2-NE 3.08Å; D439-R525 IonicContact OD2-NH2 3.52Å; D439-R525 PolarHBondContact OD2-NH2 3.37Å; V521-R525 WeakPolarHBondContact O-CB 3.39Å; V521-R525 PolarHBondContact O-N 3.11Å; Y522-R525 PolarHBondContact O-N 3.18Å; Q523-R525 VanDerWaalsContact C-N 3.33Å; Q523-R525 PolarHBondContact O-N 3.19Å; R525-R527 VanDerWaalsContact C-N 3.33Å; R525-R527 PolarHBondContact O-N 2.98Å; R525-W528 PolarHBondContact O-N 3.34Å; R525-K529 VanDerWaalsContact CZ-CE 3.41Å; R525-K529 WeakPolarHBondContact O-CG 3.44Å; R525-K529 PolarHBondContact O-N 3.5Å
526	E	98.4	Very high	96.7	Very high	66 Å²	66	57.6 Å²	57.6	31%	0.308	28%	0.283	S	S	.	.	H	α-helix	trans	-66.3	-36.3	178.3	-66.6	-54.3	110.9	0	0	111.9	Y522 Q523 K529 A530	Y522-E526 HydrophobicContact CD2-CG 4.4Å; Y522-E526 HydrophobicContact CE1-CG 4.08Å; Y522-E526 HydrophobicContact CE2-CG 3.96Å; Y522-E526 WeakPolarHBondContact O-CG 3.35Å; Y522-E526 PolarHBondContact O-N 3.21Å; Q523-E526 PolarHBondContact O-N 3.35Å; E526-K529 PolarHBondContact O-N 3.3Å; E526-K529 WeakPolarHBondContact OE1-CD 3.48Å; E526-K529 WeakPolarHBondContact OE1-CE 3.47Å; E526-K529 IonicContact OE1-NZ 2.64Å; E526-K529 PolarHBondContact OE1-NZ 3.02Å; E526-K529 IonicContact OE2-NZ 3.86Å; E526-A530 PolarHBondContact O-N 2.98Å
527	R	98.4	Very high	96.5	Very high	114 Å²	114	61.3 Å²	61.3	43%	0.43	30%	0.299	S	S	.	.	H	α-helix	trans	-61.6	-44.7	171.9	-71.1	177.6	-172	-136.3	6.3	111.7	W391 Q523 N524 R525 A530 Q531	W391-R527 VanDerWaalsContact CB-NH1 3.32Å; W391-R527 HydrophobicContact CD2-CB 4.43Å; W391-R527 HydrophobicContact CD2-CG 4.5Å; W391-R527 HydrophobicContact CE3-CB 3.86Å; W391-R527 HydrophobicContact CE3-CG 4.26Å; W391-R527 HydrophobicContact CH2-CB 3.94Å; W391-R527 HydrophobicContact CZ2-CB 4.49Å; W391-R527 HydrophobicContact CZ3-CB 3.59Å; W391-R527 HydrophobicContact CZ3-CG 4.46Å; Q523-R527 WeakPolarHBondContact O-CG 3.33Å; Q523-R527 PolarHBondContact O-N 3.02Å; N524-R527 PolarHBondContact O-N 3.28Å; R525-R527 VanDerWaalsContact C-N 3.33Å; R525-R527 PolarHBondContact O-N 2.98Å; R527-A530 PolarHBondContact O-N 3.33Å; R527-Q531 PolarHBondContact O-N 2.79Å
528	W	98.3	Very high	96.2	Very high	10 Å²	10	67.2 Å²	67.2	4%	0.038	33%	0.326	C	S	.	.	H	α-helix	trans	-64.8	-37.9	175	-74.2	124.3	0	0	0	113.1	W391 H394 H395 T398 V430 A431 Q434 I435 N524 R525 A530 Q531 A532	W391-W528 HydrophobicContact CH2-CD2 4.02Å; W391-W528 AromaticContact CH2-CE2 3.79Å; W391-W528 HydrophobicContact CH2-CE3 4.25Å; W391-W528 HydrophobicContact CH2-CH2 4.07Å; W391-W528 AromaticContact CH2-CZ2 3.82Å; W391-W528 HydrophobicContact CH2-CZ2 3.82Å; W391-W528 HydrophobicContact CH2-CZ3 4.28Å; W391-W528 HydrophobicContact CZ3-CD2 4.14Å; W391-W528 AromaticContact CZ3-CE2 3.72Å; W391-W528 HydrophobicContact CZ3-CG 4.39Å; W391-W528 HydrophobicContact CZ3-CZ2 4.05Å; W391-W528 AromaticContact CZ3-NE1 3.75Å; H394-W528 AromaticContact CD2-NE1 3.55Å; H394-W528 AromaticContact CE1-NE1 3.9Å; H394-W528 AromaticContact NE2-CD1 3.74Å; H394-W528 AromaticContact NE2-CE2 3.8Å; H394-W528 AromaticContact NE2-NE1 2.83Å; H394-W528 PolarHBondContact NE2-NE1 3.42Å; H395-W528 AromaticContact CD2-CH2 3.9Å; T398-W528 HydrophobicContact CG2-CH2 4.08Å; T398-W528 HydrophobicContact CG2-CZ2 3.82Å; V430-W528 HydrophobicContact CG1-CH2 4.1Å; V430-W528 HydrophobicContact CG1-CZ3 3.99Å; A431-W528 HydrophobicContact CB-CE3 3.83Å; Q434-W528 HydrophobicContact CB-CD2 3.95Å; Q434-W528 HydrophobicContact CB-CG 3.88Å; Q434-W528 HydrophobicContact CG-CD2 4.23Å; Q434-W528 HydrophobicContact CG-CZ2 3.98Å; I435-W528 HydrophobicContact CD1-CB 4.22Å; I435-W528 HydrophobicContact CG1-CB 3.74Å; N524-W528 PolarHBondContact O-N 2.98Å; R525-W528 PolarHBondContact O-N 3.34Å; W528-A530 PolarHBondContact O-N 3.24Å; W528-Q531 HydrophobicContact CE3-CB 4.24Å; W528-Q531 HydrophobicContact CE3-CG 4.29Å; W528-Q531 HydrophobicContact CZ3-CG 4.35Å; W528-Q531 CarbonylContact O-C 3.6Å; W528-Q531 WeakPolarHBondContact O-CB 3.35Å; W528-Q531 PolarHBondContact O-N 3.49Å; W528-A532 WeakPolarHBondContact O-CB 3.37Å; W528-A532 PolarHBondContact O-N 2.91Å
529	K	97.8	Very high	95.8	Very high	67 Å²	67	69.1 Å²	69.1	29%	0.291	33%	0.329	S	S	.	.	H	α-helix	trans	-60.9	-45.2	173.7	-75.9	179.2	-178.2	171.3	0	112.3	I435 R525 E526 Q531 A532 T533	I435-K529 HydrophobicContact CD1-CB 4.37Å; I435-K529 HydrophobicContact CD1-CG 3.71Å; I435-K529 HydrophobicContact CG1-CG 4.26Å; R525-K529 VanDerWaalsContact CZ-CE 3.41Å; R525-K529 WeakPolarHBondContact O-CG 3.44Å; R525-K529 PolarHBondContact O-N 3.5Å; E526-K529 PolarHBondContact O-N 3.3Å; E526-K529 WeakPolarHBondContact OE1-CD 3.48Å; E526-K529 WeakPolarHBondContact OE1-CE 3.47Å; E526-K529 IonicContact OE1-NZ 2.64Å; E526-K529 PolarHBondContact OE1-NZ 3.02Å; E526-K529 IonicContact OE2-NZ 3.86Å; K529-Q531 PolarHBondContact O-N 3Å; K529-A532 PolarHBondContact O-N 2.96Å; K529-T533 PolarHBondContact O-N 3.47Å; K529-T533 PolarHBondContact O-OG1 2.73Å
530	A	97.3	Very high	95.4	Very high	53 Å²	53	67.3 Å²	67.3	44%	0.438	33%	0.33	S	S	.	.	H	α-helix	trans	-59.8	-39.2	176.5	0	0	0	0	0	111.2	E526 R527 W528 K534	E526-A530 PolarHBondContact O-N 2.98Å; R527-A530 PolarHBondContact O-N 3.33Å; W528-A530 PolarHBondContact O-N 3.24Å; A530-K534 WeakPolarHBondContact O-CG 3.47Å; A530-K534 PolarHBondContact O-N 2.76Å
531	Q	95.7	Very high	95.1	Very high	77 Å²	77	72.1 Å²	72.1	36%	0.36	35%	0.351	S	S	.	.	H	α-helix	trans	-67.8	-43.3	175.5	-173.4	60.5	25.6	0	0	112.4	A431 R527 W528 K529 T533 K534 E535	A431-Q531 HydrophobicContact CB-CB 4.2Å; A431-Q531 HydrophobicContact CB-CG 4.17Å; R527-Q531 PolarHBondContact O-N 2.79Å; W528-Q531 HydrophobicContact CE3-CB 4.24Å; W528-Q531 HydrophobicContact CE3-CG 4.29Å; W528-Q531 HydrophobicContact CZ3-CG 4.35Å; W528-Q531 CarbonylContact O-C 3.6Å; W528-Q531 WeakPolarHBondContact O-CB 3.35Å; W528-Q531 PolarHBondContact O-N 3.49Å; K529-Q531 PolarHBondContact O-N 3Å; Q531-T533 VanDerWaalsContact C-N 3.32Å; Q531-T533 PolarHBondContact O-N 3.15Å; Q531-K534 PolarHBondContact O-N 3.02Å; Q531-E535 HydrophobicContact CG-CG 4.5Å; Q531-E535 WeakPolarHBondContact CG-OE1 3.38Å; Q531-E535 PolarHBondContact NE2-OE1 3.14Å; Q531-E535 VanDerWaalsContact NE2-OE1 3.11Å; Q531-E535 WeakPolarHBondContact O-CG 3.41Å; Q531-E535 PolarHBondContact O-N 3.32Å
532	A	94.5	Very high	94.7	Very high	14 Å²	14	78 Å²	78	12%	0.116	38%	0.376	C	S	.	.	H	α-helix	trans	-61.2	-39	178	0	0	0	0	0	112.3	A431 Q432 I435 W528 K529 A536	A431-A532 HydrophobicContact CB-CB 3.71Å; Q432-A532 HydrophobicContact CG-CB 4.29Å; I435-A532 HydrophobicContact CD1-CB 4.28Å; W528-A532 WeakPolarHBondContact O-CB 3.37Å; W528-A532 PolarHBondContact O-N 2.91Å; K529-A532 PolarHBondContact O-N 2.96Å; A532-A536 WeakPolarHBondContact O-CB 3.35Å; A532-A536 PolarHBondContact O-N 2.7Å
533	T	95.1	Very high	94.3	Very high	80 Å²	80	76.2 Å²	76.2	49%	0.491	37%	0.372	S	S	.	.	H	α-helix	trans	-62.9	-46.5	174.6	-57.6	0	0	0	0	111	K529 Q531 E535 A536 E537	K529-T533 PolarHBondContact O-N 3.47Å; K529-T533 PolarHBondContact O-OG1 2.73Å; Q531-T533 VanDerWaalsContact C-N 3.32Å; Q531-T533 PolarHBondContact O-N 3.15Å; T533-E535 PolarHBondContact O-N 3.22Å; T533-A536 PolarHBondContact O-N 3.01Å; T533-E537 WeakPolarHBondContact O-CG 3.41Å; T533-E537 PolarHBondContact O-N 3.4Å
534	K	93.1	Very high	94	Very high	117 Å²	117	75.5 Å²	75.5	51%	0.509	38%	0.379	S	S	.	.	H	α-helix	trans	-61	-45.7	177	-70.1	175.4	-178.2	179.4	0	112.1	A530 Q531 A536 E537 E538	A530-K534 WeakPolarHBondContact O-CG 3.47Å; A530-K534 PolarHBondContact O-N 2.76Å; Q531-K534 PolarHBondContact O-N 3.02Å; K534-A536 VanDerWaalsContact C-N 3.3Å; K534-A536 PolarHBondContact O-N 3.19Å; K534-E537 PolarHBondContact O-N 2.87Å; K534-E538 WeakPolarHBondContact O-CG 3.46Å; K534-E538 PolarHBondContact O-N 2.94Å
535	E	91.4	Very high	93.6	Very high	51 Å²	51	79.9 Å²	79.9	24%	0.238	40%	0.399	C	S	.	.	H	α-helix	trans	-61.6	-38.2	177.8	-73.6	171.9	-170.7	0	0	112.1	Q531 T533 R539	Q531-E535 HydrophobicContact CG-CG 4.5Å; Q531-E535 WeakPolarHBondContact CG-OE1 3.38Å; Q531-E535 PolarHBondContact NE2-OE1 3.14Å; Q531-E535 VanDerWaalsContact NE2-OE1 3.11Å; Q531-E535 WeakPolarHBondContact O-CG 3.41Å; Q531-E535 PolarHBondContact O-N 3.32Å; T533-E535 PolarHBondContact O-N 3.22Å; E535-R539 WeakPolarHBondContact O-CB 3.41Å; E535-R539 PolarHBondContact O-N 3.41Å
536	A	90.9	Very high	93.2	Very high	48 Å²	48	82.4 Å²	82.4	40%	0.397	41%	0.413	S	S	.	.	H	α-helix	trans	-68.2	-42.1	176.1	0	0	0	0	0	112.2	A532 T533 K534 R539 A540	A532-A536 WeakPolarHBondContact O-CB 3.35Å; A532-A536 PolarHBondContact O-N 2.7Å; T533-A536 PolarHBondContact O-N 3.01Å; K534-A536 VanDerWaalsContact C-N 3.3Å; K534-A536 PolarHBondContact O-N 3.19Å; A536-R539 PolarHBondContact O-N 3.28Å; A536-A540 WeakPolarHBondContact O-CB 3.42Å; A536-A540 PolarHBondContact O-N 3.29Å
537	E	92.6	Very high	92.7	Very high	130 Å²	130	87 Å²	87	61%	0.607	43%	0.428	S	S	*	.	H	α-helix	trans	-62.7	-45.5	175.7	-73.3	173.7	-175.3	0	0	111.7	T533 K534 R539 A540 K541	T533-E537 WeakPolarHBondContact O-CG 3.41Å; T533-E537 PolarHBondContact O-N 3.4Å; K534-E537 PolarHBondContact O-N 2.87Å; E537-R539 PolarHBondContact O-N 3.4Å; E537-A540 PolarHBondContact O-N 3.05Å; E537-K541 WeakPolarHBondContact O-CB 3.36Å; E537-K541 PolarHBondContact O-N 3.06Å
538	E	90.4	Very high	92.3	Very high	124 Å²	124	83.8 Å²	83.8	58%	0.579	43%	0.425	S	S	*	.	H	α-helix	trans	-63.5	-40.2	177.1	-75.2	-178	-176.5	0	0	112.4	K534 K541 K542	K534-E538 WeakPolarHBondContact O-CG 3.46Å; K534-E538 PolarHBondContact O-N 2.94Å; E538-K541 PolarHBondContact O-N 3.5Å; E538-K542 WeakPolarHBondContact O-CG 3.47Å; E538-K542 PolarHBondContact O-N 2.97Å
539	R	88.4	Confident	91.6	Very high	103 Å²	103	89.3 Å²	89.3	39%	0.389	45%	0.452	S	S	.	.	H	α-helix	trans	-65.3	-46.9	175.4	-176.3	179.2	-61.9	151.1	6.7	111.6	L429 E535 A536 E537 K541 K542 E543	L429-R539 VanDerWaalsContact CD2-CZ 3.45Å; E535-R539 WeakPolarHBondContact O-CB 3.41Å; E535-R539 PolarHBondContact O-N 3.41Å; A536-R539 PolarHBondContact O-N 3.28Å; E537-R539 PolarHBondContact O-N 3.4Å; R539-K541 PolarHBondContact O-N 3.46Å; R539-K542 PolarHBondContact O-N 3.38Å; R539-K542 VanDerWaalsContact O-N 3.14Å; R539-E543 WeakPolarHBondContact CD-OE1 3.46Å; R539-E543 HydrophobicContact CG-CG 4.32Å; R539-E543 WeakPolarHBondContact CG-OE1 3.48Å; R539-E543 WeakPolarHBondContact O-CG 3.37Å; R539-E543 PolarHBondContact O-N 3.43Å
540	A	91.4	Very high	90.6	Very high	57 Å²	57	92.3 Å²	92.3	47%	0.471	47%	0.467	S	S	.	.	H	α-helix	trans	-58.7	-37.1	177.2	0	0	0	0	0	111.5	A536 E537 A544	A536-A540 WeakPolarHBondContact O-CB 3.42Å; A536-A540 PolarHBondContact O-N 3.29Å; E537-A540 PolarHBondContact O-N 3.05Å; A540-A544 WeakPolarHBondContact O-CB 3.38Å; A540-A544 PolarHBondContact O-N 2.97Å
541	K	92.1	Very high	89.8	Confident	136 Å²	136	96.6 Å²	96.6	59%	0.591	48%	0.478	S	S	*	.	H	α-helix	trans	-65	-47.1	174.3	-169.3	-176.4	178.9	-162.1	0	112.2	E537 E538 R539 A544 E545	E537-K541 WeakPolarHBondContact O-CB 3.36Å; E537-K541 PolarHBondContact O-N 3.06Å; E538-K541 PolarHBondContact O-N 3.5Å; R539-K541 PolarHBondContact O-N 3.46Å; K541-A544 PolarHBondContact O-N 2.88Å; K541-E545 WeakPolarHBondContact CE-OE1 3.35Å; K541-E545 IonicContact NZ-OE1 3.77Å; K541-E545 WeakPolarHBondContact O-CG 3.34Å; K541-E545 PolarHBondContact O-N 3.29Å
542	K	89.4	Confident	88.9	Confident	129 Å²	129	100 Å²	100	56%	0.561	49%	0.494	S	S	*	.	H	α-helix	trans	-61.6	-44	176.5	-74	178.9	-179	176.1	0	112.2	E538 R539 A544 E545 E546	E538-K542 WeakPolarHBondContact O-CG 3.47Å; E538-K542 PolarHBondContact O-N 2.97Å; R539-K542 PolarHBondContact O-N 3.38Å; R539-K542 VanDerWaalsContact O-N 3.14Å; K542-A544 VanDerWaalsContact C-N 3.3Å; K542-A544 PolarHBondContact O-N 2.92Å; K542-E545 PolarHBondContact O-N 3.49Å; K542-E546 WeakPolarHBondContact O-CG 3.19Å; K542-E546 PolarHBondContact O-N 3.5Å
543	E	90.4	Very high	87.8	Confident	91 Å²	91	103.5 Å²	103.5	43%	0.425	52%	0.523	S	S	.	.	H	α-helix	trans	-63	-36.6	177.1	-72.1	176.8	-167.1	0	0	111.9	R539 R547	R539-E543 WeakPolarHBondContact CD-OE1 3.46Å; R539-E543 HydrophobicContact CG-CG 4.32Å; R539-E543 WeakPolarHBondContact CG-OE1 3.48Å; R539-E543 WeakPolarHBondContact O-CG 3.37Å; R539-E543 PolarHBondContact O-N 3.43Å; E543-R547 WeakPolarHBondContact O-CB 3.3Å; E543-R547 VanDerWaalsContact O-CG 3.3Å; E543-R547 WeakPolarHBondContact O-CG 3.42Å; E543-R547 PolarHBondContact O-N 3.08Å
544	A	91.4	Very high	86.3	Confident	58 Å²	58	107.4 Å²	107.4	48%	0.479	54%	0.537	S	S	.	.	H	α-helix	trans	-68.5	-41.3	174.1	0	0	0	0	0	112.3	A540 K541 K542 R547 A548	A540-A544 WeakPolarHBondContact O-CB 3.38Å; A540-A544 PolarHBondContact O-N 2.97Å; K541-A544 PolarHBondContact O-N 2.88Å; K542-A544 VanDerWaalsContact C-N 3.3Å; K542-A544 PolarHBondContact O-N 2.92Å; A544-R547 PolarHBondContact O-N 3.44Å; A544-A548 WeakPolarHBondContact O-CB 3.47Å; A544-A548 PolarHBondContact O-N 3.44Å
545	E	90.2	Very high	84.5	Confident	92 Å²	92	109.5 Å²	109.5	43%	0.43	55%	0.549	S	S	.	.	H	α-helix	trans	-64	-43	175.5	-73.3	172.8	-174.4	0	0	111.8	K541 K542 A548 Q549	K541-E545 WeakPolarHBondContact CE-OE1 3.35Å; K541-E545 IonicContact NZ-OE1 3.77Å; K541-E545 WeakPolarHBondContact O-CG 3.34Å; K541-E545 PolarHBondContact O-N 3.29Å; K542-E545 PolarHBondContact O-N 3.49Å; E545-A548 PolarHBondContact O-N 3.28Å; E545-Q549 WeakPolarHBondContact O-CG 3.42Å; E545-Q549 PolarHBondContact O-N 3.03Å
546	E	89	Confident	82.7	Confident	113 Å²	113	112.7 Å²	112.7	53%	0.528	57%	0.574	S	S	.	*	H	α-helix	trans	-65.1	-39.6	176.5	-74.4	176.3	-174.5	0	0	112.2	K542 Q549 Q550	K542-E546 WeakPolarHBondContact O-CG 3.19Å; K542-E546 PolarHBondContact O-N 3.5Å; E546-Q549 PolarHBondContact O-N 3.37Å; E546-Q550 WeakPolarHBondContact O-CG 3.48Å; E546-Q550 PolarHBondContact O-N 3.36Å
547	R	89.3	Confident	80.6	Confident	163 Å²	163	119 Å²	119	62%	0.615	60%	0.595	S	S	*	*	H	α-helix	trans	-64.1	-44	174.1	-76.9	179.7	-169.2	-170.3	6.2	112	E543 A544 Q549 Q550 E551	E543-R547 WeakPolarHBondContact O-CB 3.3Å; E543-R547 VanDerWaalsContact O-CG 3.3Å; E543-R547 WeakPolarHBondContact O-CG 3.42Å; E543-R547 PolarHBondContact O-N 3.08Å; A544-R547 PolarHBondContact O-N 3.44Å; R547-Q549 VanDerWaalsContact C-N 3.33Å; R547-Q549 PolarHBondContact O-N 2.95Å; R547-Q550 PolarHBondContact O-N 3.24Å; R547-E551 WeakPolarHBondContact O-CG 3.39Å; R547-E551 PolarHBondContact O-N 3.46Å
548	A	88.5	Confident	78.4	Confident	46 Å²	46	121.9 Å²	121.9	38%	0.38	61%	0.609	S	S	.	*	H	α-helix	trans	-61.4	-41.1	177.2	0	0	0	0	0	111.9	A544 E545 Q550 E551 E552	A544-A548 WeakPolarHBondContact O-CB 3.47Å; A544-A548 PolarHBondContact O-N 3.44Å; E545-A548 PolarHBondContact O-N 3.28Å; A548-Q550 PolarHBondContact O-N 3.43Å; A548-E551 PolarHBondContact O-N 2.97Å; A548-E552 PolarHBondContact O-N 3.31Å
549	Q	84.1	Confident	76.1	Confident	127 Å²	127	121.6 Å²	121.6	59%	0.593	62%	0.615	S	S	*	*	H	α-helix	trans	-66.6	-35	176.3	-71.5	174.1	20.6	0	0	113.1	E545 E546 R547 A553	E545-Q549 WeakPolarHBondContact O-CG 3.42Å; E545-Q549 PolarHBondContact O-N 3.03Å; E546-Q549 PolarHBondContact O-N 3.37Å; R547-Q549 VanDerWaalsContact C-N 3.33Å; R547-Q549 PolarHBondContact O-N 2.95Å; Q549-A553 WeakPolarHBondContact O-CB 3.38Å; Q549-A553 PolarHBondContact O-N 3.27Å; Q549-A553 VanDerWaalsContact O-N 3.08Å
550	Q	78.3	Confident	74.1	Confident	129 Å²	129	125.8 Å²	125.8	60%	0.603	64%	0.639	S	S	*	*	H	α-helix	trans	-69.8	-35.3	174.5	-73.4	175.8	13.4	0	0	112.2	E546 R547 A548 M554	E546-Q550 WeakPolarHBondContact O-CG 3.48Å; E546-Q550 PolarHBondContact O-N 3.36Å; R547-Q550 PolarHBondContact O-N 3.24Å; A548-Q550 PolarHBondContact O-N 3.43Å; Q550-M554 PolarHBondContact O-N 3.01Å
551	E	80.5	Confident	71.5	Confident	143 Å²	143	127.3 Å²	127.3	67%	0.668	65%	0.651	S	S	*	*	H	α-helix	trans	-68.8	-42.9	175	-72.9	174.7	-176.7	0	0	111.7	R547 A548 A553 M554	R547-E551 WeakPolarHBondContact O-CG 3.39Å; R547-E551 PolarHBondContact O-N 3.46Å; A548-E551 PolarHBondContact O-N 2.97Å; E551-A553 VanDerWaalsContact C-N 3.35Å; E551-A553 PolarHBondContact O-N 3.23Å; E551-M554 PolarHBondContact O-N 3.02Å
552	E	75.9	Confident	69.3	Low	150 Å²	150	130.2 Å²	130.2	70%	0.701	67%	0.667	S	S	*	*	H	α-helix	trans	-65.5	-33.4	174.7	-74.6	-178.2	176.1	0	0	112.9	A548 M554 E555	A548-E552 PolarHBondContact O-N 3.31Å; E552-M554 PolarHBondContact O-N 2.98Å; E552-E555 PolarHBondContact O-N 3.49Å
553	A	71.1	Confident	66.7	Low	87 Å²	87	129.4 Å²	129.4	72%	0.719	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.5	-11.8	176.9	0	0	0	0	0	114.1	Q549 E551	Q549-A553 WeakPolarHBondContact O-CB 3.38Å; Q549-A553 PolarHBondContact O-N 3.27Å; Q549-A553 VanDerWaalsContact O-N 3.08Å; E551-A553 VanDerWaalsContact C-N 3.35Å; E551-A553 PolarHBondContact O-N 3.23Å
554	M	63.9	Low	64	Low	162 Å²	162	134.3 Å²	134.3	80%	0.798	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.6	-0.5	177.9	-79.6	-175.7	63.7	0	0	113.9	Q550 E551 E552	Q550-M554 PolarHBondContact O-N 3.01Å; E551-M554 PolarHBondContact O-N 3.02Å; E552-M554 PolarHBondContact O-N 2.98Å
555	E	55.7	Low	61.1	Low	160 Å²	160	141.8 Å²	141.8	75%	0.748	72%	0.718	S	S	*	*			trans	-71.5	125.4	172.6	-79.6	-162.2	152.7	0	0	111.5	E552	E552-E555 PolarHBondContact O-N 3.49Å
556	P	52.9	Low	58.7	Low	118 Å²	118	143.4 Å²	143.4	77%	0.766	74%	0.737	S	S	*	*			trans	-71	131.2	175.1	-10.6	25.4	0	0	0	111.1	E558	P556-E558 PolarHBondContact O-N 2.97Å
557	Q	47.8	Very low	55.9	Low	180 Å²	180	145.8 Å²	145.8	84%	0.841	75%	0.748	S	S	*	*			trans	-62.7	100.8	163.7	-78.2	-178.8	-17.9	0	0	109.9	V559	Q557-V559 VanDerWaalsContact C-N 3.29Å; Q557-V559 HydrophobicContact CB-CG2 4.39Å; Q557-V559 PolarHBondContact O-N 2.99Å
558	E	44.7	Very low	53.2	Low	192 Å²	192	147.6 Å²	147.6	90%	0.897	76%	0.763	S	S	*	*			trans	-68.2	91.6	159.3	-80.6	-168.4	161.8	0	0	108.8	P556 Q560	P556-E558 PolarHBondContact O-N 2.97Å; E558-Q560 PolarHBondContact O-N 3.25Å
559	V	42.8	Very low	50.5	Low	118 Å²	118	154.1 Å²	154.1	72%	0.715	78%	0.783	S	S	*	*			trans	-72	118.6	167.2	178.3	0	0	0	0	108.3	Q557 A561	Q557-V559 VanDerWaalsContact C-N 3.29Å; Q557-V559 HydrophobicContact CB-CG2 4.39Å; Q557-V559 PolarHBondContact O-N 2.99Å; V559-A561 PolarHBondContact O-N 3.42Å
560	Q	46.3	Very low	47.9	Very low	191 Å²	191	155.8 Å²	155.8	89%	0.893	79%	0.791	S	S	*	*			trans	-50.1	118.9	165.9	-71.7	172	-13.3	0	0	110.3	E558	E558-Q560 PolarHBondContact O-N 3.25Å
561	A	38	Very low	45.6	Very low	88 Å²	88	157.5 Å²	157.5	73%	0.727	80%	0.804	S	S	*	*			trans	-115.9	97.7	166	0	0	0	0	0	108.9	V559 S563	V559-A561 PolarHBondContact O-N 3.42Å; A561-S563 PolarHBondContact O-N 3.48Å
562	E	44.1	Very low	43.2	Very low	198 Å²	198	159.1 Å²	159.1	93%	0.925	81%	0.809	S	S	*	*			trans	-55.2	128.8	151.9	-74.6	179.4	147.8	0	0	108.1
563	S	35	Very low	41	Very low	112 Å²	112	156.9 Å²	156.9	78%	0.783	81%	0.81	S	S	*	*			trans	-140.3	116.4	163.1	51.8	0	0	0	0	110.3	A561	A561-S563 PolarHBondContact O-N 3.48Å
564	E	35.1	Very low	39.1	Very low	193 Å²	193	159.9 Å²	159.9	90%	0.902	81%	0.814	S	S	*	*			trans	-62.5	146	170.1	-67.9	173.8	134.6	0	0	111.2
565	Y	29.8	Very low	37.5	Very low	215 Å²	215	156.8 Å²	156.8	84%	0.843	81%	0.808	S	S	*	*			trans	-58.9	158.1	169.3	-79.8	-89.9	0	0	0	112.5
566	P	40	Very low	36.3	Very low	127 Å²	127	159.1 Å²	159.1	83%	0.825	82%	0.816	S	S	*	*				-138.3	151.2	99.2	30.1	-13.2	0	0	0	115.5
567	E	30.8	Very low	35.5	Very low	162 Å²	162	160 Å²	160	76%	0.757	82%	0.818	S	S	*	*			trans	-56.7	145.7	174.7	-59.9	173.4	129	0	0	114.6
568	Q	31.5	Very low	35.5	Very low	202 Å²	202	156.8 Å²	156.8	94%	0.944	81%	0.813	S	S	*	*			trans	-143.7	142.2	139.1	-75.7	-162.5	-12.8	0	0	112
569	K	31.4	Very low	34.8	Very low	183 Å²	183	155.8 Å²	155.8	80%	0.796	81%	0.808	S	S	*	*			trans	-86.3	146.7	-165.8	-73.1	173.9	172.6	174.1	0	114.9
570	E	30.7	Very low	34.2	Very low	162 Å²	162	155 Å²	155	76%	0.757	81%	0.808	S	S	*	*			trans	24.4	131.9	142.4	-63.2	-173.6	144	0	0	121.7
571	N	29.2	Very low	33.6	Very low	164 Å²	164	149.7 Å²	149.7	88%	0.877	80%	0.797	S	S	*	*				-159.4	153.5	116.1	-103.4	-29.5	0	0	0	114.3
572	K	31	Very low	33.3	Very low	177 Å²	177	154.1 Å²	154.1	77%	0.77	80%	0.803	S	S	*	*			trans	-83.3	166	-156.3	-74.3	170	168.2	171.3	0	117.9
573	S	29.4	Very low	32.9	Very low	104 Å²	104	150 Å²	150	73%	0.727	79%	0.791	S	S	*	*			trans	68.1	138.2	144.3	53.7	0	0	0	0	117
574	D	31	Very low	32.7	Very low	150 Å²	150	149.4 Å²	149.4	80%	0.802	79%	0.786	S	S	*	*			cis	-162.6	169.7	46.4	-137.3	-27.5	0	0	0	114.2
575	S	30.3	Very low	32.5	Very low	96 Å²	96	151.7 Å²	151.7	67%	0.671	79%	0.787	S	S	*	*			trans	-75.2	144.7	-168.6	-28.8	0	0	0	0	115.8
576	K	31.4	Very low	32.7	Very low	210 Å²	210	146.8 Å²	146.8	91%	0.913	78%	0.784	S	S	*	*				170.2	129.1	118.8	-99.3	173.7	174	176	0	114.5
577	V	35.4	Very low	33.4	Very low	135 Å²	135	145.7 Å²	145.7	82%	0.818	78%	0.777	S	S	*	*			trans	-109.5	149.9	160.1	175	0	0	0	0	104
578	P	47.7	Very low	33.5	Very low	113 Å²	113	145.6 Å²	145.6	73%	0.734	78%	0.781	S	S	*	*				-145.1	175	67.3	33.1	-6.4	0	0	0	113
579	E	29.1	Very low	33.4	Very low	171 Å²	171	139.3 Å²	139.3	80%	0.799	77%	0.771	S	S	*	*				-171.5	138.4	51.7	-163.6	166.2	-175.7	0	0	111.5
580	S	30.6	Very low	33.4	Very low	102 Å²	102	137.6 Å²	137.6	71%	0.713	77%	0.771	S	S	*	*			trans	-27.3	158.4	152.5	42.1	0	0	0	0	116.2
581	A	33.6	Very low	33.5	Very low	79 Å²	79	135.8 Å²	135.8	65%	0.653	77%	0.771	S	S	*	*			cis	-168.2	140.5	49.3	0	0	0	0	0	109.9
582	E	32.5	Very low	33.5	Very low	182 Å²	182	131.8 Å²	131.8	85%	0.85	77%	0.768	S	S	*	*				63.4	140.6	100	-68.2	-162.9	159.4	0	0	114.6
583	V	34.7	Very low	33.6	Very low	112 Å²	112	132.2 Å²	132.2	68%	0.679	77%	0.773	S	S	*	*			cis	-179	142.7	14.3	134	0	0	0	0	103.1
584	S	31.7	Very low	34.8	Very low	98 Å²	98	132 Å²	132	69%	0.685	77%	0.77	S	S	*	*				161.9	140	90.1	29	0	0	0	0	112.8
585	R	30.4	Very low	34.8	Very low	242 Å²	242	134.7 Å²	134.7	91%	0.913	77%	0.774	S	S	*	*			trans	73.5	110.4	132.6	-69.5	179.1	178.3	-176.4	-0.3	122.3
586	S	33.6	Very low	34.7	Very low	111 Å²	111	139 Å²	139	78%	0.776	78%	0.783	S	S	*	*			trans	-67.6	-169.8	142.6	-28.8	0	0	0	0	111.8
587	P	54.7	Low	34.5	Very low	104 Å²	104	133.3 Å²	133.3	68%	0.675	78%	0.776	S	S	*	*			cis	-136.5	170.6	-3.4	35.4	-12.7	0	0	0	114
588	D	33.4	Very low	34.1	Very low	160 Å²	160	134.5 Å²	134.5	86%	0.856	78%	0.777	S	S	*	*				146.6	151.2	110.2	-88.5	-25.8	0	0	0	105.2
589	G	30.2	Very low	33.9	Very low	71 Å²	71	134.5 Å²	134.5	73%	0.732	78%	0.777	S	S	*	*			cis	169.2	154.7	2.4	0	0	0	0	0	108.6
590	N	31.1	Very low	34.1	Very low	147 Å²	147	132.5 Å²	132.5	79%	0.786	78%	0.779	S	S	*	*			trans	86.8	115.9	151.4	-120.3	29.3	0	0	0	124.1
591	T	33.2	Very low	33.9	Very low	123 Å²	123	131 Å²	131	76%	0.755	78%	0.78	S	S	*	*			trans	69	125.7	130.8	50.5	0	0	0	0	123.6
592	G	28.7	Very low	33.6	Very low	80 Å²	80	137 Å²	137	83%	0.825	79%	0.791	S	S	*	*				125.1	103.1	130	0	0	0	0	0	117.9
593	E	32.3	Very low	33.4	Very low	186 Å²	186	134.8 Å²	134.8	87%	0.869	79%	0.791	S	S	*	*			trans	-80.4	180	154.4	-104.8	-170.7	-175.8	0	0	110.7
594	P	54.9	Low	33	Very low	101 Å²	101	133.5 Å²	133.5	66%	0.656	79%	0.786	S	S	*	*			cis	-137.1	173.1	-25.9	32.2	-12.7	0	0	0	113
595	K	30.7	Very low	32.9	Very low	206 Å²	206	136.4 Å²	136.4	90%	0.896	79%	0.789	S	S	*	*			trans	175.5	144.6	138.6	-99.4	171.5	-174.3	-175.7	0	116.2
596	Q	28.2	Very low	32.8	Very low	186 Å²	186	133.4 Å²	133.4	87%	0.869	79%	0.785	S	S	*	*			trans	-31.6	152.6	171.1	-68.7	169.7	-15.7	0	0	121.7
597	A	27.8	Very low	32.5	Very low	91 Å²	91	133.7 Å²	133.7	75%	0.752	79%	0.788	S	S	*	*				128.4	115.2	121.4	0	0	0	0	0	116.8
598	N	26.4	Very low	31.7	Very low	159 Å²	159	135.1 Å²	135.1	85%	0.85	80%	0.797	S	S	*	*			trans	30.4	165	147.5	-70.8	-5	0	0	0	122.6
599	P	43.5	Very low	31.5	Very low	113 Å²	113	135 Å²	135	73%	0.734	80%	0.795	S	S	*	*			cis	-128.5	-169.8	-47.3	37.6	-20.2	0	0	0	110.3
600	P	34.3	Very low	31.4	Very low	130 Å²	130	139 Å²	139	84%	0.844	80%	0.799	S	S	*	*			trans	-142.6	157.9	135.6	34.2	-17.8	0	0	0	114.8
601	G	26.7	Very low	31.3	Very low	71 Å²	71	139.3 Å²	139.3	73%	0.732	80%	0.796	S	S	*	*			trans	-101.1	-174.6	176.6	0	0	0	0	0	115.4
602	K	27.4	Very low	31.1	Very low	203 Å²	203	140.9 Å²	140.9	88%	0.883	80%	0.8	S	S	*	*			trans	76.7	119.3	160.6	-66.4	-173.6	177.5	-179.5	0	119.3
603	T	27.2	Very low	31.1	Very low	137 Å²	137	140.9 Å²	140.9	84%	0.84	80%	0.8	S	S	*	*				157.3	151.5	121.4	38.1	0	0	0	0	108.2
604	S	27.7	Very low	30.9	Very low	84 Å²	84	140.5 Å²	140.5	59%	0.587	80%	0.798	S	S	*	*			cis	177.7	165.5	-22.8	45	0	0	0	0	107.4
605	H	28.7	Very low	29.7	Very low	160 Å²	160	143.3 Å²	143.3	74%	0.741	81%	0.807	S	S	*	*			trans	98.3	105.3	168.8	-58.9	-65.2	0	0	0	116
606	Q	28.6	Very low	29.5	Very low	178 Å²	178	139.3 Å²	139.3	83%	0.832	80%	0.804	S	S	*	*				88.8	116.6	63.5	-94.7	-177.1	-16.6	0	0	113.5
607	S	26.8	Very low	29.6	Very low	118 Å²	118	139.9 Å²	139.9	83%	0.825	81%	0.807	S	S	*	*			trans	-141.7	145.5	158.4	-42.3	0	0	0	0	107.9
608	P	38.6	Very low	29.6	Very low	134 Å²	134	139.3 Å²	139.3	87%	0.87	81%	0.81	S	S	*	*			trans	-97	158.9	-164.6	19.4	-1.9	0	0	0	115.1
609	L	28.4	Very low	29.6	Very low	156 Å²	156	135.3 Å²	135.3	82%	0.817	81%	0.806	S	S	*	*			trans	-75.4	163	172.5	-81.3	131.6	0	0	0	113.9
610	L	28.3	Very low	29	Very low	155 Å²	155	139.4 Å²	139.4	81%	0.812	82%	0.815	S	S	*	*				157.9	124.7	122.1	-79.4	166.4	0	0	0	107.5
611	Q	29.5	Very low	28.9	Very low	154 Å²	154	138.5 Å²	138.5	72%	0.72	81%	0.813	S	S	*	*			cis	108.1	111.8	32.4	-165.1	170.7	29.7	0	0	112.3
612	N	29.3	Very low	30	Very low	157 Å²	157	140.3 Å²	140.3	84%	0.84	81%	0.811	S	S	*	*			trans	37.9	144.9	147.5	-59.4	-5	0	0	0	124
613	G	27.1	Very low	30.2	Very low	80 Å²	80	138.7 Å²	138.7	83%	0.825	81%	0.812	S	S	*	*			trans	173.5	130.3	151.6	0	0	0	0	0	115
614	E	28.9	Very low	30.3	Very low	178 Å²	178	135.4 Å²	135.4	83%	0.832	81%	0.806	S	S	*	*			trans	-91.1	162.9	-166.5	-70.4	170.4	124.2	0	0	117
615	L	29.5	Very low	30.5	Very low	160 Å²	160	139.9 Å²	139.9	84%	0.838	82%	0.817	S	S	*	*			trans	47.5	129.5	139.8	-65.7	163.8	0	0	0	122.8
616	S	27.3	Very low	30.7	Very low	121 Å²	121	139.2 Å²	139.2	85%	0.846	82%	0.815	S	S	*	*				-173.5	158.1	115.4	76.1	0	0	0	0	114.3
617	E	30.5	Very low	30.9	Very low	198 Å²	198	135.2 Å²	135.2	93%	0.925	80%	0.799	S	S	*	*			trans	-67.2	166.2	-174	-57.9	168	132.1	0	0	117.4
618	G	27.4	Very low	31.2	Very low	79 Å²	79	137.2 Å²	137.2	81%	0.814	79%	0.793	S	S	*	*			trans	134.8	104	136	0	0	0	0	0	118.8
619	G	26.4	Very low	30.9	Very low	75 Å²	75	137.3 Å²	137.3	77%	0.773	79%	0.786	S	S	*	*				92.6	127.4	120.9	0	0	0	0	0	121.9
620	E	29.7	Very low	31.1	Very low	199 Å²	199	139 Å²	139	93%	0.93	79%	0.787	S	S	*	*			trans	94.1	106.4	144.5	-63.1	-175.3	157.4	0	0	120.9
621	S	33.3	Very low	31.1	Very low	112 Å²	112	134.9 Å²	134.9	78%	0.783	78%	0.781	S	S	*	*			trans	-75.7	166.4	142.6	-42	0	0	0	0	109.5
622	P	48.9	Very low	31.2	Very low	109 Å²	109	136.9 Å²	136.9	71%	0.708	79%	0.793	S	S	*	*				-154.7	169.2	72.8	38.7	-16.7	0	0	0	118
623	D	32.9	Very low	31.3	Very low	168 Å²	168	134 Å²	134	90%	0.898	79%	0.786	S	S	*	*			trans	64.4	142.1	142.1	-66.5	-23.3	0	0	0	124.9
624	G	28.2	Very low	31.6	Very low	69 Å²	69	139.1 Å²	139.1	71%	0.711	79%	0.788	S	S	*	*			trans	135.2	69.8	150.9	0	0	0	0	0	114.5
625	E	31.7	Very low	31.8	Very low	177 Å²	177	135 Å²	135	83%	0.827	78%	0.784	S	S	*	*				76.2	118	98.2	-93.3	-166.9	164.8	0	0	117.4
626	E	33.2	Very low	32	Very low	147 Å²	147	131.5 Å²	131.5	69%	0.687	78%	0.778	S	S	*	*				73.9	119.2	128.2	-80.2	-155.7	152.2	0	0	123
627	N	33	Very low	32.4	Very low	93 Å²	93	134.5 Å²	134.5	50%	0.497	78%	0.781	S	S	.	*				109.4	118.7	114.9	-95.1	-28.6	0	0	0	119.3
628	K	32.6	Very low	32.7	Very low	160 Å²	160	138 Å²	138	70%	0.696	80%	0.797	S	S	*	*				89.4	104.3	125	-82.9	165.3	-173.3	156	0	120.1
629	N	31.8	Very low	32.9	Very low	136 Å²	136	141 Å²	141	73%	0.727	80%	0.797	S	S	*	*				92	140.6	99.1	-142.5	9.4	0	0	0	119
630	K	33	Very low	33.3	Very low	193 Å²	193	144.4 Å²	144.4	84%	0.839	80%	0.798	S	S	*	*			trans	75.2	127.4	166	-65	178.1	171.9	-179.6	0	116
631	G	29.4	Very low	33.5	Very low	67 Å²	67	141.4 Å²	141.4	69%	0.691	79%	0.79	S	S	*	*			cis	136.3	135.9	8.8	0	0	0	0	0	109.8
632	M	30.3	Very low	33.5	Very low	197 Å²	197	143.1 Å²	143.1	97%	0.97	79%	0.791	S	S	*	*			trans	61.1	144.6	161.3	-61.6	163.5	69.1	0	0	115.7
633	S	31.8	Very low	32.5	Very low	97 Å²	97	145.3 Å²	145.3	68%	0.678	80%	0.796	S	S	*	*			cis	-153	141.3	21.7	57.6	0	0	0	0	107.3
634	E	33.4	Very low	32.5	Very low	187 Å²	187	143.7 Å²	143.7	87%	0.874	79%	0.789	S	S	*	*				63.9	131	84.7	-137.3	177.9	-151.6	0	0	115.6
635	A	32.8	Very low	32.8	Very low	90 Å²	90	149.1 Å²	149.1	74%	0.744	80%	0.795	S	S	*	*			trans	98.5	105.1	153	0	0	0	0	0	120.7
636	A	33.7	Very low	32.9	Very low	87 Å²	87	146.9 Å²	146.9	72%	0.719	79%	0.792	S	S	*	*				79.7	132.7	111.9	0	0	0	0	0	121.6
637	M	35.3	Very low	32.9	Very low	185 Å²	185	146.9 Å²	146.9	91%	0.911	80%	0.801	S	S	*	*			trans	63.6	104.2	147.9	-68.1	175.6	-175.7	0	0	118
638	E	37.1	Very low	32.8	Very low	271 Å²	271	151.8 Å²	151.8	100%	1.266	83%	0.829	S	S	*	*				-161.1	0	102.3	-110	177	172.5	0	0	110.4

Retrieved 638 of 638 residues in 771.7 ms (Link to these results)

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