A0A5K4F047_SCHMA Loading...

Transporter

AlphaFold DB , UniProt , Accession A0A5K4F047, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 646 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	35.9	Very low	33.1	Very low	250 Å²	250	158.5 Å²	158.5	100%	1.232	82%	0.822	S	S	*	*				0	89.6	0	-78.9	174.8	171.2	0	0	106.2
2	E	35.1	Very low	33.3	Very low	193 Å²	193	157.4 Å²	157.4	90%	0.902	82%	0.818	S	S	*	*			trans	-105.8	129.7	172.8	-85.9	-177.1	144.4	0	0	108.1
3	D	35.7	Very low	33.4	Very low	128 Å²	128	154.7 Å²	154.7	68%	0.684	81%	0.806	S	S	*	*			trans	-72.7	120.3	-168.7	-169.2	-27	0	0	0	111.7	S5	D3-S5 VanDerWaalsContact C-N 3.29Å; D3-S5 PolarHBondContact O-N 3.47Å; D3-S5 VanDerWaalsContact O-N 3.09Å; D3-S5 PolarHBondContact OD1-OG 3.02Å
4	P	34.9	Very low	33.6	Very low	131 Å²	131	153.9 Å²	153.9	85%	0.851	80%	0.802	S	S	*	*			trans	-87.1	67.1	179.7	35.8	-31.7	0	0	0	110.4
5	S	32.6	Very low	34	Very low	85 Å²	85	147.3 Å²	147.3	59%	0.594	79%	0.786	S	S	*	*			trans	-133.2	39.9	172	57.5	0	0	0	0	111.9	D3 S7	D3-S5 VanDerWaalsContact C-N 3.29Å; D3-S5 PolarHBondContact O-N 3.47Å; D3-S5 VanDerWaalsContact O-N 3.09Å; D3-S5 PolarHBondContact OD1-OG 3.02Å; S5-S7 PolarHBondContact O-N 2.9Å; S5-S7 VanDerWaalsContact O-N 3.14Å
6	K	33.3	Very low	34.2	Very low	205 Å²	205	143.8 Å²	143.8	89%	0.891	77%	0.768	S	S	*	*			trans	-77.9	97.3	162.5	-82.8	-175.8	177.8	174	0	109.4	F8	K6-F8 PolarHBondContact O-N 3.03Å
7	S	30.7	Very low	34.2	Very low	101 Å²	101	142.5 Å²	142.5	71%	0.706	76%	0.76	S	S	*	*			trans	-42.7	114.7	171	61.4	0	0	0	0	112.2	S5 K9	S5-S7 PolarHBondContact O-N 2.9Å; S5-S7 VanDerWaalsContact O-N 3.14Å; S7-K9 PolarHBondContact O-N 3.3Å
8	F	29.4	Very low	34.5	Very low	204 Å²	204	137.7 Å²	137.7	90%	0.895	74%	0.743	S	S	*	*			trans	-74.1	105.3	168.4	-153.6	-96.5	0	0	0	107.8	K6 S10	K6-F8 PolarHBondContact O-N 3.03Å; F8-S10 PolarHBondContact O-N 3.38Å
9	K	30.7	Very low	34.6	Very low	172 Å²	172	133.2 Å²	133.2	75%	0.748	72%	0.723	S	S	*	*			trans	-62.6	129.5	177.8	-80	-178.2	172	-176	0	110	S7 E11	S7-K9 PolarHBondContact O-N 3.3Å; K9-E11 PolarHBondContact O-N 3.02Å
10	S	32.1	Very low	34.4	Very low	111 Å²	111	135 Å²	135	78%	0.776	72%	0.719	S	S	*	*			trans	-95.9	44.3	-167.9	60.5	0	0	0	0	114.3	F8	F8-S10 PolarHBondContact O-N 3.38Å
11	E	33.8	Very low	34.5	Very low	163 Å²	163	131.1 Å²	131.1	76%	0.762	70%	0.703	S	S	*	*			trans	-94.8	-9.6	-175.5	-81.8	177.3	151.6	0	0	115.4	K9 N13	K9-E11 PolarHBondContact O-N 3.02Å; E11-N13 PolarHBondContact O-N 3.2Å
12	D	35.3	Very low	34.3	Very low	146 Å²	146	123 Å²	123	78%	0.781	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.4	-3.4	-175	-78.2	-21.7	0	0	0	116
13	N	35.1	Very low	34.3	Very low	122 Å²	122	118.4 Å²	118.4	65%	0.652	65%	0.648	S	S	*	*	H	α-helix	trans	-89.2	-12.6	-176.1	-83.4	-27.6	0	0	0	115.2	E11	E11-N13 PolarHBondContact O-N 3.2Å
14	L	35.9	Very low	34.2	Very low	144 Å²	144	116 Å²	116	75%	0.754	64%	0.638	S	S	*	*	H	α-helix	trans	-78.5	-32.1	-178.8	-148.4	78.3	0	0	0	112.5	N16	L14-N16 VanDerWaalsContact C-N 3.34Å; L14-N16 PolarHBondContact O-N 3.26Å
15	G	39.3	Very low	33.9	Very low	55 Å²	55	116.1 Å²	116.1	57%	0.567	63%	0.627	S	S	*	*	H	α-helix	trans	-67.4	-32	179.3	0	0	0	0	0	113.8	S19	G15-S19 PolarHBondContact O-N 3.37Å
16	N	37.4	Very low	33.8	Very low	91 Å²	91	115.8 Å²	115.8	49%	0.487	62%	0.622	S	S	.	*	H	α-helix	trans	-74.3	-40	179.5	-80.1	-33.4	0	0	0	112.3	L14 A18 S19 W20	L14-N16 VanDerWaalsContact C-N 3.34Å; L14-N16 PolarHBondContact O-N 3.26Å; N16-A18 VanDerWaalsContact C-N 3.28Å; N16-A18 PolarHBondContact O-N 2.86Å; N16-S19 PolarHBondContact O-N 3.35Å; N16-S19 VanDerWaalsContact O-N 3.13Å; N16-S19 PolarHBondContact O-OG 3.14Å; N16-W20 PolarHBondContact O-N 3.09Å; N16-W20 VanDerWaalsContact O-N 3.07Å
17	L	34.6	Very low	33.8	Very low	122 Å²	122	110.4 Å²	110.4	64%	0.639	61%	0.606	S	S	*	*	H	α-helix	trans	-60.5	-37.6	178.8	-84.7	162.6	0	0	0	112.8	W20 S21	L17-W20 PolarHBondContact O-N 3.03Å; L17-S21 PolarHBondContact O-N 3.48Å
18	A	39.8	Very low	34	Very low	55 Å²	55	108 Å²	108	46%	0.455	59%	0.589	S	S	.	*	H	α-helix	trans	-64	-42.5	175.5	0	0	0	0	0	111.7	N16 W20 S21 T22	N16-A18 VanDerWaalsContact C-N 3.28Å; N16-A18 PolarHBondContact O-N 2.86Å; A18-W20 PolarHBondContact O-N 3.07Å; A18-S21 PolarHBondContact O-N 2.95Å; A18-S21 PolarHBondContact O-OG 3.48Å; A18-T22 PolarHBondContact O-N 3.08Å; A18-T22 PolarHBondContact O-OG1 3.36Å; A18-T22 VanDerWaalsContact O-OG1 3.04Å
19	S	35.6	Very low	34.1	Very low	53 Å²	53	106.5 Å²	106.5	37%	0.371	59%	0.585	S	S	.	*	H	α-helix	trans	-66.7	-38.5	179.4	78	0	0	0	0	112.4	G15 N16 T22 I23	G15-S19 PolarHBondContact O-N 3.37Å; N16-S19 PolarHBondContact O-N 3.35Å; N16-S19 VanDerWaalsContact O-N 3.13Å; N16-S19 PolarHBondContact O-OG 3.14Å; S19-T22 PolarHBondContact O-N 3.14Å; S19-I23 VanDerWaalsContact O-CG1 3.26Å; S19-I23 WeakPolarHBondContact O-CG1 3.35Å; S19-I23 PolarHBondContact O-N 2.06Å
20	W	31.8	Very low	34.5	Very low	169 Å²	169	101.3 Å²	101.3	64%	0.64	57%	0.568	S	S	*	*	H	α-helix	trans	-65.1	-41.9	174.4	-73	103.9	0	0	0	112.2	N16 L17 A18 T22 I23 T24	N16-W20 PolarHBondContact O-N 3.09Å; N16-W20 VanDerWaalsContact O-N 3.07Å; L17-W20 PolarHBondContact O-N 3.03Å; A18-W20 PolarHBondContact O-N 3.07Å; W20-T22 VanDerWaalsContact C-N 3.34Å; W20-T22 PolarHBondContact O-N 3.19Å; W20-I23 PolarHBondContact O-N 3.33Å; W20-T24 PolarHBondContact O-N 3.23Å; W20-T24 PolarHBondContact O-OG1 3.46Å
21	S	34.8	Very low	35.2	Very low	54 Å²	54	102.6 Å²	102.6	38%	0.378	57%	0.565	S	S	.	*	H	α-helix	trans	-64.3	-37.8	177.3	72.3	0	0	0	0	112.5	L17 A18 T24 Q25	L17-S21 PolarHBondContact O-N 3.48Å; A18-S21 PolarHBondContact O-N 2.95Å; A18-S21 PolarHBondContact O-OG 3.48Å; S21-T24 WeakPolarHBondContact CA-OG1 3.46Å; S21-T24 PolarHBondContact O-OG1 3.01Å; S21-Q25 VanDerWaalsContact O-CB 3.26Å; S21-Q25 WeakPolarHBondContact O-CB 3.3Å; S21-Q25 WeakPolarHBondContact O-CG 3.26Å; S21-Q25 PolarHBondContact O-N 3.21Å
22	T	32.9	Very low	36.1	Very low	80 Å²	80	97.5 Å²	97.5	49%	0.491	55%	0.545	S	S	.	.	H	α-helix	trans	-69.5	-40	175	-53.5	0	0	0	0	110.7	A18 S19 W20 Q25 T26	A18-T22 PolarHBondContact O-N 3.08Å; A18-T22 PolarHBondContact O-OG1 3.36Å; A18-T22 VanDerWaalsContact O-OG1 3.04Å; S19-T22 PolarHBondContact O-N 3.14Å; W20-T22 VanDerWaalsContact C-N 3.34Å; W20-T22 PolarHBondContact O-N 3.19Å; T22-Q25 PolarHBondContact O-N 3.36Å; T22-T26 VanDerWaalsContact O-CB 3.32Å; T22-T26 WeakPolarHBondContact O-CB 3.43Å; T22-T26 PolarHBondContact O-N 3.5Å; T22-T26 PolarHBondContact O-OG1 3.18Å
23	I	34.5	Very low	37.7	Very low	95 Å²	95	99.4 Å²	99.4	49%	0.487	55%	0.546	S	S	.	.	H	α-helix	trans	-64.8	-46	176.1	-68	165.4	0	0	0	110.5	S19 W20 T26 T27	S19-I23 VanDerWaalsContact O-CG1 3.26Å; S19-I23 WeakPolarHBondContact O-CG1 3.35Å; S19-I23 PolarHBondContact O-N 2.06Å; W20-I23 PolarHBondContact O-N 3.33Å; I23-T26 PolarHBondContact O-N 2.97Å; I23-T27 WeakPolarHBondContact O-CB 3.37Å; I23-T27 PolarHBondContact O-N 3.39Å; I23-T27 PolarHBondContact O-OG1 2.88Å
24	T	33.7	Very low	39.8	Very low	79 Å²	79	94.8 Å²	94.8	49%	0.485	52%	0.52	S	S	.	.	H	α-helix	trans	-69.1	-35.2	177.5	45.6	0	0	0	0	112.8	W20 S21 T27 S28	W20-T24 PolarHBondContact O-N 3.23Å; W20-T24 PolarHBondContact O-OG1 3.46Å; S21-T24 WeakPolarHBondContact CA-OG1 3.46Å; S21-T24 PolarHBondContact O-OG1 3.01Å; T24-T27 PolarHBondContact O-N 2.98Å; T24-S28 WeakPolarHBondContact O-CB 3.36Å; T24-S28 PolarHBondContact O-N 3.11Å; T24-S28 PolarHBondContact O-OG 2.92Å
25	Q	28.9	Very low	42.3	Very low	132 Å²	132	90 Å²	90	62%	0.617	50%	0.495	S	S	*	.	H	α-helix	trans	-67.2	-39.9	171.9	-79.8	-173	-6.1	0	0	112.5	S21 T22 T27 S28 Q29	S21-Q25 VanDerWaalsContact O-CB 3.26Å; S21-Q25 WeakPolarHBondContact O-CB 3.3Å; S21-Q25 WeakPolarHBondContact O-CG 3.26Å; S21-Q25 PolarHBondContact O-N 3.21Å; T22-Q25 PolarHBondContact O-N 3.36Å; Q25-T27 VanDerWaalsContact C-N 3.29Å; Q25-T27 PolarHBondContact O-N 2.8Å; Q25-S28 VanDerWaalsContact CA-OG 3.29Å; Q25-S28 WeakPolarHBondContact CA-OG 3.11Å; Q25-S28 PolarHBondContact O-N 3.43Å; Q25-S28 PolarHBondContact O-OG 2.81Å; Q25-S28 VanDerWaalsContact O-OG 3.08Å; Q25-Q29 WeakPolarHBondContact O-CB 3.07Å; Q25-Q29 PolarHBondContact O-N 3.39Å
26	T	30.3	Very low	44.9	Very low	79 Å²	79	91 Å²	91	49%	0.485	48%	0.482	S	S	.	.	H	α-helix	trans	-68.1	-33.8	174.9	-41.5	0	0	0	0	110.3	T22 I23 T30	T22-T26 VanDerWaalsContact O-CB 3.32Å; T22-T26 WeakPolarHBondContact O-CB 3.43Å; T22-T26 PolarHBondContact O-N 3.5Å; T22-T26 PolarHBondContact O-OG1 3.18Å; I23-T26 PolarHBondContact O-N 2.97Å; T26-T30 VanDerWaalsContact O-CB 3.31Å; T26-T30 WeakPolarHBondContact O-CB 3.24Å; T26-T30 VanDerWaalsContact O-CG2 3.3Å; T26-T30 WeakPolarHBondContact O-CG2 3.47Å; T26-T30 PolarHBondContact O-N 2.87Å; T26-T30 PolarHBondContact O-OG1 3.17Å
27	T	34.4	Very low	47.6	Very low	91 Å²	91	87.4 Å²	87.4	56%	0.558	46%	0.461	S	S	*	.	H	α-helix	trans	-73.9	-34.4	176.9	-42.1	0	0	0	0	112	I23 T24 Q25 T30	I23-T27 WeakPolarHBondContact O-CB 3.37Å; I23-T27 PolarHBondContact O-N 3.39Å; I23-T27 PolarHBondContact O-OG1 2.88Å; T24-T27 PolarHBondContact O-N 2.98Å; Q25-T27 VanDerWaalsContact C-N 3.29Å; Q25-T27 PolarHBondContact O-N 2.8Å; T27-T30 WeakPolarHBondContact CA-OG1 3.24Å; T27-T30 CarbonylContact O-C 3.59Å; T27-T30 PolarHBondContact O-OG1 3.43Å
28	S	33.9	Very low	50.2	Low	50 Å²	50	89.5 Å²	89.5	35%	0.35	47%	0.465	S	S	.	.	H	α-helix	trans	-77.6	-35.9	177.3	52	0	0	0	0	112.9	T24 Q25 I31	T24-S28 WeakPolarHBondContact O-CB 3.36Å; T24-S28 PolarHBondContact O-N 3.11Å; T24-S28 PolarHBondContact O-OG 2.92Å; Q25-S28 VanDerWaalsContact CA-OG 3.29Å; Q25-S28 WeakPolarHBondContact CA-OG 3.11Å; Q25-S28 PolarHBondContact O-N 3.43Å; Q25-S28 PolarHBondContact O-OG 2.81Å; Q25-S28 VanDerWaalsContact O-OG 3.08Å; S28-I31 VanDerWaalsContact O-CG1 3.31Å; S28-I31 WeakPolarHBondContact O-CG1 3.24Å; S28-I31 PolarHBondContact O-N 3.5Å
29	Q	32	Very low	52.5	Low	174 Å²	174	88.3 Å²	88.3	81%	0.813	46%	0.459	S	S	*	.	H	α-helix	trans	-77.8	-22.8	172.3	-73	-163.9	-10.5	0	0	113.3	Q25 I31	Q25-Q29 WeakPolarHBondContact O-CB 3.07Å; Q25-Q29 PolarHBondContact O-N 3.39Å; Q29-I31 PolarHBondContact O-N 3.35Å
30	T	38.3	Very low	55.1	Low	62 Å²	62	94.8 Å²	94.8	38%	0.38	48%	0.48	S	S	.	.			trans	-80	53.8	163.6	54.6	0	0	0	0	110.4	T26 T27 T32	T26-T30 VanDerWaalsContact O-CB 3.31Å; T26-T30 WeakPolarHBondContact O-CB 3.24Å; T26-T30 VanDerWaalsContact O-CG2 3.3Å; T26-T30 WeakPolarHBondContact O-CG2 3.47Å; T26-T30 PolarHBondContact O-N 2.87Å; T26-T30 PolarHBondContact O-OG1 3.17Å; T27-T30 WeakPolarHBondContact CA-OG1 3.24Å; T27-T30 CarbonylContact O-C 3.59Å; T27-T30 PolarHBondContact O-OG1 3.43Å; T30-T32 PolarHBondContact O-N 2.77Å
31	I	48	Very low	58.1	Low	138 Å²	138	90.8 Å²	90.8	71%	0.708	47%	0.47	S	S	*	.			trans	-46.9	102.5	154.3	-63.1	176.5	0	0	0	105	S28 Q29 K33	S28-I31 VanDerWaalsContact O-CG1 3.31Å; S28-I31 WeakPolarHBondContact O-CG1 3.24Å; S28-I31 PolarHBondContact O-N 3.5Å; Q29-I31 PolarHBondContact O-N 3.35Å; I31-K33 VanDerWaalsContact C-N 3.33Å; I31-K33 PolarHBondContact O-N 3.41Å
32	T	52.7	Low	61.1	Low	57 Å²	57	89.4 Å²	89.4	35%	0.35	46%	0.459	S	S	.	.			trans	-63.8	100.2	-171	-1.2	0	0	0	0	104.9	T30 R34 I416 L417	T30-T32 PolarHBondContact O-N 2.77Å; T32-R34 VanDerWaalsContact C-N 3.26Å; T32-R34 PolarHBondContact O-N 3.17Å; T32-I416 HydrophobicContact CG2-CB 4.05Å; T32-I416 HydrophobicContact CG2-CG2 3.6Å; T32-L417 HydrophobicContact CG2-CD1 4.36Å; T32-L417 HydrophobicContact CG2-CD2 3.39Å; T32-L417 HydrophobicContact CG2-CG 3.64Å
33	K	68.1	Low	64.1	Low	186 Å²	186	85.7 Å²	85.7	81%	0.809	44%	0.436	S	S	*	.			trans	-71.1	91.5	-170.8	-169.4	174.4	-176.5	173.2	0	107.6	I31 D35	I31-K33 VanDerWaalsContact C-N 3.33Å; I31-K33 PolarHBondContact O-N 3.41Å; K33-D35 PolarHBondContact O-N 3.1Å
34	R	80.2	Confident	67.1	Low	24 Å²	24	82.1 Å²	82.1	9%	0.091	42%	0.417	C	S	.	.			trans	-47.8	133.2	172	177.2	173.7	-75.2	-92.7	-5.9	108.6	T32 S99 S308 Y309 D410	T32-R34 VanDerWaalsContact C-N 3.26Å; T32-R34 PolarHBondContact O-N 3.17Å; R34-S99 VanDerWaalsContact CD-O 3.3Å; R34-S99 WeakPolarHBondContact CD-O 3.39Å; R34-S99 PolarHBondContact NE-O 3.24Å; R34-S308 WeakPolarHBondContact CD-O 3.49Å; R34-S308 PolarHBondContact NH1-OG 2.88Å; R34-Y309 HydrophobicContact CG-CD1 3.65Å; R34-Y309 HydrophobicContact CG-CE1 3.71Å; R34-D410 IonicContact CZ-OD1 2.69Å; R34-D410 IonicContact NH2-OD1 2.68Å; R34-D410 PolarHBondContact NH2-OD1 3.33Å; R34-D410 IonicContact NH2-OD2 3.07Å; R34-D410 PolarHBondContact NH2-OD2 2.97Å
35	D	87.6	Confident	70.1	Confident	44 Å²	44	79.1 Å²	79.1	24%	0.235	40%	0.398	C	S	.	.			trans	-56.9	151.4	178.9	-88.8	-18.1	0	0	0	110.8	K33 I233 K234 Y309	K33-D35 PolarHBondContact O-N 3.1Å; D35-I233 HydrophobicContact CB-CD1 3.91Å; D35-I233 HydrophobicContact CB-CG1 3.81Å; D35-K234 VanDerWaalsContact OD1-CE 3.25Å; D35-K234 WeakPolarHBondContact OD1-CE 3.49Å; D35-K234 IonicContact OD1-NZ 3.91Å; D35-K234 PolarHBondContact OD1-NZ 3.33Å; D35-K234 WeakPolarHBondContact OD2-CE 3.11Å; D35-K234 IonicContact OD2-NZ 2.59Å; D35-K234 PolarHBondContact OD2-NZ 3.02Å; D35-Y309 WeakPolarHBondContact O-CD1 3.46Å
36	R	92.6	Very high	73.4	Confident	77 Å²	77	72.8 Å²	72.8	29%	0.291	37%	0.369	S	S	.	.			trans	-127.4	148.5	-178.8	-58.4	-65.9	178.8	-176.4	-10.4	110.7	K38 S99 S308 Y309 N310	R36-K38 PolarHBondContact O-N 3.4Å; R36-S99 PolarHBondContact NH1-OG 3.03Å; R36-S99 VanDerWaalsContact NH1-OG 3.14Å; R36-S99 PolarHBondContact NH2-OG 3.47Å; R36-S308 PolarHBondContact NH1-O 3.12Å; R36-Y309 VanDerWaalsContact CA-O 3.26Å; R36-Y309 WeakPolarHBondContact CA-O 3.44Å; R36-Y309 VanDerWaalsContact CD-O 3.24Å; R36-Y309 WeakPolarHBondContact CD-O 3.5Å; R36-N310 PolarHBondContact NH1-O 3.23Å
37	W	94.3	Very high	76.6	Confident	15 Å²	15	69.1 Å²	69.1	6%	0.057	35%	0.346	C	S	.	.			trans	-57.1	134.9	164.6	-59.8	122.4	0	0	0	110.1	D42 F43 A46 I233 L306 Y309	W37-D42 HydrophobicContact CB-CB 3.98Å; W37-D42 HydrophobicContact CD2-CB 4.06Å; W37-D42 HydrophobicContact CE3-CB 3.69Å; W37-D42 HydrophobicContact CG-CB 4.2Å; W37-F43 HydrophobicContact CG-CB 4.27Å; W37-F43 AromaticContact NE1-CD2 3.71Å; W37-A46 HydrophobicContact CH2-CB 3.82Å; W37-A46 HydrophobicContact CZ2-CB 4.02Å; W37-A46 HydrophobicContact CZ3-CB 4.47Å; W37-I233 HydrophobicContact CD2-CD1 4.11Å; W37-I233 HydrophobicContact CE3-CB 4.34Å; W37-I233 HydrophobicContact CE3-CD1 3.92Å; W37-I233 HydrophobicContact CH2-CB 3.72Å; W37-I233 HydrophobicContact CH2-CD1 4.29Å; W37-I233 HydrophobicContact CH2-CG2 3.71Å; W37-I233 HydrophobicContact CZ2-CD1 4.45Å; W37-I233 HydrophobicContact CZ2-CG2 4.27Å; W37-I233 HydrophobicContact CZ3-CB 3.62Å; W37-I233 HydrophobicContact CZ3-CD1 4.03Å; W37-I233 HydrophobicContact CZ3-CG1 4.35Å; W37-I233 HydrophobicContact CZ3-CG2 4.16Å; W37-L306 HydrophobicContact CH2-CD2 4.26Å; W37-L306 HydrophobicContact CZ2-CD2 3.87Å; W37-L306 PolarHBondContact NE1-O 3.46Å; W37-Y309 VanDerWaalsContact CD1-C 3.47Å; W37-Y309 AromaticContact CZ2-CD2 3.92Å; W37-Y309 HydrophobicContact CZ2-CD2 3.92Å; W37-Y309 PolarHBondContact N-O 2.97Å; W37-Y309 VanDerWaalsContact N-O 3.16Å
38	K	89.4	Confident	79.6	Confident	165 Å²	165	66.1 Å²	66.1	72%	0.717	33%	0.326	S	S	*	.			trans	-98.2	-44.5	-174.9	-70.7	-172.5	176.7	-173.2	0	111.1	R36 D42	R36-K38 PolarHBondContact O-N 3.4Å; K38-D42 PolarHBondContact N-OD2 3.11Å
39	G	89.1	Confident	82.5	Confident	31 Å²	31	63.9 Å²	63.9	32%	0.32	31%	0.311	S	S	.	.	S	Bend	trans	-81.7	160.9	177.1	0	0	0	0	0	112.6	I41 D42	G39-I41 VanDerWaalsContact C-N 3.3Å; G39-I41 PolarHBondContact O-N 2.8Å; G39-D42 WeakPolarHBondContact CA-OD1 3.34Å; G39-D42 VanDerWaalsContact N-CG 3.34Å; G39-D42 PolarHBondContact N-OD2 2.85Å
40	K	90.3	Very high	85.6	Confident	188 Å²	188	56 Å²	56	82%	0.817	27%	0.274	S	S	*	.	S	Bend	trans	-72.5	-22.1	-178.1	-66.4	-176.9	179.1	179.5	0	113.5	H314	K40-H314 PolarHBondContact O-CE1 3.46Å
41	I	95.2	Very high	88.3	Confident	85 Å²	85	53.3 Å²	53.3	44%	0.436	26%	0.258	S	S	.	.	S	Bend	trans	-119.6	4.9	-177	67.9	177.2	0	0	0	112.9	G39 F43 L44 I45 Y241	G39-I41 VanDerWaalsContact C-N 3.3Å; G39-I41 PolarHBondContact O-N 2.8Å; I41-F43 VanDerWaalsContact C-N 3.26Å; I41-F43 PolarHBondContact O-N 3.37Å; I41-L44 PolarHBondContact O-N 3.3Å; I41-L44 VanDerWaalsContact O-N 3.14Å; I41-I45 HydrophobicContact CD1-CG1 4.46Å; I41-I45 HydrophobicContact CG1-CG1 4.32Å; I41-I45 WeakPolarHBondContact O-CG1 3.23Å; I41-I45 PolarHBondContact O-N 2.9Å; I41-Y241 HydrophobicContact CD1-CE1 3.94Å; I41-Y241 HydrophobicContact CG1-CE1 3.92Å; I41-Y241 VanDerWaalsContact CG1-OH 3.27Å; I41-Y241 WeakPolarHBondContact CG1-OH 3.42Å
42	D	95.7	Very high	90.5	Very high	25 Å²	25	46.9 Å²	46.9	13%	0.134	23%	0.225	C	C	.	.	H	α-helix	trans	-56	-43.7	-179.4	-66.7	-1.8	0	0	0	111.1	W37 K38 G39 I45 A46 Y241	W37-D42 HydrophobicContact CB-CB 3.98Å; W37-D42 HydrophobicContact CD2-CB 4.06Å; W37-D42 HydrophobicContact CE3-CB 3.69Å; W37-D42 HydrophobicContact CG-CB 4.2Å; K38-D42 PolarHBondContact N-OD2 3.11Å; G39-D42 WeakPolarHBondContact CA-OD1 3.34Å; G39-D42 VanDerWaalsContact N-CG 3.34Å; G39-D42 PolarHBondContact N-OD2 2.85Å; D42-I45 PolarHBondContact O-N 3.42Å; D42-A46 WeakPolarHBondContact O-CB 3.41Å; D42-A46 PolarHBondContact O-N 2.96Å; D42-Y241 PolarHBondContact N-OH 3.11Å; D42-Y241 WeakPolarHBondContact OD1-CE2 3.38Å; D42-Y241 PolarHBondContact OD1-OH 2.95Å
43	F	96.8	Very high	92.5	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.009	21%	0.21	C	C	.	.	H	α-helix	trans	-62.6	-45.9	177.7	172.2	-107.5	0	0	0	112.2	W37 I41 A46 C47 V92 L306 N310 D319	W37-F43 HydrophobicContact CG-CB 4.27Å; W37-F43 AromaticContact NE1-CD2 3.71Å; I41-F43 VanDerWaalsContact C-N 3.26Å; I41-F43 PolarHBondContact O-N 3.37Å; F43-A46 PolarHBondContact O-N 3.02Å; F43-C47 WeakPolarHBondContact CE2-SG 3.4Å; F43-C47 WeakPolarHBondContact CZ-SG 3.2Å; F43-C47 PolarHBondContact O-N 3.5Å; F43-C47 PolarHBondContact O-SG 2.97Å; F43-V92 HydrophobicContact CE1-CG1 4.04Å; F43-V92 HydrophobicContact CE2-CG1 4.15Å; F43-V92 HydrophobicContact CE2-CG2 4.42Å; F43-V92 HydrophobicContact CZ-CB 4.26Å; F43-V92 HydrophobicContact CZ-CG1 3.38Å; F43-V92 HydrophobicContact CZ-CG2 3.77Å; F43-L306 HydrophobicContact CD2-CB 4.46Å; F43-L306 HydrophobicContact CE2-CB 4.11Å; F43-N310 VanDerWaalsContact CB-OD1 3.28Å; F43-N310 WeakPolarHBondContact CB-OD1 3.05Å; F43-N310 WeakPolarHBondContact CD2-ND2 3.28Å; F43-N310 VanDerWaalsContact CG-OD1 3.28Å; F43-N310 WeakPolarHBondContact CG-OD1 3.23Å; F43-D319 HydrophobicContact CD1-CB 3.78Å; F43-D319 WeakPolarHBondContact CD1-OD2 3.3Å; F43-D319 HydrophobicContact CE1-CB 3.88Å
44	L	97.6	Very high	93.5	Very high	20 Å²	20	35.8 Å²	35.8	11%	0.105	17%	0.173	C	C	.	.	H	α-helix	trans	-60.5	-47.1	177.3	174.4	59.7	0	0	0	111.1	I41 A46 C47 M48 D319 L322 F323	I41-L44 PolarHBondContact O-N 3.3Å; I41-L44 VanDerWaalsContact O-N 3.14Å; L44-A46 VanDerWaalsContact C-N 3.32Å; L44-A46 PolarHBondContact O-N 2.86Å; L44-C47 PolarHBondContact O-N 3.24Å; L44-M48 HydrophobicContact CD1-CG 4.22Å; L44-M48 HydrophobicContact CD1-SD 4.19Å; L44-M48 HydrophobicContact CG-SD 4.14Å; L44-M48 WeakPolarHBondContact O-CB 3.39Å; L44-M48 WeakPolarHBondContact O-CG 3.46Å; L44-M48 PolarHBondContact O-N 2.76Å; L44-D319 HydrophobicContact CB-CB 4.15Å; L44-D319 HydrophobicContact CD1-CB 4.32Å; L44-D319 WeakPolarHBondContact CD1-O 3.29Å; L44-L322 HydrophobicContact CD1-CB 4.07Å; L44-L322 HydrophobicContact CD2-CB 4.14Å; L44-L322 HydrophobicContact CD2-CD1 3.97Å; L44-F323 HydrophobicContact CD1-CB 4.02Å
45	I	97.2	Very high	94	Very high	16 Å²	16	35.6 Å²	35.6	8%	0.082	18%	0.179	C	C	.	.	H	α-helix	trans	-62.8	-40.2	177.6	-66.6	-62.7	0	0	0	111.1	I41 D42 M48 G49 M240 Y241	I41-I45 HydrophobicContact CD1-CG1 4.46Å; I41-I45 HydrophobicContact CG1-CG1 4.32Å; I41-I45 WeakPolarHBondContact O-CG1 3.23Å; I41-I45 PolarHBondContact O-N 2.9Å; D42-I45 PolarHBondContact O-N 3.42Å; I45-M48 PolarHBondContact O-N 3.21Å; I45-G49 PolarHBondContact O-N 2.84Å; I45-M240 HydrophobicContact CG2-CB 3.96Å; I45-Y241 HydrophobicContact CG1-CD1 4.12Å; I45-Y241 HydrophobicContact CG1-CE1 3.87Å; I45-Y241 HydrophobicContact CG2-CD1 4.46Å; I45-Y241 HydrophobicContact CG2-CD2 4.32Å; I45-Y241 HydrophobicContact CG2-CG 4.23Å
46	A	97	Very high	94.3	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-64.3	-40.9	175.9	0	0	0	0	0	112.4	W37 D42 F43 L44 F50 M240 L306	W37-A46 HydrophobicContact CH2-CB 3.82Å; W37-A46 HydrophobicContact CZ2-CB 4.02Å; W37-A46 HydrophobicContact CZ3-CB 4.47Å; D42-A46 WeakPolarHBondContact O-CB 3.41Å; D42-A46 PolarHBondContact O-N 2.96Å; F43-A46 PolarHBondContact O-N 3.02Å; L44-A46 VanDerWaalsContact C-N 3.32Å; L44-A46 PolarHBondContact O-N 2.86Å; A46-F50 VanDerWaalsContact O-CB 3.24Å; A46-F50 WeakPolarHBondContact O-CB 3.38Å; A46-F50 PolarHBondContact O-N 2.9Å; A46-M240 HydrophobicContact CB-SD 4.01Å; A46-M240 WeakPolarHBondContact O-CE 3.44Å; A46-L306 HydrophobicContact CB-CD2 4.32Å
47	C	97.5	Very high	94.2	Very high	1 Å²	1	30 Å²	30	1%	0.007	15%	0.154	C	C	.	.	H	α-helix	trans	-64.5	-44	174	-68.9	0	0	0	0	111.9	F43 L44 F50 S51 F88 F323	F43-C47 WeakPolarHBondContact CE2-SG 3.4Å; F43-C47 WeakPolarHBondContact CZ-SG 3.2Å; F43-C47 PolarHBondContact O-N 3.5Å; F43-C47 PolarHBondContact O-SG 2.97Å; L44-C47 PolarHBondContact O-N 3.24Å; C47-F50 PolarHBondContact O-N 2.88Å; C47-S51 WeakPolarHBondContact O-CB 3.4Å; C47-S51 PolarHBondContact O-N 3.11Å; C47-F88 HydrophobicContact CB-CZ 3.95Å; C47-F323 HydrophobicContact CB-CD2 4.18Å; C47-F323 HydrophobicContact CB-CG 4.45Å
48	M	97.1	Very high	93.7	Very high	28 Å²	28	30.4 Å²	30.4	14%	0.138	16%	0.156	C	C	.	.	H	α-helix	trans	-61	-51	176.7	-73.8	178.5	63.8	0	0	111	L44 I45 F50 I52 Y248 F323 A326	L44-M48 HydrophobicContact CD1-CG 4.22Å; L44-M48 HydrophobicContact CD1-SD 4.19Å; L44-M48 HydrophobicContact CG-SD 4.14Å; L44-M48 WeakPolarHBondContact O-CB 3.39Å; L44-M48 WeakPolarHBondContact O-CG 3.46Å; L44-M48 PolarHBondContact O-N 2.76Å; I45-M48 PolarHBondContact O-N 3.21Å; M48-F50 PolarHBondContact O-N 3.49Å; M48-I52 HydrophobicContact CB-CD1 4.06Å; M48-I52 HydrophobicContact CE-CD1 4.19Å; M48-I52 HydrophobicContact CG-CD1 4.11Å; M48-I52 WeakPolarHBondContact O-CA 3.49Å; M48-I52 WeakPolarHBondContact O-CB 3.19Å; M48-I52 VanDerWaalsContact O-CG1 3.31Å; M48-I52 WeakPolarHBondContact O-CG1 3.39Å; M48-I52 PolarHBondContact O-N 3.49Å; M48-Y248 HydrophobicContact CE-CE2 4.37Å; M48-F323 HydrophobicContact CG-CD2 4.29Å; M48-A326 HydrophobicContact CE-CB 3.89Å; M48-A326 HydrophobicContact SD-CB 4.27Å
49	G	96	Very high	93.7	Very high	3 Å²	3	26.1 Å²	26.1	3%	0.031	14%	0.135	C	C	.	.	H	α-helix	trans	-62.1	-42.1	178.1	0	0	0	0	0	112.6	I45 D395 S396	I45-G49 PolarHBondContact O-N 2.84Å; G49-D395 VanDerWaalsContact C-CB 3.47Å; G49-D395 CarbonylContact O-C 3.52Å; G49-D395 VanDerWaalsContact O-C 3.29Å; G49-D395 WeakPolarHBondContact O-CB 3.48Å; G49-S396 PolarHBondContact O-N 2.86Å
50	F	96.4	Very high	93.9	Very high	8 Å²	8	24.7 Å²	24.7	4%	0.035	12%	0.12	C	C	.	.	H	α-helix	trans	-65.3	-51.4	-178.3	175.4	-127.8	0	0	0	112.5	A46 C47 M48 M240 A297 L300 A302 L303 L306 S396 G399	A46-F50 VanDerWaalsContact O-CB 3.24Å; A46-F50 WeakPolarHBondContact O-CB 3.38Å; A46-F50 PolarHBondContact O-N 2.9Å; C47-F50 PolarHBondContact O-N 2.88Å; M48-F50 PolarHBondContact O-N 3.49Å; F50-M240 HydrophobicContact CB-CE 4.5Å; F50-A297 HydrophobicContact CD1-CB 3.96Å; F50-A297 HydrophobicContact CE1-CB 3.27Å; F50-A297 HydrophobicContact CE2-CB 4.45Å; F50-A297 HydrophobicContact CZ-CB 3.56Å; F50-L300 HydrophobicContact CZ-CD1 4.3Å; F50-A302 HydrophobicContact CD1-CB 4.43Å; F50-A302 HydrophobicContact CE1-CB 3.52Å; F50-A302 HydrophobicContact CE2-CB 4.17Å; F50-A302 HydrophobicContact CZ-CB 3.36Å; F50-L303 HydrophobicContact CD1-CD2 3.87Å; F50-L303 HydrophobicContact CE1-CD2 3.97Å; F50-L303 HydrophobicContact CE1-CG 4.4Å; F50-L306 HydrophobicContact CB-CD1 4.19Å; F50-L306 HydrophobicContact CD1-CD1 4.11Å; F50-L306 HydrophobicContact CG-CD1 4.36Å; F50-S396 VanDerWaalsContact CD2-O 3.22Å; F50-S396 WeakPolarHBondContact CD2-O 3.48Å; F50-S396 WeakPolarHBondContact CE2-O 3.19Å; F50-S396 WeakPolarHBondContact O-CA 3.42Å; F50-S396 WeakPolarHBondContact O-CB 3.42Å; F50-S396 PolarHBondContact O-OG 3.32Å; F50-S396 VanDerWaalsContact O-OG 3.06Å; F50-G399 VanDerWaalsContact CD2-CA 3.42Å
51	S	95.4	Very high	94	Very high	6 Å²	6	15.7 Å²	15.7	4%	0.042	8%	0.081	C	C	.	.	H	α-helix	trans	-94.5	-29.2	-167.9	-57.3	0	0	0	0	113.2	C47 G53 N56 S295 Y296 F323	C47-S51 WeakPolarHBondContact O-CB 3.4Å; C47-S51 PolarHBondContact O-N 3.11Å; S51-G53 PolarHBondContact O-N 3.05Å; S51-G53 VanDerWaalsContact O-N 3.11Å; S51-N56 PolarHBondContact O-OD1 3.38Å; S51-S295 CarbonylContact C-O 3.59Å; S51-S295 WeakPolarHBondContact CB-O 3.43Å; S51-Y296 PolarHBondContact OG-O 3.3Å; S51-F323 VanDerWaalsContact CB-CZ 3.45Å
52	I	95.1	Very high	93.7	Very high	4 Å²	4	13.6 Å²	13.6	2%	0.021	7%	0.068	C	C	.	.	S	Bend	trans	-79.1	99.1	173.9	-54.8	178.9	0	0	0	108.4	M48 N56 Y248 F323 A326 N327 T330 L392	M48-I52 HydrophobicContact CB-CD1 4.06Å; M48-I52 HydrophobicContact CE-CD1 4.19Å; M48-I52 HydrophobicContact CG-CD1 4.11Å; M48-I52 WeakPolarHBondContact O-CA 3.49Å; M48-I52 WeakPolarHBondContact O-CB 3.19Å; M48-I52 VanDerWaalsContact O-CG1 3.31Å; M48-I52 WeakPolarHBondContact O-CG1 3.39Å; M48-I52 PolarHBondContact O-N 3.49Å; I52-N56 HydrophobicContact CG2-CB 4.48Å; I52-Y248 WeakPolarHBondContact CD1-OH 3.41Å; I52-F323 HydrophobicContact CG1-CE2 4.24Å; I52-A326 HydrophobicContact CD1-CB 4.19Å; I52-N327 HydrophobicContact CD1-CB 4.47Å; I52-N327 HydrophobicContact CG1-CB 4.15Å; I52-T330 HydrophobicContact CG2-CG2 3.42Å; I52-T330 VanDerWaalsContact CG2-CG2 3.42Å; I52-L392 HydrophobicContact CG2-CD2 4.33Å; I52-L392 WeakPolarHBondContact O-CD2 3.48Å
53	G	93	Very high	93.5	Very high	3 Å²	3	12.8 Å²	12.8	3%	0.031	6%	0.064	C	C	.	.	S	Bend	trans	-137.1	-156.1	-171.1	0	0	0	0	0	113.7	S51 G55 N56 V57	S51-G53 PolarHBondContact O-N 3.05Å; S51-G53 VanDerWaalsContact O-N 3.11Å; G53-G55 PolarHBondContact O-N 2.71Å; G53-N56 PolarHBondContact N-OD1 3.36Å; G53-N56 VanDerWaalsContact N-OD1 3.09Å; G53-N56 WeakPolarHBondContact O-CB 3.05Å; G53-N56 PolarHBondContact O-N 3.07Å; G53-V57 PolarHBondContact O-N 3.28Å
54	L	90.7	Very high	93.4	Very high	7 Å²	7	12.7 Å²	12.7	4%	0.037	6%	0.063	C	C	.	.	H	α-helix	trans	-63.4	-26.8	-178.6	-58.9	178.8	0	0	0	112.7	N56 V57 W58 Y130 I133 I389 L392	L54-N56 VanDerWaalsContact C-N 3.28Å; L54-N56 PolarHBondContact O-N 3.18Å; L54-V57 PolarHBondContact O-N 2.95Å; L54-W58 HydrophobicContact CB-CD2 4.48Å; L54-W58 HydrophobicContact CB-CE3 3.74Å; L54-W58 HydrophobicContact CB-CZ3 3.94Å; L54-W58 HydrophobicContact CD1-CE3 4.38Å; L54-W58 HydrophobicContact CD1-CH2 4.27Å; L54-W58 HydrophobicContact CD1-CZ3 3.71Å; L54-W58 HydrophobicContact CD2-CD2 4.37Å; L54-W58 HydrophobicContact CD2-CE3 4.01Å; L54-W58 HydrophobicContact CD2-CH2 3.85Å; L54-W58 HydrophobicContact CD2-CZ2 4.23Å; L54-W58 HydrophobicContact CD2-CZ3 3.72Å; L54-W58 HydrophobicContact CG-CE3 4.24Å; L54-W58 HydrophobicContact CG-CZ3 3.98Å; L54-W58 PolarHBondContact O-N 3.16Å; L54-Y130 HydrophobicContact CB-CE2 4.27Å; L54-Y130 HydrophobicContact CD1-CE1 4.2Å; L54-Y130 HydrophobicContact CD1-CE2 4.09Å; L54-Y130 HydrophobicContact CG-CE2 4.37Å; L54-Y130 WeakPolarHBondContact CG-OH 3.25Å; L54-Y130 PolarHBondContact N-OH 2.86Å; L54-I133 HydrophobicContact CD1-CB 4.13Å; L54-I133 HydrophobicContact CD1-CD1 4.25Å; L54-I133 HydrophobicContact CD1-CG2 3.57Å; L54-I389 HydrophobicContact CD2-CB 4.26Å; L54-I389 HydrophobicContact CD2-CG1 4.49Å; L54-I389 HydrophobicContact CD2-CG2 3.7Å; L54-L392 HydrophobicContact CD2-CB 4.41Å
55	G	89.6	Confident	93	Very high	20 Å²	20	14.2 Å²	14.2	21%	0.206	7%	0.068	C	C	.	.	I	π-helix	trans	-60.8	-34.2	172.3	0	0	0	0	0	113.3	G53 R59 F60 Q291	G53-G55 PolarHBondContact O-N 2.71Å; G55-R59 WeakPolarHBondContact O-CB 3.42Å; G55-F60 PolarHBondContact O-N 3.24Å; G55-Q291 PolarHBondContact O-NE2 3.32Å
56	N	94.8	Very high	92.6	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.005	8%	0.083	C	C	.	.	I	π-helix	trans	-75.4	-40	176.5	-62	77.8	0	0	0	111.4	S51 I52 G53 L54 S295 N327 T330 S331	S51-N56 PolarHBondContact O-OD1 3.38Å; I52-N56 HydrophobicContact CG2-CB 4.48Å; G53-N56 PolarHBondContact N-OD1 3.36Å; G53-N56 VanDerWaalsContact N-OD1 3.09Å; G53-N56 WeakPolarHBondContact O-CB 3.05Å; G53-N56 PolarHBondContact O-N 3.07Å; L54-N56 VanDerWaalsContact C-N 3.28Å; L54-N56 PolarHBondContact O-N 3.18Å; N56-S295 PolarHBondContact ND2-OG 3.29Å; N56-S295 PolarHBondContact OD1-OG 3.05Å; N56-N327 PolarHBondContact ND2-ND2 3.24Å; N56-N327 PolarHBondContact ND2-O 3.45Å; N56-N327 PolarHBondContact ND2-OD1 2.73Å; N56-T330 HydrophobicContact CB-CG2 4.21Å; N56-S331 PolarHBondContact ND2-OG 3.27Å
57	V	90.8	Very high	92.4	Very high	2 Å²	2	18 Å²	18	1%	0.012	8%	0.084	C	C	.	.	I	π-helix	trans	-85.3	-28.6	-169.7	-178.4	0	0	0	0	113.8	G53 L54 P61 M251 A334 I338 M388 L392	G53-V57 PolarHBondContact O-N 3.28Å; L54-V57 PolarHBondContact O-N 2.95Å; V57-P61 WeakPolarHBondContact O-CG 3.43Å; V57-M251 HydrophobicContact CG2-SD 4.19Å; V57-A334 HydrophobicContact CB-CB 4.09Å; V57-A334 HydrophobicContact CG1-CB 4.06Å; V57-A334 HydrophobicContact CG2-CB 4.02Å; V57-I338 WeakPolarHBondContact O-CG1 3.41Å; V57-M388 HydrophobicContact CG1-CE 3.77Å; V57-L392 HydrophobicContact CB-CD1 4.35Å; V57-L392 HydrophobicContact CG2-CD1 3.43Å; V57-L392 VanDerWaalsContact CG2-CD1 3.43Å
58	W	82.4	Confident	92.1	Very high	24 Å²	24	18.3 Å²	18.3	9%	0.091	9%	0.088	C	C	.	.	I	π-helix	trans	-124.8	-45.4	-174.2	-53.1	-38.9	0	0	0	113.9	L54 Y62 I133 A364 F365 F385 I389	L54-W58 HydrophobicContact CB-CD2 4.48Å; L54-W58 HydrophobicContact CB-CE3 3.74Å; L54-W58 HydrophobicContact CB-CZ3 3.94Å; L54-W58 HydrophobicContact CD1-CE3 4.38Å; L54-W58 HydrophobicContact CD1-CH2 4.27Å; L54-W58 HydrophobicContact CD1-CZ3 3.71Å; L54-W58 HydrophobicContact CD2-CD2 4.37Å; L54-W58 HydrophobicContact CD2-CE3 4.01Å; L54-W58 HydrophobicContact CD2-CH2 3.85Å; L54-W58 HydrophobicContact CD2-CZ2 4.23Å; L54-W58 HydrophobicContact CD2-CZ3 3.72Å; L54-W58 HydrophobicContact CG-CE3 4.24Å; L54-W58 HydrophobicContact CG-CZ3 3.98Å; L54-W58 PolarHBondContact O-N 3.16Å; W58-Y62 PolarHBondContact O-N 3.36Å; W58-I133 HydrophobicContact CH2-CG2 4.1Å; W58-I133 HydrophobicContact CZ3-CG2 3.8Å; W58-A364 HydrophobicContact CD2-CB 3.64Å; W58-A364 VanDerWaalsContact CE2-CB 3.45Å; W58-A364 HydrophobicContact CE3-CB 3.81Å; W58-A364 HydrophobicContact CG-CB 4.15Å; W58-A364 HydrophobicContact CH2-CB 3.56Å; W58-A364 HydrophobicContact CZ2-CB 3.31Å; W58-A364 HydrophobicContact CZ3-CB 3.81Å; W58-F365 AromaticContact CH2-CE2 3.85Å; W58-F365 HydrophobicContact CH2-CE2 3.85Å; W58-F365 AromaticContact CH2-CZ 3.85Å; W58-F365 HydrophobicContact CH2-CZ 3.85Å; W58-F365 HydrophobicContact CZ3-CE2 4.2Å; W58-F385 HydrophobicContact CZ2-CZ 4.28Å; W58-F385 AromaticContact NE1-CE2 3.59Å; W58-F385 AromaticContact NE1-CZ 3.42Å; W58-I389 HydrophobicContact CH2-CB 4.28Å; W58-I389 HydrophobicContact CH2-CD1 4.1Å; W58-I389 HydrophobicContact CH2-CG1 4.02Å; W58-I389 HydrophobicContact CH2-CG2 3.31Å; W58-I389 HydrophobicContact CZ2-CB 3.95Å; W58-I389 HydrophobicContact CZ2-CD1 3.15Å; W58-I389 HydrophobicContact CZ2-CG1 3.21Å; W58-I389 HydrophobicContact CZ2-CG2 3.47Å; W58-I389 VanDerWaalsContact CZ2-CG2 3.47Å; W58-I389 HydrophobicContact CZ3-CG2 4.37Å
59	R	89.7	Confident	91.9	Very high	75 Å²	75	17.1 Å²	17.1	28%	0.283	8%	0.082	S	C	.	.	I	π-helix	trans	-69.3	-46.4	-178.6	-172.4	-179.1	169.5	172	-4.7	111.1	G55 Y62 L63 Q291	G55-R59 WeakPolarHBondContact O-CB 3.42Å; R59-Y62 PolarHBondContact O-N 3.03Å; R59-L63 HydrophobicContact CG-CD1 3.94Å; R59-L63 HydrophobicContact CG-CG 4.18Å; R59-L63 WeakPolarHBondContact O-CG 3.35Å; R59-L63 PolarHBondContact O-N 3.06Å; R59-Q291 VanDerWaalsContact CD-OE1 3.27Å; R59-Q291 VanDerWaalsContact CG-OE1 3.29Å
60	F	94.3	Very high	91.9	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-59.6	-50.2	-179.7	172.4	-89	0	0	0	113.5	G55 Y62 L63 C64 F72 L73 Y76 Y271 Q291 S331 L332	G55-F60 PolarHBondContact O-N 3.24Å; F60-Y62 VanDerWaalsContact C-N 3.29Å; F60-Y62 PolarHBondContact O-N 3.26Å; F60-L63 PolarHBondContact O-N 2.87Å; F60-C64 WeakPolarHBondContact O-CB 3.38Å; F60-C64 PolarHBondContact O-N 3.22Å; F60-F72 HydrophobicContact CD2-CE1 4.18Å; F60-F72 HydrophobicContact CE2-CD1 4.45Å; F60-F72 AromaticContact CE2-CE1 3.99Å; F60-F72 HydrophobicContact CE2-CE1 3.99Å; F60-L73 HydrophobicContact CE2-CD2 4.44Å; F60-L73 HydrophobicContact CZ-CD2 3.74Å; F60-Y76 AromaticContact CD2-CD2 3.89Å; F60-Y76 HydrophobicContact CD2-CD2 3.89Å; F60-Y76 AromaticContact CD2-CE2 3.59Å; F60-Y76 HydrophobicContact CD2-CE2 3.59Å; F60-Y76 HydrophobicContact CE2-CD1 4.22Å; F60-Y76 AromaticContact CE2-CD2 3.52Å; F60-Y76 HydrophobicContact CE2-CD2 3.52Å; F60-Y76 HydrophobicContact CE2-CE1 4.2Å; F60-Y76 AromaticContact CE2-CE2 3.45Å; F60-Y76 HydrophobicContact CE2-CE2 3.45Å; F60-Y76 VanDerWaalsContact CE2-CE2 3.45Å; F60-Y76 AromaticContact CE2-CG 3.91Å; F60-Y76 HydrophobicContact CE2-CG 3.91Å; F60-Y76 AromaticContact CE2-CZ 3.84Å; F60-Y271 HydrophobicContact CE1-CE2 4.37Å; F60-Y271 WeakPolarHBondContact CE1-OH 3.34Å; F60-Q291 HydrophobicContact CD2-CG 4.21Å; F60-S331 WeakPolarHBondContact CD1-O 3.39Å; F60-S331 WeakPolarHBondContact CE1-O 3.49Å; F60-L332 HydrophobicContact CE1-CD2 4.26Å; F60-L332 HydrophobicContact CZ-CD2 4.04Å
61	P	92.5	Very high	91.9	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-57.9	-42.3	178.5	-28.7	38.1	0	0	0	112.7	V57 C64 Y65 I338 F339	V57-P61 WeakPolarHBondContact O-CG 3.43Å; P61-C64 PolarHBondContact O-N 2.88Å; P61-Y65 PolarHBondContact O-N 2.84Å; P61-Y65 VanDerWaalsContact O-N 3.12Å; P61-I338 HydrophobicContact CB-CB 4.21Å; P61-I338 HydrophobicContact CB-CG1 4.38Å; P61-I338 HydrophobicContact CB-CG2 4.35Å; P61-I338 HydrophobicContact CG-CB 4.46Å; P61-I338 HydrophobicContact CG-CG1 4.16Å; P61-F339 HydrophobicContact CB-CD2 4.25Å; P61-F339 HydrophobicContact CB-CE2 3.89Å; P61-F339 WeakPolarHBondContact O-CE2 3.32Å
62	Y	88.1	Confident	92	Very high	41 Å²	41	17 Å²	17	16%	0.161	8%	0.084	C	C	.	.	H	α-helix	trans	-60.6	-50.7	175.7	171.6	-97.3	0	0	0	112	W58 R59 F60 C64 Y65 K66 S359	W58-Y62 PolarHBondContact O-N 3.36Å; R59-Y62 PolarHBondContact O-N 3.03Å; F60-Y62 VanDerWaalsContact C-N 3.29Å; F60-Y62 PolarHBondContact O-N 3.26Å; Y62-C64 VanDerWaalsContact C-N 3.32Å; Y62-C64 PolarHBondContact O-N 3.49Å; Y62-Y65 PolarHBondContact O-N 3.08Å; Y62-K66 HydrophobicContact CE1-CB 4.34Å; Y62-K66 HydrophobicContact CE1-CD 3.81Å; Y62-K66 WeakPolarHBondContact O-CB 3.46Å; Y62-K66 PolarHBondContact O-N 2.94Å; Y62-S359 WeakPolarHBondContact OH-CB 3.4Å; Y62-S359 PolarHBondContact OH-OG 3.36Å
63	L	92	Very high	92.1	Very high	8 Å²	8	18.1 Å²	18.1	4%	0.042	9%	0.09	C	C	.	.	H	α-helix	trans	-62.7	-39.9	-179.8	-70.6	-177.4	0	0	0	111.9	R59 F60 Y65 N67 F72 D287 Q291	R59-L63 HydrophobicContact CG-CD1 3.94Å; R59-L63 HydrophobicContact CG-CG 4.18Å; R59-L63 WeakPolarHBondContact O-CG 3.35Å; R59-L63 PolarHBondContact O-N 3.06Å; F60-L63 PolarHBondContact O-N 2.87Å; L63-Y65 PolarHBondContact O-N 3.23Å; L63-N67 WeakPolarHBondContact O-CB 3.31Å; L63-N67 PolarHBondContact O-N 3.48Å; L63-N67 PolarHBondContact O-ND2 3.09Å; L63-N67 VanDerWaalsContact O-ND2 3.11Å; L63-F72 HydrophobicContact CB-CE1 4.28Å; L63-F72 HydrophobicContact CB-CE2 4.25Å; L63-F72 HydrophobicContact CB-CZ 3.82Å; L63-D287 HydrophobicContact CD1-CB 4.44Å; L63-D287 HydrophobicContact CD2-CB 4.16Å; L63-Q291 HydrophobicContact CD1-CB 3.93Å; L63-Q291 HydrophobicContact CD1-CG 4.29Å
64	C	93.8	Very high	92.3	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-56.4	-53.1	175.8	-170.9	0	0	0	0	110.6	F60 P61 Y62 N67 G69 F72 Y271	F60-C64 WeakPolarHBondContact O-CB 3.38Å; F60-C64 PolarHBondContact O-N 3.22Å; P61-C64 PolarHBondContact O-N 2.88Å; Y62-C64 VanDerWaalsContact C-N 3.32Å; Y62-C64 PolarHBondContact O-N 3.49Å; C64-N67 PolarHBondContact O-N 3.24Å; C64-G69 WeakPolarHBondContact O-CA 3.29Å; C64-G69 PolarHBondContact O-N 3.48Å; C64-G69 PolarHBondContact SG-O 3.03Å; C64-F72 VanDerWaalsContact CA-CD1 3.5Å; C64-F72 HydrophobicContact CB-CD1 3.93Å; C64-Y271 HydrophobicContact CB-CD2 4.22Å; C64-Y271 HydrophobicContact CB-CE2 3.84Å; C64-Y271 WeakPolarHBondContact SG-CE2 3.43Å
65	Y	88.7	Confident	92.7	Very high	51 Å²	51	21.2 Å²	21.2	20%	0.2	11%	0.105	C	C	.	.	H	α-helix	trans	-64.2	-49.5	179.9	164.1	-103.3	0	0	0	113.3	P61 Y62 L63 N67 G68 Y270 F339 H354 A357	P61-Y65 PolarHBondContact O-N 2.84Å; P61-Y65 VanDerWaalsContact O-N 3.12Å; Y62-Y65 PolarHBondContact O-N 3.08Å; L63-Y65 PolarHBondContact O-N 3.23Å; Y65-N67 PolarHBondContact O-N 3.14Å; Y65-G68 PolarHBondContact O-N 3.46Å; Y65-Y270 HydrophobicContact CE2-CD1 4.13Å; Y65-F339 HydrophobicContact CD1-CZ 4.27Å; Y65-F339 AromaticContact CD2-CE1 3.99Å; Y65-F339 HydrophobicContact CD2-CE1 3.99Å; Y65-F339 HydrophobicContact CD2-CZ 4.18Å; Y65-F339 AromaticContact CG-CE1 3.9Å; Y65-F339 HydrophobicContact CG-CE1 3.9Å; Y65-F339 AromaticContact CG-CZ 3.63Å; Y65-F339 HydrophobicContact CG-CZ 3.63Å; Y65-H354 WeakPolarHBondContact OH-CA 3.31Å; Y65-H354 WeakPolarHBondContact OH-CB 3.46Å; Y65-A357 HydrophobicContact CD1-CB 3.97Å; Y65-A357 HydrophobicContact CE1-CB 3.79Å
66	K	90.1	Very high	93.1	Very high	92 Å²	92	20.3 Å²	20.3	40%	0.4	10%	0.095	S	C	.	.	H	α-helix	trans	-55.8	-36.8	179.4	-177.3	-164.7	177	-169.4	0	111.9	Y62 D287	Y62-K66 HydrophobicContact CE1-CB 4.34Å; Y62-K66 HydrophobicContact CE1-CD 3.81Å; Y62-K66 WeakPolarHBondContact O-CB 3.46Å; Y62-K66 PolarHBondContact O-N 2.94Å; K66-D287 IonicContact NZ-OD2 2.81Å
67	N	93.2	Very high	93.3	Very high	3 Å²	3	24.3 Å²	24.3	2%	0.016	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	29.1	-170.9	-67.6	-48.7	0	0	0	113.8	L63 C64 Y65 F72 V284 D287	L63-N67 WeakPolarHBondContact O-CB 3.31Å; L63-N67 PolarHBondContact O-N 3.48Å; L63-N67 PolarHBondContact O-ND2 3.09Å; L63-N67 VanDerWaalsContact O-ND2 3.11Å; C64-N67 PolarHBondContact O-N 3.24Å; Y65-N67 PolarHBondContact O-N 3.14Å; N67-F72 HydrophobicContact CB-CB 4.22Å; N67-F72 HydrophobicContact CB-CD2 3.48Å; N67-F72 VanDerWaalsContact CB-CD2 3.48Å; N67-F72 HydrophobicContact CB-CE2 4.18Å; N67-F72 HydrophobicContact CB-CG 4.17Å; N67-V284 HydrophobicContact CB-CB 4.32Å; N67-V284 HydrophobicContact CB-CG1 4.09Å; N67-V284 HydrophobicContact CB-CG2 3.83Å; N67-D287 WeakPolarHBondContact ND2-CB 3.45Å; N67-D287 PolarHBondContact ND2-OD2 2.91Å
68	G	91.1	Very high	93.7	Very high	9 Å²	9	26.4 Å²	26.4	9%	0.093	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	98.3	24.5	170.2	0	0	0	0	0	115.3	Y65 G70 A71 P274 D275	Y65-G68 PolarHBondContact O-N 3.46Å; G68-G70 PolarHBondContact O-N 2.85Å; G68-A71 WeakPolarHBondContact O-CB 3.5Å; G68-A71 PolarHBondContact O-N 3.33Å; G68-A71 VanDerWaalsContact O-N 3.13Å; G68-P274 WeakPolarHBondContact O-CA 3.45Å; G68-D275 PolarHBondContact O-N 2.89Å
69	G	92.7	Very high	94.4	Very high	2 Å²	2	25.3 Å²	25.3	2%	0.021	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	57.1	-122.7	176.8	0	0	0	0	0	111.5	C64 A71 F72 Y271	C64-G69 WeakPolarHBondContact O-CA 3.29Å; C64-G69 PolarHBondContact O-N 3.48Å; C64-G69 PolarHBondContact SG-O 3.03Å; G69-A71 PolarHBondContact O-N 3.04Å; G69-F72 WeakPolarHBondContact O-CB 3.48Å; G69-F72 PolarHBondContact O-N 3.04Å; G69-Y271 CarbonylContact C-O 3.31Å; G69-Y271 VanDerWaalsContact CA-O 3.24Å; G69-Y271 WeakPolarHBondContact CA-O 3.25Å
70	G	94.7	Very high	94.8	Very high	14 Å²	14	22.3 Å²	22.3	14%	0.144	11%	0.112	C	C	.	.	G	3₁₀ helix	trans	-56.9	-24.6	-179.2	0	0	0	0	0	114.7	G68 F72 L73 Y271 L272	G68-G70 PolarHBondContact O-N 2.85Å; G70-F72 VanDerWaalsContact C-N 3.33Å; G70-F72 PolarHBondContact O-N 3.41Å; G70-L73 WeakPolarHBondContact O-CB 3.38Å; G70-L73 PolarHBondContact O-N 2.8Å; G70-Y271 PolarHBondContact N-O 3.47Å; G70-L272 VanDerWaalsContact CA-O 3.28Å; G70-L272 WeakPolarHBondContact CA-O 3.43Å; G70-L272 PolarHBondContact N-O 3.15Å
71	A	97.4	Very high	95	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-64.7	-36.3	176.8	0	0	0	0	0	112.1	G68 G69 L73 I74 P75 P274 D275 W276 L279	G68-A71 WeakPolarHBondContact O-CB 3.5Å; G68-A71 PolarHBondContact O-N 3.33Å; G68-A71 VanDerWaalsContact O-N 3.13Å; G69-A71 PolarHBondContact O-N 3.04Å; A71-L73 PolarHBondContact O-N 3.5Å; A71-L73 VanDerWaalsContact O-N 3.15Å; A71-I74 PolarHBondContact O-N 3.47Å; A71-I74 VanDerWaalsContact O-N 3.12Å; A71-P75 VanDerWaalsContact O-CD 3.24Å; A71-P75 WeakPolarHBondContact O-CD 3.22Å; A71-P274 HydrophobicContact CB-CB 4.14Å; A71-D275 WeakPolarHBondContact CB-O 3.4Å; A71-W276 HydrophobicContact CB-CE3 4.27Å; A71-L279 HydrophobicContact CB-CD2 4.28Å; A71-L279 HydrophobicContact CB-CG 4.35Å; A71-L279 WeakPolarHBondContact O-CD2 3.24Å
72	F	97.3	Very high	95.3	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-59.9	-24.8	177.4	177.9	-99.4	0	0	0	113.1	F60 L63 C64 N67 G69 G70 I74 P75 Y76 V284 D287 A288	F60-F72 HydrophobicContact CD2-CE1 4.18Å; F60-F72 HydrophobicContact CE2-CD1 4.45Å; F60-F72 AromaticContact CE2-CE1 3.99Å; F60-F72 HydrophobicContact CE2-CE1 3.99Å; L63-F72 HydrophobicContact CB-CE1 4.28Å; L63-F72 HydrophobicContact CB-CE2 4.25Å; L63-F72 HydrophobicContact CB-CZ 3.82Å; C64-F72 VanDerWaalsContact CA-CD1 3.5Å; C64-F72 HydrophobicContact CB-CD1 3.93Å; N67-F72 HydrophobicContact CB-CB 4.22Å; N67-F72 HydrophobicContact CB-CD2 3.48Å; N67-F72 VanDerWaalsContact CB-CD2 3.48Å; N67-F72 HydrophobicContact CB-CE2 4.18Å; N67-F72 HydrophobicContact CB-CG 4.17Å; G69-F72 WeakPolarHBondContact O-CB 3.48Å; G69-F72 PolarHBondContact O-N 3.04Å; G70-F72 VanDerWaalsContact C-N 3.33Å; G70-F72 PolarHBondContact O-N 3.41Å; F72-I74 PolarHBondContact O-N 3.13Å; F72-P75 WeakPolarHBondContact O-CD 3.36Å; F72-P75 VanDerWaalsContact O-CG 3.3Å; F72-P75 WeakPolarHBondContact O-CG 3.34Å; F72-Y76 HydrophobicContact CE1-CD2 4.27Å; F72-Y76 WeakPolarHBondContact O-CB 3.37Å; F72-Y76 PolarHBondContact O-N 3.49Å; F72-Y76 VanDerWaalsContact O-N 3.11Å; F72-V284 HydrophobicContact CD2-CG1 4.27Å; F72-D287 HydrophobicContact CE2-CB 4.24Å; F72-A288 HydrophobicContact CD2-CB 4.23Å; F72-A288 HydrophobicContact CE2-CB 3.58Å; F72-A288 HydrophobicContact CZ-CB 3.88Å
73	L	97.4	Very high	95.7	Very high	28 Å²	28	27 Å²	27	15%	0.147	14%	0.138	C	C	.	.	H	α-helix	trans	-63.3	-30.1	178.5	-59.2	-177.7	0	0	0	111.9	F60 G70 A71 Y76 F77 L272 L332	F60-L73 HydrophobicContact CE2-CD2 4.44Å; F60-L73 HydrophobicContact CZ-CD2 3.74Å; G70-L73 WeakPolarHBondContact O-CB 3.38Å; G70-L73 PolarHBondContact O-N 2.8Å; A71-L73 PolarHBondContact O-N 3.5Å; A71-L73 VanDerWaalsContact O-N 3.15Å; L73-Y76 PolarHBondContact O-N 3.47Å; L73-F77 HydrophobicContact CB-CD2 4.15Å; L73-F77 HydrophobicContact CB-CE2 4.03Å; L73-F77 WeakPolarHBondContact O-CB 3.47Å; L73-F77 WeakPolarHBondContact O-CD2 3.39Å; L73-F77 PolarHBondContact O-N 3.4Å; L73-L272 HydrophobicContact CD1-CD2 4.42Å; L73-L332 HydrophobicContact CD1-CD2 4.34Å; L73-L332 HydrophobicContact CD2-CD2 3.83Å
74	I	98.1	Very high	96	Very high	76 Å²	76	26.6 Å²	26.6	39%	0.39	14%	0.136	S	C	.	.	H	α-helix	trans	-61.8	-61.9	177.2	-65	173.4	0	0	0	111.5	A71 F72 Y76 F77 V78 W276 L279	A71-I74 PolarHBondContact O-N 3.47Å; A71-I74 VanDerWaalsContact O-N 3.12Å; F72-I74 PolarHBondContact O-N 3.13Å; I74-Y76 PolarHBondContact O-N 3.3Å; I74-F77 PolarHBondContact O-N 3.45Å; I74-V78 HydrophobicContact CG2-CG2 4.49Å; I74-V78 VanDerWaalsContact O-CG2 3.31Å; I74-V78 WeakPolarHBondContact O-CG2 3.44Å; I74-V78 PolarHBondContact O-N 3.23Å; I74-W276 HydrophobicContact CD1-CZ3 3.8Å; I74-L279 HydrophobicContact CB-CD2 4.41Å; I74-L279 HydrophobicContact CD1-CD1 4.07Å
75	P	98.2	Very high	96.2	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-63.1	-28	178.5	24.8	-33.8	0	0	0	112.3	A71 F72 S79 L279 V284 W285 A288	A71-P75 VanDerWaalsContact O-CD 3.24Å; A71-P75 WeakPolarHBondContact O-CD 3.22Å; F72-P75 WeakPolarHBondContact O-CD 3.36Å; F72-P75 VanDerWaalsContact O-CG 3.3Å; F72-P75 WeakPolarHBondContact O-CG 3.34Å; P75-S79 VanDerWaalsContact O-CB 3.28Å; P75-S79 WeakPolarHBondContact O-CB 3.26Å; P75-S79 PolarHBondContact O-N 2.88Å; P75-S79 PolarHBondContact O-OG 3.44Å; P75-L279 HydrophobicContact CG-CD2 4.46Å; P75-V284 HydrophobicContact CG-CG1 3.88Å; P75-W285 HydrophobicContact CB-CD2 3.75Å; P75-W285 HydrophobicContact CB-CE3 3.55Å; P75-W285 HydrophobicContact CB-CG 4.36Å; P75-W285 HydrophobicContact CB-CH2 4.17Å; P75-W285 HydrophobicContact CB-CZ2 4.34Å; P75-W285 HydrophobicContact CB-CZ3 3.77Å; P75-A288 HydrophobicContact CB-CB 3.75Å; P75-A288 HydrophobicContact CG-CB 4.04Å
76	Y	98.3	Very high	96.6	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-62.8	-53.6	171.8	176.8	-90	0	0	0	111.9	F60 F72 L73 I74 V78 S79 V80 Q291 I292 T328	F60-Y76 AromaticContact CD2-CD2 3.89Å; F60-Y76 HydrophobicContact CD2-CD2 3.89Å; F60-Y76 AromaticContact CD2-CE2 3.59Å; F60-Y76 HydrophobicContact CD2-CE2 3.59Å; F60-Y76 HydrophobicContact CE2-CD1 4.22Å; F60-Y76 AromaticContact CE2-CD2 3.52Å; F60-Y76 HydrophobicContact CE2-CD2 3.52Å; F60-Y76 HydrophobicContact CE2-CE1 4.2Å; F60-Y76 AromaticContact CE2-CE2 3.45Å; F60-Y76 HydrophobicContact CE2-CE2 3.45Å; F60-Y76 VanDerWaalsContact CE2-CE2 3.45Å; F60-Y76 AromaticContact CE2-CG 3.91Å; F60-Y76 HydrophobicContact CE2-CG 3.91Å; F60-Y76 AromaticContact CE2-CZ 3.84Å; F72-Y76 HydrophobicContact CE1-CD2 4.27Å; F72-Y76 WeakPolarHBondContact O-CB 3.37Å; F72-Y76 PolarHBondContact O-N 3.49Å; F72-Y76 VanDerWaalsContact O-N 3.11Å; L73-Y76 PolarHBondContact O-N 3.47Å; I74-Y76 PolarHBondContact O-N 3.3Å; Y76-V78 VanDerWaalsContact C-N 3.35Å; Y76-V78 PolarHBondContact O-N 2.63Å; Y76-S79 WeakPolarHBondContact O-CB 3.26Å; Y76-S79 PolarHBondContact O-N 3.32Å; Y76-S79 VanDerWaalsContact O-N 3.13Å; Y76-V80 HydrophobicContact CD1-CG2 4.32Å; Y76-V80 HydrophobicContact CE1-CG2 3.94Å; Y76-V80 WeakPolarHBondContact O-CG2 3.4Å; Y76-V80 PolarHBondContact O-N 3.06Å; Y76-Q291 HydrophobicContact CD2-CG 4.42Å; Y76-Q291 HydrophobicContact CE2-CG 4.21Å; Y76-I292 HydrophobicContact CD2-CD1 3.59Å; Y76-I292 HydrophobicContact CD2-CG1 4.37Å; Y76-I292 HydrophobicContact CE1-CD1 4.29Å; Y76-I292 HydrophobicContact CE2-CD1 3.21Å; Y76-I292 HydrophobicContact CE2-CG1 4.38Å; Y76-I292 HydrophobicContact CG-CD1 4.29Å; Y76-T328 HydrophobicContact CE1-CG2 3.76Å; Y76-T328 PolarHBondContact OH-OG1 3.18Å
77	F	98.5	Very high	97	Very high	86 Å²	86	22.1 Å²	22.1	38%	0.377	12%	0.122	S	C	.	.	H	α-helix	trans	-64.8	-37.4	178.7	-77.8	-64.3	0	0	0	112.4	L73 I74 S79 V80 I81 T328 L332	L73-F77 HydrophobicContact CB-CD2 4.15Å; L73-F77 HydrophobicContact CB-CE2 4.03Å; L73-F77 WeakPolarHBondContact O-CB 3.47Å; L73-F77 WeakPolarHBondContact O-CD2 3.39Å; L73-F77 PolarHBondContact O-N 3.4Å; I74-F77 PolarHBondContact O-N 3.45Å; F77-S79 VanDerWaalsContact C-N 3.32Å; F77-S79 PolarHBondContact O-N 3.05Å; F77-V80 PolarHBondContact O-N 2.97Å; F77-I81 WeakPolarHBondContact O-CG1 3.33Å; F77-I81 PolarHBondContact O-N 3.05Å; F77-I81 VanDerWaalsContact O-N 3.14Å; F77-T328 HydrophobicContact CD1-CG2 4.48Å; F77-T328 HydrophobicContact CE1-CG2 3.6Å; F77-T328 HydrophobicContact CZ-CG2 4.08Å; F77-L332 HydrophobicContact CZ-CD1 4.44Å
78	V	98.6	Very high	97.3	Very high	45 Å²	45	22 Å²	22	27%	0.273	12%	0.122	S	C	.	.	H	α-helix	trans	-59.4	-45.8	171.8	172.1	0	0	0	0	110.1	I74 Y76 V80 I81 L82 W285 F508	I74-V78 HydrophobicContact CG2-CG2 4.49Å; I74-V78 VanDerWaalsContact O-CG2 3.31Å; I74-V78 WeakPolarHBondContact O-CG2 3.44Å; I74-V78 PolarHBondContact O-N 3.23Å; Y76-V78 VanDerWaalsContact C-N 3.35Å; Y76-V78 PolarHBondContact O-N 2.63Å; V78-V80 PolarHBondContact O-N 3.22Å; V78-I81 PolarHBondContact O-N 3.01Å; V78-L82 HydrophobicContact CG1-CD1 3.47Å; V78-L82 VanDerWaalsContact CG1-CD1 3.47Å; V78-L82 HydrophobicContact CG1-CG 3.98Å; V78-L82 WeakPolarHBondContact O-CB 3.37Å; V78-L82 VanDerWaalsContact O-CG 3.32Å; V78-L82 WeakPolarHBondContact O-CG 3.42Å; V78-L82 PolarHBondContact O-N 3.34Å; V78-W285 HydrophobicContact CB-CZ3 4.26Å; V78-W285 HydrophobicContact CG1-CZ3 4.02Å; V78-F508 HydrophobicContact CG1-CE2 4.09Å; V78-F508 HydrophobicContact CG1-CZ 4.26Å
79	S	98.4	Very high	97.6	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.007	12%	0.124	C	C	.	.	H	α-helix	trans	-64.5	-37	178.5	-59.8	0	0	0	0	113	P75 Y76 F77 I81 A83 G84 F508	P75-S79 VanDerWaalsContact O-CB 3.28Å; P75-S79 WeakPolarHBondContact O-CB 3.26Å; P75-S79 PolarHBondContact O-N 2.88Å; P75-S79 PolarHBondContact O-OG 3.44Å; Y76-S79 WeakPolarHBondContact O-CB 3.26Å; Y76-S79 PolarHBondContact O-N 3.32Å; Y76-S79 VanDerWaalsContact O-N 3.13Å; F77-S79 VanDerWaalsContact C-N 3.32Å; F77-S79 PolarHBondContact O-N 3.05Å; S79-I81 VanDerWaalsContact C-N 3.33Å; S79-I81 PolarHBondContact O-N 2.83Å; S79-A83 PolarHBondContact O-N 3.35Å; S79-G84 PolarHBondContact O-N 3.29Å; S79-F508 WeakPolarHBondContact OG-CZ 3.37Å
80	V	98.5	Very high	97.8	Very high	13 Å²	13	23 Å²	23	8%	0.079	12%	0.124	C	C	.	.	I	π-helix	trans	-57.4	-47.1	172.5	169.9	0	0	0	0	110.8	Y76 F77 V78 G84 V85 I292 Y296	Y76-V80 HydrophobicContact CD1-CG2 4.32Å; Y76-V80 HydrophobicContact CE1-CG2 3.94Å; Y76-V80 WeakPolarHBondContact O-CG2 3.4Å; Y76-V80 PolarHBondContact O-N 3.06Å; F77-V80 PolarHBondContact O-N 2.97Å; V78-V80 PolarHBondContact O-N 3.22Å; V80-G84 WeakPolarHBondContact O-CA 3.19Å; V80-G84 PolarHBondContact O-N 2.94Å; V80-V85 HydrophobicContact CG1-CG2 4.03Å; V80-V85 PolarHBondContact O-N 2.79Å; V80-I292 HydrophobicContact CG2-CD1 3.43Å; V80-I292 VanDerWaalsContact CG2-CD1 3.43Å; V80-I292 HydrophobicContact CG2-CG1 4.17Å; V80-Y296 WeakPolarHBondContact CG1-OH 3.33Å
81	I	98.1	Very high	98	Very high	93 Å²	93	22.3 Å²	22.3	48%	0.477	12%	0.117	S	C	.	.	I	π-helix	trans	-75.7	-44.2	-174.2	-64.1	166.4	0	0	0	111.5	F77 V78 S79 P86 Y500	F77-I81 WeakPolarHBondContact O-CG1 3.33Å; F77-I81 PolarHBondContact O-N 3.05Å; F77-I81 VanDerWaalsContact O-N 3.14Å; V78-I81 PolarHBondContact O-N 3.01Å; S79-I81 VanDerWaalsContact C-N 3.33Å; S79-I81 PolarHBondContact O-N 2.83Å; I81-P86 WeakPolarHBondContact O-CD 3.26Å; I81-P86 WeakPolarHBondContact O-CG 3.35Å; I81-Y500 WeakPolarHBondContact O-CE1 3.49Å
82	L	98.2	Very high	98.1	Very high	45 Å²	45	22.3 Å²	22.3	24%	0.236	12%	0.117	C	C	.	.	I	π-helix	trans	-84	-29.2	-171.4	-57.2	-173.8	0	0	0	113.7	V78 I504 T505 F508	V78-L82 HydrophobicContact CG1-CD1 3.47Å; V78-L82 VanDerWaalsContact CG1-CD1 3.47Å; V78-L82 HydrophobicContact CG1-CG 3.98Å; V78-L82 WeakPolarHBondContact O-CB 3.37Å; V78-L82 VanDerWaalsContact O-CG 3.32Å; V78-L82 WeakPolarHBondContact O-CG 3.42Å; V78-L82 PolarHBondContact O-N 3.34Å; L82-I504 HydrophobicContact CB-CG2 3.97Å; L82-I504 HydrophobicContact CD2-CG2 3.57Å; L82-I504 HydrophobicContact CG-CG2 4.22Å; L82-T505 WeakPolarHBondContact O-CA 3.46Å; L82-T505 PolarHBondContact O-OG1 2.9Å; L82-F508 HydrophobicContact CB-CB 4.29Å; L82-F508 HydrophobicContact CB-CD1 3.93Å; L82-F508 HydrophobicContact CB-CD2 4.24Å; L82-F508 HydrophobicContact CB-CE1 4.28Å; L82-F508 HydrophobicContact CB-CG 3.89Å; L82-F508 HydrophobicContact CD1-CD2 3.61Å; L82-F508 HydrophobicContact CD1-CE2 3.84Å; L82-F508 HydrophobicContact CD1-CG 4.1Å; L82-F508 HydrophobicContact CD1-CZ 4.48Å
83	A	97.3	Very high	98.1	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.117	C	C	.	.	I	π-helix	trans	-126.1	-48.6	-179.1	0	0	0	0	0	113.7	S79 P86 L87 F293 F508	S79-A83 PolarHBondContact O-N 3.35Å; A83-P86 WeakPolarHBondContact O-CD 3.44Å; A83-L87 HydrophobicContact CB-CD1 4.11Å; A83-L87 VanDerWaalsContact O-CB 3.23Å; A83-L87 WeakPolarHBondContact O-CB 3.33Å; A83-L87 VanDerWaalsContact O-CG 3.31Å; A83-L87 WeakPolarHBondContact O-CG 3.13Å; A83-L87 PolarHBondContact O-N 2.94Å; A83-F293 HydrophobicContact CB-CE2 3.92Å; A83-F293 HydrophobicContact CB-CZ 3.99Å; A83-F508 HydrophobicContact CB-CD1 3.82Å; A83-F508 HydrophobicContact CB-CE1 4.15Å
84	G	97.9	Very high	98.1	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.11	C	C	.	.	I	π-helix	trans	-54.8	-65.9	-172.3	0	0	0	0	0	113.7	S79 V80 F88 I292	S79-G84 PolarHBondContact O-N 3.29Å; V80-G84 WeakPolarHBondContact O-CA 3.19Å; V80-G84 PolarHBondContact O-N 2.94Å; G84-F88 WeakPolarHBondContact O-CB 3.48Å; G84-F88 PolarHBondContact O-N 3.38Å; G84-I292 VanDerWaalsContact CA-CG2 3.44Å
85	V	97.9	Very high	98.1	Very high	31 Å²	31	17.4 Å²	17.4	19%	0.188	9%	0.092	C	C	.	.	H	α-helix	trans	-62.3	-47.4	-178.9	175.7	0	0	0	0	112.3	V80 L87 L89 Y296 L321 A324	V80-V85 HydrophobicContact CG1-CG2 4.03Å; V80-V85 PolarHBondContact O-N 2.79Å; V85-L87 PolarHBondContact O-N 3.35Å; V85-L89 WeakPolarHBondContact O-CB 3.12Å; V85-L89 PolarHBondContact O-N 2.89Å; V85-Y296 HydrophobicContact CG2-CE1 4.46Å; V85-L321 HydrophobicContact CG1-CD2 3.99Å; V85-A324 HydrophobicContact CG2-CB 3.65Å
86	P	97.6	Very high	98	Very high	18 Å²	18	17.4 Å²	17.4	12%	0.117	9%	0.092	C	C	.	.	H	α-helix	trans	-61	-44.7	-179.7	-26.2	35.8	0	0	0	114.2	I81 A83 L90 Y500 T505	I81-P86 WeakPolarHBondContact O-CD 3.26Å; I81-P86 WeakPolarHBondContact O-CG 3.35Å; A83-P86 WeakPolarHBondContact O-CD 3.44Å; P86-L90 WeakPolarHBondContact O-CB 3.4Å; P86-L90 PolarHBondContact O-N 3Å; P86-Y500 HydrophobicContact CB-CD1 3.97Å; P86-Y500 HydrophobicContact CB-CG 4.36Å; P86-Y500 HydrophobicContact CG-CD1 3.36Å; P86-Y500 HydrophobicContact CG-CE1 3.65Å; P86-Y500 HydrophobicContact CG-CG 4.1Å; P86-T505 HydrophobicContact CB-CG2 4.44Å; P86-T505 WeakPolarHBondContact CB-OG1 3.3Å
87	L	98.1	Very high	97.9	Very high	1 Å²	1	17.4 Å²	17.4	1%	0.005	9%	0.092	C	C	.	.	H	α-helix	trans	-72.1	-41.3	-179	-71.7	169.8	0	0	0	112.1	A83 V85 L89 L90 E91 F293 I298 C469 T505	A83-L87 HydrophobicContact CB-CD1 4.11Å; A83-L87 VanDerWaalsContact O-CB 3.23Å; A83-L87 WeakPolarHBondContact O-CB 3.33Å; A83-L87 VanDerWaalsContact O-CG 3.31Å; A83-L87 WeakPolarHBondContact O-CG 3.13Å; A83-L87 PolarHBondContact O-N 2.94Å; V85-L87 PolarHBondContact O-N 3.35Å; L87-L89 VanDerWaalsContact C-N 3.29Å; L87-L89 PolarHBondContact O-N 2.95Å; L87-L90 WeakPolarHBondContact O-CB 3.44Å; L87-L90 PolarHBondContact O-N 3.36Å; L87-L90 VanDerWaalsContact O-N 3.13Å; L87-E91 PolarHBondContact O-N 2.94Å; L87-F293 HydrophobicContact CD1-CD1 4.43Å; L87-F293 HydrophobicContact CD1-CE1 3.37Å; L87-F293 HydrophobicContact CD1-CZ 3.44Å; L87-F293 VanDerWaalsContact CD1-CZ 3.44Å; L87-I298 HydrophobicContact CB-CD1 4.04Å; L87-I298 HydrophobicContact CB-CG1 4.47Å; L87-I298 HydrophobicContact CB-CG2 3.64Å; L87-I298 HydrophobicContact CD1-CG2 4.02Å; L87-I298 HydrophobicContact CG-CG2 4.36Å; L87-C469 WeakPolarHBondContact CD2-SG 3.5Å; L87-T505 HydrophobicContact CD1-CG2 4.03Å; L87-T505 HydrophobicContact CD2-CG2 3.73Å; L87-T505 HydrophobicContact CG-CG2 3.57Å
88	F	98.4	Very high	97.7	Very high	1 Å²	1	13.7 Å²	13.7	0%	0.004	8%	0.076	C	C	.	.	H	α-helix	trans	-58.9	-45.1	175.4	-169	-79.9	0	0	0	110.8	C47 G84 V92 Y296 L303 C320 F323	C47-F88 HydrophobicContact CB-CZ 3.95Å; G84-F88 WeakPolarHBondContact O-CB 3.48Å; G84-F88 PolarHBondContact O-N 3.38Å; F88-V92 HydrophobicContact CD1-CG2 4.02Å; F88-V92 HydrophobicContact CE1-CG2 3.8Å; F88-V92 WeakPolarHBondContact O-CB 3.45Å; F88-V92 VanDerWaalsContact O-CG2 3.23Å; F88-V92 WeakPolarHBondContact O-CG2 3.32Å; F88-V92 PolarHBondContact O-N 3.08Å; F88-V92 VanDerWaalsContact O-N 3.1Å; F88-Y296 HydrophobicContact CB-CD1 4.09Å; F88-Y296 HydrophobicContact CD2-CD1 4Å; F88-Y296 HydrophobicContact CD2-CG 4.45Å; F88-Y296 WeakPolarHBondContact CE2-O 3.07Å; F88-Y296 HydrophobicContact CG-CD1 4.31Å; F88-L303 HydrophobicContact CD2-CD1 3.34Å; F88-L303 HydrophobicContact CD2-CD2 4.05Å; F88-L303 HydrophobicContact CD2-CG 4.32Å; F88-L303 HydrophobicContact CE2-CD1 3.58Å; F88-L303 HydrophobicContact CE2-CD2 3.32Å; F88-L303 HydrophobicContact CE2-CG 4.08Å; F88-L303 HydrophobicContact CG-CD1 3.99Å; F88-L303 HydrophobicContact CZ-CD1 4.37Å; F88-L303 HydrophobicContact CZ-CD2 3.64Å; F88-C320 HydrophobicContact CD1-CB 4.08Å; F88-C320 VanDerWaalsContact CD1-SG 3.57Å; F88-C320 HydrophobicContact CE1-CB 4.41Å; F88-F323 HydrophobicContact CD1-CD1 4.14Å; F88-F323 HydrophobicContact CD1-CE1 4.41Å; F88-F323 HydrophobicContact CD2-CD1 4.07Å; F88-F323 AromaticContact CD2-CE1 3.52Å; F88-F323 HydrophobicContact CD2-CE1 3.52Å; F88-F323 HydrophobicContact CD2-CZ 4.25Å; F88-F323 AromaticContact CE1-CD1 3.79Å; F88-F323 HydrophobicContact CE1-CD1 3.79Å; F88-F323 HydrophobicContact CE1-CE1 4.2Å; F88-F323 HydrophobicContact CE1-CG 4.34Å; F88-F323 AromaticContact CE2-CD1 3.7Å; F88-F323 HydrophobicContact CE2-CD1 3.7Å; F88-F323 AromaticContact CE2-CE1 3.24Å; F88-F323 HydrophobicContact CE2-CE1 3.24Å; F88-F323 HydrophobicContact CE2-CE2 4.42Å; F88-F323 HydrophobicContact CE2-CG 4.45Å; F88-F323 AromaticContact CE2-CZ 3.67Å; F88-F323 HydrophobicContact CE2-CZ 3.67Å; F88-F323 HydrophobicContact CG-CD1 4.27Å; F88-F323 HydrophobicContact CG-CE1 4.11Å; F88-F323 AromaticContact CZ-CD1 3.56Å; F88-F323 HydrophobicContact CZ-CD1 3.56Å; F88-F323 HydrophobicContact CZ-CD2 4.48Å; F88-F323 AromaticContact CZ-CE1 3.63Å; F88-F323 HydrophobicContact CZ-CE1 3.63Å; F88-F323 HydrophobicContact CZ-CG 4.02Å; F88-F323 HydrophobicContact CZ-CZ 4.15Å
89	L	97.5	Very high	97.5	Very high	26 Å²	26	12.5 Å²	12.5	14%	0.136	7%	0.069	C	C	.	.	H	α-helix	trans	-66	-38.2	175.3	-178.7	58.9	0	0	0	112.1	V85 L87 A93 V317 C320 M485	V85-L89 WeakPolarHBondContact O-CB 3.12Å; V85-L89 PolarHBondContact O-N 2.89Å; L87-L89 VanDerWaalsContact C-N 3.29Å; L87-L89 PolarHBondContact O-N 2.95Å; L89-A93 WeakPolarHBondContact O-CB 3.36Å; L89-A93 PolarHBondContact O-N 2.76Å; L89-V317 HydrophobicContact CD1-CB 4.5Å; L89-V317 HydrophobicContact CD1-CG2 3.95Å; L89-V317 HydrophobicContact CD2-CG2 4.33Å; L89-C320 HydrophobicContact CD1-CB 4.43Å; L89-M485 HydrophobicContact CD1-CE 4.37Å; L89-M485 HydrophobicContact CD2-CE 3.85Å; L89-M485 HydrophobicContact CG-CE 4.03Å
90	L	97.8	Very high	97.3	Very high	4 Å²	4	13.4 Å²	13.4	2%	0.021	7%	0.073	C	C	.	.	H	α-helix	trans	-58.8	-51	176.3	172.4	141.3	0	0	0	111.5	P86 L87 A93 L94 E468 I472 L501	P86-L90 WeakPolarHBondContact O-CB 3.4Å; P86-L90 PolarHBondContact O-N 3Å; L87-L90 WeakPolarHBondContact O-CB 3.44Å; L87-L90 PolarHBondContact O-N 3.36Å; L87-L90 VanDerWaalsContact O-N 3.13Å; L90-A93 PolarHBondContact O-N 3.49Å; L90-L94 VanDerWaalsContact O-CB 3.25Å; L90-L94 WeakPolarHBondContact O-CB 3.2Å; L90-L94 PolarHBondContact O-N 3.09Å; L90-E468 HydrophobicContact CD2-CB 4.23Å; L90-I472 HydrophobicContact CD1-CB 4.13Å; L90-I472 HydrophobicContact CD1-CG1 4.28Å; L90-I472 HydrophobicContact CD1-CG2 4.12Å; L90-L501 HydrophobicContact CB-CD2 4.47Å; L90-L501 HydrophobicContact CD1-CD2 3.4Å; L90-L501 VanDerWaalsContact CD1-CD2 3.4Å
91	E	98.6	Very high	97.1	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-64.1	-44.8	-179.5	-78.2	-170.7	-124	0	0	111.6	L87 A93 L94 G95 I298 G299 L303 T304	L87-E91 PolarHBondContact O-N 2.94Å; E91-A93 PolarHBondContact O-N 2.88Å; E91-L94 PolarHBondContact O-N 3.37Å; E91-G95 PolarHBondContact O-N 2.86Å; E91-I298 WeakPolarHBondContact OE1-CA 3.4Å; E91-I298 WeakPolarHBondContact OE1-CG2 3.48Å; E91-G299 PolarHBondContact OE1-N 3.23Å; E91-L303 HydrophobicContact CB-CB 3.87Å; E91-L303 HydrophobicContact CB-CD1 4.47Å; E91-T304 WeakPolarHBondContact O-CA 3.46Å; E91-T304 PolarHBondContact O-OG1 3.01Å
92	V	98.6	Very high	97.1	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-62.7	-44.7	178	169.1	0	0	0	0	111.4	F43 F88 G95 Q96 L303	F43-V92 HydrophobicContact CE1-CG1 4.04Å; F43-V92 HydrophobicContact CE2-CG1 4.15Å; F43-V92 HydrophobicContact CE2-CG2 4.42Å; F43-V92 HydrophobicContact CZ-CB 4.26Å; F43-V92 HydrophobicContact CZ-CG1 3.38Å; F43-V92 HydrophobicContact CZ-CG2 3.77Å; F88-V92 HydrophobicContact CD1-CG2 4.02Å; F88-V92 HydrophobicContact CE1-CG2 3.8Å; F88-V92 WeakPolarHBondContact O-CB 3.45Å; F88-V92 VanDerWaalsContact O-CG2 3.23Å; F88-V92 WeakPolarHBondContact O-CG2 3.32Å; F88-V92 PolarHBondContact O-N 3.08Å; F88-V92 VanDerWaalsContact O-N 3.1Å; V92-G95 PolarHBondContact O-N 3.11Å; V92-Q96 VanDerWaalsContact O-CB 3.3Å; V92-Q96 WeakPolarHBondContact O-CB 3.45Å; V92-Q96 PolarHBondContact O-N 3.35Å; V92-L303 HydrophobicContact CG2-CB 4.25Å
93	A	97.6	Very high	97.1	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-66.7	-41.8	179	0	0	0	0	0	111.3	L89 L90 E91 G95 Q96 F97 F481 M485 M488	L89-A93 WeakPolarHBondContact O-CB 3.36Å; L89-A93 PolarHBondContact O-N 2.76Å; L90-A93 PolarHBondContact O-N 3.49Å; E91-A93 PolarHBondContact O-N 2.88Å; A93-G95 VanDerWaalsContact C-N 3.34Å; A93-G95 PolarHBondContact O-N 3.29Å; A93-Q96 PolarHBondContact O-N 2.8Å; A93-F97 WeakPolarHBondContact O-CB 3.17Å; A93-F97 PolarHBondContact O-N 2.77Å; A93-F481 HydrophobicContact CB-CE1 4.5Å; A93-F481 HydrophobicContact CB-CZ 3.93Å; A93-M485 HydrophobicContact CB-CE 4.48Å; A93-M485 HydrophobicContact CB-CG 4.37Å; A93-M488 HydrophobicContact CB-CE 4.13Å
94	L	97.7	Very high	97.1	Very high	1 Å²	1	7.2 Å²	7.2	1%	0.005	4%	0.041	C	C	.	.	H	α-helix	trans	-57.9	-48.6	173.7	176.1	62.5	0	0	0	110.6	L90 E91 F97 M98 A105 W106 I108 T304 I472	L90-L94 VanDerWaalsContact O-CB 3.25Å; L90-L94 WeakPolarHBondContact O-CB 3.2Å; L90-L94 PolarHBondContact O-N 3.09Å; E91-L94 PolarHBondContact O-N 3.37Å; L94-F97 PolarHBondContact O-N 2.83Å; L94-M98 HydrophobicContact CD1-CG 3.81Å; L94-M98 VanDerWaalsContact O-CB 3.31Å; L94-M98 WeakPolarHBondContact O-CB 3.29Å; L94-M98 VanDerWaalsContact O-CG 3.29Å; L94-M98 WeakPolarHBondContact O-CG 3.39Å; L94-M98 PolarHBondContact O-N 2.91Å; L94-A105 HydrophobicContact CD2-CB 4.44Å; L94-A105 HydrophobicContact CG-CB 4.17Å; L94-W106 HydrophobicContact CD2-CH2 4.45Å; L94-W106 HydrophobicContact CD2-CZ2 4.14Å; L94-I108 HydrophobicContact CD1-CB 4.27Å; L94-I108 HydrophobicContact CD1-CD1 3.72Å; L94-I108 HydrophobicContact CD1-CG2 3.89Å; L94-T304 HydrophobicContact CG-CG2 4.47Å; L94-I472 HydrophobicContact CD1-CD1 4.42Å
95	G	97.6	Very high	97	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-59.5	-50.5	176.1	0	0	0	0	0	112.8	E91 V92 A93 F97 S99 T304 S308	E91-G95 PolarHBondContact O-N 2.86Å; V92-G95 PolarHBondContact O-N 3.11Å; A93-G95 VanDerWaalsContact C-N 3.34Å; A93-G95 PolarHBondContact O-N 3.29Å; G95-F97 PolarHBondContact O-N 3.49Å; G95-S99 VanDerWaalsContact O-CA 3.27Å; G95-S99 WeakPolarHBondContact O-CA 3.27Å; G95-S99 PolarHBondContact O-N 3.46Å; G95-T304 VanDerWaalsContact CA-O 3.22Å; G95-T304 WeakPolarHBondContact CA-O 3.37Å; G95-S308 VanDerWaalsContact O-CA 3.24Å; G95-S308 WeakPolarHBondContact O-CA 3.41Å
96	Q	96.8	Very high	97	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-63.2	-41.5	-179.6	-178.3	171.6	-40.7	0	0	112.1	V92 A93 G307 N310 R311 Y312 H314 S316 M488 R586	V92-Q96 VanDerWaalsContact O-CB 3.3Å; V92-Q96 WeakPolarHBondContact O-CB 3.45Å; V92-Q96 PolarHBondContact O-N 3.35Å; A93-Q96 PolarHBondContact O-N 2.8Å; Q96-G307 VanDerWaalsContact CA-O 3.26Å; Q96-G307 WeakPolarHBondContact CA-O 3.05Å; Q96-G307 PolarHBondContact N-O 3.06Å; Q96-N310 HydrophobicContact CB-CB 4.39Å; Q96-N310 HydrophobicContact CG-CB 3.85Å; Q96-N310 PolarHBondContact OE1-ND2 3.49Å; Q96-N310 VanDerWaalsContact OE1-ND2 3.14Å; Q96-R311 PolarHBondContact NE2-O 3.34Å; Q96-Y312 PolarHBondContact NE2-O 2.91Å; Q96-H314 PolarHBondContact NE2-O 2.92Å; Q96-S316 VanDerWaalsContact OE1-CB 3.26Å; Q96-S316 PolarHBondContact OE1-OG 3.01Å; Q96-M488 HydrophobicContact CB-SD 4.05Å; Q96-M488 HydrophobicContact CG-SD 3.74Å; Q96-R586 PolarHBondContact O-NH2 3.22Å
97	F	95.9	Very high	97	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-66.5	-54.5	178	-178.6	-109	0	0	0	110.9	A93 L94 G95 S99 I108 Y312 D484 M488 L582 R586 T590	A93-F97 WeakPolarHBondContact O-CB 3.17Å; A93-F97 PolarHBondContact O-N 2.77Å; L94-F97 PolarHBondContact O-N 2.83Å; G95-F97 PolarHBondContact O-N 3.49Å; F97-S99 VanDerWaalsContact C-N 3.31Å; F97-S99 PolarHBondContact O-N 3.48Å; F97-I108 HydrophobicContact CD1-CD1 4.32Å; F97-I108 HydrophobicContact CE1-CD1 4.44Å; F97-Y312 AromaticContact CD2-CE2 3.9Å; F97-Y312 HydrophobicContact CD2-CE2 3.9Å; F97-Y312 HydrophobicContact CE2-CE2 4.37Å; F97-D484 HydrophobicContact CD2-CB 3.69Å; F97-D484 HydrophobicContact CE1-CB 4.35Å; F97-D484 HydrophobicContact CE2-CB 3.49Å; F97-D484 VanDerWaalsContact CE2-CB 3.49Å; F97-D484 WeakPolarHBondContact CE2-OD1 3.19Å; F97-D484 HydrophobicContact CG-CB 4.21Å; F97-D484 HydrophobicContact CZ-CB 3.85Å; F97-D484 WeakPolarHBondContact CZ-OD1 3.48Å; F97-M488 HydrophobicContact CB-CE 3.94Å; F97-M488 HydrophobicContact CB-SD 3.73Å; F97-M488 HydrophobicContact CD2-CG 4.49Å; F97-M488 HydrophobicContact CD2-SD 4.3Å; F97-L582 HydrophobicContact CE1-CD1 4.35Å; F97-L582 HydrophobicContact CE1-CD2 3.96Å; F97-L582 HydrophobicContact CZ-CD1 4.18Å; F97-R586 WeakPolarHBondContact O-CD 2.96Å; F97-R586 PolarHBondContact O-NE 2.84Å; F97-R586 PolarHBondContact O-NH2 3.09Å; F97-T590 HydrophobicContact CE2-CG2 3.78Å; F97-T590 HydrophobicContact CZ-CG2 4.05Å
98	M	95	Very high	96.9	Very high	8 Å²	8	5.4 Å²	5.4	4%	0.039	3%	0.029	C	C	.	.	H	α-helix	trans	-73.1	-24.4	-176.8	-62.8	-59.8	-64.7	0	0	112.9	L94 K100 A105 D107 I108 L582	L94-M98 HydrophobicContact CD1-CG 3.81Å; L94-M98 VanDerWaalsContact O-CB 3.31Å; L94-M98 WeakPolarHBondContact O-CB 3.29Å; L94-M98 VanDerWaalsContact O-CG 3.29Å; L94-M98 WeakPolarHBondContact O-CG 3.39Å; L94-M98 PolarHBondContact O-N 2.91Å; M98-K100 HydrophobicContact CB-CB 4.33Å; M98-K100 PolarHBondContact O-N 3.33Å; M98-A105 HydrophobicContact CB-CB 4.18Å; M98-A105 HydrophobicContact CG-CB 4.39Å; M98-A105 WeakPolarHBondContact CG-O 3.38Å; M98-D107 HydrophobicContact CE-CB 3.87Å; M98-I108 HydrophobicContact CE-CB 4.13Å; M98-I108 HydrophobicContact CG-CB 4.46Å; M98-I108 HydrophobicContact SD-CB 3.85Å; M98-I108 HydrophobicContact SD-CD1 4.2Å; M98-I108 HydrophobicContact SD-CG1 4.13Å; M98-L582 HydrophobicContact CE-CD2 3.75Å; M98-L582 HydrophobicContact SD-CD2 3.51Å; M98-L582 VanDerWaalsContact SD-CD2 3.51Å
99	S	94.1	Very high	96.8	Very high	20 Å²	20	5.3 Å²	5.3	14%	0.14	3%	0.029	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	37	-173.3	-172.9	0	0	0	0	113.2	R34 R36 G95 F97	R34-S99 VanDerWaalsContact CD-O 3.3Å; R34-S99 WeakPolarHBondContact CD-O 3.39Å; R34-S99 PolarHBondContact NE-O 3.24Å; R36-S99 PolarHBondContact NH1-OG 3.03Å; R36-S99 VanDerWaalsContact NH1-OG 3.14Å; R36-S99 PolarHBondContact NH2-OG 3.47Å; G95-S99 VanDerWaalsContact O-CA 3.27Å; G95-S99 WeakPolarHBondContact O-CA 3.27Å; G95-S99 PolarHBondContact O-N 3.46Å; F97-S99 VanDerWaalsContact C-N 3.31Å; F97-S99 PolarHBondContact O-N 3.48Å
100	K	94.4	Very high	96.8	Very high	20 Å²	20	4.1 Å²	4.1	9%	0.087	2%	0.023	C	C	.	.			trans	-133.2	157.5	-177	-74.1	174.8	171.8	-178.2	0	110.5	M98 A104 A105 D107 S308 E619	M98-K100 HydrophobicContact CB-CB 4.33Å; M98-K100 PolarHBondContact O-N 3.33Å; K100-A104 HydrophobicContact CB-CB 4Å; K100-A104 HydrophobicContact CD-CB 3.79Å; K100-A104 VanDerWaalsContact CD-O 3.22Å; K100-A104 WeakPolarHBondContact CD-O 3.32Å; K100-A104 HydrophobicContact CG-CB 4.17Å; K100-A105 HydrophobicContact CB-CB 4.32Å; K100-D107 IonicContact NZ-OD2 2.64Å; K100-D107 PolarHBondContact NZ-OD2 2.87Å; K100-S308 WeakPolarHBondContact O-CB 3.24Å; K100-E619 WeakPolarHBondContact CE-OE1 3.4Å; K100-E619 IonicContact NZ-OE1 2.67Å; K100-E619 PolarHBondContact NZ-OE1 2.88Å
101	G	95	Very high	96.8	Very high	0 Å²	0	4.4 Å²	4.4	0%	0	2%	0.024	C	C	.	.			trans	-71.6	-178.8	172.9	0	0	0	0	0	112.6	I103 A104 A105 D410	G101-I103 VanDerWaalsContact C-N 3.31Å; G101-I103 PolarHBondContact O-N 3.41Å; G101-I103 VanDerWaalsContact O-N 3.13Å; G101-A104 PolarHBondContact O-N 2.83Å; G101-A105 VanDerWaalsContact O-CB 3.22Å; G101-A105 WeakPolarHBondContact O-CB 3.26Å; G101-A105 PolarHBondContact O-N 2.71Å; G101-D410 WeakPolarHBondContact CA-OD2 3.3Å; G101-D410 PolarHBondContact N-OD2 2.86Å
102	A	97.4	Very high	96.8	Very high	2 Å²	2	5.7 Å²	5.7	2%	0.017	3%	0.03	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53	-40.2	-166.7	0	0	0	0	0	115	W106 G116 G301 A407	A102-W106 PolarHBondContact O-NE1 3.22Å; A102-G116 WeakPolarHBondContact O-CA 3.47Å; A102-G301 WeakPolarHBondContact CB-O 3.31Å; A102-A407 HydrophobicContact CB-CB 3.92Å
103	I	98.1	Very high	96.7	Very high	16 Å²	16	7.4 Å²	7.4	8%	0.082	4%	0.036	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-55	-177.7	-58.2	168.4	0	0	0	110.7	G101 A105 W106 T120 A407 I408 Y411	G101-I103 VanDerWaalsContact C-N 3.31Å; G101-I103 PolarHBondContact O-N 3.41Å; G101-I103 VanDerWaalsContact O-N 3.13Å; I103-A105 PolarHBondContact O-N 3.37Å; I103-W106 WeakPolarHBondContact O-CB 3.04Å; I103-W106 PolarHBondContact O-N 3.39Å; I103-W106 VanDerWaalsContact O-N 3.08Å; I103-T120 HydrophobicContact CD1-CG2 4.33Å; I103-T120 WeakPolarHBondContact CG1-OG1 3.38Å; I103-A407 HydrophobicContact CD1-CB 4.24Å; I103-A407 HydrophobicContact CG1-CB 4.18Å; I103-I408 HydrophobicContact CD1-CD1 4Å; I103-Y411 HydrophobicContact CB-CE2 3.85Å; I103-Y411 HydrophobicContact CG2-CE2 3.57Å; I103-Y411 WeakPolarHBondContact CG2-OH 3.31Å
104	A	96.7	Very high	96.8	Very high	3 Å²	3	7.4 Å²	7.4	3%	0.025	4%	0.036	C	C	.	.	G	3₁₀ helix	trans	-70.7	-19.1	-173.9	0	0	0	0	0	113.1	K100 G101 W106 D107 D410 Y411	K100-A104 HydrophobicContact CB-CB 4Å; K100-A104 HydrophobicContact CD-CB 3.79Å; K100-A104 VanDerWaalsContact CD-O 3.22Å; K100-A104 WeakPolarHBondContact CD-O 3.32Å; K100-A104 HydrophobicContact CG-CB 4.17Å; G101-A104 PolarHBondContact O-N 2.83Å; A104-W106 PolarHBondContact O-N 2.99Å; A104-D107 WeakPolarHBondContact O-CB 3.4Å; A104-D107 PolarHBondContact O-N 2.82Å; A104-D410 HydrophobicContact CB-CB 3.68Å; A104-Y411 WeakPolarHBondContact CA-OH 3.39Å; A104-Y411 HydrophobicContact CB-CE2 3.95Å
105	A	97.3	Very high	96.8	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.036	C	C	.	.	G	3₁₀ helix	trans	-60.5	-25.5	170.3	0	0	0	0	0	112.9	L94 M98 K100 G101 I103 D107 I108 T304	L94-A105 HydrophobicContact CD2-CB 4.44Å; L94-A105 HydrophobicContact CG-CB 4.17Å; M98-A105 HydrophobicContact CB-CB 4.18Å; M98-A105 HydrophobicContact CG-CB 4.39Å; M98-A105 WeakPolarHBondContact CG-O 3.38Å; K100-A105 HydrophobicContact CB-CB 4.32Å; G101-A105 VanDerWaalsContact O-CB 3.22Å; G101-A105 WeakPolarHBondContact O-CB 3.26Å; G101-A105 PolarHBondContact O-N 2.71Å; I103-A105 PolarHBondContact O-N 3.37Å; A105-D107 PolarHBondContact O-N 3.37Å; A105-D107 VanDerWaalsContact O-N 3.15Å; A105-I108 PolarHBondContact O-N 3.4Å; A105-T304 HydrophobicContact CB-CG2 3.51Å
106	W	97.8	Very high	96.8	Very high	3 Å²	3	7.3 Å²	7.3	1%	0.011	4%	0.036	C	C	.	.	G	3₁₀ helix	trans	-73.6	3.9	173.7	-68.5	95.2	0	0	0	114.1	L94 A102 I103 A104 I108 C109 F112 R113 I115 G116 E468 V471 I472	L94-W106 HydrophobicContact CD2-CH2 4.45Å; L94-W106 HydrophobicContact CD2-CZ2 4.14Å; A102-W106 PolarHBondContact O-NE1 3.22Å; I103-W106 WeakPolarHBondContact O-CB 3.04Å; I103-W106 PolarHBondContact O-N 3.39Å; I103-W106 VanDerWaalsContact O-N 3.08Å; A104-W106 PolarHBondContact O-N 2.99Å; W106-I108 PolarHBondContact O-N 3.26Å; W106-I108 VanDerWaalsContact O-N 3.11Å; W106-C109 CarbonylContact O-C 3.59Å; W106-C109 WeakPolarHBondContact O-CA 3.46Å; W106-C109 PolarHBondContact O-N 3.33Å; W106-C109 VanDerWaalsContact O-O 3.11Å; W106-F112 HydrophobicContact CE3-CB 4.33Å; W106-R113 HydrophobicContact CB-CB 4.34Å; W106-R113 HydrophobicContact CB-CG 3.92Å; W106-I115 HydrophobicContact CD2-CB 4.13Å; W106-I115 HydrophobicContact CD2-CG2 4.44Å; W106-I115 HydrophobicContact CE3-CD1 4.35Å; W106-I115 HydrophobicContact CH2-CB 4.4Å; W106-I115 HydrophobicContact CH2-CD1 3.99Å; W106-I115 HydrophobicContact CH2-CG2 3.97Å; W106-I115 HydrophobicContact CZ2-CB 3.96Å; W106-I115 HydrophobicContact CZ2-CD1 4.4Å; W106-I115 HydrophobicContact CZ2-CG2 3.38Å; W106-I115 HydrophobicContact CZ3-CD1 3.93Å; W106-G116 VanDerWaalsContact CD1-CA 3.41Å; W106-G116 VanDerWaalsContact CD1-N 3.28Å; W106-G116 VanDerWaalsContact NE1-N 3.19Å; W106-E468 HydrophobicContact CH2-CB 3.94Å; W106-E468 HydrophobicContact CH2-CG 3.69Å; W106-E468 HydrophobicContact CZ2-CB 4.31Å; W106-E468 HydrophobicContact CZ2-CG 3.59Å; W106-V471 HydrophobicContact CE3-CG1 4.36Å; W106-V471 HydrophobicContact CZ3-CB 4.06Å; W106-V471 HydrophobicContact CZ3-CG1 3.8Å; W106-I472 HydrophobicContact CH2-CG1 4.45Å; W106-I472 HydrophobicContact CZ3-CD1 4.28Å; W106-I472 HydrophobicContact CZ3-CG1 4.47Å
107	D	96.5	Very high	96.9	Very high	9 Å²	9	8.3 Å²	8.3	5%	0.048	4%	0.042	C	C	.	.	G	3₁₀ helix	trans	-61.3	-12.6	164	-70.5	-1.6	0	0	0	112.4	M98 K100 A104 A105 C109 P110 R113 P580 R581	M98-D107 HydrophobicContact CE-CB 3.87Å; K100-D107 IonicContact NZ-OD2 2.64Å; K100-D107 PolarHBondContact NZ-OD2 2.87Å; A104-D107 WeakPolarHBondContact O-CB 3.4Å; A104-D107 PolarHBondContact O-N 2.82Å; A105-D107 PolarHBondContact O-N 3.37Å; A105-D107 VanDerWaalsContact O-N 3.15Å; D107-C109 PolarHBondContact O-N 2.79Å; D107-P110 WeakPolarHBondContact O-CD 3.18Å; D107-R113 VanDerWaalsContact CG-NH2 3.3Å; D107-R113 IonicContact OD1-CZ 3.64Å; D107-R113 IonicContact OD1-NE 3.1Å; D107-R113 PolarHBondContact OD1-NE 2.81Å; D107-R113 IonicContact OD1-NH2 3.44Å; D107-R113 PolarHBondContact OD1-NH2 2.88Å; D107-R113 IonicContact OD2-NH2 3.04Å; D107-R113 PolarHBondContact OD2-NH2 3.26Å; D107-P580 CarbonylContact O-C 3.37Å; D107-P580 WeakPolarHBondContact O-CA 3.41Å; D107-R581 HydrophobicContact CB-CB 4.25Å; D107-R581 PolarHBondContact O-N 2.97Å
108	I	95.6	Very high	97	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	4%	0.042	C	C	.	.	G	3₁₀ helix	trans	-60.2	-28.9	165.6	-156.7	166.5	0	0	0	112.4	L94 F97 M98 A105 W106 I472 Y476 F481 P580	L94-I108 HydrophobicContact CD1-CB 4.27Å; L94-I108 HydrophobicContact CD1-CD1 3.72Å; L94-I108 HydrophobicContact CD1-CG2 3.89Å; F97-I108 HydrophobicContact CD1-CD1 4.32Å; F97-I108 HydrophobicContact CE1-CD1 4.44Å; M98-I108 HydrophobicContact CE-CB 4.13Å; M98-I108 HydrophobicContact CG-CB 4.46Å; M98-I108 HydrophobicContact SD-CB 3.85Å; M98-I108 HydrophobicContact SD-CD1 4.2Å; M98-I108 HydrophobicContact SD-CG1 4.13Å; A105-I108 PolarHBondContact O-N 3.4Å; W106-I108 PolarHBondContact O-N 3.26Å; W106-I108 VanDerWaalsContact O-N 3.11Å; I108-I472 HydrophobicContact CD1-CD1 4.37Å; I108-I472 HydrophobicContact CG2-CD1 4.02Å; I108-Y476 HydrophobicContact CD1-CD1 4.02Å; I108-Y476 HydrophobicContact CD1-CD2 4.32Å; I108-Y476 HydrophobicContact CD1-CE1 3.66Å; I108-Y476 HydrophobicContact CD1-CE2 3.99Å; I108-Y476 HydrophobicContact CD1-CG 4.32Å; I108-Y476 HydrophobicContact CG1-CD1 4.24Å; I108-Y476 HydrophobicContact CG1-CD2 3.63Å; I108-Y476 HydrophobicContact CG1-CE1 3.99Å; I108-Y476 HydrophobicContact CG1-CE2 3.34Å; I108-Y476 HydrophobicContact CG1-CG 4.05Å; I108-Y476 WeakPolarHBondContact O-CD2 3.41Å; I108-F481 HydrophobicContact CD1-CD2 4.45Å; I108-P580 WeakPolarHBondContact O-CA 3.03Å; I108-P580 WeakPolarHBondContact O-CB 3.36Å
109	C	97	Very high	97.1	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.041	C	C	.	.	S	Bend	trans	-153.6	81.2	173.8	-171.9	0	0	0	0	110	W106 D107 L111 F112 V471 L577	W106-C109 CarbonylContact O-C 3.59Å; W106-C109 WeakPolarHBondContact O-CA 3.46Å; W106-C109 PolarHBondContact O-N 3.33Å; W106-C109 VanDerWaalsContact O-O 3.11Å; D107-C109 PolarHBondContact O-N 2.79Å; C109-L111 PolarHBondContact O-N 2.95Å; C109-F112 PolarHBondContact O-N 2.63Å; C109-V471 HydrophobicContact CB-CG1 3.98Å; C109-L577 CarbonylContact C-O 3.35Å
110	P	97.5	Very high	97.3	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	4%	0.036	C	C	.	.	G	3₁₀ helix	trans	-50	-31.3	-170.3	-31.1	34.6	0	0	0	116.4	D107 F112 R113 L577 T579 R581	D107-P110 WeakPolarHBondContact O-CD 3.18Å; P110-F112 PolarHBondContact O-N 2.83Å; P110-F112 VanDerWaalsContact O-N 3.11Å; P110-R113 WeakPolarHBondContact O-CB 3.13Å; P110-R113 WeakPolarHBondContact O-CD 3.26Å; P110-R113 WeakPolarHBondContact O-CG 3.28Å; P110-R113 PolarHBondContact O-N 2.98Å; P110-L577 HydrophobicContact CB-CD2 4.19Å; P110-L577 WeakPolarHBondContact CD-O 3.46Å; P110-T579 VanDerWaalsContact CD-O 3.32Å; P110-T579 WeakPolarHBondContact CD-O 3.28Å; P110-R581 HydrophobicContact CG-CG 4.01Å
111	L	97.8	Very high	97.4	Very high	10 Å²	10	9.1 Å²	9.1	5%	0.052	5%	0.045	C	C	.	.	G	3₁₀ helix	trans	-54.1	-30	176.3	-170.8	61	0	0	0	113.2	C109 M559 I563 I574 L577	C109-L111 PolarHBondContact O-N 2.95Å; L111-M559 HydrophobicContact CD1-CG 3.65Å; L111-M559 HydrophobicContact CG-CG 4.03Å; L111-I563 HydrophobicContact CD1-CD1 3.98Å; L111-I563 HydrophobicContact CD1-CG1 3.78Å; L111-I574 HydrophobicContact CD1-CD1 4.25Å; L111-I574 HydrophobicContact CD2-CD1 4.05Å; L111-L577 HydrophobicContact CB-CB 3.82Å; L111-L577 HydrophobicContact CD1-CB 4.13Å; L111-L577 HydrophobicContact CD1-CD1 3.87Å; L111-L577 HydrophobicContact CG-CB 4.49Å; L111-L577 PolarHBondContact N-O 2.89Å
112	F	97.9	Very high	97.5	Very high	27 Å²	27	9.1 Å²	9.1	12%	0.118	5%	0.045	C	C	.	.	G	3₁₀ helix	trans	-108.7	18.7	-175.3	-66.4	-85.2	0	0	0	113.5	W106 C109 P110 G114 I115 V471 I475 M559	W106-F112 HydrophobicContact CE3-CB 4.33Å; C109-F112 PolarHBondContact O-N 2.63Å; P110-F112 PolarHBondContact O-N 2.83Å; P110-F112 VanDerWaalsContact O-N 3.11Å; F112-G114 PolarHBondContact O-N 2.95Å; F112-I115 HydrophobicContact CB-CD1 3.94Å; F112-I115 HydrophobicContact CB-CG1 4.32Å; F112-I115 HydrophobicContact CD1-CD1 4.27Å; F112-I115 HydrophobicContact CG-CD1 4.48Å; F112-I115 WeakPolarHBondContact O-CB 3.35Å; F112-I115 WeakPolarHBondContact O-CG1 3.45Å; F112-I115 PolarHBondContact O-N 2.94Å; F112-V471 HydrophobicContact CB-CG1 4.11Å; F112-V471 HydrophobicContact CB-CG2 3.96Å; F112-V471 HydrophobicContact CD1-CG2 3.49Å; F112-V471 VanDerWaalsContact CD1-CG2 3.49Å; F112-V471 HydrophobicContact CD2-CG1 3.87Å; F112-V471 HydrophobicContact CD2-CG2 3.77Å; F112-V471 HydrophobicContact CE1-CG2 3.85Å; F112-V471 HydrophobicContact CE2-CG2 4.13Å; F112-V471 HydrophobicContact CG-CB 4.44Å; F112-V471 HydrophobicContact CG-CG1 4.05Å; F112-V471 HydrophobicContact CG-CG2 3.44Å; F112-V471 VanDerWaalsContact CG-CG2 3.44Å; F112-V471 HydrophobicContact CZ-CG2 4.16Å; F112-I475 HydrophobicContact CD2-CD1 4.22Å; F112-I475 HydrophobicContact CE1-CD1 4.32Å; F112-I475 HydrophobicContact CE2-CD1 3.25Å; F112-I475 HydrophobicContact CE2-CG2 4.25Å; F112-I475 HydrophobicContact CZ-CD1 3.31Å; F112-M559 HydrophobicContact CD1-CE 3.88Å; F112-M559 HydrophobicContact CE1-CE 3.47Å; F112-M559 VanDerWaalsContact CE1-CE 3.47Å; F112-M559 HydrophobicContact CZ-CE 4.1Å
113	R	97.8	Very high	97.4	Very high	36 Å²	36	9.1 Å²	9.1	14%	0.136	5%	0.045	C	C	.	.	H	α-helix	trans	-51.2	-27.7	172	-82.8	168.5	167.4	-174.9	-8.9	114.2	W106 D107 P110 I115 G116 C117 I558 E562	W106-R113 HydrophobicContact CB-CB 4.34Å; W106-R113 HydrophobicContact CB-CG 3.92Å; D107-R113 VanDerWaalsContact CG-NH2 3.3Å; D107-R113 IonicContact OD1-CZ 3.64Å; D107-R113 IonicContact OD1-NE 3.1Å; D107-R113 PolarHBondContact OD1-NE 2.81Å; D107-R113 IonicContact OD1-NH2 3.44Å; D107-R113 PolarHBondContact OD1-NH2 2.88Å; D107-R113 IonicContact OD2-NH2 3.04Å; D107-R113 PolarHBondContact OD2-NH2 3.26Å; P110-R113 WeakPolarHBondContact O-CB 3.13Å; P110-R113 WeakPolarHBondContact O-CD 3.26Å; P110-R113 WeakPolarHBondContact O-CG 3.28Å; P110-R113 PolarHBondContact O-N 2.98Å; R113-I115 PolarHBondContact O-N 3.11Å; R113-G116 PolarHBondContact O-N 3.19Å; R113-G116 VanDerWaalsContact O-N 3.17Å; R113-C117 PolarHBondContact O-N 3.36Å; R113-I558 HydrophobicContact CB-CG2 3.98Å; R113-E562 IonicContact NH1-OE1 2.63Å; R113-E562 PolarHBondContact NH1-OE1 2.59Å; R113-E562 VanDerWaalsContact NH1-OE1 3.1Å
114	G	98.2	Very high	97.4	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-59.5	-22.7	175.1	0	0	0	0	0	114.5	F112 C117 A118 F554	F112-G114 PolarHBondContact O-N 2.95Å; G114-C117 PolarHBondContact O-N 2.58Å; G114-A118 WeakPolarHBondContact O-CB 3.36Å; G114-A118 PolarHBondContact O-N 3.07Å; G114-F554 WeakPolarHBondContact CA-O 3.48Å
115	I	98.5	Very high	97.3	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-62.8	-52	173.1	-63.7	179.3	0	0	0	109.8	W106 F112 R113 C117 A118 S119 V464 L467 E468 V471 I555	W106-I115 HydrophobicContact CD2-CB 4.13Å; W106-I115 HydrophobicContact CD2-CG2 4.44Å; W106-I115 HydrophobicContact CE3-CD1 4.35Å; W106-I115 HydrophobicContact CH2-CB 4.4Å; W106-I115 HydrophobicContact CH2-CD1 3.99Å; W106-I115 HydrophobicContact CH2-CG2 3.97Å; W106-I115 HydrophobicContact CZ2-CB 3.96Å; W106-I115 HydrophobicContact CZ2-CD1 4.4Å; W106-I115 HydrophobicContact CZ2-CG2 3.38Å; W106-I115 HydrophobicContact CZ3-CD1 3.93Å; F112-I115 HydrophobicContact CB-CD1 3.94Å; F112-I115 HydrophobicContact CB-CG1 4.32Å; F112-I115 HydrophobicContact CD1-CD1 4.27Å; F112-I115 HydrophobicContact CG-CD1 4.48Å; F112-I115 WeakPolarHBondContact O-CB 3.35Å; F112-I115 WeakPolarHBondContact O-CG1 3.45Å; F112-I115 PolarHBondContact O-N 2.94Å; R113-I115 PolarHBondContact O-N 3.11Å; I115-C117 VanDerWaalsContact C-N 3.28Å; I115-C117 PolarHBondContact O-N 2.85Å; I115-A118 WeakPolarHBondContact O-CB 3.49Å; I115-A118 PolarHBondContact O-N 2.87Å; I115-A118 VanDerWaalsContact O-N 3.09Å; I115-S119 PolarHBondContact O-N 3.03Å; I115-S119 PolarHBondContact O-OG 3.49Å; I115-V464 HydrophobicContact CG2-CG1 3.95Å; I115-L467 HydrophobicContact CD1-CB 3.95Å; I115-E468 HydrophobicContact CG2-CG 3.63Å; I115-V471 HydrophobicContact CD1-CG2 3.8Å; I115-I555 HydrophobicContact CG1-CD1 4.43Å; I115-I555 HydrophobicContact CG1-CG1 4.23Å
116	G	98.4	Very high	97.2	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-62.5	-33.9	177.3	0	0	0	0	0	113.4	A102 W106 R113 T120	A102-G116 WeakPolarHBondContact O-CA 3.47Å; W106-G116 VanDerWaalsContact CD1-CA 3.41Å; W106-G116 VanDerWaalsContact CD1-N 3.28Å; W106-G116 VanDerWaalsContact NE1-N 3.19Å; R113-G116 PolarHBondContact O-N 3.19Å; R113-G116 VanDerWaalsContact O-N 3.17Å; G116-T120 VanDerWaalsContact O-CB 3.31Å; G116-T120 WeakPolarHBondContact O-CB 3.5Å; G116-T120 PolarHBondContact O-N 3.25Å; G116-T120 PolarHBondContact O-OG1 2.98Å
117	C	98.2	Very high	97.1	Very high	20 Å²	20	11.3 Å²	11.3	14%	0.135	6%	0.056	C	C	.	.	H	α-helix	trans	-64.8	-44.2	172.5	-67.7	0	0	0	0	111.6	R113 G114 I115 T120 M121 F554	R113-C117 PolarHBondContact O-N 3.36Å; G114-C117 PolarHBondContact O-N 2.58Å; I115-C117 VanDerWaalsContact C-N 3.28Å; I115-C117 PolarHBondContact O-N 2.85Å; C117-T120 PolarHBondContact O-N 2.89Å; C117-M121 PolarHBondContact O-N 3.06Å; C117-F554 HydrophobicContact CB-CB 3.8Å; C117-F554 HydrophobicContact CB-CD1 3.68Å; C117-F554 HydrophobicContact CB-CE1 4.4Å; C117-F554 HydrophobicContact CB-CG 3.77Å
118	A	98.1	Very high	97	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-60.2	-50.8	175.7	0	0	0	0	0	110.9	G114 I115 T120 M121 I122 V464 S551 F554 I555	G114-A118 WeakPolarHBondContact O-CB 3.36Å; G114-A118 PolarHBondContact O-N 3.07Å; I115-A118 WeakPolarHBondContact O-CB 3.49Å; I115-A118 PolarHBondContact O-N 2.87Å; I115-A118 VanDerWaalsContact O-N 3.09Å; A118-T120 VanDerWaalsContact C-N 3.29Å; A118-T120 PolarHBondContact O-N 3.47Å; A118-M121 PolarHBondContact O-N 3.24Å; A118-M121 VanDerWaalsContact O-N 3.15Å; A118-I122 VanDerWaalsContact O-CG1 3.27Å; A118-I122 WeakPolarHBondContact O-CG1 3.25Å; A118-I122 PolarHBondContact O-N 2.93Å; A118-V464 HydrophobicContact CB-CG2 4.09Å; A118-S551 WeakPolarHBondContact CA-O 3.29Å; A118-S551 WeakPolarHBondContact CB-O 3.39Å; A118-F554 HydrophobicContact CB-CB 4.48Å; A118-I555 HydrophobicContact CB-CD1 4.16Å; A118-I555 HydrophobicContact CB-CG1 4.09Å
119	S	97.7	Very high	97	Very high	1 Å²	1	11.3 Å²	11.3	1%	0.007	6%	0.056	C	C	.	.	H	α-helix	trans	-57	-42.6	177.1	-47.1	0	0	0	0	111.8	I115 I122 N123 G299 V464	I115-S119 PolarHBondContact O-N 3.03Å; I115-S119 PolarHBondContact O-OG 3.49Å; S119-I122 PolarHBondContact O-N 3.5Å; S119-N123 WeakPolarHBondContact O-CB 3.33Å; S119-N123 PolarHBondContact O-N 2.97Å; S119-G299 WeakPolarHBondContact CA-O 3.42Å; S119-G299 WeakPolarHBondContact CB-O 3.33Å; S119-G299 PolarHBondContact OG-O 2.76Å; S119-V464 WeakPolarHBondContact OG-CG1 3.38Å
120	T	97.8	Very high	96.9	Very high	5 Å²	5	12.8 Å²	12.8	3%	0.031	6%	0.062	C	C	.	.	H	α-helix	trans	-65.9	-39.2	178.5	-57.1	0	0	0	0	112.2	I103 G116 C117 A118 F124 F404 A407 I408	I103-T120 HydrophobicContact CD1-CG2 4.33Å; I103-T120 WeakPolarHBondContact CG1-OG1 3.38Å; G116-T120 VanDerWaalsContact O-CB 3.31Å; G116-T120 WeakPolarHBondContact O-CB 3.5Å; G116-T120 PolarHBondContact O-N 3.25Å; G116-T120 PolarHBondContact O-OG1 2.98Å; C117-T120 PolarHBondContact O-N 2.89Å; A118-T120 VanDerWaalsContact C-N 3.29Å; A118-T120 PolarHBondContact O-N 3.47Å; T120-F124 PolarHBondContact O-N 3.38Å; T120-F404 HydrophobicContact CG2-CD2 3.54Å; T120-F404 HydrophobicContact CG2-CE2 3.93Å; T120-F404 HydrophobicContact CG2-CG 4.46Å; T120-A407 HydrophobicContact CG2-CB 3.9Å; T120-I408 HydrophobicContact CG2-CD1 4.45Å
121	M	96.5	Very high	96.9	Very high	59 Å²	59	12.8 Å²	12.8	29%	0.291	6%	0.062	S	C	.	.	H	α-helix	trans	-67.2	-44.5	175.7	-178.5	57.5	72.9	0	0	111.7	C117 A118 N123 F124 L125 S551 F554	C117-M121 PolarHBondContact O-N 3.06Å; A118-M121 PolarHBondContact O-N 3.24Å; A118-M121 VanDerWaalsContact O-N 3.15Å; M121-N123 VanDerWaalsContact C-N 3.33Å; M121-N123 PolarHBondContact O-N 3.17Å; M121-F124 WeakPolarHBondContact O-CB 3.46Å; M121-F124 PolarHBondContact O-N 2.91Å; M121-F124 HydrophobicContact SD-CD1 4.43Å; M121-L125 HydrophobicContact CG-CD1 4.38Å; M121-L125 WeakPolarHBondContact O-CG 3.45Å; M121-L125 PolarHBondContact O-N 3.39Å; M121-L125 HydrophobicContact SD-CG 4.44Å; M121-S551 WeakPolarHBondContact CG-OG 3.19Å; M121-F554 HydrophobicContact CB-CD2 4.4Å; M121-F554 HydrophobicContact CB-CE2 4.08Å; M121-F554 HydrophobicContact CE-CE2 3.75Å; M121-F554 HydrophobicContact CE-CZ 3.97Å; M121-F554 HydrophobicContact CG-CE2 4.16Å
122	I	96.3	Very high	96.9	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-58	-49.1	175.3	-63.4	162.9	0	0	0	109.5	A118 S119 F124 L125 V126 L300 I460 I461 V464	A118-I122 VanDerWaalsContact O-CG1 3.27Å; A118-I122 WeakPolarHBondContact O-CG1 3.25Å; A118-I122 PolarHBondContact O-N 2.93Å; S119-I122 PolarHBondContact O-N 3.5Å; I122-F124 VanDerWaalsContact C-N 3.32Å; I122-F124 PolarHBondContact O-N 2.98Å; I122-L125 PolarHBondContact O-N 2.94Å; I122-V126 HydrophobicContact CG2-CG2 4.15Å; I122-V126 WeakPolarHBondContact O-CB 3.08Å; I122-V126 VanDerWaalsContact O-CG2 3.29Å; I122-V126 WeakPolarHBondContact O-CG2 3.41Å; I122-V126 PolarHBondContact O-N 3.11Å; I122-L300 HydrophobicContact CB-CD2 4.27Å; I122-L300 HydrophobicContact CG2-CD2 3.48Å; I122-L300 VanDerWaalsContact CG2-CD2 3.48Å; I122-I460 HydrophobicContact CD1-CG2 3.73Å; I122-I460 HydrophobicContact CG1-CG2 4.29Å; I122-I461 HydrophobicContact CD1-CG1 4.49Å; I122-I461 HydrophobicContact CG2-CD1 4.26Å; I122-I461 HydrophobicContact CG2-CG1 4.04Å; I122-V464 HydrophobicContact CD1-CG2 3.9Å
123	N	96.6	Very high	96.8	Very high	2 Å²	2	12 Å²	12	1%	0.011	6%	0.058	C	C	.	.	H	α-helix	trans	-57.3	-43.4	177.8	-178.1	26.5	0	0	0	112	S119 M121 L125 V126 N127 L300 G400 F404	S119-N123 WeakPolarHBondContact O-CB 3.33Å; S119-N123 PolarHBondContact O-N 2.97Å; M121-N123 VanDerWaalsContact C-N 3.33Å; M121-N123 PolarHBondContact O-N 3.17Å; N123-L125 PolarHBondContact O-N 2.86Å; N123-V126 PolarHBondContact O-N 3.4Å; N123-N127 WeakPolarHBondContact O-CB 3.22Å; N123-N127 PolarHBondContact O-N 3.08Å; N123-N127 PolarHBondContact O-ND2 2.69Å; N123-N127 PolarHBondContact OD1-ND2 3.01Å; N123-L300 HydrophobicContact CB-CB 4.18Å; N123-L300 WeakPolarHBondContact CB-O 3.43Å; N123-G400 PolarHBondContact ND2-O 3.03Å; N123-G400 WeakPolarHBondContact OD1-CA 3.45Å; N123-G400 PolarHBondContact OD1-O 2.9Å; N123-F404 PolarHBondContact ND2-N 3.47Å
124	F	96.5	Very high	96.8	Very high	24 Å²	24	10.3 Å²	10.3	11%	0.105	5%	0.052	C	C	.	.	H	α-helix	trans	-60.9	-44.4	176.3	177.8	-101.9	0	0	0	113	T120 M121 I122 S128 F404 L432 S433 I436	T120-F124 PolarHBondContact O-N 3.38Å; M121-F124 WeakPolarHBondContact O-CB 3.46Å; M121-F124 PolarHBondContact O-N 2.91Å; M121-F124 HydrophobicContact SD-CD1 4.43Å; I122-F124 VanDerWaalsContact C-N 3.32Å; I122-F124 PolarHBondContact O-N 2.98Å; F124-S128 PolarHBondContact O-N 3.13Å; F124-S128 VanDerWaalsContact O-N 3.14Å; F124-S128 PolarHBondContact O-OG 2.82Å; F124-F404 HydrophobicContact CB-CD2 3.87Å; F124-F404 HydrophobicContact CB-CE2 3.87Å; F124-F404 HydrophobicContact CD2-CD2 4.2Å; F124-F404 AromaticContact CD2-CE2 3.86Å; F124-F404 HydrophobicContact CD2-CE2 3.86Å; F124-F404 HydrophobicContact CD2-CZ 4.04Å; F124-F404 HydrophobicContact CG-CD2 4.43Å; F124-F404 HydrophobicContact CG-CE2 4.08Å; F124-L432 HydrophobicContact CE2-CD2 4.26Å; F124-L432 HydrophobicContact CZ-CD2 3.76Å; F124-L432 HydrophobicContact CZ-CG 4.02Å; F124-S433 WeakPolarHBondContact CE2-OG 3.43Å; F124-I436 HydrophobicContact CE1-CD1 3.61Å; F124-I436 HydrophobicContact CZ-CD1 3.65Å
125	L	95.3	Very high	96.8	Very high	18 Å²	18	10.3 Å²	10.3	9%	0.094	5%	0.052	C	C	.	.	H	α-helix	trans	-64.8	-44.4	176.6	-67.5	172.2	0	0	0	111.5	M121 I122 N123 S128 Y129 F452 M547	M121-L125 HydrophobicContact CG-CD1 4.38Å; M121-L125 WeakPolarHBondContact O-CG 3.45Å; M121-L125 PolarHBondContact O-N 3.39Å; M121-L125 HydrophobicContact SD-CG 4.44Å; I122-L125 PolarHBondContact O-N 2.94Å; N123-L125 PolarHBondContact O-N 2.86Å; L125-S128 WeakPolarHBondContact O-CB 3.3Å; L125-S128 PolarHBondContact O-N 3.25Å; L125-Y129 WeakPolarHBondContact O-CD1 3.41Å; L125-Y129 PolarHBondContact O-N 3.44Å; L125-F452 HydrophobicContact CD2-CE1 3.95Å; L125-M547 HydrophobicContact CD1-CG 3.82Å; L125-M547 HydrophobicContact CD1-SD 4.49Å; L125-M547 HydrophobicContact CD2-CG 4.47Å; L125-M547 HydrophobicContact CD2-SD 4.38Å
126	V	94.7	Very high	96.8	Very high	17 Å²	17	10.3 Å²	10.3	10%	0.103	5%	0.052	C	C	.	.	H	α-helix	trans	-60.5	-48.6	178.1	172.1	0	0	0	0	111	I122 N123 S128 Y129 Y130	I122-V126 HydrophobicContact CG2-CG2 4.15Å; I122-V126 WeakPolarHBondContact O-CB 3.08Å; I122-V126 VanDerWaalsContact O-CG2 3.29Å; I122-V126 WeakPolarHBondContact O-CG2 3.41Å; I122-V126 PolarHBondContact O-N 3.11Å; N123-V126 PolarHBondContact O-N 3.4Å; V126-S128 PolarHBondContact O-N 3.15Å; V126-Y129 HydrophobicContact CB-CE1 4.11Å; V126-Y129 HydrophobicContact CG1-CE1 4.19Å; V126-Y129 HydrophobicContact CG2-CE1 4.03Å; V126-Y129 WeakPolarHBondContact O-CD1 3.45Å; V126-Y129 PolarHBondContact O-N 3.03Å; V126-Y130 WeakPolarHBondContact O-CB 3.47Å; V126-Y130 PolarHBondContact O-N 2.67Å
127	N	96.3	Very high	96.8	Very high	9 Å²	9	10.3 Å²	10.3	5%	0.048	5%	0.052	C	C	.	.	H	α-helix	trans	-57.2	-38.7	176.9	-72.4	-31.6	0	0	0	112.2	N123 T131 M397 G400	N123-N127 WeakPolarHBondContact O-CB 3.22Å; N123-N127 PolarHBondContact O-N 3.08Å; N123-N127 PolarHBondContact O-ND2 2.69Å; N123-N127 PolarHBondContact OD1-ND2 3.01Å; N127-T131 PolarHBondContact O-N 3.38Å; N127-T131 PolarHBondContact O-OG1 3.5Å; N127-M397 HydrophobicContact CB-CE 3.66Å; N127-M397 HydrophobicContact CB-SD 4.39Å; N127-M397 WeakPolarHBondContact O-CE 3.39Å; N127-G400 PolarHBondContact ND2-O 2.8Å
128	S	95	Very high	96.8	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-63.8	-44	-177.8	-61.6	0	0	0	0	112.5	F124 L125 V126	F124-S128 PolarHBondContact O-N 3.13Å; F124-S128 VanDerWaalsContact O-N 3.14Å; F124-S128 PolarHBondContact O-OG 2.82Å; L125-S128 WeakPolarHBondContact O-CB 3.3Å; L125-S128 PolarHBondContact O-N 3.25Å; V126-S128 PolarHBondContact O-N 3.15Å
129	Y	95.1	Very high	96.9	Very high	9 Å²	9	10.6 Å²	10.6	4%	0.035	5%	0.051	C	C	.	.	H	α-helix	trans	-86.5	-34.2	179.9	85.9	-99.4	0	0	0	113	L125 V126 T131 V132 M440 F449 F452 D453 S456	L125-Y129 WeakPolarHBondContact O-CD1 3.41Å; L125-Y129 PolarHBondContact O-N 3.44Å; V126-Y129 HydrophobicContact CB-CE1 4.11Å; V126-Y129 HydrophobicContact CG1-CE1 4.19Å; V126-Y129 HydrophobicContact CG2-CE1 4.03Å; V126-Y129 WeakPolarHBondContact O-CD1 3.45Å; V126-Y129 PolarHBondContact O-N 3.03Å; Y129-T131 VanDerWaalsContact C-N 3.27Å; Y129-T131 PolarHBondContact O-N 2.63Å; Y129-V132 WeakPolarHBondContact O-CB 3.31Å; Y129-V132 WeakPolarHBondContact O-CG2 3.19Å; Y129-V132 PolarHBondContact O-N 3.1Å; Y129-M440 WeakPolarHBondContact CB-SD 3.22Å; Y129-F449 HydrophobicContact CD2-CD2 4.21Å; Y129-F449 AromaticContact CD2-CE2 3.64Å; Y129-F449 HydrophobicContact CD2-CE2 3.64Å; Y129-F449 HydrophobicContact CD2-CZ 4Å; Y129-F449 HydrophobicContact CE2-CE2 4.43Å; Y129-F449 HydrophobicContact CE2-CZ 4.37Å; Y129-F449 WeakPolarHBondContact O-CE2 3.22Å; Y129-F452 HydrophobicContact CD1-CB 4.07Å; Y129-F452 HydrophobicContact CG-CB 4.03Å; Y129-D453 HydrophobicContact CD2-CB 4.23Å; Y129-D453 HydrophobicContact CE2-CB 3.75Å; Y129-D453 WeakPolarHBondContact CE2-OD1 3.29Å; Y129-D453 VanDerWaalsContact CZ-OD1 3.29Å; Y129-D453 PolarHBondContact OH-OD1 3.37Å; Y129-S456 WeakPolarHBondContact CE1-OG 3.43Å
130	Y	95.5	Very high	96.9	Very high	32 Å²	32	10.6 Å²	10.6	13%	0.125	5%	0.051	C	C	.	.	H	α-helix	trans	-62.8	-34.5	-177.9	-168.7	-90.1	0	0	0	112	L54 V126 V132 I133 S396 M397	L54-Y130 HydrophobicContact CB-CE2 4.27Å; L54-Y130 HydrophobicContact CD1-CE1 4.2Å; L54-Y130 HydrophobicContact CD1-CE2 4.09Å; L54-Y130 HydrophobicContact CG-CE2 4.37Å; L54-Y130 WeakPolarHBondContact CG-OH 3.25Å; L54-Y130 PolarHBondContact N-OH 2.86Å; V126-Y130 WeakPolarHBondContact O-CB 3.47Å; V126-Y130 PolarHBondContact O-N 2.67Å; Y130-V132 PolarHBondContact O-N 3.28Å; Y130-I133 HydrophobicContact CD2-CD1 4.24Å; Y130-I133 VanDerWaalsContact O-CB 3.3Å; Y130-I133 WeakPolarHBondContact O-CB 3.17Å; Y130-I133 PolarHBondContact O-N 3.39Å; Y130-I133 VanDerWaalsContact O-N 3.1Å; Y130-S396 PolarHBondContact OH-OG 3.08Å; Y130-M397 HydrophobicContact CD1-CG 4.21Å; Y130-M397 HydrophobicContact CD1-SD 3.77Å; Y130-M397 HydrophobicContact CG-SD 4.46Å
131	T	97.2	Very high	96.9	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-65.5	-22.8	175.3	-44.2	0	0	0	0	113	N127 Y129 I133 L134 G135 L218 A221 W222 I225 M397	N127-T131 PolarHBondContact O-N 3.38Å; N127-T131 PolarHBondContact O-OG1 3.5Å; Y129-T131 VanDerWaalsContact C-N 3.27Å; Y129-T131 PolarHBondContact O-N 2.63Å; T131-I133 PolarHBondContact O-N 2.82Å; T131-L134 HydrophobicContact CG2-CD1 4.26Å; T131-L134 WeakPolarHBondContact O-CB 3.32Å; T131-L134 PolarHBondContact O-N 3.49Å; T131-L134 VanDerWaalsContact O-N 3.15Å; T131-G135 PolarHBondContact O-N 3.39Å; T131-L218 HydrophobicContact CG2-CD1 3.8Å; T131-L218 WeakPolarHBondContact O-CD1 3.24Å; T131-A221 HydrophobicContact CG2-CB 3.8Å; T131-W222 HydrophobicContact CG2-CD2 4.16Å; T131-W222 HydrophobicContact CG2-CG 4.3Å; T131-W222 HydrophobicContact CG2-CZ2 4.09Å; T131-W222 WeakPolarHBondContact OG1-CZ2 3.26Å; T131-I225 HydrophobicContact CG2-CD1 3.91Å; T131-M397 WeakPolarHBondContact OG1-CE 3.32Å; T131-M397 PolarHBondContact OG1-SD 3.24Å
132	V	97.9	Very high	96.9	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-64.2	-35.5	174.7	-177.2	0	0	0	0	110.5	Y129 Y130 L134 G135 W136 M440 V441 F449	Y129-V132 WeakPolarHBondContact O-CB 3.31Å; Y129-V132 WeakPolarHBondContact O-CG2 3.19Å; Y129-V132 PolarHBondContact O-N 3.1Å; Y130-V132 PolarHBondContact O-N 3.28Å; V132-L134 VanDerWaalsContact C-N 3.3Å; V132-L134 PolarHBondContact O-N 3.49Å; V132-G135 WeakPolarHBondContact O-CA 3.44Å; V132-G135 PolarHBondContact O-N 2.9Å; V132-W136 HydrophobicContact CG1-CD2 4.37Å; V132-W136 HydrophobicContact CG1-CH2 4.28Å; V132-W136 HydrophobicContact CG1-CZ2 3.65Å; V132-W136 PolarHBondContact O-N 3.04Å; V132-M440 HydrophobicContact CB-CB 4.49Å; V132-M440 HydrophobicContact CG1-CB 4.1Å; V132-M440 HydrophobicContact CG2-CB 3.76Å; V132-M440 HydrophobicContact CG2-CG 4.42Å; V132-M440 HydrophobicContact CG2-SD 3.88Å; V132-V441 HydrophobicContact CG1-CG1 3.9Å; V132-F449 HydrophobicContact CB-CD2 4.13Å; V132-F449 HydrophobicContact CB-CE2 4.35Å; V132-F449 HydrophobicContact CG1-CD2 4.23Å
133	I	96.2	Very high	97	Very high	20 Å²	20	14 Å²	14	10%	0.103	7%	0.068	C	C	.	.	H	α-helix	trans	-63	-39.2	174.6	-50.4	175.7	0	0	0	111.1	L54 W58 Y130 T131 G135 W136 A137 F365 F449	L54-I133 HydrophobicContact CD1-CB 4.13Å; L54-I133 HydrophobicContact CD1-CD1 4.25Å; L54-I133 HydrophobicContact CD1-CG2 3.57Å; W58-I133 HydrophobicContact CH2-CG2 4.1Å; W58-I133 HydrophobicContact CZ3-CG2 3.8Å; Y130-I133 HydrophobicContact CD2-CD1 4.24Å; Y130-I133 VanDerWaalsContact O-CB 3.3Å; Y130-I133 WeakPolarHBondContact O-CB 3.17Å; Y130-I133 PolarHBondContact O-N 3.39Å; Y130-I133 VanDerWaalsContact O-N 3.1Å; T131-I133 PolarHBondContact O-N 2.82Å; I133-G135 VanDerWaalsContact C-N 3.32Å; I133-W136 HydrophobicContact CB-CE3 4.3Å; I133-W136 HydrophobicContact CG1-CE3 4.25Å; I133-W136 HydrophobicContact CG1-CZ3 4.07Å; I133-W136 HydrophobicContact CG2-CE3 4.35Å; I133-W136 PolarHBondContact O-N 3.28Å; I133-A137 PolarHBondContact O-N 2.64Å; I133-F365 HydrophobicContact CG2-CE2 3.82Å; I133-F365 HydrophobicContact CG2-CZ 3.85Å; I133-F449 HydrophobicContact CD1-CE2 4.15Å; I133-F449 HydrophobicContact CD1-CZ 3.81Å; I133-F449 HydrophobicContact CG1-CE2 3.61Å; I133-F449 HydrophobicContact CG1-CZ 3.63Å
134	L	97.6	Very high	97	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-62.5	-40.7	171.8	-70.9	174.5	0	0	0	111.5	T131 V132 W136 A137 F138 A221 I225 I390 I394 M397	T131-L134 HydrophobicContact CG2-CD1 4.26Å; T131-L134 WeakPolarHBondContact O-CB 3.32Å; T131-L134 PolarHBondContact O-N 3.49Å; T131-L134 VanDerWaalsContact O-N 3.15Å; V132-L134 VanDerWaalsContact C-N 3.3Å; V132-L134 PolarHBondContact O-N 3.49Å; L134-W136 VanDerWaalsContact C-N 3.33Å; L134-W136 PolarHBondContact O-N 3.4Å; L134-A137 PolarHBondContact O-N 2.69Å; L134-A137 VanDerWaalsContact O-N 3.16Å; L134-F138 WeakPolarHBondContact O-CD2 3.26Å; L134-F138 PolarHBondContact O-N 3.49Å; L134-A221 HydrophobicContact CB-CB 4.05Å; L134-A221 HydrophobicContact CD1-CB 4.5Å; L134-I225 HydrophobicContact CD1-CD1 4.3Å; L134-I390 HydrophobicContact CD2-CB 4.41Å; L134-I390 HydrophobicContact CD2-CG1 4.41Å; L134-I390 HydrophobicContact CD2-CG2 4.45Å; L134-I390 WeakPolarHBondContact CD2-O 3.17Å; L134-I394 HydrophobicContact CD1-CG1 3.77Å; L134-I394 HydrophobicContact CD2-CG1 4.08Å; L134-M397 HydrophobicContact CD1-CG 3.86Å
135	G	98.5	Very high	97	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-56.5	-45.5	174	0	0	0	0	0	112.4	T131 V132 I133 H139 C217	T131-G135 PolarHBondContact O-N 3.39Å; V132-G135 WeakPolarHBondContact O-CA 3.44Å; V132-G135 PolarHBondContact O-N 2.9Å; I133-G135 VanDerWaalsContact C-N 3.32Å; G135-H139 PolarHBondContact O-N 2.65Å; G135-H139 VanDerWaalsContact O-N 3.17Å; G135-C217 VanDerWaalsContact O-CB 3.25Å; G135-C217 WeakPolarHBondContact O-CB 3.3Å
136	W	98.2	Very high	96.9	Very high	1 Å²	1	21.1 Å²	21.1	0%	0.004	10%	0.104	C	C	.	.	H	α-helix	trans	-63.8	-43.4	173.2	-58.2	-33.2	0	0	0	112.1	V132 I133 L134 F138 H139 F140 W193 L198 P361 F365 M446 F449	V132-W136 HydrophobicContact CG1-CD2 4.37Å; V132-W136 HydrophobicContact CG1-CH2 4.28Å; V132-W136 HydrophobicContact CG1-CZ2 3.65Å; V132-W136 PolarHBondContact O-N 3.04Å; I133-W136 HydrophobicContact CB-CE3 4.3Å; I133-W136 HydrophobicContact CG1-CE3 4.25Å; I133-W136 HydrophobicContact CG1-CZ3 4.07Å; I133-W136 HydrophobicContact CG2-CE3 4.35Å; I133-W136 PolarHBondContact O-N 3.28Å; L134-W136 VanDerWaalsContact C-N 3.33Å; L134-W136 PolarHBondContact O-N 3.4Å; W136-F138 PolarHBondContact O-N 3.38Å; W136-H139 VanDerWaalsContact O-CB 3.3Å; W136-H139 WeakPolarHBondContact O-CB 3.27Å; W136-H139 PolarHBondContact O-N 2.84Å; W136-F140 WeakPolarHBondContact O-CD2 3.39Å; W136-F140 PolarHBondContact O-N 2.93Å; W136-F140 VanDerWaalsContact O-N 3.11Å; W136-W193 HydrophobicContact CB-CH2 4.06Å; W136-W193 HydrophobicContact CB-CZ3 4.07Å; W136-W193 AromaticContact CD2-CH2 3.53Å; W136-W193 HydrophobicContact CD2-CH2 3.53Å; W136-W193 HydrophobicContact CD2-CZ2 4.39Å; W136-W193 HydrophobicContact CD2-CZ3 4.33Å; W136-W193 AromaticContact CE3-CH2 3.71Å; W136-W193 HydrophobicContact CE3-CH2 3.71Å; W136-W193 HydrophobicContact CE3-CZ2 4.35Å; W136-W193 AromaticContact CG-CH2 3.69Å; W136-W193 HydrophobicContact CG-CH2 3.69Å; W136-W193 HydrophobicContact CG-CZ3 4.01Å; W136-W193 HydrophobicContact CZ3-CH2 4.32Å; W136-L198 HydrophobicContact CZ2-CD2 4.31Å; W136-P361 HydrophobicContact CZ3-CB 4.11Å; W136-P361 HydrophobicContact CZ3-CG 4.13Å; W136-F365 HydrophobicContact CB-CD1 4.17Å; W136-F365 HydrophobicContact CB-CE1 3.63Å; W136-F365 HydrophobicContact CB-CE2 4.31Å; W136-F365 HydrophobicContact CB-CZ 3.71Å; W136-F365 HydrophobicContact CE3-CD2 4.3Å; W136-F365 AromaticContact CE3-CE2 3.9Å; W136-F365 HydrophobicContact CE3-CE2 3.9Å; W136-F365 HydrophobicContact CE3-CZ 4.35Å; W136-M446 HydrophobicContact CH2-CE 3.79Å; W136-M446 HydrophobicContact CH2-SD 4.18Å; W136-M446 HydrophobicContact CZ2-CE 4.08Å; W136-M446 HydrophobicContact CZ3-CE 4.39Å; W136-F449 HydrophobicContact CH2-CB 4.34Å; W136-F449 AromaticContact CH2-CD1 3.68Å; W136-F449 HydrophobicContact CH2-CD1 3.68Å; W136-F449 AromaticContact CH2-CD2 3.59Å; W136-F449 HydrophobicContact CH2-CD2 3.59Å; W136-F449 AromaticContact CH2-CE1 3.82Å; W136-F449 HydrophobicContact CH2-CE1 3.82Å; W136-F449 AromaticContact CH2-CE2 3.69Å; W136-F449 HydrophobicContact CH2-CE2 3.69Å; W136-F449 AromaticContact CH2-CG 3.58Å; W136-F449 HydrophobicContact CH2-CG 3.58Å; W136-F449 AromaticContact CH2-CZ 3.82Å; W136-F449 HydrophobicContact CH2-CZ 3.82Å; W136-F449 HydrophobicContact CZ2-CD2 4.25Å; W136-F449 HydrophobicContact CZ2-CG 4.28Å; W136-F449 HydrophobicContact CZ3-CD1 4.35Å; W136-F449 HydrophobicContact CZ3-CD2 4.24Å; W136-F449 HydrophobicContact CZ3-CE1 4.01Å; W136-F449 AromaticContact CZ3-CE2 3.86Å; W136-F449 HydrophobicContact CZ3-CE2 3.86Å; W136-F449 HydrophobicContact CZ3-CG 4.47Å; W136-F449 AromaticContact CZ3-CZ 3.75Å; W136-F449 HydrophobicContact CZ3-CZ 3.75Å
137	A	98.2	Very high	96.6	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-63.5	-40.9	178.8	0	0	0	0	0	112.7	I133 L134 H139 F140 I141 F365 F386 I389 I390	I133-A137 PolarHBondContact O-N 2.64Å; L134-A137 PolarHBondContact O-N 2.69Å; L134-A137 VanDerWaalsContact O-N 3.16Å; A137-H139 VanDerWaalsContact C-N 3.31Å; A137-H139 PolarHBondContact O-N 2.72Å; A137-F140 PolarHBondContact O-N 3.1Å; A137-I141 WeakPolarHBondContact O-CG1 3.21Å; A137-I141 PolarHBondContact O-N 2.77Å; A137-F365 HydrophobicContact CB-CE1 4.29Å; A137-F365 HydrophobicContact CB-CZ 4.38Å; A137-F386 HydrophobicContact CB-CD1 4.38Å; A137-I389 HydrophobicContact CB-CB 4.5Å; A137-I389 HydrophobicContact CB-CG2 3.64Å; A137-I390 HydrophobicContact CB-CD1 4.09Å; A137-I390 HydrophobicContact CB-CG1 3.52Å
138	F	98.7	Very high	96.5	Very high	16 Å²	16	34.4 Å²	34.4	7%	0.07	16%	0.161	C	C	.	.	H	α-helix	trans	-58.9	-43.3	173	-86.2	-63.7	0	0	0	111.8	L134 W136 F140 I141 F142 C217 L220 A221 I224 I390 I394	L134-F138 WeakPolarHBondContact O-CD2 3.26Å; L134-F138 PolarHBondContact O-N 3.49Å; W136-F138 PolarHBondContact O-N 3.38Å; F138-F140 VanDerWaalsContact C-N 3.33Å; F138-F140 PolarHBondContact O-N 3.14Å; F138-I141 PolarHBondContact O-N 3.46Å; F138-F142 HydrophobicContact CB-CE2 4.15Å; F138-F142 HydrophobicContact CD1-CE2 4.44Å; F138-F142 HydrophobicContact CD1-CZ 4.31Å; F138-F142 WeakPolarHBondContact O-CD2 3.24Å; F138-F142 WeakPolarHBondContact O-CG 3.28Å; F138-F142 PolarHBondContact O-N 3.36Å; F138-C217 HydrophobicContact CB-CB 3.87Å; F138-L220 HydrophobicContact CD1-CD2 3.74Å; F138-L220 HydrophobicContact CE1-CD2 3.86Å; F138-L220 HydrophobicContact CE1-CG 4.34Å; F138-L220 HydrophobicContact CG-CD2 4.2Å; F138-L220 HydrophobicContact CZ-CD2 4.39Å; F138-L220 HydrophobicContact CZ-CG 4.41Å; F138-A221 HydrophobicContact CD2-CB 4.08Å; F138-A221 HydrophobicContact CE2-CB 3.74Å; F138-I224 HydrophobicContact CE1-CD1 4.24Å; F138-I224 HydrophobicContact CE2-CD1 4.45Å; F138-I224 HydrophobicContact CZ-CD1 3.62Å; F138-I390 HydrophobicContact CB-CD1 4.19Å; F138-I390 HydrophobicContact CD1-CD1 3.41Å; F138-I390 VanDerWaalsContact CD1-CD1 3.41Å; F138-I390 HydrophobicContact CD2-CD1 4Å; F138-I390 HydrophobicContact CE1-CD1 3.58Å; F138-I390 HydrophobicContact CE1-CG2 4.06Å; F138-I390 HydrophobicContact CE2-CD1 4.14Å; F138-I390 HydrophobicContact CE2-CG2 4.09Å; F138-I390 HydrophobicContact CG-CD1 3.61Å; F138-I390 HydrophobicContact CZ-CD1 3.94Å; F138-I390 HydrophobicContact CZ-CG2 3.62Å; F138-I394 HydrophobicContact CE2-CD1 4.47Å; F138-I394 HydrophobicContact CZ-CD1 4.14Å
139	H	98.3	Very high	96.5	Very high	10 Å²	10	34.4 Å²	34.4	5%	0.046	16%	0.161	C	C	.	.	H	α-helix	trans	-56.9	-47.1	176.9	-171	-78.9	0	0	0	112.1	G135 W136 A137 F142 A143 Y192 R196 D213 L214	G135-H139 PolarHBondContact O-N 2.65Å; G135-H139 VanDerWaalsContact O-N 3.17Å; W136-H139 VanDerWaalsContact O-CB 3.3Å; W136-H139 WeakPolarHBondContact O-CB 3.27Å; W136-H139 PolarHBondContact O-N 2.84Å; A137-H139 VanDerWaalsContact C-N 3.31Å; A137-H139 PolarHBondContact O-N 2.72Å; H139-F142 PolarHBondContact O-N 3.14Å; H139-A143 WeakPolarHBondContact O-CB 3.45Å; H139-A143 PolarHBondContact O-N 3.47Å; H139-Y192 PolarHBondContact CE1-OH 3.36Å; H139-Y192 VanDerWaalsContact CE1-OH 3.28Å; H139-Y192 PolarHBondContact ND1-OH 3.46Å; H139-R196 PolarHBondContact NE2-NH1 2.92Å; H139-R196 PolarHBondContact NE2-NH2 3.5Å; H139-D213 IonicContact CD2-OD2 3.77Å; H139-D213 PolarHBondContact CD2-OD2 3.15Å; H139-D213 IonicContact NE2-OD2 3.7Å; H139-D213 PolarHBondContact NE2-OD2 2.97Å; H139-L214 HydrophobicContact CB-CD2 3.98Å
140	F	98.4	Very high	96.6	Very high	1 Å²	1	34.8 Å²	34.8	0%	0.004	17%	0.165	C	C	.	.	H	α-helix	trans	-69.1	-33.6	176.9	-84.9	-103.9	0	0	0	113.4	W136 A137 F138 A143 S144 W151 Y192 W193 V197 F365 P369 F386	W136-F140 WeakPolarHBondContact O-CD2 3.39Å; W136-F140 PolarHBondContact O-N 2.93Å; W136-F140 VanDerWaalsContact O-N 3.11Å; A137-F140 PolarHBondContact O-N 3.1Å; F138-F140 VanDerWaalsContact C-N 3.33Å; F138-F140 PolarHBondContact O-N 3.14Å; F140-A143 PolarHBondContact O-N 2.79Å; F140-S144 WeakPolarHBondContact O-CB 3.17Å; F140-S144 PolarHBondContact O-N 2.94Å; F140-S144 PolarHBondContact O-OG 2.79Å; F140-W151 HydrophobicContact CB-CH2 4.4Å; F140-W151 HydrophobicContact CD1-CD2 4.34Å; F140-W151 AromaticContact CD1-CE3 3.84Å; F140-W151 HydrophobicContact CD1-CE3 3.84Å; F140-W151 AromaticContact CD1-CH2 3.5Å; F140-W151 HydrophobicContact CD1-CH2 3.5Å; F140-W151 HydrophobicContact CD1-CZ2 4.02Å; F140-W151 AromaticContact CD1-CZ3 3.38Å; F140-W151 HydrophobicContact CD1-CZ3 3.38Å; F140-W151 HydrophobicContact CE1-CD2 4.13Å; F140-W151 AromaticContact CE1-CE3 3.79Å; F140-W151 HydrophobicContact CE1-CE3 3.79Å; F140-W151 HydrophobicContact CE1-CH2 4.24Å; F140-W151 AromaticContact CE1-CZ3 3.84Å; F140-W151 HydrophobicContact CE1-CZ3 3.84Å; F140-W151 HydrophobicContact CG-CH2 4.32Å; F140-W151 HydrophobicContact CG-CZ3 4.17Å; F140-Y192 HydrophobicContact CD1-CE1 4.28Å; F140-Y192 HydrophobicContact CD2-CE1 4.5Å; F140-Y192 HydrophobicContact CE1-CD1 4.01Å; F140-Y192 AromaticContact CE1-CE1 3.78Å; F140-Y192 HydrophobicContact CE1-CE1 3.78Å; F140-Y192 HydrophobicContact CE2-CE1 4.01Å; F140-Y192 AromaticContact CZ-CD1 3.8Å; F140-Y192 HydrophobicContact CZ-CD1 3.8Å; F140-Y192 AromaticContact CZ-CE1 3.65Å; F140-Y192 HydrophobicContact CZ-CE1 3.65Å; F140-W193 AromaticContact CE2-CE3 3.68Å; F140-W193 HydrophobicContact CE2-CE3 3.68Å; F140-W193 AromaticContact CE2-CZ3 3.74Å; F140-W193 HydrophobicContact CE2-CZ3 3.74Å; F140-W193 AromaticContact CZ-CE3 3.93Å; F140-W193 HydrophobicContact CZ-CE3 3.93Å; F140-W193 HydrophobicContact CZ-CZ3 4.37Å; F140-V197 HydrophobicContact CE2-CG1 4.42Å; F140-V197 HydrophobicContact CE2-CG2 3.96Å; F140-V197 HydrophobicContact CZ-CG2 4.37Å; F140-F365 AromaticContact CD2-CD1 3.74Å; F140-F365 HydrophobicContact CD2-CD1 3.74Å; F140-F365 HydrophobicContact CD2-CE1 4.25Å; F140-F365 HydrophobicContact CE2-CB 4.21Å; F140-F365 AromaticContact CE2-CD1 3.65Å; F140-F365 HydrophobicContact CE2-CD1 3.65Å; F140-F365 HydrophobicContact CE2-CG 4.37Å; F140-F365 HydrophobicContact CG-CD1 4.32Å; F140-F365 HydrophobicContact CZ-CB 4.09Å; F140-F365 HydrophobicContact CZ-CD1 4.16Å; F140-F365 VanDerWaalsContact CZ-O 3.24Å; F140-F365 WeakPolarHBondContact CZ-O 3.22Å; F140-P369 HydrophobicContact CD1-CB 4.48Å; F140-P369 HydrophobicContact CD1-CG 4.3Å; F140-P369 HydrophobicContact CE1-CB 4.01Å; F140-P369 HydrophobicContact CE1-CG 3.87Å; F140-F386 HydrophobicContact CB-CD1 3.67Å; F140-F386 HydrophobicContact CB-CD2 3.65Å; F140-F386 HydrophobicContact CB-CE1 3.53Å; F140-F386 HydrophobicContact CB-CE2 3.52Å; F140-F386 HydrophobicContact CB-CG 3.72Å; F140-F386 HydrophobicContact CB-CZ 3.42Å; F140-F386 VanDerWaalsContact CB-CZ 3.42Å; F140-F386 HydrophobicContact CD1-CD2 4.4Å; F140-F386 AromaticContact CD1-CE1 3.92Å; F140-F386 HydrophobicContact CD1-CE1 3.92Å; F140-F386 AromaticContact CD1-CE2 3.43Å; F140-F386 HydrophobicContact CD1-CE2 3.43Å; F140-F386 VanDerWaalsContact CD1-CE2 3.43Å; F140-F386 AromaticContact CD1-CZ 3.11Å; F140-F386 HydrophobicContact CD1-CZ 3.11Å; F140-F386 HydrophobicContact CD2-CE1 4.39Å; F140-F386 HydrophobicContact CD2-CZ 4.34Å; F140-F386 HydrophobicContact CE1-CE2 4.42Å; F140-F386 AromaticContact CE1-CZ 3.88Å; F140-F386 HydrophobicContact CE1-CZ 3.88Å; F140-F386 HydrophobicContact CG-CD1 4.35Å; F140-F386 HydrophobicContact CG-CD2 4.44Å; F140-F386 AromaticContact CG-CE1 3.7Å; F140-F386 HydrophobicContact CG-CE1 3.7Å; F140-F386 AromaticContact CG-CE2 3.81Å; F140-F386 HydrophobicContact CG-CE2 3.81Å; F140-F386 AromaticContact CG-CZ 3.37Å; F140-F386 HydrophobicContact CG-CZ 3.37Å
141	I	97.6	Very high	96.5	Very high	10 Å²	10	33.3 Å²	33.3	5%	0.051	16%	0.159	C	C	.	.	H	α-helix	trans	-59.3	-50	170.4	-73.5	-165.9	0	0	0	110.3	A137 F138 A143 S144 F145 F383 F386 I387 I390	A137-I141 WeakPolarHBondContact O-CG1 3.21Å; A137-I141 PolarHBondContact O-N 2.77Å; F138-I141 PolarHBondContact O-N 3.46Å; I141-A143 VanDerWaalsContact C-N 3.29Å; I141-A143 PolarHBondContact O-N 3.49Å; I141-S144 VanDerWaalsContact O-CB 3.31Å; I141-S144 WeakPolarHBondContact O-CB 3.32Å; I141-S144 PolarHBondContact O-N 2.84Å; I141-F145 HydrophobicContact CG2-CE2 3.76Å; I141-F145 VanDerWaalsContact O-CD2 3.28Å; I141-F145 WeakPolarHBondContact O-CD2 3.46Å; I141-F383 HydrophobicContact CG2-CD2 4.27Å; I141-F383 HydrophobicContact CG2-CE2 4.18Å; I141-F386 HydrophobicContact CD1-CB 4.22Å; I141-F386 HydrophobicContact CG1-CB 3.4Å; I141-F386 VanDerWaalsContact CG1-CB 3.4Å; I141-I387 HydrophobicContact CD1-CB 3.95Å; I141-I387 HydrophobicContact CD1-CD1 3.82Å; I141-I387 HydrophobicContact CD1-CG1 4.5Å; I141-I390 HydrophobicContact CD1-CD1 3.2Å; I141-I390 HydrophobicContact CD1-CG1 4.06Å; I141-I390 HydrophobicContact CG1-CD1 3.84Å
142	F	97.8	Very high	96.2	Very high	106 Å²	106	34.7 Å²	34.7	47%	0.465	17%	0.17	S	C	.	.	H	α-helix	trans	-62.3	-40	-178.9	-63.9	-45.3	0	0	0	111.8	F138 H139 S144 F145 L220	F138-F142 HydrophobicContact CB-CE2 4.15Å; F138-F142 HydrophobicContact CD1-CE2 4.44Å; F138-F142 HydrophobicContact CD1-CZ 4.31Å; F138-F142 WeakPolarHBondContact O-CD2 3.24Å; F138-F142 WeakPolarHBondContact O-CG 3.28Å; F138-F142 PolarHBondContact O-N 3.36Å; H139-F142 PolarHBondContact O-N 3.14Å; F142-S144 PolarHBondContact O-N 3.16Å; F142-F145 PolarHBondContact O-N 2.73Å; F142-L220 HydrophobicContact CE2-CD2 4.1Å; F142-L220 HydrophobicContact CZ-CD2 3.66Å
143	A	97.1	Very high	95.9	Very high	19 Å²	19	39.3 Å²	39.3	16%	0.157	19%	0.19	C	C	.	.	H	α-helix	trans	-66.3	-24.3	173.9	0	0	0	0	0	113.8	H139 F140 I141 F145 S146 P150 W151 Y192	H139-A143 WeakPolarHBondContact O-CB 3.45Å; H139-A143 PolarHBondContact O-N 3.47Å; F140-A143 PolarHBondContact O-N 2.79Å; I141-A143 VanDerWaalsContact C-N 3.29Å; I141-A143 PolarHBondContact O-N 3.49Å; A143-F145 VanDerWaalsContact C-N 3.26Å; A143-F145 PolarHBondContact O-N 2.73Å; A143-S146 WeakPolarHBondContact O-CB 3.41Å; A143-S146 PolarHBondContact O-OG 2.97Å; A143-P150 HydrophobicContact CB-CG 3.88Å; A143-W151 HydrophobicContact CB-CH2 4.24Å; A143-W151 HydrophobicContact CB-CZ3 3.64Å; A143-Y192 WeakPolarHBondContact CB-OH 3.4Å
144	S	97.4	Very high	95.6	Very high	5 Å²	5	39.8 Å²	39.8	4%	0.035	20%	0.195	C	C	.	.	H	α-helix	trans	-72.5	-16.5	176.4	-58.7	0	0	0	0	113.1	F140 I141 F142 S146 S382	F140-S144 WeakPolarHBondContact O-CB 3.17Å; F140-S144 PolarHBondContact O-N 2.94Å; F140-S144 PolarHBondContact O-OG 2.79Å; I141-S144 VanDerWaalsContact O-CB 3.31Å; I141-S144 WeakPolarHBondContact O-CB 3.32Å; I141-S144 PolarHBondContact O-N 2.84Å; F142-S144 PolarHBondContact O-N 3.16Å; S144-S146 PolarHBondContact O-N 3.45Å; S144-S382 PolarHBondContact OG-OG 3.42Å
145	F	95.7	Very high	95.3	Very high	148 Å²	148	43.5 Å²	43.5	65%	0.649	23%	0.233	S	C	*	.	S	Bend	trans	-79.1	54.9	170.5	-65.7	-75.6	0	0	0	111.7	I141 F142 A143 F383	I141-F145 HydrophobicContact CG2-CE2 3.76Å; I141-F145 VanDerWaalsContact O-CD2 3.28Å; I141-F145 WeakPolarHBondContact O-CD2 3.46Å; F142-F145 PolarHBondContact O-N 2.73Å; A143-F145 VanDerWaalsContact C-N 3.26Å; A143-F145 PolarHBondContact O-N 2.73Å; F145-F383 HydrophobicContact CE1-CD2 4.4Å; F145-F383 HydrophobicContact CE1-CE2 4.31Å; F145-F383 HydrophobicContact CE2-CD2 4.33Å; F145-F383 HydrophobicContact CE2-CE2 4.2Å; F145-F383 AromaticContact CZ-CD2 3.9Å; F145-F383 HydrophobicContact CZ-CD2 3.9Å; F145-F383 AromaticContact CZ-CE2 3.59Å; F145-F383 HydrophobicContact CZ-CE2 3.59Å
146	S	92.7	Very high	95.1	Very high	41 Å²	41	46.7 Å²	46.7	29%	0.287	25%	0.248	S	C	.	.	S	Bend	trans	-134	152.7	-179.5	54.3	0	0	0	0	110.2	A143 S144 E148 P379	A143-S146 WeakPolarHBondContact O-CB 3.41Å; A143-S146 PolarHBondContact O-OG 2.97Å; S144-S146 PolarHBondContact O-N 3.45Å; S146-E148 VanDerWaalsContact C-N 3.26Å; S146-E148 WeakPolarHBondContact CB-O 3.18Å; S146-E148 PolarHBondContact O-N 2.76Å; S146-E148 PolarHBondContact OG-O 3.49Å; S146-P379 WeakPolarHBondContact O-CG 3.34Å
147	K	90.1	Very high	95	Very high	216 Å²	216	52.3 Å²	52.3	94%	0.939	29%	0.288	S	S	*	.	S	Bend	trans	-65.4	-35.2	175.3	-71.8	-174.2	179.6	-179.6	0	111.6
148	E	92.6	Very high	94.9	Very high	89 Å²	89	55.4 Å²	55.4	42%	0.416	30%	0.299	S	S	.	.	S	Bend	trans	-132.9	131.4	176.5	179.3	167.8	-179.8	0	0	107.9	S146 K153	S146-E148 VanDerWaalsContact C-N 3.26Å; S146-E148 WeakPolarHBondContact CB-O 3.18Å; S146-E148 PolarHBondContact O-N 2.76Å; S146-E148 PolarHBondContact OG-O 3.49Å; E148-K153 VanDerWaalsContact CD-NZ 3.29Å; E148-K153 WeakPolarHBondContact OE1-CD 3.35Å; E148-K153 WeakPolarHBondContact OE1-CE 3.4Å; E148-K153 WeakPolarHBondContact OE1-CG 3.47Å; E148-K153 IonicContact OE1-NZ 3.93Å; E148-K153 PolarHBondContact OE1-NZ 3.3Å; E148-K153 IonicContact OE2-NZ 2.78Å; E148-K153 PolarHBondContact OE2-NZ 3.41Å; E148-K153 VanDerWaalsContact OE2-NZ 3.16Å
149	L	96	Very high	94.7	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	30%	0.303	C	S	.	.			trans	-65	134.8	-177.3	-67.1	176	0	0	0	110.5	W151 A152 P379	L149-W151 HydrophobicContact CB-CD2 4.27Å; L149-W151 HydrophobicContact CB-CZ2 4.14Å; L149-W151 HydrophobicContact CD1-CZ2 3.83Å; L149-W151 HydrophobicContact CD2-CH2 3.98Å; L149-W151 HydrophobicContact CD2-CZ2 3.65Å; L149-W151 HydrophobicContact CG-CZ2 4.09Å; L149-W151 PolarHBondContact O-N 2.88Å; L149-W151 VanDerWaalsContact O-N 3.07Å; L149-A152 HydrophobicContact CB-CB 4.13Å; L149-A152 VanDerWaalsContact O-CB 3.32Å; L149-A152 WeakPolarHBondContact O-CB 3.4Å; L149-A152 PolarHBondContact O-N 3.38Å; L149-P379 HydrophobicContact CD2-CB 4.3Å; L149-P379 HydrophobicContact CD2-CG 4.38Å; L149-P379 HydrophobicContact CG-CG 4.33Å
150	P	95.9	Very high	94.3	Very high	16 Å²	16	58.2 Å²	58.2	10%	0.104	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-10.7	-172.9	25.2	-32	0	0	0	114.5	A143 H156 W158 Y192	A143-P150 HydrophobicContact CB-CG 3.88Å; P150-H156 PolarHBondContact O-CE1 3.36Å; P150-W158 HydrophobicContact CB-CH2 4.27Å; P150-W158 HydrophobicContact CB-CZ2 3.96Å; P150-Y192 HydrophobicContact CB-CD2 4.06Å; P150-Y192 HydrophobicContact CB-CE2 3.72Å; P150-Y192 HydrophobicContact CG-CD2 4.3Å; P150-Y192 HydrophobicContact CG-CE2 3.63Å
151	W	94.4	Very high	93.8	Very high	2 Å²	2	68.3 Å²	68.3	1%	0.008	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	2.1	173.3	54.4	83.4	0	0	0	113.6	F140 A143 L149 P188 A189 Y192 P369 S382 F386	F140-W151 HydrophobicContact CB-CH2 4.4Å; F140-W151 HydrophobicContact CD1-CD2 4.34Å; F140-W151 AromaticContact CD1-CE3 3.84Å; F140-W151 HydrophobicContact CD1-CE3 3.84Å; F140-W151 AromaticContact CD1-CH2 3.5Å; F140-W151 HydrophobicContact CD1-CH2 3.5Å; F140-W151 HydrophobicContact CD1-CZ2 4.02Å; F140-W151 AromaticContact CD1-CZ3 3.38Å; F140-W151 HydrophobicContact CD1-CZ3 3.38Å; F140-W151 HydrophobicContact CE1-CD2 4.13Å; F140-W151 AromaticContact CE1-CE3 3.79Å; F140-W151 HydrophobicContact CE1-CE3 3.79Å; F140-W151 HydrophobicContact CE1-CH2 4.24Å; F140-W151 AromaticContact CE1-CZ3 3.84Å; F140-W151 HydrophobicContact CE1-CZ3 3.84Å; F140-W151 HydrophobicContact CG-CH2 4.32Å; F140-W151 HydrophobicContact CG-CZ3 4.17Å; A143-W151 HydrophobicContact CB-CH2 4.24Å; A143-W151 HydrophobicContact CB-CZ3 3.64Å; L149-W151 HydrophobicContact CB-CD2 4.27Å; L149-W151 HydrophobicContact CB-CZ2 4.14Å; L149-W151 HydrophobicContact CD1-CZ2 3.83Å; L149-W151 HydrophobicContact CD2-CH2 3.98Å; L149-W151 HydrophobicContact CD2-CZ2 3.65Å; L149-W151 HydrophobicContact CG-CZ2 4.09Å; L149-W151 PolarHBondContact O-N 2.88Å; L149-W151 VanDerWaalsContact O-N 3.07Å; W151-P188 WeakPolarHBondContact O-CB 3.21Å; W151-P188 WeakPolarHBondContact O-CG 3.42Å; W151-A189 HydrophobicContact CB-CB 3.95Å; W151-A189 PolarHBondContact O-N 3.14Å; W151-Y192 HydrophobicContact CB-CD1 4.11Å; W151-Y192 HydrophobicContact CB-CG 3.96Å; W151-Y192 HydrophobicContact CD2-CD1 4.45Å; W151-Y192 AromaticContact CE3-CD1 3.71Å; W151-Y192 HydrophobicContact CE3-CD1 3.71Å; W151-Y192 AromaticContact CE3-CE1 3.42Å; W151-Y192 HydrophobicContact CE3-CE1 3.42Å; W151-Y192 VanDerWaalsContact CE3-CE1 3.42Å; W151-Y192 HydrophobicContact CE3-CE2 4.35Å; W151-Y192 HydrophobicContact CE3-CG 4.28Å; W151-Y192 AromaticContact CE3-CZ 3.77Å; W151-Y192 AromaticContact CZ3-CE1 3.83Å; W151-Y192 HydrophobicContact CZ3-CE1 3.83Å; W151-P369 VanDerWaalsContact CD1-O 3.3Å; W151-P369 HydrophobicContact CD2-CB 4.28Å; W151-P369 HydrophobicContact CG-CB 4.24Å; W151-P369 HydrophobicContact CZ2-CB 4.37Å; W151-P369 PolarHBondContact NE1-O 2.86Å; W151-S382 VanDerWaalsContact CZ2-OG 3.26Å; W151-S382 WeakPolarHBondContact CZ2-OG 3.38Å; W151-F386 HydrophobicContact CH2-CE2 4.32Å; W151-F386 HydrophobicContact CZ2-CE2 4.23Å
152	A	91.4	Very high	93.1	Very high	29 Å²	29	70.8 Å²	70.8	24%	0.24	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-29.5	-178.4	0	0	0	0	0	113.1	L149	L149-A152 HydrophobicContact CB-CB 4.13Å; L149-A152 VanDerWaalsContact O-CB 3.32Å; L149-A152 WeakPolarHBondContact O-CB 3.4Å; L149-A152 PolarHBondContact O-N 3.38Å
153	K	90.7	Very high	92.6	Very high	97 Å²	97	66.5 Å²	66.5	42%	0.422	36%	0.363	S	S	.	.	S	Bend	trans	-139.8	155.3	-179.3	-66.8	-169.4	-163.8	132.1	0	113.2	E148 H156 D165 P188	E148-K153 VanDerWaalsContact CD-NZ 3.29Å; E148-K153 WeakPolarHBondContact OE1-CD 3.35Å; E148-K153 WeakPolarHBondContact OE1-CE 3.4Å; E148-K153 WeakPolarHBondContact OE1-CG 3.47Å; E148-K153 IonicContact OE1-NZ 3.93Å; E148-K153 PolarHBondContact OE1-NZ 3.3Å; E148-K153 IonicContact OE2-NZ 2.78Å; E148-K153 PolarHBondContact OE2-NZ 3.41Å; E148-K153 VanDerWaalsContact OE2-NZ 3.16Å; K153-H156 PolarHBondContact O-CE1 2.88Å; K153-H156 VanDerWaalsContact O-CE1 3.26Å; K153-H156 PolarHBondContact O-ND1 2.92Å; K153-H156 VanDerWaalsContact O-ND1 3.09Å; K153-D165 VanDerWaalsContact CA-OD1 3.23Å; K153-D165 WeakPolarHBondContact CA-OD1 3.44Å; K153-P188 VanDerWaalsContact C-CB 3.45Å
154	C	91.4	Very high	92	Very high	30 Å²	30	67 Å²	67	20%	0.203	36%	0.362	C	S	.	.	S	Bend	trans	-73.4	172.9	168.7	-60	0	0	0	0	111.4	N159 C163 I164 D165	C154-N159 WeakPolarHBondContact CA-OD1 3.5Å; C154-C163 HydrophobicContact CB-CB 3.83Å; C154-C163 WeakPolarHBondContact CB-SG 3.22Å; C154-C163 WeakPolarHBondContact SG-CB 3.3Å; C154-C163 CovalentContact SG-SG 2.04Å; C154-C163 PolarHBondContact SG-SG 3.48Å; C154-I164 VanDerWaalsContact SG-C 3.5Å; C154-I164 PolarHBondContact SG-N 3.14Å; C154-D165 PolarHBondContact N-OD1 3.48Å
155	G	90.9	Very high	91	Very high	77 Å²	77	70 Å²	70	79%	0.794	38%	0.378	S	S	*	.			trans	102.6	3.2	177.6	0	0	0	0	0	114.7	N159	G155-N159 PolarHBondContact N-OD1 3.08Å
156	H	94.6	Very high	89.3	Confident	67 Å²	67	65.2 Å²	65.2	31%	0.31	37%	0.371	S	S	.	.	S	Bend	trans	-81	164.3	171.2	-57.6	90.6	0	0	0	111.4	P150 K153 W158 N159	P150-H156 PolarHBondContact O-CE1 3.36Å; K153-H156 PolarHBondContact O-CE1 2.88Å; K153-H156 VanDerWaalsContact O-CE1 3.26Å; K153-H156 PolarHBondContact O-ND1 2.92Å; K153-H156 VanDerWaalsContact O-ND1 3.09Å; H156-W158 HydrophobicContact CB-CD2 3.71Å; H156-W158 HydrophobicContact CB-CE3 4.09Å; H156-W158 HydrophobicContact CB-CG 4.32Å; H156-W158 HydrophobicContact CB-CH2 3.85Å; H156-W158 HydrophobicContact CB-CZ2 3.41Å; H156-W158 VanDerWaalsContact CB-CZ2 3.41Å; H156-W158 HydrophobicContact CB-CZ3 4.16Å; H156-W158 AromaticContact CD2-CH2 3.66Å; H156-W158 AromaticContact CD2-CZ2 3.54Å; H156-W158 AromaticContact CG-CE2 3.77Å; H156-W158 AromaticContact CG-CH2 3.87Å; H156-W158 AromaticContact CG-CZ2 3.37Å; H156-W158 AromaticContact ND1-CZ2 4Å; H156-W158 PolarHBondContact O-N 2.93Å; H156-N159 VanDerWaalsContact CB-OD1 3.32Å; H156-N159 WeakPolarHBondContact CB-OD1 3.49Å; H156-N159 PolarHBondContact N-OD1 3.07Å; H156-N159 PolarHBondContact ND1-OD1 2.82Å; H156-N159 WeakPolarHBondContact O-CB 3.35Å; H156-N159 PolarHBondContact O-N 2.88Å
157	S	95.5	Very high	87.4	Confident	120 Å²	120	68.3 Å²	68.3	84%	0.839	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-22.2	-177.1	57.3	0	0	0	0	114.7
158	W	94.9	Very high	85.4	Confident	65 Å²	65	61 Å²	61	25%	0.246	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-7.5	175.4	54.8	80.5	0	0	0	113.3	P150 H156 Y192 N195 R196	P150-W158 HydrophobicContact CB-CH2 4.27Å; P150-W158 HydrophobicContact CB-CZ2 3.96Å; H156-W158 HydrophobicContact CB-CD2 3.71Å; H156-W158 HydrophobicContact CB-CE3 4.09Å; H156-W158 HydrophobicContact CB-CG 4.32Å; H156-W158 HydrophobicContact CB-CH2 3.85Å; H156-W158 HydrophobicContact CB-CZ2 3.41Å; H156-W158 VanDerWaalsContact CB-CZ2 3.41Å; H156-W158 HydrophobicContact CB-CZ3 4.16Å; H156-W158 AromaticContact CD2-CH2 3.66Å; H156-W158 AromaticContact CD2-CZ2 3.54Å; H156-W158 AromaticContact CG-CE2 3.77Å; H156-W158 AromaticContact CG-CH2 3.87Å; H156-W158 AromaticContact CG-CZ2 3.37Å; H156-W158 AromaticContact ND1-CZ2 4Å; H156-W158 PolarHBondContact O-N 2.93Å; W158-Y192 AromaticContact CE2-CD2 3.92Å; W158-Y192 AromaticContact CZ2-CD2 3.78Å; W158-Y192 HydrophobicContact CZ2-CD2 3.78Å; W158-Y192 HydrophobicContact CZ2-CE2 4.12Å; W158-Y192 AromaticContact NE1-CD2 3.93Å; W158-N195 HydrophobicContact CB-CB 4.31Å; W158-N195 PolarHBondContact O-ND2 2.7Å; W158-R196 HydrophobicContact CB-CB 4.08Å; W158-R196 HydrophobicContact CD2-CB 3.67Å; W158-R196 HydrophobicContact CD2-CG 3.45Å; W158-R196 VanDerWaalsContact CD2-CG 3.45Å; W158-R196 HydrophobicContact CE3-CB 4.17Å; W158-R196 HydrophobicContact CE3-CG 3.46Å; W158-R196 VanDerWaalsContact CE3-CG 3.46Å; W158-R196 HydrophobicContact CG-CB 3.62Å; W158-R196 HydrophobicContact CG-CG 3.97Å; W158-R196 HydrophobicContact CH2-CG 4.12Å; W158-R196 HydrophobicContact CZ2-CG 4.13Å; W158-R196 HydrophobicContact CZ3-CG 3.8Å
159	N	94.4	Very high	83.1	Confident	26 Å²	26	67 Å²	67	14%	0.139	38%	0.377	C	S	.	.			trans	-78.9	140.3	-178.1	-69.8	130.1	0	0	0	112	C154 G155 H156 C163 E191	C154-N159 WeakPolarHBondContact CA-OD1 3.5Å; G155-N159 PolarHBondContact N-OD1 3.08Å; H156-N159 VanDerWaalsContact CB-OD1 3.32Å; H156-N159 WeakPolarHBondContact CB-OD1 3.49Å; H156-N159 PolarHBondContact N-OD1 3.07Å; H156-N159 PolarHBondContact ND1-OD1 2.82Å; H156-N159 WeakPolarHBondContact O-CB 3.35Å; H156-N159 PolarHBondContact O-N 2.88Å; N159-C163 HydrophobicContact CB-CB 4.14Å; N159-C163 PolarHBondContact ND2-SG 3.49Å; N159-E191 WeakPolarHBondContact CA-OE2 3.41Å; N159-E191 WeakPolarHBondContact CB-OE2 3.38Å; N159-E191 PolarHBondContact ND2-OE2 3.23Å
160	T	91.4	Very high	80.6	Confident	59 Å²	59	72.8 Å²	72.8	36%	0.362	41%	0.412	S	S	.	.			trans	-82	166.2	173.6	80.4	0	0	0	0	110.8	S162 C163 E191	T160-S162 PolarHBondContact O-N 3.44Å; T160-S162 PolarHBondContact OG1-N 3.48Å; T160-C163 VanDerWaalsContact O-CB 3.28Å; T160-C163 WeakPolarHBondContact O-CB 3.29Å; T160-C163 PolarHBondContact O-N 2.9Å; T160-C163 VanDerWaalsContact O-N 3.15Å; T160-E191 WeakPolarHBondContact CB-OE1 3.39Å; T160-E191 WeakPolarHBondContact CG2-OE1 3.48Å; T160-E191 PolarHBondContact N-OE2 3.46Å; T160-E191 PolarHBondContact OG1-OE1 3.26Å
161	K	86.6	Confident	78.2	Confident	213 Å²	213	79.1 Å²	79.1	93%	0.926	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-15.8	173.4	-64.2	-177.1	-179.9	179.1	0	113.1	C163	K161-C163 VanDerWaalsContact C-N 3.35Å
162	S	83.4	Confident	76	Confident	62 Å²	62	85.8 Å²	85.8	43%	0.434	48%	0.48	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-1.9	177.6	-56	0	0	0	0	112.6	T160 I164 G185 T186	T160-S162 PolarHBondContact O-N 3.44Å; T160-S162 PolarHBondContact OG1-N 3.48Å; S162-I164 WeakPolarHBondContact O-CG1 3.45Å; S162-I164 PolarHBondContact O-N 3.4Å; S162-G185 VanDerWaalsContact O-CA 3.32Å; S162-G185 WeakPolarHBondContact O-CA 3.43Å; S162-T186 PolarHBondContact O-N 3.26Å
163	C	88.6	Confident	74	Confident	16 Å²	16	90.2 Å²	90.2	11%	0.108	51%	0.51	C	S	.	.	B	Isolated β-bridge	trans	-64.3	131.8	177.8	-170.7	0	0	0	0	110.8	C154 N159 T160 K161 T186 E191	C154-C163 HydrophobicContact CB-CB 3.83Å; C154-C163 WeakPolarHBondContact CB-SG 3.22Å; C154-C163 WeakPolarHBondContact SG-CB 3.3Å; C154-C163 CovalentContact SG-SG 2.04Å; C154-C163 PolarHBondContact SG-SG 3.48Å; N159-C163 HydrophobicContact CB-CB 4.14Å; N159-C163 PolarHBondContact ND2-SG 3.49Å; T160-C163 VanDerWaalsContact O-CB 3.28Å; T160-C163 WeakPolarHBondContact O-CB 3.29Å; T160-C163 PolarHBondContact O-N 2.9Å; T160-C163 VanDerWaalsContact O-N 3.15Å; K161-C163 VanDerWaalsContact C-N 3.35Å; C163-T186 CarbonylContact C-O 3.6Å; C163-T186 VanDerWaalsContact CA-O 3.25Å; C163-T186 WeakPolarHBondContact CA-O 3.45Å; C163-E191 WeakPolarHBondContact CB-OE2 3.48Å
164	I	83.1	Confident	71.9	Confident	28 Å²	28	90.8 Å²	90.8	14%	0.144	52%	0.518	C	S	.	.			trans	-125.5	126.7	179.2	-52.9	179	0	0	0	110.3	C154 S162 G166 I168 Q181 T186 P188	C154-I164 VanDerWaalsContact SG-C 3.5Å; C154-I164 PolarHBondContact SG-N 3.14Å; S162-I164 WeakPolarHBondContact O-CG1 3.45Å; S162-I164 PolarHBondContact O-N 3.4Å; I164-G166 PolarHBondContact O-N 3.28Å; I164-I168 HydrophobicContact CG2-CD1 4.06Å; I164-I168 HydrophobicContact CG2-CG1 4.08Å; I164-Q181 HydrophobicContact CD1-CB 3.54Å; I164-Q181 HydrophobicContact CD1-CG 3.55Å; I164-Q181 WeakPolarHBondContact CD1-O 3.46Å; I164-Q181 HydrophobicContact CG1-CG 4.32Å; I164-T186 PolarHBondContact N-O 3.4Å; I164-P188 VanDerWaalsContact O-CD 3.29Å; I164-P188 WeakPolarHBondContact O-CD 3.3Å
165	D	76.4	Confident	70	Confident	68 Å²	68	94 Å²	94	36%	0.364	54%	0.54	S	S	.	.			trans	-64.3	131.9	168.6	-68.4	-30.3	0	0	0	109.7	K153 C154 V167	K153-D165 VanDerWaalsContact CA-OD1 3.23Å; K153-D165 WeakPolarHBondContact CA-OD1 3.44Å; C154-D165 PolarHBondContact N-OD1 3.48Å; D165-V167 PolarHBondContact O-N 2.87Å
166	G	61.2	Low	68	Low	49 Å²	49	95.9 Å²	95.9	51%	0.505	54%	0.537	S	S	.	.	S	Bend	trans	-62.8	14	-171.2	0	0	0	0	0	117.1	I164	I164-G166 PolarHBondContact O-N 3.28Å
167	V	52.2	Low	65.7	Low	106 Å²	106	95.8 Å²	95.8	64%	0.642	54%	0.543	S	S	*	.			trans	-116.2	74.2	177.8	-170.7	0	0	0	0	109.2	D165 R169	D165-V167 PolarHBondContact O-N 2.87Å; V167-R169 HydrophobicContact CG1-CG 3.9Å; V167-R169 PolarHBondContact O-N 2.97Å
168	I	47	Very low	63.4	Low	63 Å²	63	92.2 Å²	92.2	32%	0.323	52%	0.515	S	S	.	.			trans	-82.5	93.6	158.8	-57.9	175.2	0	0	0	106.3	I164 T170 L178	I164-I168 HydrophobicContact CG2-CD1 4.06Å; I164-I168 HydrophobicContact CG2-CG1 4.08Å; I168-T170 PolarHBondContact O-N 3.05Å; I168-L178 HydrophobicContact CD1-CD2 3.94Å; I168-L178 HydrophobicContact CG2-CD2 3.77Å
169	R	45.4	Very low	61	Low	215 Å²	215	94.2 Å²	94.2	81%	0.811	53%	0.529	S	S	*	.			trans	-62.9	105.7	163.8	-70.7	-168.2	179.4	-132.2	-0.2	107	V167 N171	V167-R169 HydrophobicContact CG1-CG 3.9Å; V167-R169 PolarHBondContact O-N 2.97Å; R169-N171 PolarHBondContact O-N 3.5Å
170	T	44.3	Very low	58.4	Low	120 Å²	120	101.9 Å²	101.9	74%	0.736	56%	0.556	S	S	*	*	S	Bend	trans	-65.6	79.2	178.1	46.9	0	0	0	0	110.6	I168	I168-T170 PolarHBondContact O-N 3.05Å
171	N	44.5	Very low	56.2	Low	149 Å²	149	103.2 Å²	103.2	80%	0.797	56%	0.559	S	S	*	*			trans	-139.4	17.8	168.4	-86.8	-20	0	0	0	113.1	R169	R169-N171 PolarHBondContact O-N 3.5Å
172	L	48.9	Very low	54.4	Low	142 Å²	142	99.2 Å²	99.2	74%	0.743	54%	0.543	S	S	*	.			trans	-122.6	125.1	178.8	-103.5	80.9	0	0	0	113.5	N174	L172-N174 PolarHBondContact O-N 3.12Å
173	S	47.8	Very low	52.7	Low	122 Å²	122	102 Å²	102	85%	0.853	55%	0.552	S	S	*	*	S	Bend	trans	-69.5	28.6	-164.6	-30.9	0	0	0	0	117.3
174	N	47	Very low	50.9	Low	110 Å²	110	106.8 Å²	106.8	59%	0.588	58%	0.576	S	S	*	*			trans	-119.9	70.9	178.9	-102.4	-13	0	0	0	111	L172 T176 S177 L178	L172-N174 PolarHBondContact O-N 3.12Å; N174-T176 PolarHBondContact O-N 2.92Å; N174-T176 VanDerWaalsContact O-N 3.17Å; N174-S177 PolarHBondContact O-OG 2.93Å; N174-L178 WeakPolarHBondContact O-CB 3.38Å; N174-L178 PolarHBondContact O-N 3.19Å
175	S	51.2	Low	49.9	Very low	98 Å²	98	106.8 Å²	106.8	69%	0.685	58%	0.582	S	S	*	*	H	α-helix	trans	-57.5	-31	-174.9	-57.4	0	0	0	0	113.4	L179	S175-L179 WeakPolarHBondContact O-CB 3.33Å; S175-L179 PolarHBondContact O-N 3.29Å
176	T	50.4	Low	50	Low	116 Å²	116	104.2 Å²	104.2	71%	0.712	57%	0.569	S	S	*	*	H	α-helix	trans	-75.7	-43.9	-175.8	9.6	0	0	0	0	113.9	N174 R180	N174-T176 PolarHBondContact O-N 2.92Å; N174-T176 VanDerWaalsContact O-N 3.17Å; T176-R180 WeakPolarHBondContact O-CB 3.37Å; T176-R180 PolarHBondContact O-N 3.05Å
177	S	45.9	Very low	51.2	Low	64 Å²	64	103 Å²	103	45%	0.448	55%	0.551	S	S	.	*	H	α-helix	trans	-72.3	-38.5	178.1	62.9	0	0	0	0	111.3	N174 R180 Q181	N174-S177 PolarHBondContact O-OG 2.93Å; S177-R180 PolarHBondContact O-N 3Å; S177-Q181 WeakPolarHBondContact O-CB 3.46Å; S177-Q181 PolarHBondContact O-N 3.04Å
178	L	46.7	Very low	53.1	Low	46 Å²	46	98.3 Å²	98.3	24%	0.241	52%	0.523	C	S	.	.	H	α-helix	trans	-69	-39.5	176.1	-87.7	166.7	0	0	0	112.3	I168 N174 Q181 H182	I168-L178 HydrophobicContact CD1-CD2 3.94Å; I168-L178 HydrophobicContact CG2-CD2 3.77Å; N174-L178 WeakPolarHBondContact O-CB 3.38Å; N174-L178 PolarHBondContact O-N 3.19Å; L178-Q181 CarbonylContact O-C 3.57Å; L178-Q181 PolarHBondContact O-N 3.41Å; L178-H182 VanDerWaalsContact O-CB 3.28Å; L178-H182 WeakPolarHBondContact O-CB 3.23Å; L178-H182 PolarHBondContact O-N 3.33Å
179	L	44.7	Very low	55.2	Low	106 Å²	106	95.3 Å²	95.3	56%	0.555	51%	0.508	S	S	*	.	H	α-helix	trans	-65.7	-40.8	174.1	-169.5	76.6	0	0	0	110.4	S175 Q181 H182 I183	S175-L179 WeakPolarHBondContact O-CB 3.33Å; S175-L179 PolarHBondContact O-N 3.29Å; L179-Q181 PolarHBondContact O-N 3.01Å; L179-H182 PolarHBondContact O-N 2.86Å; L179-I183 HydrophobicContact CD1-CD1 4.29Å; L179-I183 HydrophobicContact CD2-CD1 4.23Å; L179-I183 HydrophobicContact CG-CD1 3.73Å; L179-I183 HydrophobicContact CG-CG1 4.41Å; L179-I183 VanDerWaalsContact O-CB 3.32Å; L179-I183 WeakPolarHBondContact O-CB 3.36Å; L179-I183 WeakPolarHBondContact O-CG1 3.4Å; L179-I183 PolarHBondContact O-N 3.14Å
180	R	38.9	Very low	57.4	Low	187 Å²	187	85.5 Å²	85.5	71%	0.706	47%	0.472	S	S	*	.	H	α-helix	trans	-60.5	-44.1	171.8	-115.5	-173.9	178.3	-170.4	-0.2	112	T176 S177 I183 L184	T176-R180 WeakPolarHBondContact O-CB 3.37Å; T176-R180 PolarHBondContact O-N 3.05Å; S177-R180 PolarHBondContact O-N 3Å; R180-I183 PolarHBondContact O-N 3.17Å; R180-L184 HydrophobicContact CG-CD1 4.11Å; R180-L184 VanDerWaalsContact O-CB 3.23Å; R180-L184 WeakPolarHBondContact O-CB 3.45Å; R180-L184 WeakPolarHBondContact O-CG 3.38Å; R180-L184 PolarHBondContact O-N 3.29Å
181	Q	45.5	Very low	59.7	Low	88 Å²	88	79.8 Å²	79.8	41%	0.411	44%	0.437	S	S	.	.	H	α-helix	trans	-66	-38.4	176.3	-113.6	-173.1	-38.7	0	0	111.8	I164 S177 L178 L179 G185	I164-Q181 HydrophobicContact CD1-CB 3.54Å; I164-Q181 HydrophobicContact CD1-CG 3.55Å; I164-Q181 WeakPolarHBondContact CD1-O 3.46Å; I164-Q181 HydrophobicContact CG1-CG 4.32Å; S177-Q181 WeakPolarHBondContact O-CB 3.46Å; S177-Q181 PolarHBondContact O-N 3.04Å; L178-Q181 CarbonylContact O-C 3.57Å; L178-Q181 PolarHBondContact O-N 3.41Å; L179-Q181 PolarHBondContact O-N 3.01Å; Q181-G185 WeakPolarHBondContact O-CA 3.31Å; Q181-G185 PolarHBondContact O-N 2.98Å
182	H	49.3	Very low	62.2	Low	129 Å²	129	72.9 Å²	72.9	60%	0.597	40%	0.399	S	S	*	.	H	α-helix	trans	-70.5	-34.2	177.2	-170.5	-67.6	0	0	0	112	L178 L179	L178-H182 VanDerWaalsContact O-CB 3.28Å; L178-H182 WeakPolarHBondContact O-CB 3.23Å; L178-H182 PolarHBondContact O-N 3.33Å; L179-H182 PolarHBondContact O-N 2.86Å
183	I	47.2	Very low	64.4	Low	121 Å²	121	66.1 Å²	66.1	62%	0.621	36%	0.364	S	S	*	.	H	α-helix	trans	-79	-34.6	179.3	-67.4	170.2	0	0	0	111.5	L179 R180	L179-I183 HydrophobicContact CD1-CD1 4.29Å; L179-I183 HydrophobicContact CD2-CD1 4.23Å; L179-I183 HydrophobicContact CG-CD1 3.73Å; L179-I183 HydrophobicContact CG-CG1 4.41Å; L179-I183 VanDerWaalsContact O-CB 3.32Å; L179-I183 WeakPolarHBondContact O-CB 3.36Å; L179-I183 WeakPolarHBondContact O-CG1 3.4Å; L179-I183 PolarHBondContact O-N 3.14Å; R180-I183 PolarHBondContact O-N 3.17Å
184	L	51.5	Low	66.6	Low	116 Å²	116	60.3 Å²	60.3	61%	0.607	32%	0.323	S	S	*	.	H	α-helix	trans	-110.7	-11.8	-173	-62.9	168	0	0	0	114.4	R180	R180-L184 HydrophobicContact CG-CD1 4.11Å; R180-L184 VanDerWaalsContact O-CB 3.23Å; R180-L184 WeakPolarHBondContact O-CB 3.45Å; R180-L184 WeakPolarHBondContact O-CG 3.38Å; R180-L184 PolarHBondContact O-N 3.29Å
185	G	62	Low	68.9	Low	27 Å²	27	57.4 Å²	57.4	28%	0.278	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-79.6	138.7	-175	0	0	0	0	0	111.4	S162 Q181	S162-G185 VanDerWaalsContact O-CA 3.32Å; S162-G185 WeakPolarHBondContact O-CA 3.43Å; Q181-G185 WeakPolarHBondContact O-CA 3.31Å; Q181-G185 PolarHBondContact O-N 2.98Å
186	T	79	Confident	71.1	Confident	15 Å²	15	55.2 Å²	55.2	9%	0.092	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-100.1	143.7	177.9	36.5	0	0	0	0	109.2	S162 C163 I164 E191 V529	S162-T186 PolarHBondContact O-N 3.26Å; C163-T186 CarbonylContact C-O 3.6Å; C163-T186 VanDerWaalsContact CA-O 3.25Å; C163-T186 WeakPolarHBondContact CA-O 3.45Å; I164-T186 PolarHBondContact N-O 3.4Å; T186-E191 PolarHBondContact OG1-OE1 2.93Å; T186-V529 HydrophobicContact CG2-CB 4.15Å; T186-V529 HydrophobicContact CG2-CG1 4.08Å; T186-V529 HydrophobicContact CG2-CG2 3.88Å
187	D	85.8	Confident	73.3	Confident	23 Å²	23	49.7 Å²	49.7	12%	0.123	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-85.8	158.4	177.4	75.4	-111.3	0	0	0	111.5	A189 S190 E191 K370	D187-A189 VanDerWaalsContact C-N 3.25Å; D187-A189 PolarHBondContact O-N 3.29Å; D187-A189 WeakPolarHBondContact OD2-CA 3.19Å; D187-A189 VanDerWaalsContact OD2-CB 3.31Å; D187-A189 WeakPolarHBondContact OD2-CB 3.4Å; D187-A189 PolarHBondContact OD2-N 3.44Å; D187-S190 PolarHBondContact O-N 3.36Å; D187-S190 PolarHBondContact OD1-OG 3.41Å; D187-S190 PolarHBondContact OD2-N 2.83Å; D187-S190 PolarHBondContact OD2-OG 3.39Å; D187-E191 PolarHBondContact O-N 2.99Å; D187-E191 VanDerWaalsContact O-N 3.12Å; D187-K370 HydrophobicContact CB-CD 4.38Å; D187-K370 IonicContact OD1-NZ 2.59Å; D187-K370 PolarHBondContact OD1-NZ 3.26Å; D187-K370 IonicContact OD2-NZ 2.96Å
188	P	91.8	Very high	75.8	Confident	7 Å²	7	46.8 Å²	46.8	5%	0.045	23%	0.23	C	C	.	.	H	α-helix	trans	-62.5	-26.4	-176.6	22.1	-34.5	0	0	0	114.5	W151 K153 I164 Y192	W151-P188 WeakPolarHBondContact O-CB 3.21Å; W151-P188 WeakPolarHBondContact O-CG 3.42Å; K153-P188 VanDerWaalsContact C-CB 3.45Å; I164-P188 VanDerWaalsContact O-CD 3.29Å; I164-P188 WeakPolarHBondContact O-CD 3.3Å; P188-Y192 WeakPolarHBondContact O-CB 3.37Å; P188-Y192 PolarHBondContact O-N 3.37Å
189	A	92.3	Very high	78.2	Confident	1 Å²	1	51.1 Å²	51.1	1%	0.008	24%	0.243	C	C	.	.	H	α-helix	trans	-75.8	-41.3	177.8	0	0	0	0	0	112	W151 D187 E191 Y192 W193 I366 K370	W151-A189 HydrophobicContact CB-CB 3.95Å; W151-A189 PolarHBondContact O-N 3.14Å; D187-A189 VanDerWaalsContact C-N 3.25Å; D187-A189 PolarHBondContact O-N 3.29Å; D187-A189 WeakPolarHBondContact OD2-CA 3.19Å; D187-A189 VanDerWaalsContact OD2-CB 3.31Å; D187-A189 WeakPolarHBondContact OD2-CB 3.4Å; D187-A189 PolarHBondContact OD2-N 3.44Å; A189-E191 VanDerWaalsContact C-N 3.33Å; A189-E191 PolarHBondContact O-N 3.1Å; A189-Y192 PolarHBondContact O-N 3.35Å; A189-W193 WeakPolarHBondContact O-CB 3.4Å; A189-W193 PolarHBondContact O-N 3.03Å; A189-I366 HydrophobicContact CB-CG2 4.42Å; A189-K370 HydrophobicContact CB-CB 3.8Å; A189-K370 HydrophobicContact CB-CG 4.39Å
190	S	90.8	Very high	80.6	Confident	8 Å²	8	46.9 Å²	46.9	6%	0.056	22%	0.221	C	C	.	.	H	α-helix	trans	-57.8	-46.1	172.6	-67.4	0	0	0	0	111.3	D187 W193 E194 I366	D187-S190 PolarHBondContact O-N 3.36Å; D187-S190 PolarHBondContact OD1-OG 3.41Å; D187-S190 PolarHBondContact OD2-N 2.83Å; D187-S190 PolarHBondContact OD2-OG 3.39Å; S190-W193 PolarHBondContact O-N 2.86Å; S190-E194 PolarHBondContact O-N 3.25Å; S190-I366 VanDerWaalsContact OG-CG2 3.29Å; S190-I366 WeakPolarHBondContact OG-CG2 3.29Å
191	E	93.5	Very high	83.3	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-73.5	-34.3	177.9	-66.9	-166.4	171.2	0	0	113.5	N159 T160 C163 T186 D187 A189 W193 N195 R196	N159-E191 WeakPolarHBondContact CA-OE2 3.41Å; N159-E191 WeakPolarHBondContact CB-OE2 3.38Å; N159-E191 PolarHBondContact ND2-OE2 3.23Å; T160-E191 WeakPolarHBondContact CB-OE1 3.39Å; T160-E191 WeakPolarHBondContact CG2-OE1 3.48Å; T160-E191 PolarHBondContact N-OE2 3.46Å; T160-E191 PolarHBondContact OG1-OE1 3.26Å; C163-E191 WeakPolarHBondContact CB-OE2 3.48Å; T186-E191 PolarHBondContact OG1-OE1 2.93Å; D187-E191 PolarHBondContact O-N 2.99Å; D187-E191 VanDerWaalsContact O-N 3.12Å; A189-E191 VanDerWaalsContact C-N 3.33Å; A189-E191 PolarHBondContact O-N 3.1Å; E191-W193 VanDerWaalsContact C-N 3.33Å; E191-N195 WeakPolarHBondContact O-CA 3.2Å; E191-N195 WeakPolarHBondContact O-CB 3.23Å; E191-N195 PolarHBondContact O-N 3.13Å; E191-R196 PolarHBondContact O-N 2.81Å
192	Y	95.7	Very high	85.6	Confident	4 Å²	4	39.7 Å²	39.7	2%	0.016	20%	0.201	C	C	.	.	I	π-helix	trans	-59.2	-48.6	171.5	179.2	-98.7	0	0	0	110.1	H139 F140 A143 P150 W151 W158 P188 A189 R196 V197	H139-Y192 PolarHBondContact CE1-OH 3.36Å; H139-Y192 VanDerWaalsContact CE1-OH 3.28Å; H139-Y192 PolarHBondContact ND1-OH 3.46Å; F140-Y192 HydrophobicContact CD1-CE1 4.28Å; F140-Y192 HydrophobicContact CD2-CE1 4.5Å; F140-Y192 HydrophobicContact CE1-CD1 4.01Å; F140-Y192 AromaticContact CE1-CE1 3.78Å; F140-Y192 HydrophobicContact CE1-CE1 3.78Å; F140-Y192 HydrophobicContact CE2-CE1 4.01Å; F140-Y192 AromaticContact CZ-CD1 3.8Å; F140-Y192 HydrophobicContact CZ-CD1 3.8Å; F140-Y192 AromaticContact CZ-CE1 3.65Å; F140-Y192 HydrophobicContact CZ-CE1 3.65Å; A143-Y192 WeakPolarHBondContact CB-OH 3.4Å; P150-Y192 HydrophobicContact CB-CD2 4.06Å; P150-Y192 HydrophobicContact CB-CE2 3.72Å; P150-Y192 HydrophobicContact CG-CD2 4.3Å; P150-Y192 HydrophobicContact CG-CE2 3.63Å; W151-Y192 HydrophobicContact CB-CD1 4.11Å; W151-Y192 HydrophobicContact CB-CG 3.96Å; W151-Y192 HydrophobicContact CD2-CD1 4.45Å; W151-Y192 AromaticContact CE3-CD1 3.71Å; W151-Y192 HydrophobicContact CE3-CD1 3.71Å; W151-Y192 AromaticContact CE3-CE1 3.42Å; W151-Y192 HydrophobicContact CE3-CE1 3.42Å; W151-Y192 VanDerWaalsContact CE3-CE1 3.42Å; W151-Y192 HydrophobicContact CE3-CE2 4.35Å; W151-Y192 HydrophobicContact CE3-CG 4.28Å; W151-Y192 AromaticContact CE3-CZ 3.77Å; W151-Y192 AromaticContact CZ3-CE1 3.83Å; W151-Y192 HydrophobicContact CZ3-CE1 3.83Å; W158-Y192 AromaticContact CE2-CD2 3.92Å; W158-Y192 AromaticContact CZ2-CD2 3.78Å; W158-Y192 HydrophobicContact CZ2-CD2 3.78Å; W158-Y192 HydrophobicContact CZ2-CE2 4.12Å; W158-Y192 AromaticContact NE1-CD2 3.93Å; P188-Y192 WeakPolarHBondContact O-CB 3.37Å; P188-Y192 PolarHBondContact O-N 3.37Å; A189-Y192 PolarHBondContact O-N 3.35Å; Y192-R196 HydrophobicContact CD2-CB 3.91Å; Y192-R196 HydrophobicContact CD2-CG 3.97Å; Y192-R196 HydrophobicContact CE2-CB 4.26Å; Y192-R196 HydrophobicContact CE2-CG 3.87Å; Y192-R196 HydrophobicContact CG-CB 4.44Å; Y192-R196 CarbonylContact O-C 3.54Å; Y192-R196 WeakPolarHBondContact O-CA 3.41Å; Y192-R196 WeakPolarHBondContact O-CB 3.28Å; Y192-R196 PolarHBondContact O-N 2.96Å; Y192-R196 VanDerWaalsContact O-N 3.09Å; Y192-V197 HydrophobicContact CD1-CG2 3.63Å; Y192-V197 HydrophobicContact CE1-CG2 3.25Å; Y192-V197 HydrophobicContact CE2-CG2 4.48Å; Y192-V197 HydrophobicContact CG-CG2 4.38Å; Y192-V197 WeakPolarHBondContact O-CG2 3.19Å; Y192-V197 PolarHBondContact O-N 2.59Å
193	W	95.5	Very high	87.7	Confident	1 Å²	1	33.6 Å²	33.6	0%	0.004	17%	0.173	C	C	.	.	I	π-helix	trans	-60.8	-57.2	178.2	179.1	-115.8	0	0	0	112.5	W136 F140 A189 S190 E191 V197 L198 P361 F365 I366 M446	W136-W193 HydrophobicContact CB-CH2 4.06Å; W136-W193 HydrophobicContact CB-CZ3 4.07Å; W136-W193 AromaticContact CD2-CH2 3.53Å; W136-W193 HydrophobicContact CD2-CH2 3.53Å; W136-W193 HydrophobicContact CD2-CZ2 4.39Å; W136-W193 HydrophobicContact CD2-CZ3 4.33Å; W136-W193 AromaticContact CE3-CH2 3.71Å; W136-W193 HydrophobicContact CE3-CH2 3.71Å; W136-W193 HydrophobicContact CE3-CZ2 4.35Å; W136-W193 AromaticContact CG-CH2 3.69Å; W136-W193 HydrophobicContact CG-CH2 3.69Å; W136-W193 HydrophobicContact CG-CZ3 4.01Å; W136-W193 HydrophobicContact CZ3-CH2 4.32Å; F140-W193 AromaticContact CE2-CE3 3.68Å; F140-W193 HydrophobicContact CE2-CE3 3.68Å; F140-W193 AromaticContact CE2-CZ3 3.74Å; F140-W193 HydrophobicContact CE2-CZ3 3.74Å; F140-W193 AromaticContact CZ-CE3 3.93Å; F140-W193 HydrophobicContact CZ-CE3 3.93Å; F140-W193 HydrophobicContact CZ-CZ3 4.37Å; A189-W193 WeakPolarHBondContact O-CB 3.4Å; A189-W193 PolarHBondContact O-N 3.03Å; S190-W193 PolarHBondContact O-N 2.86Å; E191-W193 VanDerWaalsContact C-N 3.33Å; W193-V197 HydrophobicContact CE3-CB 4.02Å; W193-V197 HydrophobicContact CE3-CG1 3.95Å; W193-V197 HydrophobicContact CE3-CG2 4.38Å; W193-V197 HydrophobicContact CZ3-CB 4.47Å; W193-V197 HydrophobicContact CZ3-CG1 3.89Å; W193-V197 WeakPolarHBondContact O-CB 3.45Å; W193-V197 PolarHBondContact O-N 2.59Å; W193-L198 HydrophobicContact CD2-CD1 4.02Å; W193-L198 HydrophobicContact CD2-CG 4.16Å; W193-L198 VanDerWaalsContact CE2-CD1 3.5Å; W193-L198 HydrophobicContact CE3-CG 4.45Å; W193-L198 HydrophobicContact CG-CD1 4.31Å; W193-L198 HydrophobicContact CH2-CD2 4.31Å; W193-L198 HydrophobicContact CZ2-CD1 3.9Å; W193-L198 HydrophobicContact CZ2-CD2 4.29Å; W193-L198 HydrophobicContact CZ2-CG 4.29Å; W193-L198 WeakPolarHBondContact O-CB 3.45Å; W193-L198 WeakPolarHBondContact O-CG 3.43Å; W193-L198 PolarHBondContact O-N 3.43Å; W193-P361 HydrophobicContact CZ2-CB 4.04Å; W193-F365 HydrophobicContact CD2-CB 3.89Å; W193-F365 HydrophobicContact CE3-CB 3.55Å; W193-F365 HydrophobicContact CE3-CG 4.24Å; W193-F365 HydrophobicContact CH2-CB 3.6Å; W193-F365 HydrophobicContact CH2-CD1 4.21Å; W193-F365 AromaticContact CH2-CD2 3.75Å; W193-F365 HydrophobicContact CH2-CD2 3.75Å; W193-F365 HydrophobicContact CH2-CE2 4.49Å; W193-F365 AromaticContact CH2-CG 3.58Å; W193-F365 HydrophobicContact CH2-CG 3.58Å; W193-F365 HydrophobicContact CZ2-CB 3.94Å; W193-F365 HydrophobicContact CZ2-CD2 4.27Å; W193-F365 HydrophobicContact CZ2-CG 4.27Å; W193-F365 HydrophobicContact CZ3-CB 3.42Å; W193-F365 VanDerWaalsContact CZ3-CB 3.42Å; W193-F365 AromaticContact CZ3-CD1 3.88Å; W193-F365 HydrophobicContact CZ3-CD1 3.88Å; W193-F365 HydrophobicContact CZ3-CD2 4.23Å; W193-F365 AromaticContact CZ3-CG 3.58Å; W193-F365 HydrophobicContact CZ3-CG 3.58Å; W193-I366 HydrophobicContact CB-CD1 4.33Å; W193-I366 HydrophobicContact CB-CG1 3.74Å; W193-I366 VanDerWaalsContact CD1-CD1 3.44Å; W193-I366 HydrophobicContact CD2-CG1 4.48Å; W193-I366 HydrophobicContact CG-CD1 4.05Å; W193-I366 HydrophobicContact CG-CG1 3.66Å; W193-M446 HydrophobicContact CH2-CE 4.43Å; W193-M446 HydrophobicContact CZ2-CE 3.4Å; W193-M446 VanDerWaalsContact CZ2-CE 3.4Å
194	E	94.6	Very high	90	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.145	C	C	.	.	I	π-helix	trans	-75.3	-42.1	-172.5	-68.6	-162.7	176.7	0	0	113.2	S190 R199 I200 R527 A528 V529	S190-E194 PolarHBondContact O-N 3.25Å; E194-R199 CarbonylContact O-C 2.96Å; E194-R199 VanDerWaalsContact O-CA 3.31Å; E194-R199 WeakPolarHBondContact O-CA 3.37Å; E194-R199 PolarHBondContact O-N 3.16Å; E194-I200 HydrophobicContact CB-CG2 3.79Å; E194-I200 HydrophobicContact CG-CG2 4.24Å; E194-I200 WeakPolarHBondContact O-CG2 3.31Å; E194-I200 PolarHBondContact O-N 2.89Å; E194-R527 WeakPolarHBondContact OE1-CA 3.26Å; E194-R527 WeakPolarHBondContact OE1-CB 3.28Å; E194-R527 IonicContact OE1-NE 3.27Å; E194-R527 IonicContact OE2-CZ 3Å; E194-R527 VanDerWaalsContact OE2-CZ 3.27Å; E194-R527 IonicContact OE2-NE 2.76Å; E194-R527 PolarHBondContact OE2-NE 3.38Å; E194-R527 IonicContact OE2-NH2 2.64Å; E194-R527 PolarHBondContact OE2-NH2 3.35Å; E194-A528 PolarHBondContact OE1-N 3.07Å; E194-V529 VanDerWaalsContact OE2-CG2 3.26Å; E194-V529 WeakPolarHBondContact OE2-CG2 3.49Å
195	N	95.7	Very high	92.1	Very high	48 Å²	48	27.2 Å²	27.2	26%	0.257	14%	0.141	S	C	.	.	I	π-helix	trans	-96.3	-32.4	-170.9	-57	-21	0	0	0	112.8	W158 E191 R199	W158-N195 HydrophobicContact CB-CB 4.31Å; W158-N195 PolarHBondContact O-ND2 2.7Å; E191-N195 WeakPolarHBondContact O-CA 3.2Å; E191-N195 WeakPolarHBondContact O-CB 3.23Å; E191-N195 PolarHBondContact O-N 3.13Å; N195-R199 WeakPolarHBondContact O-CG 3.32Å
196	R	96.3	Very high	93.7	Very high	52 Å²	52	30.3 Å²	30.3	20%	0.196	15%	0.151	C	C	.	.	I	π-helix	trans	-90.3	-63.4	177.5	-164.5	-49.6	-171.4	-164.3	0.2	109.9	H139 W158 E191 Y192 D213	H139-R196 PolarHBondContact NE2-NH1 2.92Å; H139-R196 PolarHBondContact NE2-NH2 3.5Å; W158-R196 HydrophobicContact CB-CB 4.08Å; W158-R196 HydrophobicContact CD2-CB 3.67Å; W158-R196 HydrophobicContact CD2-CG 3.45Å; W158-R196 VanDerWaalsContact CD2-CG 3.45Å; W158-R196 HydrophobicContact CE3-CB 4.17Å; W158-R196 HydrophobicContact CE3-CG 3.46Å; W158-R196 VanDerWaalsContact CE3-CG 3.46Å; W158-R196 HydrophobicContact CG-CB 3.62Å; W158-R196 HydrophobicContact CG-CG 3.97Å; W158-R196 HydrophobicContact CH2-CG 4.12Å; W158-R196 HydrophobicContact CZ2-CG 4.13Å; W158-R196 HydrophobicContact CZ3-CG 3.8Å; E191-R196 PolarHBondContact O-N 2.81Å; Y192-R196 HydrophobicContact CD2-CB 3.91Å; Y192-R196 HydrophobicContact CD2-CG 3.97Å; Y192-R196 HydrophobicContact CE2-CB 4.26Å; Y192-R196 HydrophobicContact CE2-CG 3.87Å; Y192-R196 HydrophobicContact CG-CB 4.44Å; Y192-R196 CarbonylContact O-C 3.54Å; Y192-R196 WeakPolarHBondContact O-CA 3.41Å; Y192-R196 WeakPolarHBondContact O-CB 3.28Å; Y192-R196 PolarHBondContact O-N 2.96Å; Y192-R196 VanDerWaalsContact O-N 3.09Å; R196-D213 IonicContact CZ-OD2 2.71Å; R196-D213 IonicContact NH1-OD1 2.69Å; R196-D213 IonicContact NH1-OD2 3.16Å; R196-D213 PolarHBondContact NH1-OD2 3.11Å; R196-D213 IonicContact NH2-OD2 2.96Å; R196-D213 PolarHBondContact NH2-OD2 3.3Å
197	V	97.5	Very high	94.4	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.163	C	C	.	.	I	π-helix	trans	-72.4	-48.5	-167.3	-179	0	0	0	0	110.9	F140 Y192 W193 Q211 L214	F140-V197 HydrophobicContact CE2-CG1 4.42Å; F140-V197 HydrophobicContact CE2-CG2 3.96Å; F140-V197 HydrophobicContact CZ-CG2 4.37Å; Y192-V197 HydrophobicContact CD1-CG2 3.63Å; Y192-V197 HydrophobicContact CE1-CG2 3.25Å; Y192-V197 HydrophobicContact CE2-CG2 4.48Å; Y192-V197 HydrophobicContact CG-CG2 4.38Å; Y192-V197 WeakPolarHBondContact O-CG2 3.19Å; Y192-V197 PolarHBondContact O-N 2.59Å; W193-V197 HydrophobicContact CE3-CB 4.02Å; W193-V197 HydrophobicContact CE3-CG1 3.95Å; W193-V197 HydrophobicContact CE3-CG2 4.38Å; W193-V197 HydrophobicContact CZ3-CB 4.47Å; W193-V197 HydrophobicContact CZ3-CG1 3.89Å; W193-V197 WeakPolarHBondContact O-CB 3.45Å; W193-V197 PolarHBondContact O-N 2.59Å; V197-Q211 PolarHBondContact O-OE1 2.89Å; V197-L214 HydrophobicContact CG1-CD1 4.36Å; V197-L214 HydrophobicContact CG1-CD2 4Å; V197-L214 VanDerWaalsContact O-CD1 3.26Å; V197-L214 WeakPolarHBondContact O-CD1 3.27Å
198	L	96.9	Very high	94.9	Very high	4 Å²	4	34.4 Å²	34.4	2%	0.021	19%	0.186	C	C	.	.	S	Bend	trans	-95.5	-19.1	-176.7	-62.4	-179.3	0	0	0	114.1	W136 W193 I200 Q211 L214 M446	W136-L198 HydrophobicContact CZ2-CD2 4.31Å; W193-L198 HydrophobicContact CD2-CD1 4.02Å; W193-L198 HydrophobicContact CD2-CG 4.16Å; W193-L198 VanDerWaalsContact CE2-CD1 3.5Å; W193-L198 HydrophobicContact CE3-CG 4.45Å; W193-L198 HydrophobicContact CG-CD1 4.31Å; W193-L198 HydrophobicContact CH2-CD2 4.31Å; W193-L198 HydrophobicContact CZ2-CD1 3.9Å; W193-L198 HydrophobicContact CZ2-CD2 4.29Å; W193-L198 HydrophobicContact CZ2-CG 4.29Å; W193-L198 WeakPolarHBondContact O-CB 3.45Å; W193-L198 WeakPolarHBondContact O-CG 3.43Å; W193-L198 PolarHBondContact O-N 3.43Å; L198-I200 HydrophobicContact CB-CB 3.96Å; L198-I200 HydrophobicContact CD1-CD1 4.4Å; L198-I200 WeakPolarHBondContact O-CA 3.32Å; L198-I200 PolarHBondContact O-N 3.06Å; L198-Q211 PolarHBondContact O-NE2 2.64Å; L198-Q211 PolarHBondContact O-OE1 3Å; L198-L214 HydrophobicContact CD2-CD1 4.44Å; L198-M446 HydrophobicContact CD1-CB 4.15Å; L198-M446 HydrophobicContact CD1-CE 3.69Å; L198-M446 HydrophobicContact CD1-CG 4.24Å
199	R	96.8	Very high	95.2	Very high	137 Å²	137	38.6 Å²	38.6	52%	0.517	21%	0.212	S	C	.	.			trans	39.7	44.9	-171.5	-62.5	175.4	-177.8	-168.7	0.2	111.2	E194 N195 Q211 N443	E194-R199 CarbonylContact O-C 2.96Å; E194-R199 VanDerWaalsContact O-CA 3.31Å; E194-R199 WeakPolarHBondContact O-CA 3.37Å; E194-R199 PolarHBondContact O-N 3.16Å; N195-R199 WeakPolarHBondContact O-CG 3.32Å; R199-Q211 VanDerWaalsContact CG-OE1 3.26Å; R199-N443 WeakPolarHBondContact CB-ND2 3.43Å; R199-N443 WeakPolarHBondContact O-CB 3.41Å; R199-N443 PolarHBondContact O-ND2 3.21Å
200	I	95.5	Very high	95.5	Very high	17 Å²	17	40.4 Å²	40.4	9%	0.087	22%	0.222	C	C	.	.			trans	-65.6	136.5	-154.2	-170.9	174.7	0	0	0	111.4	E194 L198 N443 M446 Y447 Y525	E194-I200 HydrophobicContact CB-CG2 3.79Å; E194-I200 HydrophobicContact CG-CG2 4.24Å; E194-I200 WeakPolarHBondContact O-CG2 3.31Å; E194-I200 PolarHBondContact O-N 2.89Å; L198-I200 HydrophobicContact CB-CB 3.96Å; L198-I200 HydrophobicContact CD1-CD1 4.4Å; L198-I200 WeakPolarHBondContact O-CA 3.32Å; L198-I200 PolarHBondContact O-N 3.06Å; I200-N443 CarbonylContact C-O 3.59Å; I200-N443 WeakPolarHBondContact CA-O 3.34Å; I200-M446 HydrophobicContact CD1-CB 3.9Å; I200-M446 HydrophobicContact CD1-CG 4.01Å; I200-M446 HydrophobicContact CG1-CB 4.48Å; I200-Y447 HydrophobicContact CD1-CE2 4.23Å; I200-Y447 HydrophobicContact CG1-CE2 3.98Å; I200-Y525 HydrophobicContact CD1-CE1 3.77Å
201	S	96.1	Very high	95.9	Very high	18 Å²	18	40.2 Å²	40.2	13%	0.126	22%	0.221	C	C	.	.			trans	-78.2	179.3	177.9	78.1	0	0	0	0	112.2	G203 N206 N443 G444 Y447 R527	S201-G203 VanDerWaalsContact C-N 3.3Å; S201-G203 PolarHBondContact O-N 3.18Å; S201-G203 PolarHBondContact OG-N 3.14Å; S201-G203 PolarHBondContact OG-O 2.93Å; S201-G203 VanDerWaalsContact OG-O 3.05Å; S201-N206 WeakPolarHBondContact CB-O 3.39Å; S201-N206 PolarHBondContact OG-O 3.45Å; S201-N443 PolarHBondContact N-O 2.56Å; S201-G444 VanDerWaalsContact OG-CA 3.28Å; S201-G444 WeakPolarHBondContact OG-CA 3.29Å; S201-Y447 WeakPolarHBondContact O-CE2 3.41Å; S201-Y447 PolarHBondContact O-OH 3.1Å; S201-R527 PolarHBondContact O-NH1 2.79Å; S201-R527 VanDerWaalsContact O-NH1 3.11Å
202	N	93.1	Very high	96.1	Very high	105 Å²	105	49.8 Å²	49.8	56%	0.561	26%	0.257	S	S	*	.	S	Bend	trans	-75.2	-14.5	-179.6	-78.9	-40.3	0	0	0	114.8	K530	N202-K530 PolarHBondContact OD1-NZ 2.86Å
203	G	94.2	Very high	96.1	Very high	2 Å²	2	51.4 Å²	51.4	2%	0.021	27%	0.266	C	S	.	.	S	Bend	trans	170.7	175.9	-175.6	0	0	0	0	0	112.2	S201 D205 N206 Y447 Y534	S201-G203 VanDerWaalsContact C-N 3.3Å; S201-G203 PolarHBondContact O-N 3.18Å; S201-G203 PolarHBondContact OG-N 3.14Å; S201-G203 PolarHBondContact OG-O 2.93Å; S201-G203 VanDerWaalsContact OG-O 3.05Å; G203-D205 VanDerWaalsContact C-N 3.26Å; G203-D205 PolarHBondContact O-N 3.29Å; G203-N206 PolarHBondContact O-N 3.28Å; G203-Y447 VanDerWaalsContact C-CD2 3.5Å; G203-Y447 VanDerWaalsContact CA-CE2 3.42Å; G203-Y534 WeakPolarHBondContact CA-OH 3.34Å
204	I	95.9	Very high	96.3	Very high	7 Å²	7	51.4 Å²	51.4	4%	0.036	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-27.4	-175.5	-162.2	172.5	0	0	0	113.5	N206 L207 Y447 I448 L451 Y534 F536 P537 W539	I204-N206 PolarHBondContact O-N 2.89Å; I204-L207 VanDerWaalsContact O-CD2 3.26Å; I204-L207 WeakPolarHBondContact O-CD2 3.39Å; I204-Y447 HydrophobicContact CB-CG 4.46Å; I204-I448 HydrophobicContact CD1-CG1 4.24Å; I204-I448 HydrophobicContact CG1-CG1 4.12Å; I204-L451 HydrophobicContact CD1-CD2 4.49Å; I204-Y534 WeakPolarHBondContact CG2-OH 3.29Å; I204-Y534 PolarHBondContact N-OH 3.34Å; I204-F536 HydrophobicContact CD1-CD1 4.46Å; I204-F536 HydrophobicContact CD1-CE1 4.39Å; I204-P537 HydrophobicContact CG2-CG 3.53Å; I204-W539 HydrophobicContact CD1-CH2 4.12Å; I204-W539 HydrophobicContact CG1-CH2 4.08Å; I204-W539 HydrophobicContact CG1-CZ2 4.49Å; I204-W539 HydrophobicContact CG2-CH2 4.03Å; I204-W539 HydrophobicContact CG2-CZ2 3.62Å
205	D	95.1	Very high	96.5	Very high	95 Å²	95	51.5 Å²	51.5	51%	0.508	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-17.5	175.7	-52.9	-73.5	0	0	0	113	G203 W539	G203-D205 VanDerWaalsContact C-N 3.26Å; G203-D205 PolarHBondContact O-N 3.29Å; D205-W539 VanDerWaalsContact OD1-CE2 3.32Å; D205-W539 VanDerWaalsContact OD1-CZ2 3.22Å; D205-W539 WeakPolarHBondContact OD1-CZ2 3.27Å; D205-W539 PolarHBondContact OD1-NE1 2.96Å
206	N	95.8	Very high	96.6	Very high	92 Å²	92	54.7 Å²	54.7	49%	0.492	28%	0.283	S	S	.	.			trans	-111.1	71.9	-177.7	-64.4	-60.4	0	0	0	110.3	S201 G203 I204 G208	S201-N206 WeakPolarHBondContact CB-O 3.39Å; S201-N206 PolarHBondContact OG-O 3.45Å; G203-N206 PolarHBondContact O-N 3.28Å; I204-N206 PolarHBondContact O-N 2.89Å; N206-G208 VanDerWaalsContact C-N 3.25Å; N206-G208 PolarHBondContact O-N 2.6Å
207	L	94.4	Very high	96.7	Very high	65 Å²	65	52.6 Å²	52.6	34%	0.34	28%	0.277	S	S	.	.			trans	-62.7	-32.3	-176.9	-63	-176.3	0	0	0	113.3	I204 T442 N443 G444 I448	I204-L207 VanDerWaalsContact O-CD2 3.26Å; I204-L207 WeakPolarHBondContact O-CD2 3.39Å; L207-T442 VanDerWaalsContact O-CB 3.28Å; L207-T442 WeakPolarHBondContact O-CB 3.34Å; L207-T442 PolarHBondContact O-OG1 2.72Å; L207-N443 WeakPolarHBondContact O-CB 3.46Å; L207-N443 PolarHBondContact O-N 2.88Å; L207-N443 VanDerWaalsContact O-N 3.08Å; L207-G444 PolarHBondContact O-N 2.88Å; L207-I448 HydrophobicContact CD1-CD1 4.45Å; L207-I448 HydrophobicContact CD2-CD1 3.5Å; L207-I448 HydrophobicContact CD2-CG1 4.16Å
208	G	96.5	Very high	96.8	Very high	59 Å²	59	52.6 Å²	52.6	61%	0.608	28%	0.277	S	S	*	.			trans	65.6	-144.2	-176.8	0	0	0	0	0	111.7	N206	N206-G208 VanDerWaalsContact C-N 3.25Å; N206-G208 PolarHBondContact O-N 2.6Å
209	T	97.6	Very high	96.9	Very high	96 Å²	96	56 Å²	56	59%	0.589	29%	0.294	S	S	*	.			trans	-107	162.3	-178	59.9	0	0	0	0	111.2	T442 N443	T209-T442 CarbonylContact O-C 3.55Å; T209-T442 WeakPolarHBondContact O-CA 3.38Å; T209-N443 PolarHBondContact N-OD1 3.31Å; T209-N443 PolarHBondContact O-N 3.23Å; T209-N443 VanDerWaalsContact O-N 3.14Å; T209-N443 PolarHBondContact O-OD1 2.91Å; T209-N443 PolarHBondContact OG1-OD1 3.18Å
210	V	98.4	Very high	97	Very high	39 Å²	39	52.5 Å²	52.5	24%	0.236	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-67.2	131.7	170.5	174.8	0	0	0	0	109.1	W212 A215 L438 V441 T442	V210-W212 PolarHBondContact O-N 3.01Å; V210-A215 HydrophobicContact CG1-CB 3.7Å; V210-L438 HydrophobicContact CG1-CD2 4.1Å; V210-V441 HydrophobicContact CG1-CG2 4.29Å; V210-T442 HydrophobicContact CG2-CG2 4.01Å
211	Q	98.2	Very high	97.1	Very high	4 Å²	4	51.7 Å²	51.7	2%	0.019	28%	0.282	C	S	.	.			trans	-79.7	103.5	172.4	-66.8	-178.1	90.5	0	0	109.5	V197 L198 R199 D213 L214 A215 V441 T442	V197-Q211 PolarHBondContact O-OE1 2.89Å; L198-Q211 PolarHBondContact O-NE2 2.64Å; L198-Q211 PolarHBondContact O-OE1 3Å; R199-Q211 VanDerWaalsContact CG-OE1 3.26Å; Q211-D213 VanDerWaalsContact C-N 3.27Å; Q211-D213 PolarHBondContact O-N 2.56Å; Q211-L214 HydrophobicContact CB-CB 4.17Å; Q211-L214 HydrophobicContact CB-CD1 4.35Å; Q211-L214 HydrophobicContact CB-CG 4.36Å; Q211-L214 PolarHBondContact O-N 3.45Å; Q211-L214 VanDerWaalsContact O-N 3.12Å; Q211-A215 PolarHBondContact O-N 3Å; Q211-V441 WeakPolarHBondContact CB-O 3.29Å; Q211-V441 PolarHBondContact N-O 3.22Å; Q211-T442 PolarHBondContact NE2-O 2.91Å
212	W	97.6	Very high	97.2	Very high	200 Å²	200	51.1 Å²	51.1	76%	0.758	28%	0.277	S	S	*	.	H	α-helix	trans	-56.9	-36.7	-169.1	-67.7	109.7	0	0	0	114.3	V210 A215 L216	V210-W212 PolarHBondContact O-N 3.01Å; W212-A215 PolarHBondContact O-N 3.25Å; W212-L216 VanDerWaalsContact O-CG 3.26Å; W212-L216 WeakPolarHBondContact O-CG 3.25Å; W212-L216 PolarHBondContact O-N 3.43Å
213	D	97.6	Very high	97.5	Very high	39 Å²	39	49.1 Å²	49.1	21%	0.209	27%	0.268	C	S	.	.	H	α-helix	trans	-74.9	-36.4	179	60.9	-32.7	0	0	0	113	H139 R196 Q211 L216 C217	H139-D213 IonicContact CD2-OD2 3.77Å; H139-D213 PolarHBondContact CD2-OD2 3.15Å; H139-D213 IonicContact NE2-OD2 3.7Å; H139-D213 PolarHBondContact NE2-OD2 2.97Å; R196-D213 IonicContact CZ-OD2 2.71Å; R196-D213 IonicContact NH1-OD1 2.69Å; R196-D213 IonicContact NH1-OD2 3.16Å; R196-D213 PolarHBondContact NH1-OD2 3.11Å; R196-D213 IonicContact NH2-OD2 2.96Å; R196-D213 PolarHBondContact NH2-OD2 3.3Å; Q211-D213 VanDerWaalsContact C-N 3.27Å; Q211-D213 PolarHBondContact O-N 2.56Å; D213-L216 PolarHBondContact O-N 3.5Å; D213-C217 PolarHBondContact O-N 3.41Å; D213-C217 PolarHBondContact O-SG 2.93Å
214	L	98.5	Very high	97.7	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-66	-38.9	168.1	-72.8	-172.4	0	0	0	111.9	H139 V197 L198 Q211 L216 C217 L218 V441	H139-L214 HydrophobicContact CB-CD2 3.98Å; V197-L214 HydrophobicContact CG1-CD1 4.36Å; V197-L214 HydrophobicContact CG1-CD2 4Å; V197-L214 VanDerWaalsContact O-CD1 3.26Å; V197-L214 WeakPolarHBondContact O-CD1 3.27Å; L198-L214 HydrophobicContact CD2-CD1 4.44Å; Q211-L214 HydrophobicContact CB-CB 4.17Å; Q211-L214 HydrophobicContact CB-CD1 4.35Å; Q211-L214 HydrophobicContact CB-CG 4.36Å; Q211-L214 PolarHBondContact O-N 3.45Å; Q211-L214 VanDerWaalsContact O-N 3.12Å; L214-L216 VanDerWaalsContact C-N 3.31Å; L214-L216 PolarHBondContact O-N 2.88Å; L214-C217 PolarHBondContact O-N 2.89Å; L214-L218 VanDerWaalsContact O-CB 3.31Å; L214-L218 WeakPolarHBondContact O-CB 3.3Å; L214-L218 PolarHBondContact O-N 3.45Å; L214-V441 HydrophobicContact CB-CB 3.93Å; L214-V441 HydrophobicContact CB-CG1 4.02Å; L214-V441 HydrophobicContact CD1-CB 4.42Å; L214-V441 HydrophobicContact CD1-CG1 4.47Å
215	A	98.7	Very high	97.8	Very high	3 Å²	3	51.4 Å²	51.4	3%	0.025	28%	0.279	C	S	.	.	H	α-helix	trans	-61.6	-39.9	174.8	0	0	0	0	0	111.6	V210 Q211 W212 L218 L219 L438 V441	V210-A215 HydrophobicContact CG1-CB 3.7Å; Q211-A215 PolarHBondContact O-N 3Å; W212-A215 PolarHBondContact O-N 3.25Å; A215-L218 PolarHBondContact O-N 3.23Å; A215-L219 WeakPolarHBondContact O-CB 3.37Å; A215-L219 PolarHBondContact O-N 2.71Å; A215-L438 HydrophobicContact CB-CD2 3.79Å; A215-V441 HydrophobicContact CB-CG2 4.43Å
216	L	98.7	Very high	97.9	Very high	114 Å²	114	49.2 Å²	49.2	60%	0.597	27%	0.265	S	S	*	.	H	α-helix	trans	-67.1	-40.5	173.5	-71.6	172	0	0	0	112.5	W212 D213 L214 L218 L219 L220	W212-L216 VanDerWaalsContact O-CG 3.26Å; W212-L216 WeakPolarHBondContact O-CG 3.25Å; W212-L216 PolarHBondContact O-N 3.43Å; D213-L216 PolarHBondContact O-N 3.5Å; L214-L216 VanDerWaalsContact C-N 3.31Å; L214-L216 PolarHBondContact O-N 2.88Å; L216-L218 VanDerWaalsContact C-N 3.33Å; L216-L219 PolarHBondContact O-N 2.93Å; L216-L220 WeakPolarHBondContact O-CB 3.41Å; L216-L220 PolarHBondContact O-N 3.49Å
217	C	98.8	Very high	97.9	Very high	9 Å²	9	50 Å²	50	6%	0.061	27%	0.269	C	S	.	.	H	α-helix	trans	-63.4	-40.2	174.2	-67.7	0	0	0	0	111.7	G135 F138 D213 L214 L220 A221	G135-C217 VanDerWaalsContact O-CB 3.25Å; G135-C217 WeakPolarHBondContact O-CB 3.3Å; F138-C217 HydrophobicContact CB-CB 3.87Å; D213-C217 PolarHBondContact O-N 3.41Å; D213-C217 PolarHBondContact O-SG 2.93Å; L214-C217 PolarHBondContact O-N 2.89Å; C217-L220 WeakPolarHBondContact O-CB 3.33Å; C217-L220 PolarHBondContact O-N 3.25Å; C217-A221 PolarHBondContact O-N 3.44Å
218	L	98.7	Very high	97.9	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-65.8	-41.7	175.1	-177.1	62.6	0	0	0	111.4	T131 L214 A215 L216 L220 A221 W222 Y434 V441	T131-L218 HydrophobicContact CG2-CD1 3.8Å; T131-L218 WeakPolarHBondContact O-CD1 3.24Å; L214-L218 VanDerWaalsContact O-CB 3.31Å; L214-L218 WeakPolarHBondContact O-CB 3.3Å; L214-L218 PolarHBondContact O-N 3.45Å; A215-L218 PolarHBondContact O-N 3.23Å; L216-L218 VanDerWaalsContact C-N 3.33Å; L218-L220 VanDerWaalsContact C-N 3.33Å; L218-L220 PolarHBondContact O-N 3.26Å; L218-A221 PolarHBondContact O-N 2.89Å; L218-W222 VanDerWaalsContact O-CD1 3.29Å; L218-W222 PolarHBondContact O-N 3.43Å; L218-Y434 HydrophobicContact CB-CE2 4.29Å; L218-Y434 HydrophobicContact CD2-CD2 3.97Å; L218-Y434 HydrophobicContact CD2-CE2 4.15Å; L218-Y434 HydrophobicContact CG-CD2 3.87Å; L218-Y434 HydrophobicContact CG-CE2 4.1Å; L218-V441 HydrophobicContact CD2-CG1 4.27Å; L218-V441 HydrophobicContact CD2-CG2 4.43Å
219	L	98.7	Very high	97.7	Very high	74 Å²	74	44.5 Å²	44.5	39%	0.387	23%	0.227	S	C	.	.	H	α-helix	trans	-62.1	-41.1	174.7	-179	64.1	0	0	0	111.4	A215 L216 W222 T223 Y434	A215-L219 WeakPolarHBondContact O-CB 3.37Å; A215-L219 PolarHBondContact O-N 2.71Å; L216-L219 PolarHBondContact O-N 2.93Å; L219-W222 PolarHBondContact O-N 3.45Å; L219-T223 WeakPolarHBondContact O-CB 3.31Å; L219-T223 PolarHBondContact O-N 3.39Å; L219-T223 PolarHBondContact O-OG1 3.08Å; L219-Y434 HydrophobicContact CB-CE2 3.83Å; L219-Y434 HydrophobicContact CD1-CE2 4.32Å
220	L	98.8	Very high	97.6	Very high	65 Å²	65	40.6 Å²	40.6	34%	0.34	20%	0.204	S	C	.	.	H	α-helix	trans	-60.6	-47.1	174.6	176	62.2	0	0	0	111.3	F138 F142 L216 C217 L218 W222 T223 I224	F138-L220 HydrophobicContact CD1-CD2 3.74Å; F138-L220 HydrophobicContact CE1-CD2 3.86Å; F138-L220 HydrophobicContact CE1-CG 4.34Å; F138-L220 HydrophobicContact CG-CD2 4.2Å; F138-L220 HydrophobicContact CZ-CD2 4.39Å; F138-L220 HydrophobicContact CZ-CG 4.41Å; F142-L220 HydrophobicContact CE2-CD2 4.1Å; F142-L220 HydrophobicContact CZ-CD2 3.66Å; L216-L220 WeakPolarHBondContact O-CB 3.41Å; L216-L220 PolarHBondContact O-N 3.49Å; C217-L220 WeakPolarHBondContact O-CB 3.33Å; C217-L220 PolarHBondContact O-N 3.25Å; L218-L220 VanDerWaalsContact C-N 3.33Å; L218-L220 PolarHBondContact O-N 3.26Å; L220-W222 PolarHBondContact O-N 3.13Å; L220-T223 WeakPolarHBondContact O-CB 3.47Å; L220-T223 PolarHBondContact O-N 3.13Å; L220-I224 HydrophobicContact CD1-CD1 4.04Å; L220-I224 HydrophobicContact CD1-CG1 4.36Å; L220-I224 HydrophobicContact CG-CD1 4.09Å; L220-I224 WeakPolarHBondContact O-CG1 3.23Å; L220-I224 PolarHBondContact O-N 2.98Å
221	A	98.6	Very high	97.2	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-57	-51.3	176.9	0	0	0	0	0	111.5	T131 L134 F138 C217 L218 T223 I224 I225	T131-A221 HydrophobicContact CG2-CB 3.8Å; L134-A221 HydrophobicContact CB-CB 4.05Å; L134-A221 HydrophobicContact CD1-CB 4.5Å; F138-A221 HydrophobicContact CD2-CB 4.08Å; F138-A221 HydrophobicContact CE2-CB 3.74Å; C217-A221 PolarHBondContact O-N 3.44Å; L218-A221 PolarHBondContact O-N 2.89Å; A221-T223 VanDerWaalsContact C-N 3.29Å; A221-T223 PolarHBondContact O-N 3.2Å; A221-I224 PolarHBondContact O-N 3Å; A221-I225 WeakPolarHBondContact O-CD1 3.48Å; A221-I225 VanDerWaalsContact O-CG1 3.25Å; A221-I225 WeakPolarHBondContact O-CG1 3.45Å; A221-I225 PolarHBondContact O-N 3.46Å
222	W	98.5	Very high	96.8	Very high	6 Å²	6	47.4 Å²	47.4	2%	0.023	23%	0.225	C	C	.	.	H	α-helix	trans	-63.4	-33.7	178	-81	112.1	0	0	0	113.4	T131 L218 L219 L220 I225 F226 M397 V401 C430 Y434	T131-W222 HydrophobicContact CG2-CD2 4.16Å; T131-W222 HydrophobicContact CG2-CG 4.3Å; T131-W222 HydrophobicContact CG2-CZ2 4.09Å; T131-W222 WeakPolarHBondContact OG1-CZ2 3.26Å; L218-W222 VanDerWaalsContact O-CD1 3.29Å; L218-W222 PolarHBondContact O-N 3.43Å; L219-W222 PolarHBondContact O-N 3.45Å; L220-W222 PolarHBondContact O-N 3.13Å; W222-I225 HydrophobicContact CE3-CB 4.42Å; W222-I225 HydrophobicContact CE3-CD1 4.25Å; W222-I225 HydrophobicContact CE3-CG2 4.25Å; W222-I225 HydrophobicContact CZ3-CG2 4.23Å; W222-I225 PolarHBondContact O-N 3.49Å; W222-F226 WeakPolarHBondContact O-CB 3.45Å; W222-F226 PolarHBondContact O-N 2.96Å; W222-M397 HydrophobicContact CH2-CE 3.55Å; W222-M397 HydrophobicContact CZ2-CE 4.15Å; W222-M397 HydrophobicContact CZ3-CE 4.03Å; W222-V401 HydrophobicContact CH2-CG2 4.31Å; W222-V401 HydrophobicContact CZ3-CG2 3.93Å; W222-C430 HydrophobicContact CD2-CB 4.39Å; W222-C430 HydrophobicContact CE3-CB 3.7Å; W222-C430 HydrophobicContact CZ3-CB 4.26Å; W222-Y434 AromaticContact CD1-CD2 3.87Å
223	T	98.5	Very high	96.5	Very high	62 Å²	62	38.1 Å²	38.1	38%	0.38	19%	0.19	S	C	.	.	H	α-helix	trans	-64.5	-45.2	175.2	-59.3	0	0	0	0	110.7	L219 L220 A221 F226 L227	L219-T223 WeakPolarHBondContact O-CB 3.31Å; L219-T223 PolarHBondContact O-N 3.39Å; L219-T223 PolarHBondContact O-OG1 3.08Å; L220-T223 WeakPolarHBondContact O-CB 3.47Å; L220-T223 PolarHBondContact O-N 3.13Å; A221-T223 VanDerWaalsContact C-N 3.29Å; A221-T223 PolarHBondContact O-N 3.2Å; T223-F226 PolarHBondContact O-N 3.41Å; T223-L227 HydrophobicContact CG2-CD1 4.08Å; T223-L227 HydrophobicContact CG2-CG 4.49Å; T223-L227 WeakPolarHBondContact O-CB 3.47Å; T223-L227 VanDerWaalsContact O-CG 3.23Å; T223-L227 WeakPolarHBondContact O-CG 3.4Å; T223-L227 PolarHBondContact O-N 3.32Å
224	I	97.8	Very high	96	Very high	58 Å²	58	41 Å²	41	30%	0.297	20%	0.201	S	C	.	.	H	α-helix	trans	-63.5	-45.7	177.4	-65.5	163.9	0	0	0	110.7	F138 L220 A221 F226 L227 A228 I394	F138-I224 HydrophobicContact CE1-CD1 4.24Å; F138-I224 HydrophobicContact CE2-CD1 4.45Å; F138-I224 HydrophobicContact CZ-CD1 3.62Å; L220-I224 HydrophobicContact CD1-CD1 4.04Å; L220-I224 HydrophobicContact CD1-CG1 4.36Å; L220-I224 HydrophobicContact CG-CD1 4.09Å; L220-I224 WeakPolarHBondContact O-CG1 3.23Å; L220-I224 PolarHBondContact O-N 2.98Å; A221-I224 PolarHBondContact O-N 3Å; I224-F226 PolarHBondContact O-N 3.37Å; I224-L227 PolarHBondContact O-N 3.49Å; I224-A228 PolarHBondContact O-N 3.33Å; I224-I394 HydrophobicContact CD1-CD1 4.41Å; I224-I394 HydrophobicContact CG2-CD1 3.97Å
225	I	97.6	Very high	95.6	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-58.8	-48.5	177.1	-66.7	160.4	0	0	0	110.8	T131 L134 A221 W222 L227 A228 I229 M397 V401	T131-I225 HydrophobicContact CG2-CD1 3.91Å; L134-I225 HydrophobicContact CD1-CD1 4.3Å; A221-I225 WeakPolarHBondContact O-CD1 3.48Å; A221-I225 VanDerWaalsContact O-CG1 3.25Å; A221-I225 WeakPolarHBondContact O-CG1 3.45Å; A221-I225 PolarHBondContact O-N 3.46Å; W222-I225 HydrophobicContact CE3-CB 4.42Å; W222-I225 HydrophobicContact CE3-CD1 4.25Å; W222-I225 HydrophobicContact CE3-CG2 4.25Å; W222-I225 HydrophobicContact CZ3-CG2 4.23Å; W222-I225 PolarHBondContact O-N 3.49Å; I225-L227 PolarHBondContact O-N 2.87Å; I225-A228 PolarHBondContact O-N 2.94Å; I225-I229 HydrophobicContact CG2-CD1 3.66Å; I225-I229 VanDerWaalsContact O-CG1 3.32Å; I225-I229 WeakPolarHBondContact O-CG1 3Å; I225-I229 PolarHBondContact O-N 2.94Å; I225-I229 VanDerWaalsContact O-N 3.12Å; I225-M397 HydrophobicContact CD1-CB 3.56Å; I225-M397 HydrophobicContact CD1-CE 4.2Å; I225-M397 HydrophobicContact CD1-CG 3.73Å; I225-M397 HydrophobicContact CG1-CB 3.86Å; I225-M397 HydrophobicContact CG2-CB 4.37Å; I225-V401 HydrophobicContact CG2-CG2 4.12Å
226	F	97.6	Very high	95.2	Very high	48 Å²	48	42.8 Å²	42.8	21%	0.211	21%	0.212	C	C	.	.	H	α-helix	trans	-57.2	-50	176.7	167.9	-105.1	0	0	0	111.9	W222 T223 I224 A228 I229 C230 V423 V426 A427	W222-F226 WeakPolarHBondContact O-CB 3.45Å; W222-F226 PolarHBondContact O-N 2.96Å; T223-F226 PolarHBondContact O-N 3.41Å; I224-F226 PolarHBondContact O-N 3.37Å; F226-A228 VanDerWaalsContact C-N 3.27Å; F226-A228 PolarHBondContact O-N 2.91Å; F226-I229 PolarHBondContact O-N 2.91Å; F226-C230 HydrophobicContact CD2-CB 4.12Å; F226-C230 HydrophobicContact CE2-CB 3.73Å; F226-C230 HydrophobicContact CZ-CB 3.97Å; F226-C230 WeakPolarHBondContact O-CB 3.45Å; F226-C230 PolarHBondContact O-N 3.42Å; F226-C230 PolarHBondContact O-SG 3.14Å; F226-V423 HydrophobicContact CE2-CG1 4.18Å; F226-V423 HydrophobicContact CZ-CG1 3.83Å; F226-V426 HydrophobicContact CD2-CB 4.43Å; F226-V426 HydrophobicContact CD2-CG1 3.94Å; F226-V426 HydrophobicContact CE2-CG1 4.47Å; F226-A427 HydrophobicContact CD2-CB 4.18Å; F226-A427 HydrophobicContact CE2-CB 3.63Å; F226-A427 HydrophobicContact CZ-CB 4.25Å
227	L	95.9	Very high	94.7	Very high	109 Å²	109	37.7 Å²	37.7	57%	0.571	19%	0.186	S	C	*	.	H	α-helix	trans	-62.7	-33.3	-178.1	-70	173.5	0	0	0	112.6	T223 I224 I225	T223-L227 HydrophobicContact CG2-CD1 4.08Å; T223-L227 HydrophobicContact CG2-CG 4.49Å; T223-L227 WeakPolarHBondContact O-CB 3.47Å; T223-L227 VanDerWaalsContact O-CG 3.23Å; T223-L227 WeakPolarHBondContact O-CG 3.4Å; T223-L227 PolarHBondContact O-N 3.32Å; I224-L227 PolarHBondContact O-N 3.49Å; I225-L227 PolarHBondContact O-N 2.87Å
228	A	94.2	Very high	94.4	Very high	9 Å²	9	44.8 Å²	44.8	7%	0.074	22%	0.216	C	C	.	.	H	α-helix	trans	-73.3	-35.1	177.4	0	0	0	0	0	113	I224 I225 F226 T235 S236 F398	I224-A228 PolarHBondContact O-N 3.33Å; I225-A228 PolarHBondContact O-N 2.94Å; F226-A228 VanDerWaalsContact C-N 3.27Å; F226-A228 PolarHBondContact O-N 2.91Å; A228-T235 WeakPolarHBondContact O-CB 3.2Å; A228-T235 PolarHBondContact O-OG1 2.72Å; A228-S236 PolarHBondContact O-N 2.71Å; A228-S236 VanDerWaalsContact O-N 3.16Å; A228-F398 HydrophobicContact CB-CD1 3.87Å; A228-F398 HydrophobicContact CB-CE1 3.22Å; A228-F398 HydrophobicContact CB-CE2 4.26Å; A228-F398 HydrophobicContact CB-CZ 3.43Å; A228-F398 VanDerWaalsContact CB-CZ 3.43Å
229	I	93.8	Very high	94.1	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-100.4	-23	-170	-59.8	174.5	0	0	0	113.5	I225 F226 R231 G232 F398 V401 E402 V426	I225-I229 HydrophobicContact CG2-CD1 3.66Å; I225-I229 VanDerWaalsContact O-CG1 3.32Å; I225-I229 WeakPolarHBondContact O-CG1 3Å; I225-I229 PolarHBondContact O-N 2.94Å; I225-I229 VanDerWaalsContact O-N 3.12Å; F226-I229 PolarHBondContact O-N 2.91Å; I229-R231 PolarHBondContact O-N 2.91Å; I229-G232 WeakPolarHBondContact O-CA 3.46Å; I229-G232 PolarHBondContact O-N 2.77Å; I229-F398 HydrophobicContact CD1-CD1 4.24Å; I229-F398 HydrophobicContact CG1-CD1 4.19Å; I229-V401 HydrophobicContact CD1-CB 3.55Å; I229-V401 HydrophobicContact CD1-CG1 3.74Å; I229-V401 HydrophobicContact CD1-CG2 4.43Å; I229-V401 HydrophobicContact CG2-CG1 4.41Å; I229-E402 WeakPolarHBondContact CG2-OE2 3.16Å; I229-V426 HydrophobicContact CB-CG1 4.27Å; I229-V426 HydrophobicContact CG2-CG1 4.04Å; I229-V426 HydrophobicContact CG2-CG2 4.37Å
230	C	94.2	Very high	93.9	Very high	13 Å²	13	44 Å²	44	9%	0.088	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-24.2	-172.4	66.8	0	0	0	0	113.8	F226 V423	F226-C230 HydrophobicContact CD2-CB 4.12Å; F226-C230 HydrophobicContact CE2-CB 3.73Å; F226-C230 HydrophobicContact CZ-CB 3.97Å; F226-C230 WeakPolarHBondContact O-CB 3.45Å; F226-C230 PolarHBondContact O-N 3.42Å; F226-C230 PolarHBondContact O-SG 3.14Å; C230-V423 HydrophobicContact CB-CG1 4.47Å; C230-V423 HydrophobicContact CB-CG2 4.17Å; C230-V423 WeakPolarHBondContact O-CG2 3.46Å
231	R	90.8	Very high	93.7	Very high	187 Å²	187	44.6 Å²	44.6	71%	0.706	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.8	12.1	174.6	-62.8	-176.6	179.3	176.7	0.7	114.2	I229 T235	I229-R231 PolarHBondContact O-N 2.91Å; R231-T235 HydrophobicContact CB-CG2 3.67Å; R231-T235 HydrophobicContact CG-CG2 4.42Å
232	G	90	Very high	93.6	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	71	-161	176.8	0	0	0	0	0	115.1	I229 K234 T235 S236	I229-G232 WeakPolarHBondContact O-CA 3.46Å; I229-G232 PolarHBondContact O-N 2.77Å; G232-K234 PolarHBondContact O-N 3.33Å; G232-T235 PolarHBondContact O-N 3.36Å; G232-T235 PolarHBondContact O-OG1 3.28Å; G232-S236 PolarHBondContact O-N 3.04Å; G232-S236 PolarHBondContact O-OG 3.32Å
233	I	90.6	Very high	93.5	Very high	5 Å²	5	50.5 Å²	50.5	3%	0.026	24%	0.244	C	C	.	.	H	α-helix	trans	-60.5	-17.4	-171.3	63.1	160.6	0	0	0	115.2	D35 W37 T235 S236 G237 Y309 E402	D35-I233 HydrophobicContact CB-CD1 3.91Å; D35-I233 HydrophobicContact CB-CG1 3.81Å; W37-I233 HydrophobicContact CD2-CD1 4.11Å; W37-I233 HydrophobicContact CE3-CB 4.34Å; W37-I233 HydrophobicContact CE3-CD1 3.92Å; W37-I233 HydrophobicContact CH2-CB 3.72Å; W37-I233 HydrophobicContact CH2-CD1 4.29Å; W37-I233 HydrophobicContact CH2-CG2 3.71Å; W37-I233 HydrophobicContact CZ2-CD1 4.45Å; W37-I233 HydrophobicContact CZ2-CG2 4.27Å; W37-I233 HydrophobicContact CZ3-CB 3.62Å; W37-I233 HydrophobicContact CZ3-CD1 4.03Å; W37-I233 HydrophobicContact CZ3-CG1 4.35Å; W37-I233 HydrophobicContact CZ3-CG2 4.16Å; I233-T235 VanDerWaalsContact C-N 3.32Å; I233-T235 PolarHBondContact O-N 3.42Å; I233-S236 WeakPolarHBondContact CA-OG 3.33Å; I233-G237 WeakPolarHBondContact O-CA 3.18Å; I233-G237 PolarHBondContact O-N 3.35Å; I233-Y309 HydrophobicContact CD1-CD1 3.94Å; I233-Y309 HydrophobicContact CD1-CD2 3.99Å; I233-Y309 HydrophobicContact CD1-CG 3.62Å; I233-Y309 HydrophobicContact CG2-CD2 3.63Å; I233-Y309 HydrophobicContact CG2-CE2 3.39Å; I233-Y309 HydrophobicContact CG2-CG 4.34Å; I233-E402 HydrophobicContact CG2-CG 3.97Å
234	K	87.3	Confident	93.3	Very high	98 Å²	98	47.8 Å²	47.8	43%	0.426	23%	0.228	S	C	.	.	H	α-helix	trans	-68.2	-30.8	176.7	-68.6	173.6	-174.8	133.4	0	112.8	D35 G232 K238	D35-K234 VanDerWaalsContact OD1-CE 3.25Å; D35-K234 WeakPolarHBondContact OD1-CE 3.49Å; D35-K234 IonicContact OD1-NZ 3.91Å; D35-K234 PolarHBondContact OD1-NZ 3.33Å; D35-K234 WeakPolarHBondContact OD2-CE 3.11Å; D35-K234 IonicContact OD2-NZ 2.59Å; D35-K234 PolarHBondContact OD2-NZ 3.02Å; G232-K234 PolarHBondContact O-N 3.33Å; K234-K238 WeakPolarHBondContact O-CG 3.37Å
235	T	89	Confident	93.2	Very high	39 Å²	39	48 Å²	48	24%	0.239	23%	0.232	C	C	.	.	H	α-helix	trans	-95.5	-51.8	176.7	46.6	0	0	0	0	110.7	A228 R231 G232 I233 G237 K238 V239	A228-T235 WeakPolarHBondContact O-CB 3.2Å; A228-T235 PolarHBondContact O-OG1 2.72Å; R231-T235 HydrophobicContact CB-CG2 3.67Å; R231-T235 HydrophobicContact CG-CG2 4.42Å; G232-T235 PolarHBondContact O-N 3.36Å; G232-T235 PolarHBondContact O-OG1 3.28Å; I233-T235 VanDerWaalsContact C-N 3.32Å; I233-T235 PolarHBondContact O-N 3.42Å; T235-G237 VanDerWaalsContact C-N 3.33Å; T235-G237 PolarHBondContact O-N 2.96Å; T235-K238 PolarHBondContact O-N 2.99Å; T235-K238 VanDerWaalsContact O-N 3.09Å; T235-V239 WeakPolarHBondContact O-CG2 3.23Å; T235-V239 PolarHBondContact O-N 3.09Å; T235-V239 VanDerWaalsContact O-N 3.14Å
236	S	90.9	Very high	93.1	Very high	3 Å²	3	49.4 Å²	49.4	2%	0.021	24%	0.241	C	C	.	.	H	α-helix	trans	-60.3	-42.9	-178.1	57.1	0	0	0	0	111.7	A228 G232 I233 K238 V239 M240	A228-S236 PolarHBondContact O-N 2.71Å; A228-S236 VanDerWaalsContact O-N 3.16Å; G232-S236 PolarHBondContact O-N 3.04Å; G232-S236 PolarHBondContact O-OG 3.32Å; I233-S236 WeakPolarHBondContact CA-OG 3.33Å; S236-K238 VanDerWaalsContact C-N 3.26Å; S236-K238 PolarHBondContact O-N 2.9Å; S236-V239 PolarHBondContact O-N 3.31Å; S236-V239 VanDerWaalsContact O-N 3.1Å; S236-M240 VanDerWaalsContact O-CG 3.3Å; S236-M240 WeakPolarHBondContact O-CG 3.45Å; S236-M240 PolarHBondContact O-N 2.69Å
237	G	89.5	Confident	93.1	Very high	6 Å²	6	47.1 Å²	47.1	6%	0.062	23%	0.231	C	C	.	.	H	α-helix	trans	-58.7	-33.8	176.9	0	0	0	0	0	113.8	I233 T235 Y241	I233-G237 WeakPolarHBondContact O-CA 3.18Å; I233-G237 PolarHBondContact O-N 3.35Å; T235-G237 VanDerWaalsContact C-N 3.33Å; T235-G237 PolarHBondContact O-N 2.96Å; G237-Y241 WeakPolarHBondContact O-CD2 3.34Å
238	K	90.8	Very high	93.1	Very high	158 Å²	158	43.7 Å²	43.7	69%	0.687	21%	0.21	S	C	*	.	H	α-helix	trans	-73.8	-39.8	175.7	-69.3	-178.5	-177.6	-175.8	0	112.4	K234 T235 S236 M240 Y241	K234-K238 WeakPolarHBondContact O-CG 3.37Å; T235-K238 PolarHBondContact O-N 2.99Å; T235-K238 VanDerWaalsContact O-N 3.09Å; S236-K238 VanDerWaalsContact C-N 3.26Å; S236-K238 PolarHBondContact O-N 2.9Å; K238-M240 VanDerWaalsContact C-N 3.31Å; K238-Y241 PolarHBondContact O-N 2.9Å
239	V	93.9	Very high	93.2	Very high	54 Å²	54	48.2 Å²	48.2	33%	0.327	23%	0.232	S	C	.	.	H	α-helix	trans	-63.8	-42.1	178.2	179.2	0	0	0	0	109.6	T235 S236 Y241 I242 T243 F398	T235-V239 WeakPolarHBondContact O-CG2 3.23Å; T235-V239 PolarHBondContact O-N 3.09Å; T235-V239 VanDerWaalsContact O-N 3.14Å; S236-V239 PolarHBondContact O-N 3.31Å; S236-V239 VanDerWaalsContact O-N 3.1Å; V239-Y241 PolarHBondContact O-N 2.8Å; V239-Y241 VanDerWaalsContact O-N 3.15Å; V239-I242 PolarHBondContact O-N 3.35Å; V239-T243 HydrophobicContact CG1-CG2 3.69Å; V239-T243 PolarHBondContact O-N 3.49Å; V239-T243 PolarHBondContact O-OG1 3.03Å; V239-F398 HydrophobicContact CB-CE2 4.16Å; V239-F398 HydrophobicContact CG1-CE2 3.61Å; V239-F398 HydrophobicContact CG1-CZ 3.9Å
240	M	94.3	Very high	93.3	Very high	4 Å²	4	50.1 Å²	50.1	2%	0.02	24%	0.24	C	C	.	.	H	α-helix	trans	-56.6	-29	178.4	-72.2	176.5	116.2	0	0	114.1	I45 A46 F50 S236 K238 I242 T243 A244 D395 F398	I45-M240 HydrophobicContact CG2-CB 3.96Å; A46-M240 HydrophobicContact CB-SD 4.01Å; A46-M240 WeakPolarHBondContact O-CE 3.44Å; F50-M240 HydrophobicContact CB-CE 4.5Å; S236-M240 VanDerWaalsContact O-CG 3.3Å; S236-M240 WeakPolarHBondContact O-CG 3.45Å; S236-M240 PolarHBondContact O-N 2.69Å; K238-M240 VanDerWaalsContact C-N 3.31Å; M240-I242 PolarHBondContact O-N 3.38Å; M240-T243 VanDerWaalsContact CA-OG1 3.25Å; M240-T243 WeakPolarHBondContact CA-OG1 3.39Å; M240-A244 WeakPolarHBondContact O-CB 3.16Å; M240-A244 PolarHBondContact O-N 3.12Å; M240-D395 HydrophobicContact CE-CB 4.32Å; M240-F398 HydrophobicContact CE-CB 4.01Å; M240-F398 HydrophobicContact CE-CD2 4.5Å; M240-F398 HydrophobicContact CG-CD2 3.75Å; M240-F398 HydrophobicContact CG-CE2 4.45Å; M240-F398 HydrophobicContact SD-CB 4.35Å; M240-F398 HydrophobicContact SD-CD2 4.46Å
241	Y	95	Very high	93.4	Very high	77 Å²	77	49.5 Å²	49.5	30%	0.302	24%	0.236	S	C	.	.	H	α-helix	trans	-60.9	-32.8	173.4	-85.4	-89.4	0	0	0	113.2	I41 D42 I45 G237 K238 V239 T245	I41-Y241 HydrophobicContact CD1-CE1 3.94Å; I41-Y241 HydrophobicContact CG1-CE1 3.92Å; I41-Y241 VanDerWaalsContact CG1-OH 3.27Å; I41-Y241 WeakPolarHBondContact CG1-OH 3.42Å; D42-Y241 PolarHBondContact N-OH 3.11Å; D42-Y241 WeakPolarHBondContact OD1-CE2 3.38Å; D42-Y241 PolarHBondContact OD1-OH 2.95Å; I45-Y241 HydrophobicContact CG1-CD1 4.12Å; I45-Y241 HydrophobicContact CG1-CE1 3.87Å; I45-Y241 HydrophobicContact CG2-CD1 4.46Å; I45-Y241 HydrophobicContact CG2-CD2 4.32Å; I45-Y241 HydrophobicContact CG2-CG 4.23Å; G237-Y241 WeakPolarHBondContact O-CD2 3.34Å; K238-Y241 PolarHBondContact O-N 2.9Å; V239-Y241 PolarHBondContact O-N 2.8Å; V239-Y241 VanDerWaalsContact O-N 3.15Å; Y241-T245 WeakPolarHBondContact O-CG2 3.47Å; Y241-T245 PolarHBondContact O-OG1 3.45Å
242	I	95.4	Very high	93.7	Very high	117 Å²	117	44.5 Å²	44.5	60%	0.6	22%	0.223	S	C	*	.	H	α-helix	trans	-89.2	-50.4	179.4	-60.3	174.5	0	0	0	109	V239 M240 A244 T245 T246	V239-I242 PolarHBondContact O-N 3.35Å; M240-I242 PolarHBondContact O-N 3.38Å; I242-A244 PolarHBondContact O-N 2.87Å; I242-T245 PolarHBondContact O-N 3.35Å; I242-T245 PolarHBondContact O-OG1 3.46Å; I242-T246 WeakPolarHBondContact O-CB 3.14Å; I242-T246 PolarHBondContact O-N 3.08Å; I242-T246 PolarHBondContact O-OG1 2.94Å
243	T	96.3	Very high	94	Very high	13 Å²	13	47.2 Å²	47.2	8%	0.08	24%	0.239	C	C	.	.	H	α-helix	trans	-69.5	-31.5	-172	49.2	0	0	0	0	112.4	V239 M240 P247 L391 D395	V239-T243 HydrophobicContact CG1-CG2 3.69Å; V239-T243 PolarHBondContact O-N 3.49Å; V239-T243 PolarHBondContact O-OG1 3.03Å; M240-T243 VanDerWaalsContact CA-OG1 3.25Å; M240-T243 WeakPolarHBondContact CA-OG1 3.39Å; T243-P247 WeakPolarHBondContact O-CD 3.27Å; T243-P247 VanDerWaalsContact O-CG 3.3Å; T243-P247 WeakPolarHBondContact O-CG 3.32Å; T243-L391 HydrophobicContact CG2-CD2 3.82Å; T243-D395 VanDerWaalsContact CB-OD1 3.29Å; T243-D395 WeakPolarHBondContact CB-OD1 3.41Å; T243-D395 VanDerWaalsContact CB-OD2 3.28Å; T243-D395 WeakPolarHBondContact CB-OD2 3.21Å; T243-D395 PolarHBondContact OG1-OD1 2.9Å; T243-D395 PolarHBondContact OG1-OD2 2.93Å; T243-D395 VanDerWaalsContact OG1-OD2 3.1Å
244	A	95.2	Very high	94.2	Very high	6 Å²	6	47 Å²	47	5%	0.05	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-26.9	-179.6	0	0	0	0	0	113.1	M240 I242 Y248 D395	M240-A244 WeakPolarHBondContact O-CB 3.16Å; M240-A244 PolarHBondContact O-N 3.12Å; I242-A244 PolarHBondContact O-N 2.87Å; A244-Y248 WeakPolarHBondContact O-CE2 3.2Å; A244-D395 WeakPolarHBondContact CA-OD2 3.05Å; A244-D395 PolarHBondContact N-OD2 3.29Å
245	T	94.5	Very high	94.6	Very high	62 Å²	62	44.2 Å²	44.2	38%	0.38	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-31.7	-178.4	63.2	0	0	0	0	112.9	Y241 I242 Y248	Y241-T245 WeakPolarHBondContact O-CG2 3.47Å; Y241-T245 PolarHBondContact O-OG1 3.45Å; I242-T245 PolarHBondContact O-N 3.35Å; I242-T245 PolarHBondContact O-OG1 3.46Å; T245-Y248 WeakPolarHBondContact O-CB 3.29Å; T245-Y248 WeakPolarHBondContact O-CD2 3.36Å; T245-Y248 PolarHBondContact O-N 3Å
246	T	96.7	Very high	95	Very high	30 Å²	30	47 Å²	47	18%	0.184	24%	0.24	C	C	.	.	H	α-helix	trans	-61.9	-36.8	-176.6	-61.3	0	0	0	0	114	I242 Y248 I249 F250 L391	I242-T246 WeakPolarHBondContact O-CB 3.14Å; I242-T246 PolarHBondContact O-N 3.08Å; I242-T246 PolarHBondContact O-OG1 2.94Å; T246-Y248 PolarHBondContact O-N 3.06Å; T246-Y248 VanDerWaalsContact O-N 3.13Å; T246-I249 WeakPolarHBondContact O-CB 3.31Å; T246-I249 PolarHBondContact O-N 3.29Å; T246-F250 HydrophobicContact CG2-CD2 3.86Å; T246-F250 HydrophobicContact CG2-CE2 3.41Å; T246-F250 VanDerWaalsContact CG2-CE2 3.41Å; T246-F250 HydrophobicContact CG2-CZ 4.3Å; T246-F250 PolarHBondContact O-N 3.27Å; T246-L391 HydrophobicContact CG2-CD1 3.62Å
247	P	96.3	Very high	95.2	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-52.2	-34.1	174.1	-32.6	37.8	0	0	0	114.1	T243 I249 F250 M251 M388 L391 L392	T243-P247 WeakPolarHBondContact O-CD 3.27Å; T243-P247 VanDerWaalsContact O-CG 3.3Å; T243-P247 WeakPolarHBondContact O-CG 3.32Å; P247-I249 VanDerWaalsContact C-N 3.34Å; P247-I249 PolarHBondContact O-N 2.85Å; P247-F250 PolarHBondContact O-N 2.91Å; P247-M251 HydrophobicContact CB-CE 4.4Å; P247-M251 WeakPolarHBondContact O-CB 3.35Å; P247-M251 WeakPolarHBondContact O-CG 3.35Å; P247-M251 PolarHBondContact O-N 2.93Å; P247-M388 HydrophobicContact CB-CG 3.9Å; P247-L391 HydrophobicContact CG-CB 3.9Å; P247-L392 HydrophobicContact CB-CD1 4.25Å; P247-L392 HydrophobicContact CB-CD2 3.76Å; P247-L392 HydrophobicContact CB-CG 3.8Å; P247-L392 HydrophobicContact CG-CD2 3.78Å; P247-L392 HydrophobicContact CG-CG 3.77Å
248	Y	96.3	Very high	95.4	Very high	37 Å²	37	49.2 Å²	49.2	15%	0.145	25%	0.246	C	C	.	.	H	α-helix	trans	-65.6	-36.2	176.7	-66.4	-90.3	0	0	0	112.5	M48 I52 A244 T245 T246 F250 M251 I252 F329 T330 L333	M48-Y248 HydrophobicContact CE-CE2 4.37Å; I52-Y248 WeakPolarHBondContact CD1-OH 3.41Å; A244-Y248 WeakPolarHBondContact O-CE2 3.2Å; T245-Y248 WeakPolarHBondContact O-CB 3.29Å; T245-Y248 WeakPolarHBondContact O-CD2 3.36Å; T245-Y248 PolarHBondContact O-N 3Å; T246-Y248 PolarHBondContact O-N 3.06Å; T246-Y248 VanDerWaalsContact O-N 3.13Å; Y248-F250 VanDerWaalsContact C-N 3.34Å; Y248-M251 HydrophobicContact CD1-CE 3.85Å; Y248-M251 HydrophobicContact CE1-CE 4.23Å; Y248-M251 HydrophobicContact CG-CE 4.09Å; Y248-M251 PolarHBondContact O-N 3.43Å; Y248-I252 VanDerWaalsContact O-CB 3.29Å; Y248-I252 WeakPolarHBondContact O-CB 3.48Å; Y248-I252 WeakPolarHBondContact O-CD1 3.4Å; Y248-I252 WeakPolarHBondContact O-CG1 3.46Å; Y248-I252 PolarHBondContact O-N 3.43Å; Y248-F329 HydrophobicContact CD1-CE1 4.29Å; Y248-F329 HydrophobicContact CE1-CD1 4.11Å; Y248-F329 HydrophobicContact CE1-CE1 4.1Å; Y248-T330 WeakPolarHBondContact CE1-OG1 3.46Å; Y248-T330 PolarHBondContact OH-OG1 3.42Å; Y248-L333 HydrophobicContact CD1-CD2 4.2Å
249	I	97.2	Very high	95.6	Very high	104 Å²	104	44.4 Å²	44.4	53%	0.533	24%	0.236	S	C	.	.	H	α-helix	trans	-61.3	-47.5	175.2	-58.8	173.7	0	0	0	109.3	T246 P247 T253	T246-I249 WeakPolarHBondContact O-CB 3.31Å; T246-I249 PolarHBondContact O-N 3.29Å; P247-I249 VanDerWaalsContact C-N 3.34Å; P247-I249 PolarHBondContact O-N 2.85Å; I249-T253 VanDerWaalsContact O-CB 3.29Å; I249-T253 WeakPolarHBondContact O-CB 3.46Å; I249-T253 PolarHBondContact O-N 3.21Å; I249-T253 PolarHBondContact O-OG1 3.36Å
250	F	96.3	Very high	95.7	Very high	39 Å²	39	48.4 Å²	48.4	17%	0.171	25%	0.251	C	S	.	.	H	α-helix	trans	-68.1	-42.2	179.1	-67.8	-57.7	0	0	0	112.8	T246 P247 Y248 T253 L254 C384 I387 M388 L391	T246-F250 HydrophobicContact CG2-CD2 3.86Å; T246-F250 HydrophobicContact CG2-CE2 3.41Å; T246-F250 VanDerWaalsContact CG2-CE2 3.41Å; T246-F250 HydrophobicContact CG2-CZ 4.3Å; T246-F250 PolarHBondContact O-N 3.27Å; P247-F250 PolarHBondContact O-N 2.91Å; Y248-F250 VanDerWaalsContact C-N 3.34Å; F250-T253 PolarHBondContact O-N 3.46Å; F250-L254 WeakPolarHBondContact O-CB 3.32Å; F250-L254 WeakPolarHBondContact O-CG 3.31Å; F250-L254 PolarHBondContact O-N 3.41Å; F250-C384 HydrophobicContact CD1-CB 3.75Å; F250-C384 HydrophobicContact CE1-CB 4.34Å; F250-C384 HydrophobicContact CG-CB 4.49Å; F250-I387 HydrophobicContact CD1-CG2 4.24Å; F250-I387 HydrophobicContact CD2-CG2 3.76Å; F250-I387 HydrophobicContact CE1-CG2 3.92Å; F250-I387 HydrophobicContact CE2-CG1 4.33Å; F250-I387 HydrophobicContact CE2-CG2 3.37Å; F250-I387 HydrophobicContact CG-CG2 4.18Å; F250-I387 HydrophobicContact CZ-CG2 3.47Å; F250-I387 VanDerWaalsContact CZ-CG2 3.47Å; F250-M388 HydrophobicContact CB-CB 3.89Å; F250-M388 HydrophobicContact CB-CG 4.36Å; F250-M388 HydrophobicContact CD2-CB 4.29Å; F250-M388 HydrophobicContact CG-CB 4.42Å; F250-L391 HydrophobicContact CE2-CD1 4.23Å
251	M	95.1	Very high	95.7	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.005	26%	0.258	C	S	.	.	H	α-helix	trans	-60.3	-48	175.1	-76.5	-171.3	-71.5	0	0	111.9	V57 P247 Y248 T253 L254 L255 T330 L333 A334 V337 M388	V57-M251 HydrophobicContact CG2-SD 4.19Å; P247-M251 HydrophobicContact CB-CE 4.4Å; P247-M251 WeakPolarHBondContact O-CB 3.35Å; P247-M251 WeakPolarHBondContact O-CG 3.35Å; P247-M251 PolarHBondContact O-N 2.93Å; Y248-M251 HydrophobicContact CD1-CE 3.85Å; Y248-M251 HydrophobicContact CE1-CE 4.23Å; Y248-M251 HydrophobicContact CG-CE 4.09Å; Y248-M251 PolarHBondContact O-N 3.43Å; M251-T253 VanDerWaalsContact C-N 3.35Å; M251-T253 PolarHBondContact O-N 2.82Å; M251-L254 PolarHBondContact O-N 2.88Å; M251-L255 WeakPolarHBondContact O-CB 3.49Å; M251-L255 PolarHBondContact O-N 2.76Å; M251-T330 HydrophobicContact CE-CG2 3.85Å; M251-T330 HydrophobicContact SD-CG2 4.24Å; M251-L333 HydrophobicContact CB-CD2 4.1Å; M251-L333 HydrophobicContact CB-CG 4.42Å; M251-L333 HydrophobicContact CE-CD2 4.15Å; M251-L333 HydrophobicContact SD-CD2 4.3Å; M251-L333 HydrophobicContact SD-CG 4.5Å; M251-A334 HydrophobicContact SD-CB 4.29Å; M251-V337 HydrophobicContact CB-CG2 4.31Å; M251-V337 VanDerWaalsContact O-CG2 3.32Å; M251-V337 WeakPolarHBondContact O-CG2 3.22Å; M251-M388 HydrophobicContact CB-SD 4.33Å; M251-M388 HydrophobicContact CG-CG 4.31Å; M251-M388 HydrophobicContact CG-SD 3.2Å; M251-M388 WeakPolarHBondContact CG-SD 3.46Å; M251-M388 HydrophobicContact SD-SD 4.29Å
252	I	97.1	Very high	95.8	Very high	81 Å²	81	52 Å²	52	42%	0.415	27%	0.271	S	S	.	.	H	α-helix	trans	-64.5	-42.4	179.6	-68.7	166	0	0	0	110.4	Y248 L255 I256 L333	Y248-I252 VanDerWaalsContact O-CB 3.29Å; Y248-I252 WeakPolarHBondContact O-CB 3.48Å; Y248-I252 WeakPolarHBondContact O-CD1 3.4Å; Y248-I252 WeakPolarHBondContact O-CG1 3.46Å; Y248-I252 PolarHBondContact O-N 3.43Å; I252-L255 PolarHBondContact O-N 2.78Å; I252-I256 HydrophobicContact CG2-CD1 3.83Å; I252-I256 HydrophobicContact CG2-CG1 4.42Å; I252-I256 VanDerWaalsContact O-CG1 3.3Å; I252-I256 WeakPolarHBondContact O-CG1 3.24Å; I252-I256 PolarHBondContact O-N 3.38Å; I252-L333 HydrophobicContact CG1-CD2 4.42Å
253	T	96	Very high	95.7	Very high	57 Å²	57	47.1 Å²	47.1	35%	0.35	25%	0.25	S	S	.	.	H	α-helix	trans	-62.9	-44.9	178	-56.1	0	0	0	0	111.3	I249 F250 M251 I256 R257 W381	I249-T253 VanDerWaalsContact O-CB 3.29Å; I249-T253 WeakPolarHBondContact O-CB 3.46Å; I249-T253 PolarHBondContact O-N 3.21Å; I249-T253 PolarHBondContact O-OG1 3.36Å; F250-T253 PolarHBondContact O-N 3.46Å; M251-T253 VanDerWaalsContact C-N 3.35Å; M251-T253 PolarHBondContact O-N 2.82Å; T253-I256 PolarHBondContact O-N 2.97Å; T253-R257 PolarHBondContact O-N 3.23Å; T253-R257 VanDerWaalsContact O-N 3.09Å; T253-W381 HydrophobicContact CG2-CZ3 4.04Å
254	L	95.1	Very high	95.6	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.005	25%	0.247	C	C	.	.	H	α-helix	trans	-62.7	-42.7	174.8	-75.7	170.4	0	0	0	111.3	F250 M251 R257 T258 V337 W381 C384 F385	F250-L254 WeakPolarHBondContact O-CB 3.32Å; F250-L254 WeakPolarHBondContact O-CG 3.31Å; F250-L254 PolarHBondContact O-N 3.41Å; M251-L254 PolarHBondContact O-N 2.88Å; L254-R257 PolarHBondContact O-N 2.62Å; L254-T258 WeakPolarHBondContact O-CB 3.4Å; L254-T258 WeakPolarHBondContact O-CG2 3.42Å; L254-T258 PolarHBondContact O-N 3.5Å; L254-T258 PolarHBondContact O-OG1 3.26Å; L254-V337 HydrophobicContact CB-CG1 4.02Å; L254-W381 HydrophobicContact CD2-CB 4.12Å; L254-W381 HydrophobicContact CD2-CE3 4Å; L254-C384 HydrophobicContact CD2-CB 4.5Å; L254-C384 HydrophobicContact CG-CB 4.49Å; L254-F385 HydrophobicContact CD1-CB 4.13Å; L254-F385 HydrophobicContact CD1-CD2 4.43Å
255	L	96	Very high	95.7	Very high	39 Å²	39	52.3 Å²	52.3	20%	0.204	28%	0.276	C	S	.	.	H	α-helix	trans	-60.7	-47.7	177.7	-178.1	57.5	0	0	0	112	M251 I252 R257 T258 A259 L333 F336 V337	M251-L255 WeakPolarHBondContact O-CB 3.49Å; M251-L255 PolarHBondContact O-N 2.76Å; I252-L255 PolarHBondContact O-N 2.78Å; L255-R257 VanDerWaalsContact C-N 3.27Å; L255-R257 PolarHBondContact O-N 3.21Å; L255-T258 PolarHBondContact O-N 3.09Å; L255-T258 PolarHBondContact O-OG1 3.36Å; L255-A259 WeakPolarHBondContact O-CB 3.2Å; L255-A259 PolarHBondContact O-N 3.01Å; L255-L333 HydrophobicContact CD2-CD1 3.71Å; L255-F336 HydrophobicContact CD1-CB 3.85Å; L255-F336 HydrophobicContact CD2-CB 4.42Å; L255-V337 HydrophobicContact CB-CG2 3.79Å; L255-V337 HydrophobicContact CD1-CG2 4.45Å
256	I	96.8	Very high	95.5	Very high	99 Å²	99	53.5 Å²	53.5	51%	0.508	28%	0.28	S	S	.	.	H	α-helix	trans	-58.4	-45.7	178.3	-69.3	165.7	0	0	0	109.6	I252 T253 Q260	I252-I256 HydrophobicContact CG2-CD1 3.83Å; I252-I256 HydrophobicContact CG2-CG1 4.42Å; I252-I256 VanDerWaalsContact O-CG1 3.3Å; I252-I256 WeakPolarHBondContact O-CG1 3.24Å; I252-I256 PolarHBondContact O-N 3.38Å; T253-I256 PolarHBondContact O-N 2.97Å; I256-Q260 VanDerWaalsContact O-CG 3.29Å; I256-Q260 WeakPolarHBondContact O-CG 3.46Å; I256-Q260 PolarHBondContact O-N 3.01Å
257	R	94.8	Very high	95.4	Very high	54 Å²	54	52 Å²	52	20%	0.204	27%	0.271	C	S	.	.	H	α-helix	trans	-63.4	-46.9	179.8	176.6	59.3	-177.5	143.7	-1.6	112.1	T253 L254 L255 Q260 W381	T253-R257 PolarHBondContact O-N 3.23Å; T253-R257 VanDerWaalsContact O-N 3.09Å; L254-R257 PolarHBondContact O-N 2.62Å; L255-R257 VanDerWaalsContact C-N 3.27Å; L255-R257 PolarHBondContact O-N 3.21Å; R257-Q260 PolarHBondContact O-N 3.05Å; R257-W381 HydrophobicContact CB-CE3 4.39Å; R257-W381 HydrophobicContact CB-CH2 3.85Å; R257-W381 HydrophobicContact CB-CZ2 4.16Å; R257-W381 HydrophobicContact CB-CZ3 3.98Å; R257-W381 VanDerWaalsContact CD-CZ2 3.47Å; R257-W381 HydrophobicContact CG-CD2 4.05Å; R257-W381 HydrophobicContact CG-CE3 4.26Å; R257-W381 HydrophobicContact CG-CH2 3.74Å; R257-W381 HydrophobicContact CG-CZ2 3.5Å; R257-W381 HydrophobicContact CG-CZ3 4.11Å
258	T	94.7	Very high	95.3	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-77	-33.8	-172.3	59.6	0	0	0	0	111.7	L254 L255 Q260 L261 A264 A340 T341 M375	L254-T258 WeakPolarHBondContact O-CB 3.4Å; L254-T258 WeakPolarHBondContact O-CG2 3.42Å; L254-T258 PolarHBondContact O-N 3.5Å; L254-T258 PolarHBondContact O-OG1 3.26Å; L255-T258 PolarHBondContact O-N 3.09Å; L255-T258 PolarHBondContact O-OG1 3.36Å; T258-Q260 PolarHBondContact O-N 2.77Å; T258-L261 WeakPolarHBondContact O-CB 3.39Å; T258-L261 PolarHBondContact O-N 3.1Å; T258-A264 VanDerWaalsContact O-CB 3.23Å; T258-A264 WeakPolarHBondContact O-CB 3.21Å; T258-A340 WeakPolarHBondContact OG1-CB 3.34Å; T258-T341 WeakPolarHBondContact CG2-OG1 3.41Å; T258-M375 HydrophobicContact CG2-CE 3.86Å; T258-M375 HydrophobicContact CG2-SD 4.32Å
259	A	95.7	Very high	95.2	Very high	57 Å²	57	55.2 Å²	55.2	47%	0.471	29%	0.293	S	S	.	.	H	α-helix	trans	-62.9	-23.4	173.9	0	0	0	0	0	113.4	L255 L261	L255-A259 WeakPolarHBondContact O-CB 3.2Å; L255-A259 PolarHBondContact O-N 3.01Å; A259-L261 VanDerWaalsContact C-N 3.34Å
260	Q	95.6	Very high	94.8	Very high	139 Å²	139	55.3 Å²	55.3	65%	0.65	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-7.8	175.7	-69.9	174.2	-26.5	0	0	113.7	I256 R257 T258	I256-Q260 VanDerWaalsContact O-CG 3.29Å; I256-Q260 WeakPolarHBondContact O-CG 3.46Å; I256-Q260 PolarHBondContact O-N 3.01Å; R257-Q260 PolarHBondContact O-N 3.05Å; T258-Q260 PolarHBondContact O-N 2.77Å
261	L	94.6	Very high	94.7	Very high	29 Å²	29	53.4 Å²	53.4	15%	0.152	28%	0.279	C	S	.	.	S	Bend	trans	-88.9	148	-179.1	-61.3	175.5	0	0	0	111.3	T258 A259 A264 N344 M375	T258-L261 WeakPolarHBondContact O-CB 3.39Å; T258-L261 PolarHBondContact O-N 3.1Å; A259-L261 VanDerWaalsContact C-N 3.34Å; L261-A264 WeakPolarHBondContact O-CB 3.19Å; L261-A264 PolarHBondContact O-N 3.37Å; L261-N344 HydrophobicContact CB-CB 3.96Å; L261-N344 HydrophobicContact CD1-CB 4.31Å; L261-M375 HydrophobicContact CD1-CE 3.84Å; L261-M375 HydrophobicContact CD1-CG 3.96Å; L261-M375 HydrophobicContact CD1-SD 3.85Å
262	E	95.5	Very high	94.6	Very high	126 Å²	126	56.4 Å²	56.4	59%	0.589	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	142.8	176	-62.2	-172.7	165.8	0	0	110.9	A264 N344 Y347	E262-A264 VanDerWaalsContact C-N 3.28Å; E262-A264 PolarHBondContact O-N 3.14Å; E262-N344 VanDerWaalsContact O-CA 3.23Å; E262-N344 WeakPolarHBondContact O-CA 3.34Å; E262-N344 WeakPolarHBondContact O-CB 3.45Å; E262-N344 PolarHBondContact O-ND2 3.31Å; E262-Y347 HydrophobicContact CB-CD1 3.8Å; E262-Y347 HydrophobicContact CB-CE1 3.51Å; E262-Y347 HydrophobicContact CB-CG 4.49Å; E262-Y347 HydrophobicContact CG-CE1 4.37Å; E262-Y347 WeakPolarHBondContact OE2-CE1 3.24Å; E262-Y347 PolarHBondContact OE2-OH 3.21Å
263	G	93.5	Very high	94.6	Very high	15 Å²	15	59.7 Å²	59.7	16%	0.155	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.6	-12.3	-178.9	0	0	0	0	0	115.8	L265 N266 G267 G343	G263-L265 VanDerWaalsContact C-N 3.28Å; G263-L265 PolarHBondContact O-N 3.01Å; G263-N266 WeakPolarHBondContact O-CB 3.18Å; G263-N266 PolarHBondContact O-N 3.01Å; G263-G267 PolarHBondContact O-N 3.13Å; G263-G343 VanDerWaalsContact C-C 3.46Å; G263-G343 CarbonylContact C-O 3.59Å; G263-G343 CarbonylContact O-C 3.52Å; G263-G343 VanDerWaalsContact O-CA 3.32Å; G263-G343 WeakPolarHBondContact O-CA 3.46Å
264	A	95.6	Very high	94.6	Very high	3 Å²	3	59.2 Å²	59.2	3%	0.025	30%	0.304	C	S	.	.	H	α-helix	trans	-56.5	-40.5	-178.5	0	0	0	0	0	113.3	T258 L261 E262 N266 G267 I268 A340	T258-A264 VanDerWaalsContact O-CB 3.23Å; T258-A264 WeakPolarHBondContact O-CB 3.21Å; L261-A264 WeakPolarHBondContact O-CB 3.19Å; L261-A264 PolarHBondContact O-N 3.37Å; E262-A264 VanDerWaalsContact C-N 3.28Å; E262-A264 PolarHBondContact O-N 3.14Å; A264-N266 VanDerWaalsContact C-N 3.27Å; A264-N266 PolarHBondContact O-N 2.9Å; A264-G267 PolarHBondContact O-N 3.42Å; A264-G267 VanDerWaalsContact O-N 3.14Å; A264-I268 WeakPolarHBondContact O-CG1 3.39Å; A264-I268 PolarHBondContact O-N 2.97Å; A264-A340 WeakPolarHBondContact CA-O 3.12Å; A264-A340 HydrophobicContact CB-CB 4.18Å
265	L	95.9	Very high	94.6	Very high	125 Å²	125	62.5 Å²	62.5	65%	0.654	32%	0.322	S	S	*	.	H	α-helix	trans	-62.4	-32.8	177.5	-175.5	62.8	0	0	0	112.9	G263 G267 I268 T269	G263-L265 VanDerWaalsContact C-N 3.28Å; G263-L265 PolarHBondContact O-N 3.01Å; L265-G267 VanDerWaalsContact C-N 3.34Å; L265-I268 PolarHBondContact O-N 3.26Å; L265-T269 WeakPolarHBondContact O-CB 3.38Å; L265-T269 PolarHBondContact O-N 3.46Å; L265-T269 PolarHBondContact O-OG1 3.16Å
266	N	91.6	Very high	94.6	Very high	87 Å²	87	67.8 Å²	67.8	47%	0.465	34%	0.339	S	S	.	.	H	α-helix	trans	-62.8	-47.2	175.2	-64.4	-20	0	0	0	109.3	G263 A264 I268 T269 Y270 I353	G263-N266 WeakPolarHBondContact O-CB 3.18Å; G263-N266 PolarHBondContact O-N 3.01Å; A264-N266 VanDerWaalsContact C-N 3.27Å; A264-N266 PolarHBondContact O-N 2.9Å; N266-I268 PolarHBondContact O-N 2.96Å; N266-T269 WeakPolarHBondContact O-CB 3.44Å; N266-T269 PolarHBondContact O-N 2.82Å; N266-T269 VanDerWaalsContact O-N 3.14Å; N266-Y270 VanDerWaalsContact O-CD2 3.28Å; N266-Y270 WeakPolarHBondContact O-CD2 3.47Å; N266-Y270 PolarHBondContact O-N 3.43Å; N266-I353 HydrophobicContact CB-CD1 4.5Å
267	G	93.2	Very high	94.7	Very high	0 Å²	0	69.1 Å²	69.1	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-55.5	-49.6	174.3	0	0	0	0	0	113.5	G263 A264 L265 T269 Y270 Y271 F339	G263-G267 PolarHBondContact O-N 3.13Å; A264-G267 PolarHBondContact O-N 3.42Å; A264-G267 VanDerWaalsContact O-N 3.14Å; L265-G267 VanDerWaalsContact C-N 3.34Å; G267-T269 VanDerWaalsContact C-N 3.25Å; G267-T269 PolarHBondContact O-N 3.27Å; G267-Y270 WeakPolarHBondContact O-CB 3.43Å; G267-Y270 PolarHBondContact O-N 2.88Å; G267-Y270 VanDerWaalsContact O-N 3.1Å; G267-Y271 PolarHBondContact O-N 2.84Å; G267-F339 VanDerWaalsContact CA-O 3.28Å; G267-F339 WeakPolarHBondContact CA-O 3.43Å; G267-F339 WeakPolarHBondContact O-CB 3.44Å; G267-F339 WeakPolarHBondContact O-CD1 3.5Å
268	I	95.2	Very high	94.7	Very high	34 Å²	34	69.9 Å²	69.9	17%	0.174	35%	0.352	C	S	.	.	H	α-helix	trans	-61	-36.8	177.6	-64.8	168.7	0	0	0	111.4	A264 L265 N266 Y271 L272 F336 A340	A264-I268 WeakPolarHBondContact O-CG1 3.39Å; A264-I268 PolarHBondContact O-N 2.97Å; L265-I268 PolarHBondContact O-N 3.26Å; N266-I268 PolarHBondContact O-N 2.96Å; I268-Y271 WeakPolarHBondContact O-CB 3.37Å; I268-Y271 PolarHBondContact O-N 3.29Å; I268-L272 HydrophobicContact CG2-CD1 4.19Å; I268-L272 PolarHBondContact O-N 3.11Å; I268-L272 VanDerWaalsContact O-N 3.09Å; I268-F336 HydrophobicContact CD1-CD1 4.33Å; I268-F336 HydrophobicContact CG1-CD1 4.22Å; I268-F336 HydrophobicContact CG2-CD1 4.02Å; I268-F336 HydrophobicContact CG2-CE1 3.8Å; I268-A340 HydrophobicContact CD1-CB 4.31Å; I268-A340 HydrophobicContact CG1-CB 4.33Å
269	T	94.4	Very high	94.8	Very high	70 Å²	70	72 Å²	72	43%	0.429	36%	0.363	S	S	.	.	H	α-helix	trans	-64.4	-43.3	175	-56.2	0	0	0	0	110.9	L265 N266 G267 Y271 L272 K273	L265-T269 WeakPolarHBondContact O-CB 3.38Å; L265-T269 PolarHBondContact O-N 3.46Å; L265-T269 PolarHBondContact O-OG1 3.16Å; N266-T269 WeakPolarHBondContact O-CB 3.44Å; N266-T269 PolarHBondContact O-N 2.82Å; N266-T269 VanDerWaalsContact O-N 3.14Å; G267-T269 VanDerWaalsContact C-N 3.25Å; G267-T269 PolarHBondContact O-N 3.27Å; T269-Y271 VanDerWaalsContact C-N 3.27Å; T269-Y271 PolarHBondContact O-N 2.94Å; T269-L272 PolarHBondContact O-N 2.71Å; T269-K273 HydrophobicContact CG2-CB 4.39Å; T269-K273 WeakPolarHBondContact O-CB 3.44Å; T269-K273 PolarHBondContact O-N 3.46Å
270	Y	88.3	Confident	94.8	Very high	105 Å²	105	75.4 Å²	75.4	41%	0.412	38%	0.378	S	S	.	.	H	α-helix	trans	-63	-33.1	174.7	-87.6	-87.4	0	0	0	113.1	Y65 N266 G267 I353	Y65-Y270 HydrophobicContact CE2-CD1 4.13Å; N266-Y270 VanDerWaalsContact O-CD2 3.28Å; N266-Y270 WeakPolarHBondContact O-CD2 3.47Å; N266-Y270 PolarHBondContact O-N 3.43Å; G267-Y270 WeakPolarHBondContact O-CB 3.43Å; G267-Y270 PolarHBondContact O-N 2.88Å; G267-Y270 VanDerWaalsContact O-N 3.1Å; Y270-I353 HydrophobicContact CD2-CB 4.35Å; Y270-I353 HydrophobicContact CD2-CD1 3.3Å; Y270-I353 HydrophobicContact CD2-CG1 4.36Å; Y270-I353 HydrophobicContact CE2-CD1 3.78Å; Y270-I353 HydrophobicContact CG-CB 4.4Å; Y270-I353 HydrophobicContact CG-CD1 3.94Å
271	Y	93.3	Very high	94.8	Very high	0 Å²	0	71.4 Å²	71.4	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-68.5	-40.8	176.9	173.8	-136	0	0	0	112.9	F60 C64 G69 G70 G267 I268 T269 L332 F336 F339	F60-Y271 HydrophobicContact CE1-CE2 4.37Å; F60-Y271 WeakPolarHBondContact CE1-OH 3.34Å; C64-Y271 HydrophobicContact CB-CD2 4.22Å; C64-Y271 HydrophobicContact CB-CE2 3.84Å; C64-Y271 WeakPolarHBondContact SG-CE2 3.43Å; G69-Y271 CarbonylContact C-O 3.31Å; G69-Y271 VanDerWaalsContact CA-O 3.24Å; G69-Y271 WeakPolarHBondContact CA-O 3.25Å; G70-Y271 PolarHBondContact N-O 3.47Å; G267-Y271 PolarHBondContact O-N 2.84Å; I268-Y271 WeakPolarHBondContact O-CB 3.37Å; I268-Y271 PolarHBondContact O-N 3.29Å; T269-Y271 VanDerWaalsContact C-N 3.27Å; T269-Y271 PolarHBondContact O-N 2.94Å; Y271-L332 WeakPolarHBondContact OH-CA 3.48Å; Y271-L332 PolarHBondContact OH-O 3.12Å; Y271-F336 HydrophobicContact CE1-CD2 4.16Å; Y271-F336 HydrophobicContact CE1-CE2 4.25Å; Y271-F336 HydrophobicContact CE1-CG 4.35Å; Y271-F339 AromaticContact CD2-CD2 3.92Å; Y271-F339 HydrophobicContact CD2-CD2 3.92Å; Y271-F339 HydrophobicContact CD2-CE2 4.2Å; Y271-F339 HydrophobicContact CG-CB 4.38Å; Y271-F339 AromaticContact CG-CD2 3.95Å; Y271-F339 HydrophobicContact CG-CD2 3.95Å; Y271-F339 HydrophobicContact CG-CG 4.2Å
272	L	94.6	Very high	94.9	Very high	64 Å²	64	74.2 Å²	74.2	34%	0.335	38%	0.375	S	S	.	.	H	α-helix	trans	-107.2	-16.3	-169.9	-63.7	-179.8	0	0	0	115	G70 L73 I268 T269 P274 F336	G70-L272 VanDerWaalsContact CA-O 3.28Å; G70-L272 WeakPolarHBondContact CA-O 3.43Å; G70-L272 PolarHBondContact N-O 3.15Å; L73-L272 HydrophobicContact CD1-CD2 4.42Å; I268-L272 HydrophobicContact CG2-CD1 4.19Å; I268-L272 PolarHBondContact O-N 3.11Å; I268-L272 VanDerWaalsContact O-N 3.09Å; T269-L272 PolarHBondContact O-N 2.71Å; L272-P274 VanDerWaalsContact O-CD 3.28Å; L272-P274 WeakPolarHBondContact O-CD 3.49Å; L272-F336 HydrophobicContact CD1-CE1 3.88Å; L272-F336 HydrophobicContact CD1-CZ 3.79Å
273	K	95.2	Very high	94.9	Very high	149 Å²	149	70.1 Å²	70.1	65%	0.648	36%	0.358	S	S	*	.			trans	-64.5	118.9	179.2	-176.6	178.1	-179.8	-174.9	0	108.9	T269	T269-K273 HydrophobicContact CG2-CB 4.39Å; T269-K273 WeakPolarHBondContact O-CB 3.44Å; T269-K273 PolarHBondContact O-N 3.46Å
274	P	96.6	Very high	95	Very high	47 Å²	47	69.4 Å²	69.4	31%	0.305	35%	0.351	S	S	.	.			trans	-78.8	135	-176.6	30.7	-33.1	0	0	0	111.1	G68 A71 L272 W276	G68-P274 WeakPolarHBondContact O-CA 3.45Å; A71-P274 HydrophobicContact CB-CB 4.14Å; L272-P274 VanDerWaalsContact O-CD 3.28Å; L272-P274 WeakPolarHBondContact O-CD 3.49Å; P274-W276 HydrophobicContact CB-CD2 4.01Å; P274-W276 HydrophobicContact CB-CE3 4.15Å; P274-W276 HydrophobicContact CB-CH2 3.71Å; P274-W276 HydrophobicContact CB-CZ2 3.54Å; P274-W276 HydrophobicContact CB-CZ3 4Å; P274-W276 HydrophobicContact CG-CD2 4.43Å; P274-W276 HydrophobicContact CG-CH2 3.9Å; P274-W276 HydrophobicContact CG-CZ2 3.31Å
275	D	95.5	Very high	95.1	Very high	71 Å²	71	72.4 Å²	72.4	38%	0.38	36%	0.362	S	S	.	.			trans	-104.2	101.7	162	-177.7	-1	0	0	0	108.4	G68 A71 D277 K278	G68-D275 PolarHBondContact O-N 2.89Å; A71-D275 WeakPolarHBondContact CB-O 3.4Å; D275-D277 VanDerWaalsContact C-N 3.3Å; D275-D277 PolarHBondContact O-N 3.49Å; D275-D277 PolarHBondContact OD1-N 2.89Å; D275-K278 HydrophobicContact CB-CG 4.14Å; D275-K278 WeakPolarHBondContact O-CB 3.33Å; D275-K278 PolarHBondContact O-N 2.94Å
276	W	97	Very high	95	Very high	149 Å²	149	66.7 Å²	66.7	56%	0.564	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-71.4	-25.4	-171	-57.5	114.8	0	0	0	113.3	A71 I74 P274 K278 L279	A71-W276 HydrophobicContact CB-CE3 4.27Å; I74-W276 HydrophobicContact CD1-CZ3 3.8Å; P274-W276 HydrophobicContact CB-CD2 4.01Å; P274-W276 HydrophobicContact CB-CE3 4.15Å; P274-W276 HydrophobicContact CB-CH2 3.71Å; P274-W276 HydrophobicContact CB-CZ2 3.54Å; P274-W276 HydrophobicContact CB-CZ3 4Å; P274-W276 HydrophobicContact CG-CD2 4.43Å; P274-W276 HydrophobicContact CG-CH2 3.9Å; P274-W276 HydrophobicContact CG-CZ2 3.31Å; W276-K278 PolarHBondContact O-N 3.43Å; W276-L279 HydrophobicContact CE3-CD1 3.95Å; W276-L279 HydrophobicContact CZ3-CD1 4.48Å; W276-L279 WeakPolarHBondContact O-CB 3.21Å; W276-L279 PolarHBondContact O-N 3.17Å; W276-L279 VanDerWaalsContact O-N 3.11Å
277	D	97.4	Very high	95.1	Very high	128 Å²	128	63.8 Å²	63.8	68%	0.684	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-65.3	-28.6	-179.4	-67.7	-24.1	0	0	0	110.8	D275 L279 T280	D275-D277 VanDerWaalsContact C-N 3.3Å; D275-D277 PolarHBondContact O-N 3.49Å; D275-D277 PolarHBondContact OD1-N 2.89Å; D277-L279 PolarHBondContact O-N 3.41Å; D277-T280 PolarHBondContact O-N 3.17Å; D277-T280 VanDerWaalsContact O-N 3.16Å; D277-T280 PolarHBondContact O-OG1 3.18Å
278	K	94.5	Very high	95.3	Very high	69 Å²	69	63.8 Å²	63.8	30%	0.3	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-60.6	-23	175.1	-72.2	-67.7	-172.8	179.9	0	114	D275 W276 T280 D281 V284	D275-K278 HydrophobicContact CB-CG 4.14Å; D275-K278 WeakPolarHBondContact O-CB 3.33Å; D275-K278 PolarHBondContact O-N 2.94Å; W276-K278 PolarHBondContact O-N 3.43Å; K278-T280 PolarHBondContact O-N 3.12Å; K278-D281 WeakPolarHBondContact O-CB 3.3Å; K278-D281 PolarHBondContact O-N 3.2Å; K278-D281 VanDerWaalsContact O-N 3.11Å; K278-V284 HydrophobicContact CB-CG2 4.15Å; K278-V284 HydrophobicContact CD-CG2 4.36Å; K278-V284 VanDerWaalsContact O-CG2 3.28Å; K278-V284 WeakPolarHBondContact O-CG2 3.43Å
279	L	97	Very high	95.3	Very high	45 Å²	45	62.1 Å²	62.1	24%	0.236	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-66.6	-17.6	177.8	-65.5	179.1	0	0	0	113.6	A71 I74 P75 W276 D277 D281 W285	A71-L279 HydrophobicContact CB-CD2 4.28Å; A71-L279 HydrophobicContact CB-CG 4.35Å; A71-L279 WeakPolarHBondContact O-CD2 3.24Å; I74-L279 HydrophobicContact CB-CD2 4.41Å; I74-L279 HydrophobicContact CD1-CD1 4.07Å; P75-L279 HydrophobicContact CG-CD2 4.46Å; W276-L279 HydrophobicContact CE3-CD1 3.95Å; W276-L279 HydrophobicContact CZ3-CD1 4.48Å; W276-L279 WeakPolarHBondContact O-CB 3.21Å; W276-L279 PolarHBondContact O-N 3.17Å; W276-L279 VanDerWaalsContact O-N 3.11Å; D277-L279 PolarHBondContact O-N 3.41Å; L279-D281 VanDerWaalsContact C-N 3.35Å; L279-W285 PolarHBondContact O-NE1 3Å
280	T	96.8	Very high	95.3	Very high	128 Å²	128	59.3 Å²	59.3	79%	0.785	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-82.2	-13.5	176.3	66.4	0	0	0	0	113.3	D277 K278	D277-T280 PolarHBondContact O-N 3.17Å; D277-T280 VanDerWaalsContact O-N 3.16Å; D277-T280 PolarHBondContact O-OG1 3.18Å; K278-T280 PolarHBondContact O-N 3.12Å
281	D	96.1	Very high	95.6	Very high	55 Å²	55	54.3 Å²	54.3	29%	0.294	27%	0.271	S	S	.	.			trans	-86.4	124.6	-176.9	-175.5	-14.9	0	0	0	111.3	K278 L279 T283 V284	K278-D281 WeakPolarHBondContact O-CB 3.3Å; K278-D281 PolarHBondContact O-N 3.2Å; K278-D281 VanDerWaalsContact O-N 3.11Å; L279-D281 VanDerWaalsContact C-N 3.35Å; D281-T283 PolarHBondContact O-N 2.97Å; D281-T283 WeakPolarHBondContact OD1-CB 3.34Å; D281-T283 PolarHBondContact OD1-N 3.27Å; D281-T283 PolarHBondContact OD1-OG1 3.3Å; D281-V284 HydrophobicContact CB-CG2 3.97Å; D281-V284 WeakPolarHBondContact O-CB 3.28Å; D281-V284 PolarHBondContact O-N 3.27Å
282	M	95.4	Very high	95.7	Very high	89 Å²	89	54.3 Å²	54.3	44%	0.438	27%	0.271	S	S	.	.	H	α-helix	trans	-62.9	-27.8	179.1	-61.9	-178.4	-171.9	0	0	112.8	V284 W285 S286 F515 I518 V519	M282-V284 VanDerWaalsContact C-N 3.28Å; M282-V284 PolarHBondContact O-N 3.47Å; M282-W285 PolarHBondContact O-N 2.96Å; M282-S286 PolarHBondContact O-N 3.39Å; M282-F515 HydrophobicContact CB-CD2 4.33Å; M282-F515 HydrophobicContact CB-CG 4.37Å; M282-F515 HydrophobicContact CG-CE1 4.33Å; M282-F515 HydrophobicContact CG-CE2 4.47Å; M282-F515 HydrophobicContact CG-CZ 4.3Å; M282-F515 HydrophobicContact SD-CD1 4.24Å; M282-F515 HydrophobicContact SD-CE1 4.1Å; M282-I518 HydrophobicContact SD-CG2 4.45Å; M282-V519 HydrophobicContact CB-CG1 4.1Å
283	T	94.8	Very high	95.7	Very high	39 Å²	39	51.4 Å²	51.4	24%	0.239	26%	0.256	C	S	.	.	H	α-helix	trans	-61.6	-40.3	178.1	-46.4	0	0	0	0	110.7	D281 W285 S286 D287	D281-T283 PolarHBondContact O-N 2.97Å; D281-T283 WeakPolarHBondContact OD1-CB 3.34Å; D281-T283 PolarHBondContact OD1-N 3.27Å; D281-T283 PolarHBondContact OD1-OG1 3.3Å; T283-W285 VanDerWaalsContact C-N 3.34Å; T283-W285 PolarHBondContact O-N 3Å; T283-S286 PolarHBondContact O-N 2.88Å; T283-D287 WeakPolarHBondContact O-CB 3.28Å; T283-D287 PolarHBondContact O-N 3.31Å
284	V	96.3	Very high	95.6	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-62.4	-43.3	179.9	172.7	0	0	0	0	110.9	N67 F72 P75 K278 D281 M282 A288	N67-V284 HydrophobicContact CB-CB 4.32Å; N67-V284 HydrophobicContact CB-CG1 4.09Å; N67-V284 HydrophobicContact CB-CG2 3.83Å; F72-V284 HydrophobicContact CD2-CG1 4.27Å; P75-V284 HydrophobicContact CG-CG1 3.88Å; K278-V284 HydrophobicContact CB-CG2 4.15Å; K278-V284 HydrophobicContact CD-CG2 4.36Å; K278-V284 VanDerWaalsContact O-CG2 3.28Å; K278-V284 WeakPolarHBondContact O-CG2 3.43Å; D281-V284 HydrophobicContact CB-CG2 3.97Å; D281-V284 WeakPolarHBondContact O-CB 3.28Å; D281-V284 PolarHBondContact O-N 3.27Å; M282-V284 VanDerWaalsContact C-N 3.28Å; M282-V284 PolarHBondContact O-N 3.47Å; V284-A288 VanDerWaalsContact O-CB 3.28Å; V284-A288 WeakPolarHBondContact O-CB 3.43Å; V284-A288 PolarHBondContact O-N 3.08Å
285	W	97	Very high	95.5	Very high	66 Å²	66	44.2 Å²	44.2	25%	0.25	22%	0.22	C	C	.	.	H	α-helix	trans	-69.2	-40	176.5	-71.3	89.3	0	0	0	112.4	P75 V78 L279 M282 T283 G289 L512 F515	P75-W285 HydrophobicContact CB-CD2 3.75Å; P75-W285 HydrophobicContact CB-CE3 3.55Å; P75-W285 HydrophobicContact CB-CG 4.36Å; P75-W285 HydrophobicContact CB-CH2 4.17Å; P75-W285 HydrophobicContact CB-CZ2 4.34Å; P75-W285 HydrophobicContact CB-CZ3 3.77Å; V78-W285 HydrophobicContact CB-CZ3 4.26Å; V78-W285 HydrophobicContact CG1-CZ3 4.02Å; L279-W285 PolarHBondContact O-NE1 3Å; M282-W285 PolarHBondContact O-N 2.96Å; T283-W285 VanDerWaalsContact C-N 3.34Å; T283-W285 PolarHBondContact O-N 3Å; W285-G289 PolarHBondContact O-N 2.84Å; W285-L512 WeakPolarHBondContact O-CD2 3.47Å; W285-F515 HydrophobicContact CB-CD2 3.97Å; W285-F515 HydrophobicContact CB-CE2 4.08Å
286	S	94.9	Very high	95.6	Very high	5 Å²	5	40.9 Å²	40.9	4%	0.035	20%	0.202	C	C	.	.	H	α-helix	trans	-65.2	-45.1	176.7	-164	0	0	0	0	112.2	M282 T283 G289 T290 S516	M282-S286 PolarHBondContact O-N 3.39Å; T283-S286 PolarHBondContact O-N 2.88Å; S286-G289 PolarHBondContact O-N 2.84Å; S286-T290 WeakPolarHBondContact O-CB 3.37Å; S286-T290 VanDerWaalsContact O-CG2 3.31Å; S286-T290 WeakPolarHBondContact O-CG2 3.42Å; S286-T290 PolarHBondContact O-N 3.38Å; S286-T290 PolarHBondContact O-OG1 3.11Å; S286-S516 VanDerWaalsContact OG-CA 3.29Å; S286-S516 WeakPolarHBondContact OG-CA 3.46Å; S286-S516 WeakPolarHBondContact OG-CB 3.27Å; S286-S516 PolarHBondContact OG-N 3.38Å
287	D	94.4	Very high	95.5	Very high	26 Å²	26	34.2 Å²	34.2	14%	0.139	18%	0.179	C	C	.	.	H	α-helix	trans	-63.9	-43.4	177.5	-82.7	-6.4	0	0	0	111.2	L63 K66 N67 F72 T283 T290 Q291	L63-D287 HydrophobicContact CD1-CB 4.44Å; L63-D287 HydrophobicContact CD2-CB 4.16Å; K66-D287 IonicContact NZ-OD2 2.81Å; N67-D287 WeakPolarHBondContact ND2-CB 3.45Å; N67-D287 PolarHBondContact ND2-OD2 2.91Å; F72-D287 HydrophobicContact CE2-CB 4.24Å; T283-D287 WeakPolarHBondContact O-CB 3.28Å; T283-D287 PolarHBondContact O-N 3.31Å; D287-T290 PolarHBondContact O-OG1 3.1Å; D287-Q291 WeakPolarHBondContact O-CB 3.1Å; D287-Q291 PolarHBondContact O-N 2.85Å
288	A	96.8	Very high	95.5	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-63.6	-46.4	176.7	0	0	0	0	0	112.1	F72 P75 V284 Q291 I292	F72-A288 HydrophobicContact CD2-CB 4.23Å; F72-A288 HydrophobicContact CE2-CB 3.58Å; F72-A288 HydrophobicContact CZ-CB 3.88Å; P75-A288 HydrophobicContact CB-CB 3.75Å; P75-A288 HydrophobicContact CG-CB 4.04Å; V284-A288 VanDerWaalsContact O-CB 3.28Å; V284-A288 WeakPolarHBondContact O-CB 3.43Å; V284-A288 PolarHBondContact O-N 3.08Å; A288-Q291 PolarHBondContact O-N 3.28Å; A288-I292 PolarHBondContact O-N 3.12Å
289	G	95.9	Very high	95.6	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-60	-56.9	177.3	0	0	0	0	0	111.5	W285 S286 Q291 I292 F293	W285-G289 PolarHBondContact O-N 2.84Å; S286-G289 PolarHBondContact O-N 2.84Å; G289-Q291 VanDerWaalsContact C-N 3.27Å; G289-Q291 PolarHBondContact O-N 2.87Å; G289-I292 WeakPolarHBondContact O-CB 3.21Å; G289-I292 PolarHBondContact O-N 3.14Å; G289-F293 WeakPolarHBondContact O-CD2 3.36Å; G289-F293 PolarHBondContact O-N 3.42Å
290	T	92.7	Very high	95.6	Very high	10 Å²	10	23.4 Å²	23.4	6%	0.061	12%	0.124	C	C	.	.	H	α-helix	trans	-59.7	-36.4	-179.5	57.1	0	0	0	0	112.4	S286 D287 I292 F293 F294 L462	S286-T290 WeakPolarHBondContact O-CB 3.37Å; S286-T290 VanDerWaalsContact O-CG2 3.31Å; S286-T290 WeakPolarHBondContact O-CG2 3.42Å; S286-T290 PolarHBondContact O-N 3.38Å; S286-T290 PolarHBondContact O-OG1 3.11Å; D287-T290 PolarHBondContact O-OG1 3.1Å; T290-I292 VanDerWaalsContact C-N 3.25Å; T290-I292 PolarHBondContact O-N 2.93Å; T290-F293 PolarHBondContact O-N 2.93Å; T290-F294 WeakPolarHBondContact O-CD2 3.22Å; T290-F294 PolarHBondContact O-N 2.97Å; T290-L462 HydrophobicContact CG2-CD1 4.14Å
291	Q	94.9	Very high	95.5	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-56.6	-38.3	173.5	178	61.2	36.6	0	0	112.3	G55 R59 F60 L63 Y76 D287 A288 G289 S295	G55-Q291 PolarHBondContact O-NE2 3.32Å; R59-Q291 VanDerWaalsContact CD-OE1 3.27Å; R59-Q291 VanDerWaalsContact CG-OE1 3.29Å; F60-Q291 HydrophobicContact CD2-CG 4.21Å; L63-Q291 HydrophobicContact CD1-CB 3.93Å; L63-Q291 HydrophobicContact CD1-CG 4.29Å; Y76-Q291 HydrophobicContact CD2-CG 4.42Å; Y76-Q291 HydrophobicContact CE2-CG 4.21Å; D287-Q291 WeakPolarHBondContact O-CB 3.1Å; D287-Q291 PolarHBondContact O-N 2.85Å; A288-Q291 PolarHBondContact O-N 3.28Å; G289-Q291 VanDerWaalsContact C-N 3.27Å; G289-Q291 PolarHBondContact O-N 2.87Å; Q291-S295 WeakPolarHBondContact O-CB 3.31Å; Q291-S295 PolarHBondContact O-N 3.15Å
292	I	95.9	Very high	95.6	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-67.3	-47.7	175.6	-63.9	-50.8	0	0	0	111.5	Y76 V80 G84 A288 G289 T290 F294 S295 Y296	Y76-I292 HydrophobicContact CD2-CD1 3.59Å; Y76-I292 HydrophobicContact CD2-CG1 4.37Å; Y76-I292 HydrophobicContact CE1-CD1 4.29Å; Y76-I292 HydrophobicContact CE2-CD1 3.21Å; Y76-I292 HydrophobicContact CE2-CG1 4.38Å; Y76-I292 HydrophobicContact CG-CD1 4.29Å; V80-I292 HydrophobicContact CG2-CD1 3.43Å; V80-I292 VanDerWaalsContact CG2-CD1 3.43Å; V80-I292 HydrophobicContact CG2-CG1 4.17Å; G84-I292 VanDerWaalsContact CA-CG2 3.44Å; A288-I292 PolarHBondContact O-N 3.12Å; G289-I292 WeakPolarHBondContact O-CB 3.21Å; G289-I292 PolarHBondContact O-N 3.14Å; T290-I292 VanDerWaalsContact C-N 3.25Å; T290-I292 PolarHBondContact O-N 2.93Å; I292-F294 VanDerWaalsContact C-N 3.28Å; I292-F294 PolarHBondContact O-N 3.45Å; I292-S295 PolarHBondContact O-N 2.94Å; I292-Y296 HydrophobicContact CD1-CE2 4.46Å; I292-Y296 HydrophobicContact CG2-CD2 4.17Å; I292-Y296 HydrophobicContact CG2-CE2 4.45Å; I292-Y296 HydrophobicContact CG2-CG 4.29Å; I292-Y296 VanDerWaalsContact O-CB 3.29Å; I292-Y296 WeakPolarHBondContact O-CB 3.49Å; I292-Y296 PolarHBondContact O-N 2.9Å
293	F	95.3	Very high	95.7	Very high	3 Å²	3	10.5 Å²	10.5	1%	0.013	5%	0.053	C	C	.	.	H	α-helix	trans	-58.3	-42.5	179.4	-79.5	-98	0	0	0	112	A83 L87 G289 T290 A297 I298 I461 L462 T465 T509 L512	A83-F293 HydrophobicContact CB-CE2 3.92Å; A83-F293 HydrophobicContact CB-CZ 3.99Å; L87-F293 HydrophobicContact CD1-CD1 4.43Å; L87-F293 HydrophobicContact CD1-CE1 3.37Å; L87-F293 HydrophobicContact CD1-CZ 3.44Å; L87-F293 VanDerWaalsContact CD1-CZ 3.44Å; G289-F293 WeakPolarHBondContact O-CD2 3.36Å; G289-F293 PolarHBondContact O-N 3.42Å; T290-F293 PolarHBondContact O-N 2.93Å; F293-A297 PolarHBondContact O-N 3.48Å; F293-A297 VanDerWaalsContact O-N 3.14Å; F293-I298 HydrophobicContact CD1-CB 4.08Å; F293-I298 HydrophobicContact CD1-CG2 4.06Å; F293-I298 HydrophobicContact CE1-CG2 4.22Å; F293-I298 PolarHBondContact O-N 3.23Å; F293-I461 HydrophobicContact CB-CG2 4.07Å; F293-I461 HydrophobicContact CD1-CG2 3.73Å; F293-I461 HydrophobicContact CG-CG2 4.31Å; F293-L462 HydrophobicContact CD1-CD2 3.96Å; F293-L462 HydrophobicContact CD2-CD2 3.56Å; F293-L462 HydrophobicContact CE1-CD2 3.86Å; F293-L462 HydrophobicContact CE2-CD2 3.48Å; F293-L462 VanDerWaalsContact CE2-CD2 3.48Å; F293-L462 HydrophobicContact CG-CD2 3.81Å; F293-L462 HydrophobicContact CZ-CD2 3.62Å; F293-T465 HydrophobicContact CD1-CG2 4.16Å; F293-T465 HydrophobicContact CE1-CG2 3.95Å; F293-T465 VanDerWaalsContact CE1-OG1 3.23Å; F293-T465 WeakPolarHBondContact CE1-OG1 3.48Å; F293-T509 HydrophobicContact CE1-CG2 4.23Å; F293-T509 HydrophobicContact CZ-CG2 3.8Å; F293-L512 HydrophobicContact CE2-CD1 3.88Å
294	F	91.5	Very high	95.9	Very high	44 Å²	44	8.8 Å²	8.8	19%	0.193	4%	0.042	C	C	.	.	H	α-helix	trans	-68.8	-48.8	175.2	-82.2	-68.6	0	0	0	113.2	T290 I292 Y296 A297 S458 I461	T290-F294 WeakPolarHBondContact O-CD2 3.22Å; T290-F294 PolarHBondContact O-N 2.97Å; I292-F294 VanDerWaalsContact C-N 3.28Å; I292-F294 PolarHBondContact O-N 3.45Å; F294-Y296 VanDerWaalsContact C-N 3.27Å; F294-Y296 PolarHBondContact O-N 2.86Å; F294-A297 PolarHBondContact O-N 3.05Å; F294-A297 VanDerWaalsContact O-N 3.12Å; F294-S458 VanDerWaalsContact CE2-CA 3.45Å; F294-S458 WeakPolarHBondContact CE2-OG 3.48Å; F294-S458 WeakPolarHBondContact CZ-OG 3.38Å; F294-I461 HydrophobicContact CE1-CD1 4.21Å
295	S	95.5	Very high	95.9	Very high	2 Å²	2	8.8 Å²	8.8	1%	0.014	4%	0.042	C	C	.	.	H	α-helix	trans	-71.3	-23.2	-175.4	-174	0	0	0	0	113	S51 N56 Q291 I292 N327	S51-S295 CarbonylContact C-O 3.59Å; S51-S295 WeakPolarHBondContact CB-O 3.43Å; N56-S295 PolarHBondContact ND2-OG 3.29Å; N56-S295 PolarHBondContact OD1-OG 3.05Å; Q291-S295 WeakPolarHBondContact O-CB 3.31Å; Q291-S295 PolarHBondContact O-N 3.15Å; I292-S295 PolarHBondContact O-N 2.94Å; S295-N327 PolarHBondContact O-ND2 2.96Å; S295-N327 PolarHBondContact OG-ND2 3.37Å; S295-N327 VanDerWaalsContact OG-ND2 3.11Å; S295-N327 PolarHBondContact OG-OD1 3.28Å; S295-N327 VanDerWaalsContact OG-OD1 3.1Å
296	Y	96.9	Very high	96	Very high	1 Å²	1	5.8 Å²	5.8	0%	0.004	3%	0.031	C	C	.	.	H	α-helix	trans	-92.1	-10.5	174	-79.6	-136.5	0	0	0	111.6	S51 V80 V85 F88 I292 F294 I298 F323 A324 N327	S51-Y296 PolarHBondContact OG-O 3.3Å; V80-Y296 WeakPolarHBondContact CG1-OH 3.33Å; V85-Y296 HydrophobicContact CG2-CE1 4.46Å; F88-Y296 HydrophobicContact CB-CD1 4.09Å; F88-Y296 HydrophobicContact CD2-CD1 4Å; F88-Y296 HydrophobicContact CD2-CG 4.45Å; F88-Y296 WeakPolarHBondContact CE2-O 3.07Å; F88-Y296 HydrophobicContact CG-CD1 4.31Å; I292-Y296 HydrophobicContact CD1-CE2 4.46Å; I292-Y296 HydrophobicContact CG2-CD2 4.17Å; I292-Y296 HydrophobicContact CG2-CE2 4.45Å; I292-Y296 HydrophobicContact CG2-CG 4.29Å; I292-Y296 VanDerWaalsContact O-CB 3.29Å; I292-Y296 WeakPolarHBondContact O-CB 3.49Å; I292-Y296 PolarHBondContact O-N 2.9Å; F294-Y296 VanDerWaalsContact C-N 3.27Å; F294-Y296 PolarHBondContact O-N 2.86Å; Y296-I298 VanDerWaalsContact C-N 3.31Å; Y296-I298 HydrophobicContact CD1-CD1 4.28Å; Y296-I298 HydrophobicContact CG-CD1 4.26Å; Y296-F323 AromaticContact CD1-CE1 3.65Å; Y296-F323 HydrophobicContact CD1-CE1 3.65Å; Y296-F323 HydrophobicContact CD1-CZ 4.43Å; Y296-F323 HydrophobicContact CD2-CE1 4.33Å; Y296-F323 HydrophobicContact CD2-CZ 4.42Å; Y296-F323 HydrophobicContact CE1-CD1 4.44Å; Y296-F323 AromaticContact CE1-CE1 3.82Å; Y296-F323 HydrophobicContact CE1-CE1 3.82Å; Y296-F323 HydrophobicContact CE2-CE1 4.49Å; Y296-F323 AromaticContact CG-CE1 3.9Å; Y296-F323 HydrophobicContact CG-CE1 3.9Å; Y296-F323 HydrophobicContact CG-CZ 4.24Å; Y296-A324 HydrophobicContact CE1-CB 4.22Å; Y296-A324 VanDerWaalsContact OH-CA 3.31Å; Y296-A324 WeakPolarHBondContact OH-CA 3.3Å; Y296-A324 VanDerWaalsContact OH-CB 3.32Å; Y296-A324 WeakPolarHBondContact OH-CB 3.42Å; Y296-N327 HydrophobicContact CE2-CB 4.12Å; Y296-N327 VanDerWaalsContact CE2-OD1 3.27Å; Y296-N327 WeakPolarHBondContact CE2-OD1 3.27Å
297	A	96.1	Very high	96.1	Very high	8 Å²	8	5.6 Å²	5.6	7%	0.066	3%	0.03	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.5	38.1	-175.2	0	0	0	0	0	113.5	F50 F293 F294 L300	F50-A297 HydrophobicContact CD1-CB 3.96Å; F50-A297 HydrophobicContact CE1-CB 3.27Å; F50-A297 HydrophobicContact CE2-CB 4.45Å; F50-A297 HydrophobicContact CZ-CB 3.56Å; F293-A297 PolarHBondContact O-N 3.48Å; F293-A297 VanDerWaalsContact O-N 3.14Å; F294-A297 PolarHBondContact O-N 3.05Å; F294-A297 VanDerWaalsContact O-N 3.12Å; A297-L300 HydrophobicContact CB-CD1 4.09Å
298	I	97.4	Very high	96.2	Very high	0 Å²	0	4.3 Å²	4.3	0%	0	2%	0.023	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	144.4	-179.2	-58.7	165.7	0	0	0	109.2	L87 E91 F293 Y296 L300 L303 I461 T465	L87-I298 HydrophobicContact CB-CD1 4.04Å; L87-I298 HydrophobicContact CB-CG1 4.47Å; L87-I298 HydrophobicContact CB-CG2 3.64Å; L87-I298 HydrophobicContact CD1-CG2 4.02Å; L87-I298 HydrophobicContact CG-CG2 4.36Å; E91-I298 WeakPolarHBondContact OE1-CA 3.4Å; E91-I298 WeakPolarHBondContact OE1-CG2 3.48Å; F293-I298 HydrophobicContact CD1-CB 4.08Å; F293-I298 HydrophobicContact CD1-CG2 4.06Å; F293-I298 HydrophobicContact CE1-CG2 4.22Å; F293-I298 PolarHBondContact O-N 3.23Å; Y296-I298 VanDerWaalsContact C-N 3.31Å; Y296-I298 HydrophobicContact CD1-CD1 4.28Å; Y296-I298 HydrophobicContact CG-CD1 4.26Å; I298-L300 VanDerWaalsContact C-N 3.27Å; I298-L300 PolarHBondContact O-N 3.33Å; I298-L303 HydrophobicContact CG1-CD1 4.43Å; I298-I461 WeakPolarHBondContact O-CG2 3.33Å; I298-T465 HydrophobicContact CG2-CG2 3.56Å
299	G	96.2	Very high	96.2	Very high	0 Å²	0	4.7 Å²	4.7	0%	0	2%	0.024	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.9	6	177.6	0	0	0	0	0	114.2	E91 S119	E91-G299 PolarHBondContact OE1-N 3.23Å; S119-G299 WeakPolarHBondContact CA-O 3.42Å; S119-G299 WeakPolarHBondContact CB-O 3.33Å; S119-G299 PolarHBondContact OG-O 2.76Å
300	L	96.2	Very high	96.2	Very high	15 Å²	15	4.7 Å²	4.7	8%	0.079	3%	0.025	C	C	.	.	S	Bend	trans	-92.6	-11.5	176.3	-59.1	-172.1	0	0	0	112.6	F50 I122 N123 A297 I298 A302 I461	F50-L300 HydrophobicContact CZ-CD1 4.3Å; I122-L300 HydrophobicContact CB-CD2 4.27Å; I122-L300 HydrophobicContact CG2-CD2 3.48Å; I122-L300 VanDerWaalsContact CG2-CD2 3.48Å; N123-L300 HydrophobicContact CB-CB 4.18Å; N123-L300 WeakPolarHBondContact CB-O 3.43Å; A297-L300 HydrophobicContact CB-CD1 4.09Å; I298-L300 VanDerWaalsContact C-N 3.27Å; I298-L300 PolarHBondContact O-N 3.33Å; L300-A302 PolarHBondContact O-N 3.36Å; L300-I461 HydrophobicContact CD2-CD1 3.89Å; L300-I461 HydrophobicContact CD2-CG1 4.28Å
301	G	96.4	Very high	96.3	Very high	2 Å²	2	12 Å²	12	2%	0.021	5%	0.051	C	C	.	.	S	Bend	trans	71.1	-7.1	-178.9	0	0	0	0	0	114.8	A102 L303 T304 A305	A102-G301 WeakPolarHBondContact CB-O 3.31Å; G301-L303 VanDerWaalsContact C-N 3.31Å; G301-L303 PolarHBondContact O-N 3.11Å; G301-T304 WeakPolarHBondContact O-CB 3.44Å; G301-T304 PolarHBondContact O-N 2.8Å; G301-A305 PolarHBondContact O-N 2.9Å; G301-A305 VanDerWaalsContact O-N 3.12Å
302	A	97.3	Very high	96.2	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-65.4	-33.7	174.2	0	0	0	0	0	111.9	F50 L300 A305 L306	F50-A302 HydrophobicContact CD1-CB 4.43Å; F50-A302 HydrophobicContact CE1-CB 3.52Å; F50-A302 HydrophobicContact CE2-CB 4.17Å; F50-A302 HydrophobicContact CZ-CB 3.36Å; L300-A302 PolarHBondContact O-N 3.36Å; A302-A305 WeakPolarHBondContact O-CB 3.11Å; A302-A305 PolarHBondContact O-N 2.81Å; A302-A305 VanDerWaalsContact O-N 3.16Å; A302-L306 WeakPolarHBondContact O-CG 3.32Å; A302-L306 PolarHBondContact O-N 2.86Å
303	L	98.4	Very high	96.1	Very high	0 Å²	0	19 Å²	19	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-64.1	-42.7	174.9	-60.1	179.2	0	0	0	111.7	F50 F88 E91 V92 I298 G301 A305 L306 G307	F50-L303 HydrophobicContact CD1-CD2 3.87Å; F50-L303 HydrophobicContact CE1-CD2 3.97Å; F50-L303 HydrophobicContact CE1-CG 4.4Å; F88-L303 HydrophobicContact CD2-CD1 3.34Å; F88-L303 HydrophobicContact CD2-CD2 4.05Å; F88-L303 HydrophobicContact CD2-CG 4.32Å; F88-L303 HydrophobicContact CE2-CD1 3.58Å; F88-L303 HydrophobicContact CE2-CD2 3.32Å; F88-L303 HydrophobicContact CE2-CG 4.08Å; F88-L303 HydrophobicContact CG-CD1 3.99Å; F88-L303 HydrophobicContact CZ-CD1 4.37Å; F88-L303 HydrophobicContact CZ-CD2 3.64Å; E91-L303 HydrophobicContact CB-CB 3.87Å; E91-L303 HydrophobicContact CB-CD1 4.47Å; V92-L303 HydrophobicContact CG2-CB 4.25Å; I298-L303 HydrophobicContact CG1-CD1 4.43Å; G301-L303 VanDerWaalsContact C-N 3.31Å; G301-L303 PolarHBondContact O-N 3.11Å; L303-A305 VanDerWaalsContact C-N 3.29Å; L303-A305 PolarHBondContact O-N 2.92Å; L303-L306 PolarHBondContact O-N 3.48Å; L303-G307 PolarHBondContact O-N 3.45Å
304	T	98.3	Very high	96.1	Very high	2 Å²	2	20.9 Å²	20.9	1%	0.012	9%	0.091	C	C	.	.	H	α-helix	trans	-56	-44.7	170.7	-56	0	0	0	0	111	E91 L94 G95 A105 G301 G307 S308	E91-T304 WeakPolarHBondContact O-CA 3.46Å; E91-T304 PolarHBondContact O-OG1 3.01Å; L94-T304 HydrophobicContact CG-CG2 4.47Å; G95-T304 VanDerWaalsContact CA-O 3.22Å; G95-T304 WeakPolarHBondContact CA-O 3.37Å; A105-T304 HydrophobicContact CB-CG2 3.51Å; G301-T304 WeakPolarHBondContact O-CB 3.44Å; G301-T304 PolarHBondContact O-N 2.8Å; T304-G307 PolarHBondContact O-N 3.12Å; T304-S308 WeakPolarHBondContact O-CB 3.42Å; T304-S308 PolarHBondContact O-N 3.5Å
305	A	96.9	Very high	96.4	Very high	0 Å²	0	22 Å²	22	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-64.2	-45.7	176	0	0	0	0	0	112.8	G301 A302 L303 G307 S308 Y309 A406	G301-A305 PolarHBondContact O-N 2.9Å; G301-A305 VanDerWaalsContact O-N 3.12Å; A302-A305 WeakPolarHBondContact O-CB 3.11Å; A302-A305 PolarHBondContact O-N 2.81Å; A302-A305 VanDerWaalsContact O-N 3.16Å; L303-A305 VanDerWaalsContact C-N 3.29Å; L303-A305 PolarHBondContact O-N 2.92Å; A305-G307 VanDerWaalsContact C-N 3.34Å; A305-G307 PolarHBondContact O-N 3.24Å; A305-S308 WeakPolarHBondContact O-CB 3.39Å; A305-S308 PolarHBondContact O-N 3.33Å; A305-S308 VanDerWaalsContact O-N 3.15Å; A305-S308 PolarHBondContact O-OG 2.91Å; A305-Y309 WeakPolarHBondContact O-CD2 3.22Å; A305-Y309 WeakPolarHBondContact O-CE2 3.45Å; A305-A406 HydrophobicContact CB-CB 3.79Å
306	L	97.8	Very high	96.4	Very high	4 Å²	4	21.9 Å²	21.9	2%	0.021	10%	0.099	C	C	.	.	H	α-helix	trans	-62.9	-40.9	177.4	-66.4	178.2	0	0	0	112	W37 F43 A46 F50 A302 L303 S308 Y309	W37-L306 HydrophobicContact CH2-CD2 4.26Å; W37-L306 HydrophobicContact CZ2-CD2 3.87Å; W37-L306 PolarHBondContact NE1-O 3.46Å; F43-L306 HydrophobicContact CD2-CB 4.46Å; F43-L306 HydrophobicContact CE2-CB 4.11Å; A46-L306 HydrophobicContact CB-CD2 4.32Å; F50-L306 HydrophobicContact CB-CD1 4.19Å; F50-L306 HydrophobicContact CD1-CD1 4.11Å; F50-L306 HydrophobicContact CG-CD1 4.36Å; A302-L306 WeakPolarHBondContact O-CG 3.32Å; A302-L306 PolarHBondContact O-N 2.86Å; L303-L306 PolarHBondContact O-N 3.48Å; L306-S308 VanDerWaalsContact C-N 3.3Å; L306-S308 PolarHBondContact O-N 3.02Å; L306-Y309 PolarHBondContact O-N 3.36Å
307	G	97.9	Very high	96.4	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-63.2	-35	173.9	0	0	0	0	0	112.4	Q96 L303 T304 A305 Y309 N310	Q96-G307 VanDerWaalsContact CA-O 3.26Å; Q96-G307 WeakPolarHBondContact CA-O 3.05Å; Q96-G307 PolarHBondContact N-O 3.06Å; L303-G307 PolarHBondContact O-N 3.45Å; T304-G307 PolarHBondContact O-N 3.12Å; A305-G307 VanDerWaalsContact C-N 3.34Å; A305-G307 PolarHBondContact O-N 3.24Å; G307-Y309 PolarHBondContact O-N 3.31Å; G307-Y309 VanDerWaalsContact O-N 3.1Å; G307-N310 VanDerWaalsContact O-CB 3.25Å; G307-N310 WeakPolarHBondContact O-CB 3.19Å; G307-N310 PolarHBondContact O-N 2.97Å
308	S	96.4	Very high	96.4	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-60.8	-22.3	178.9	84.3	0	0	0	0	114.8	R34 R36 G95 K100 T304 A305 L306	R34-S308 WeakPolarHBondContact CD-O 3.49Å; R34-S308 PolarHBondContact NH1-OG 2.88Å; R36-S308 PolarHBondContact NH1-O 3.12Å; G95-S308 VanDerWaalsContact O-CA 3.24Å; G95-S308 WeakPolarHBondContact O-CA 3.41Å; K100-S308 WeakPolarHBondContact O-CB 3.24Å; T304-S308 WeakPolarHBondContact O-CB 3.42Å; T304-S308 PolarHBondContact O-N 3.5Å; A305-S308 WeakPolarHBondContact O-CB 3.39Å; A305-S308 PolarHBondContact O-N 3.33Å; A305-S308 VanDerWaalsContact O-N 3.15Å; A305-S308 PolarHBondContact O-OG 2.91Å; L306-S308 VanDerWaalsContact C-N 3.3Å; L306-S308 PolarHBondContact O-N 3.02Å
309	Y	95.9	Very high	96.5	Very high	7 Å²	7	30.1 Å²	30.1	3%	0.027	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-9.2	178.1	-58.8	-48.8	0	0	0	113.2	R34 D35 R36 W37 I233 A305 L306 G307 E402 A406	R34-Y309 HydrophobicContact CG-CD1 3.65Å; R34-Y309 HydrophobicContact CG-CE1 3.71Å; D35-Y309 WeakPolarHBondContact O-CD1 3.46Å; R36-Y309 VanDerWaalsContact CA-O 3.26Å; R36-Y309 WeakPolarHBondContact CA-O 3.44Å; R36-Y309 VanDerWaalsContact CD-O 3.24Å; R36-Y309 WeakPolarHBondContact CD-O 3.5Å; W37-Y309 VanDerWaalsContact CD1-C 3.47Å; W37-Y309 AromaticContact CZ2-CD2 3.92Å; W37-Y309 HydrophobicContact CZ2-CD2 3.92Å; W37-Y309 PolarHBondContact N-O 2.97Å; W37-Y309 VanDerWaalsContact N-O 3.16Å; I233-Y309 HydrophobicContact CD1-CD1 3.94Å; I233-Y309 HydrophobicContact CD1-CD2 3.99Å; I233-Y309 HydrophobicContact CD1-CG 3.62Å; I233-Y309 HydrophobicContact CG2-CD2 3.63Å; I233-Y309 HydrophobicContact CG2-CE2 3.39Å; I233-Y309 HydrophobicContact CG2-CG 4.34Å; A305-Y309 WeakPolarHBondContact O-CD2 3.22Å; A305-Y309 WeakPolarHBondContact O-CE2 3.45Å; L306-Y309 PolarHBondContact O-N 3.36Å; G307-Y309 PolarHBondContact O-N 3.31Å; G307-Y309 VanDerWaalsContact O-N 3.1Å; Y309-E402 HydrophobicContact CE2-CG 4.15Å; Y309-E402 PolarHBondContact OH-OE1 3.34Å; Y309-A406 WeakPolarHBondContact OH-CB 3.45Å
310	N	96.3	Very high	96.6	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.005	13%	0.131	C	C	.	.	S	Bend	trans	-64.9	152.1	171.7	-75.3	-29.4	0	0	0	111	R36 F43 Q96 G307 H314	R36-N310 PolarHBondContact NH1-O 3.23Å; F43-N310 VanDerWaalsContact CB-OD1 3.28Å; F43-N310 WeakPolarHBondContact CB-OD1 3.05Å; F43-N310 WeakPolarHBondContact CD2-ND2 3.28Å; F43-N310 VanDerWaalsContact CG-OD1 3.28Å; F43-N310 WeakPolarHBondContact CG-OD1 3.23Å; Q96-N310 HydrophobicContact CB-CB 4.39Å; Q96-N310 HydrophobicContact CG-CB 3.85Å; Q96-N310 PolarHBondContact OE1-ND2 3.49Å; Q96-N310 VanDerWaalsContact OE1-ND2 3.14Å; G307-N310 VanDerWaalsContact O-CB 3.25Å; G307-N310 WeakPolarHBondContact O-CB 3.19Å; G307-N310 PolarHBondContact O-N 2.97Å; N310-H314 HydrophobicContact CB-CB 3.96Å; N310-H314 PolarHBondContact OD1-CD2 2.92Å
311	R	94.4	Very high	96.6	Very high	164 Å²	164	34.4 Å²	34.4	62%	0.619	15%	0.153	S	C	*	.			trans	-69.6	154.6	162.7	-60.3	-176.2	-169.9	-169.9	3.6	108.5	Q96 H313 H314	Q96-R311 PolarHBondContact NE2-O 3.34Å; R311-H313 VanDerWaalsContact C-N 3.27Å; R311-H313 PolarHBondContact O-N 3.1Å; R311-H314 VanDerWaalsContact O-CB 3.27Å; R311-H314 WeakPolarHBondContact O-CB 3.26Å; R311-H314 PolarHBondContact O-N 3.45Å
312	Y	93.1	Very high	96.7	Very high	17 Å²	17	38.3 Å²	38.3	7%	0.067	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-41.6	-175.7	-169.2	-113.5	0	0	0	113.4	Q96 F97 S487 M488 L589	Q96-Y312 PolarHBondContact NE2-O 2.91Å; F97-Y312 AromaticContact CD2-CE2 3.9Å; F97-Y312 HydrophobicContact CD2-CE2 3.9Å; F97-Y312 HydrophobicContact CE2-CE2 4.37Å; Y312-S487 WeakPolarHBondContact CE1-O 3.37Å; Y312-S487 PolarHBondContact OH-OG 2.68Å; Y312-M488 HydrophobicContact CD1-CG 4.39Å; Y312-M488 HydrophobicContact CD2-CG 3.76Å; Y312-M488 HydrophobicContact CD2-SD 4.34Å; Y312-M488 HydrophobicContact CE1-CG 4.08Å; Y312-M488 HydrophobicContact CE2-CG 3.47Å; Y312-M488 VanDerWaalsContact CE2-CG 3.47Å; Y312-M488 HydrophobicContact CE2-SD 4.21Å; Y312-M488 HydrophobicContact CG-CG 4.27Å; Y312-M488 WeakPolarHBondContact O-CB 3.28Å; Y312-L589 HydrophobicContact CD1-CD1 3.73Å; Y312-L589 HydrophobicContact CD1-CD2 4.4Å; Y312-L589 HydrophobicContact CD1-CG 4.49Å; Y312-L589 HydrophobicContact CD2-CD1 4.15Å; Y312-L589 HydrophobicContact CE1-CB 4Å; Y312-L589 HydrophobicContact CE1-CD1 3.91Å; Y312-L589 HydrophobicContact CE1-CD2 4.49Å; Y312-L589 HydrophobicContact CE1-CG 4.38Å; Y312-L589 HydrophobicContact CE2-CD1 4.25Å; Y312-L589 HydrophobicContact CG-CD1 3.84Å
313	H	94.6	Very high	96.8	Very high	129 Å²	129	38.4 Å²	38.4	60%	0.597	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.5	16.1	178.9	-57.7	-60.9	0	0	0	114.4	R311 N315 S487 M488	R311-H313 VanDerWaalsContact C-N 3.27Å; R311-H313 PolarHBondContact O-N 3.1Å; H313-N315 PolarHBondContact O-N 2.9Å; H313-S487 PolarHBondContact CE1-O 3.01Å; H313-S487 VanDerWaalsContact CE1-O 3.26Å; H313-S487 PolarHBondContact ND1-O 3.31Å; H313-M488 WeakPolarHBondContact CA-O 3.38Å; H313-M488 PolarHBondContact ND1-O 3.16Å
314	H	95.8	Very high	96.8	Very high	42 Å²	42	38.8 Å²	38.8	19%	0.194	18%	0.177	C	C	.	.			trans	-68.3	132.8	174.4	-171.8	70.4	0	0	0	109.6	K40 Q96 N310 R311 S316 D319 Y489	K40-H314 PolarHBondContact O-CE1 3.46Å; Q96-H314 PolarHBondContact NE2-O 2.92Å; N310-H314 HydrophobicContact CB-CB 3.96Å; N310-H314 PolarHBondContact OD1-CD2 2.92Å; R311-H314 VanDerWaalsContact O-CB 3.27Å; R311-H314 WeakPolarHBondContact O-CB 3.26Å; R311-H314 PolarHBondContact O-N 3.45Å; H314-S316 PolarHBondContact O-N 2.53Å; H314-D319 IonicContact CD2-OD2 3.48Å; H314-D319 IonicContact CE1-OD2 3.04Å; H314-D319 IonicContact NE2-OD2 3.7Å; H314-D319 PolarHBondContact NE2-OD2 2.94Å; H314-Y489 WeakPolarHBondContact O-CE1 3.48Å
315	N	95.9	Very high	96.8	Very high	68 Å²	68	40.9 Å²	40.9	36%	0.364	20%	0.198	S	C	.	.			trans	-80.3	71.9	-179	-171.2	-12	0	0	0	110.8	H313 V317 R318 D319	H313-N315 PolarHBondContact O-N 2.9Å; N315-V317 PolarHBondContact O-N 3.03Å; N315-V317 PolarHBondContact OD1-N 2.63Å; N315-R318 HydrophobicContact CB-CB 4.48Å; N315-R318 PolarHBondContact O-N 3.15Å; N315-R318 PolarHBondContact OD1-N 3.4Å; N315-D319 PolarHBondContact O-N 3.4Å
316	S	96.5	Very high	96.8	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-69.1	-19.9	177	48.6	0	0	0	0	113.1	Q96 H314 D319 C320 Y489	Q96-S316 VanDerWaalsContact OE1-CB 3.26Å; Q96-S316 PolarHBondContact OE1-OG 3.01Å; H314-S316 PolarHBondContact O-N 2.53Å; S316-D319 PolarHBondContact O-N 2.97Å; S316-C320 WeakPolarHBondContact O-CB 3.4Å; S316-C320 PolarHBondContact O-N 3.46Å; S316-C320 PolarHBondContact O-SG 2.91Å; S316-Y489 WeakPolarHBondContact OG-CE1 3.37Å; S316-Y489 PolarHBondContact OG-OH 3.16Å
317	V	96.8	Very high	96.8	Very high	14 Å²	14	41.6 Å²	41.6	9%	0.085	21%	0.205	C	C	.	.	H	α-helix	trans	-58.2	-50.8	171.2	176.2	0	0	0	0	110.4	L89 N315 D319 C320 L321 Y489 F491 F493	L89-V317 HydrophobicContact CD1-CB 4.5Å; L89-V317 HydrophobicContact CD1-CG2 3.95Å; L89-V317 HydrophobicContact CD2-CG2 4.33Å; N315-V317 PolarHBondContact O-N 3.03Å; N315-V317 PolarHBondContact OD1-N 2.63Å; V317-D319 VanDerWaalsContact C-N 3.28Å; V317-D319 PolarHBondContact O-N 3.05Å; V317-C320 PolarHBondContact O-N 3.3Å; V317-L321 HydrophobicContact CG1-CD1 4.39Å; V317-L321 WeakPolarHBondContact O-CG 3.41Å; V317-L321 PolarHBondContact O-N 2.92Å; V317-L321 VanDerWaalsContact O-N 3.08Å; V317-Y489 HydrophobicContact CG2-CD1 4.16Å; V317-Y489 HydrophobicContact CG2-CD2 3.72Å; V317-Y489 HydrophobicContact CG2-CE1 4.06Å; V317-Y489 HydrophobicContact CG2-CE2 3.63Å; V317-Y489 HydrophobicContact CG2-CG 3.99Å; V317-F491 HydrophobicContact CB-CZ 4.27Å; V317-F491 HydrophobicContact CG1-CZ 4.34Å; V317-F491 HydrophobicContact CG2-CZ 4.18Å; V317-F493 HydrophobicContact CB-CZ 4.31Å; V317-F493 HydrophobicContact CG1-CE1 4.45Å; V317-F493 HydrophobicContact CG1-CZ 3.76Å; V317-F493 HydrophobicContact CG2-CE2 3.83Å; V317-F493 HydrophobicContact CG2-CZ 3.64Å
318	R	96.6	Very high	96.8	Very high	159 Å²	159	42.2 Å²	42.2	60%	0.6	21%	0.209	S	C	*	.	H	α-helix	trans	-56.8	-46.2	177.2	176.5	-171.9	172.2	-172.8	-2	110.7	N315 L321 L322	N315-R318 HydrophobicContact CB-CB 4.48Å; N315-R318 PolarHBondContact O-N 3.15Å; N315-R318 PolarHBondContact OD1-N 3.4Å; R318-L321 PolarHBondContact O-N 3.1Å; R318-L322 HydrophobicContact CG-CD1 4.06Å; R318-L322 HydrophobicContact CG-CG 4.5Å; R318-L322 WeakPolarHBondContact O-CG 3.29Å; R318-L322 PolarHBondContact O-N 2.7Å
319	D	98.4	Very high	96.8	Very high	8 Å²	8	47.6 Å²	47.6	4%	0.043	23%	0.233	C	C	.	.	H	α-helix	trans	-67	-38.1	-177.8	-66	-12.6	0	0	0	111.5	F43 L44 H314 N315 S316 V317 L321 L322 F323	F43-D319 HydrophobicContact CD1-CB 3.78Å; F43-D319 WeakPolarHBondContact CD1-OD2 3.3Å; F43-D319 HydrophobicContact CE1-CB 3.88Å; L44-D319 HydrophobicContact CB-CB 4.15Å; L44-D319 HydrophobicContact CD1-CB 4.32Å; L44-D319 WeakPolarHBondContact CD1-O 3.29Å; H314-D319 IonicContact CD2-OD2 3.48Å; H314-D319 IonicContact CE1-OD2 3.04Å; H314-D319 IonicContact NE2-OD2 3.7Å; H314-D319 PolarHBondContact NE2-OD2 2.94Å; N315-D319 PolarHBondContact O-N 3.4Å; S316-D319 PolarHBondContact O-N 2.97Å; V317-D319 VanDerWaalsContact C-N 3.28Å; V317-D319 PolarHBondContact O-N 3.05Å; D319-L321 VanDerWaalsContact C-N 3.34Å; D319-L321 PolarHBondContact O-N 3.14Å; D319-L322 PolarHBondContact O-N 2.96Å; D319-F323 WeakPolarHBondContact O-CB 3.3Å; D319-F323 PolarHBondContact O-N 2.85Å
320	C	98.1	Very high	96.9	Very high	3 Å²	3	47.3 Å²	47.3	2%	0.02	23%	0.231	C	C	.	.	H	α-helix	trans	-61.5	-40.6	174.1	-67.2	0	0	0	0	111.9	F88 L89 S316 V317 A324	F88-C320 HydrophobicContact CD1-CB 4.08Å; F88-C320 VanDerWaalsContact CD1-SG 3.57Å; F88-C320 HydrophobicContact CE1-CB 4.41Å; L89-C320 HydrophobicContact CD1-CB 4.43Å; S316-C320 WeakPolarHBondContact O-CB 3.4Å; S316-C320 PolarHBondContact O-N 3.46Å; S316-C320 PolarHBondContact O-SG 2.91Å; V317-C320 PolarHBondContact O-N 3.3Å; C320-A324 WeakPolarHBondContact O-CB 3.27Å; C320-A324 PolarHBondContact O-N 3.22Å
321	L	97.8	Very high	97	Very high	103 Å²	103	47.2 Å²	47.2	54%	0.539	23%	0.231	S	C	.	.	H	α-helix	trans	-69.6	-41.3	177.5	-67.2	174.7	0	0	0	112.3	V85 V317 R318 D319 A324 G325	V85-L321 HydrophobicContact CG1-CD2 3.99Å; V317-L321 HydrophobicContact CG1-CD1 4.39Å; V317-L321 WeakPolarHBondContact O-CG 3.41Å; V317-L321 PolarHBondContact O-N 2.92Å; V317-L321 VanDerWaalsContact O-N 3.08Å; R318-L321 PolarHBondContact O-N 3.1Å; D319-L321 VanDerWaalsContact C-N 3.34Å; D319-L321 PolarHBondContact O-N 3.14Å; L321-A324 PolarHBondContact O-N 3.12Å; L321-G325 PolarHBondContact O-N 3.16Å; L321-G325 VanDerWaalsContact O-N 3.14Å
322	L	98.5	Very high	97.1	Very high	84 Å²	84	41.4 Å²	41.4	44%	0.44	21%	0.212	S	C	.	.	H	α-helix	trans	-64.6	-42.5	174.6	-71	175.1	0	0	0	111.4	L44 R318 D319 G325 A326	L44-L322 HydrophobicContact CD1-CB 4.07Å; L44-L322 HydrophobicContact CD2-CB 4.14Å; L44-L322 HydrophobicContact CD2-CD1 3.97Å; R318-L322 HydrophobicContact CG-CD1 4.06Å; R318-L322 HydrophobicContact CG-CG 4.5Å; R318-L322 WeakPolarHBondContact O-CG 3.29Å; R318-L322 PolarHBondContact O-N 2.7Å; D319-L322 PolarHBondContact O-N 2.96Å; L322-G325 PolarHBondContact O-N 3.47Å; L322-A326 WeakPolarHBondContact O-CB 3.32Å; L322-A326 PolarHBondContact O-N 3.16Å
323	F	98.1	Very high	97.3	Very high	1 Å²	1	41.3 Å²	41.3	0%	0.004	21%	0.212	C	C	.	.	H	α-helix	trans	-57.3	-49.4	173.4	161.8	-101.5	0	0	0	111.2	L44 C47 M48 S51 I52 F88 Y296 D319 G325 A326 N327	L44-F323 HydrophobicContact CD1-CB 4.02Å; C47-F323 HydrophobicContact CB-CD2 4.18Å; C47-F323 HydrophobicContact CB-CG 4.45Å; M48-F323 HydrophobicContact CG-CD2 4.29Å; S51-F323 VanDerWaalsContact CB-CZ 3.45Å; I52-F323 HydrophobicContact CG1-CE2 4.24Å; F88-F323 HydrophobicContact CD1-CD1 4.14Å; F88-F323 HydrophobicContact CD1-CE1 4.41Å; F88-F323 HydrophobicContact CD2-CD1 4.07Å; F88-F323 AromaticContact CD2-CE1 3.52Å; F88-F323 HydrophobicContact CD2-CE1 3.52Å; F88-F323 HydrophobicContact CD2-CZ 4.25Å; F88-F323 AromaticContact CE1-CD1 3.79Å; F88-F323 HydrophobicContact CE1-CD1 3.79Å; F88-F323 HydrophobicContact CE1-CE1 4.2Å; F88-F323 HydrophobicContact CE1-CG 4.34Å; F88-F323 AromaticContact CE2-CD1 3.7Å; F88-F323 HydrophobicContact CE2-CD1 3.7Å; F88-F323 AromaticContact CE2-CE1 3.24Å; F88-F323 HydrophobicContact CE2-CE1 3.24Å; F88-F323 HydrophobicContact CE2-CE2 4.42Å; F88-F323 HydrophobicContact CE2-CG 4.45Å; F88-F323 AromaticContact CE2-CZ 3.67Å; F88-F323 HydrophobicContact CE2-CZ 3.67Å; F88-F323 HydrophobicContact CG-CD1 4.27Å; F88-F323 HydrophobicContact CG-CE1 4.11Å; F88-F323 AromaticContact CZ-CD1 3.56Å; F88-F323 HydrophobicContact CZ-CD1 3.56Å; F88-F323 HydrophobicContact CZ-CD2 4.48Å; F88-F323 AromaticContact CZ-CE1 3.63Å; F88-F323 HydrophobicContact CZ-CE1 3.63Å; F88-F323 HydrophobicContact CZ-CG 4.02Å; F88-F323 HydrophobicContact CZ-CZ 4.15Å; Y296-F323 AromaticContact CD1-CE1 3.65Å; Y296-F323 HydrophobicContact CD1-CE1 3.65Å; Y296-F323 HydrophobicContact CD1-CZ 4.43Å; Y296-F323 HydrophobicContact CD2-CE1 4.33Å; Y296-F323 HydrophobicContact CD2-CZ 4.42Å; Y296-F323 HydrophobicContact CE1-CD1 4.44Å; Y296-F323 AromaticContact CE1-CE1 3.82Å; Y296-F323 HydrophobicContact CE1-CE1 3.82Å; Y296-F323 HydrophobicContact CE2-CE1 4.49Å; Y296-F323 AromaticContact CG-CE1 3.9Å; Y296-F323 HydrophobicContact CG-CE1 3.9Å; Y296-F323 HydrophobicContact CG-CZ 4.24Å; D319-F323 WeakPolarHBondContact O-CB 3.3Å; D319-F323 PolarHBondContact O-N 2.85Å; F323-G325 VanDerWaalsContact C-N 3.3Å; F323-G325 PolarHBondContact O-N 2.97Å; F323-A326 PolarHBondContact O-N 3.38Å; F323-A326 VanDerWaalsContact O-N 3.11Å; F323-N327 HydrophobicContact CE2-CB 4.02Å; F323-N327 HydrophobicContact CZ-CB 3.99Å; F323-N327 WeakPolarHBondContact O-CB 3.25Å; F323-N327 PolarHBondContact O-N 3.12Å
324	A	98.4	Very high	97.4	Very high	9 Å²	9	35.2 Å²	35.2	7%	0.074	18%	0.184	C	C	.	.	H	α-helix	trans	-57.5	-44.9	-179.7	0	0	0	0	0	111.7	V85 Y296 C320 L321 T328	V85-A324 HydrophobicContact CG2-CB 3.65Å; Y296-A324 HydrophobicContact CE1-CB 4.22Å; Y296-A324 VanDerWaalsContact OH-CA 3.31Å; Y296-A324 WeakPolarHBondContact OH-CA 3.3Å; Y296-A324 VanDerWaalsContact OH-CB 3.32Å; Y296-A324 WeakPolarHBondContact OH-CB 3.42Å; C320-A324 WeakPolarHBondContact O-CB 3.27Å; C320-A324 PolarHBondContact O-N 3.22Å; L321-A324 PolarHBondContact O-N 3.12Å; A324-T328 PolarHBondContact O-N 2.89Å; A324-T328 VanDerWaalsContact O-N 3.08Å; A324-T328 PolarHBondContact O-OG1 3.18Å
325	G	98.1	Very high	97.3	Very high	45 Å²	45	33.2 Å²	33.2	46%	0.464	18%	0.175	S	C	.	.	H	α-helix	trans	-60.7	-46	173.9	0	0	0	0	0	113	L321 L322 F323 F329	L321-G325 PolarHBondContact O-N 3.16Å; L321-G325 VanDerWaalsContact O-N 3.14Å; L322-G325 PolarHBondContact O-N 3.47Å; F323-G325 VanDerWaalsContact C-N 3.3Å; F323-G325 PolarHBondContact O-N 2.97Å; G325-F329 VanDerWaalsContact O-CB 3.22Å; G325-F329 WeakPolarHBondContact O-CB 3.39Å; G325-F329 PolarHBondContact O-N 3.39Å
326	A	97.7	Very high	97.4	Very high	20 Å²	20	33.1 Å²	33.1	17%	0.165	17%	0.172	C	C	.	.	H	α-helix	trans	-66.9	-40.4	179.8	0	0	0	0	0	113	M48 I52 L322 F323 F329 T330	M48-A326 HydrophobicContact CE-CB 3.89Å; M48-A326 HydrophobicContact SD-CB 4.27Å; I52-A326 HydrophobicContact CD1-CB 4.19Å; L322-A326 WeakPolarHBondContact O-CB 3.32Å; L322-A326 PolarHBondContact O-N 3.16Å; F323-A326 PolarHBondContact O-N 3.38Å; F323-A326 VanDerWaalsContact O-N 3.11Å; A326-F329 PolarHBondContact O-N 2.83Å; A326-T330 WeakPolarHBondContact O-CB 3.47Å; A326-T330 PolarHBondContact O-N 2.91Å; A326-T330 PolarHBondContact O-OG1 2.88Å
327	N	97.9	Very high	97.3	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-62.7	-49.3	177.2	-178.5	-75.6	0	0	0	111	I52 N56 S295 Y296 F323 T330 S331	I52-N327 HydrophobicContact CD1-CB 4.47Å; I52-N327 HydrophobicContact CG1-CB 4.15Å; N56-N327 PolarHBondContact ND2-ND2 3.24Å; N56-N327 PolarHBondContact ND2-O 3.45Å; N56-N327 PolarHBondContact ND2-OD1 2.73Å; S295-N327 PolarHBondContact O-ND2 2.96Å; S295-N327 PolarHBondContact OG-ND2 3.37Å; S295-N327 VanDerWaalsContact OG-ND2 3.11Å; S295-N327 PolarHBondContact OG-OD1 3.28Å; S295-N327 VanDerWaalsContact OG-OD1 3.1Å; Y296-N327 HydrophobicContact CE2-CB 4.12Å; Y296-N327 VanDerWaalsContact CE2-OD1 3.27Å; Y296-N327 WeakPolarHBondContact CE2-OD1 3.27Å; F323-N327 HydrophobicContact CE2-CB 4.02Å; F323-N327 HydrophobicContact CZ-CB 3.99Å; F323-N327 WeakPolarHBondContact O-CB 3.25Å; F323-N327 PolarHBondContact O-N 3.12Å; N327-T330 PolarHBondContact O-N 3.17Å; N327-S331 PolarHBondContact O-N 3.38Å; N327-S331 PolarHBondContact O-OG 3.41Å; N327-S331 VanDerWaalsContact O-OG 3.08Å
328	T	97.9	Very high	97.1	Very high	13 Å²	13	32.7 Å²	32.7	8%	0.08	17%	0.169	C	C	.	.	H	α-helix	trans	-64.9	-43	176.9	-64.8	0	0	0	0	112.1	Y76 F77 A324 T330 S331 L332	Y76-T328 HydrophobicContact CE1-CG2 3.76Å; Y76-T328 PolarHBondContact OH-OG1 3.18Å; F77-T328 HydrophobicContact CD1-CG2 4.48Å; F77-T328 HydrophobicContact CE1-CG2 3.6Å; F77-T328 HydrophobicContact CZ-CG2 4.08Å; A324-T328 PolarHBondContact O-N 2.89Å; A324-T328 VanDerWaalsContact O-N 3.08Å; A324-T328 PolarHBondContact O-OG1 3.18Å; T328-T330 VanDerWaalsContact C-N 3.29Å; T328-T330 PolarHBondContact O-N 3.33Å; T328-S331 WeakPolarHBondContact O-CB 3.45Å; T328-S331 PolarHBondContact O-N 3.11Å; T328-L332 HydrophobicContact CG2-CD1 4.25Å; T328-L332 WeakPolarHBondContact O-CG 3.32Å; T328-L332 PolarHBondContact O-N 3.16Å
329	F	97.5	Very high	97	Very high	113 Å²	113	25.3 Å²	25.3	50%	0.496	14%	0.141	S	C	.	.	H	α-helix	trans	-57	-43.5	174.2	172.1	-103.4	0	0	0	111.8	Y248 G325 A326 L332 L333	Y248-F329 HydrophobicContact CD1-CE1 4.29Å; Y248-F329 HydrophobicContact CE1-CD1 4.11Å; Y248-F329 HydrophobicContact CE1-CE1 4.1Å; G325-F329 VanDerWaalsContact O-CB 3.22Å; G325-F329 WeakPolarHBondContact O-CB 3.39Å; G325-F329 PolarHBondContact O-N 3.39Å; A326-F329 PolarHBondContact O-N 2.83Å; F329-L332 PolarHBondContact O-N 2.83Å; F329-L333 HydrophobicContact CE1-CD2 3.98Å; F329-L333 HydrophobicContact CZ-CD2 4.19Å; F329-L333 VanDerWaalsContact O-CB 3.3Å; F329-L333 WeakPolarHBondContact O-CB 3.2Å; F329-L333 PolarHBondContact O-N 3.11Å
330	T	97.6	Very high	96.8	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-63.9	-43.9	179.3	-56.9	0	0	0	0	112.2	I52 N56 Y248 M251 A326 N327 T328 L332 L333 A334	I52-T330 HydrophobicContact CG2-CG2 3.42Å; I52-T330 VanDerWaalsContact CG2-CG2 3.42Å; N56-T330 HydrophobicContact CB-CG2 4.21Å; Y248-T330 WeakPolarHBondContact CE1-OG1 3.46Å; Y248-T330 PolarHBondContact OH-OG1 3.42Å; M251-T330 HydrophobicContact CE-CG2 3.85Å; M251-T330 HydrophobicContact SD-CG2 4.24Å; A326-T330 WeakPolarHBondContact O-CB 3.47Å; A326-T330 PolarHBondContact O-N 2.91Å; A326-T330 PolarHBondContact O-OG1 2.88Å; N327-T330 PolarHBondContact O-N 3.17Å; T328-T330 VanDerWaalsContact C-N 3.29Å; T328-T330 PolarHBondContact O-N 3.33Å; T330-L332 VanDerWaalsContact C-N 3.31Å; T330-L332 PolarHBondContact O-N 3.44Å; T330-L333 PolarHBondContact O-N 3.27Å; T330-A334 WeakPolarHBondContact O-CB 3.18Å; T330-A334 PolarHBondContact O-N 3.32Å
331	S	97.2	Very high	96.6	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-56.7	-47	175	-59	0	0	0	0	111.4	N56 F60 N327 T328 G335	N56-S331 PolarHBondContact ND2-OG 3.27Å; F60-S331 WeakPolarHBondContact CD1-O 3.39Å; F60-S331 WeakPolarHBondContact CE1-O 3.49Å; N327-S331 PolarHBondContact O-N 3.38Å; N327-S331 PolarHBondContact O-OG 3.41Å; N327-S331 VanDerWaalsContact O-OG 3.08Å; T328-S331 WeakPolarHBondContact O-CB 3.45Å; T328-S331 PolarHBondContact O-N 3.11Å; S331-G335 PolarHBondContact O-N 2.6Å
332	L	97.2	Very high	96.2	Very high	41 Å²	41	20 Å²	20	22%	0.215	11%	0.113	C	C	.	.	H	α-helix	trans	-65.4	-47.5	179.1	-67.6	174.3	0	0	0	111.9	F60 L73 F77 Y271 T328 F329 T330 A334 G335 F336	F60-L332 HydrophobicContact CE1-CD2 4.26Å; F60-L332 HydrophobicContact CZ-CD2 4.04Å; L73-L332 HydrophobicContact CD1-CD2 4.34Å; L73-L332 HydrophobicContact CD2-CD2 3.83Å; F77-L332 HydrophobicContact CZ-CD1 4.44Å; Y271-L332 WeakPolarHBondContact OH-CA 3.48Å; Y271-L332 PolarHBondContact OH-O 3.12Å; T328-L332 HydrophobicContact CG2-CD1 4.25Å; T328-L332 WeakPolarHBondContact O-CG 3.32Å; T328-L332 PolarHBondContact O-N 3.16Å; F329-L332 PolarHBondContact O-N 2.83Å; T330-L332 VanDerWaalsContact C-N 3.31Å; T330-L332 PolarHBondContact O-N 3.44Å; L332-A334 VanDerWaalsContact C-N 3.34Å; L332-A334 PolarHBondContact O-N 3.32Å; L332-G335 WeakPolarHBondContact O-CA 3.18Å; L332-G335 PolarHBondContact O-N 3.22Å; L332-G335 VanDerWaalsContact O-N 3.12Å; L332-F336 WeakPolarHBondContact O-CD2 3.26Å; L332-F336 PolarHBondContact O-N 3.43Å; L332-F336 VanDerWaalsContact O-N 3.09Å
333	L	97.3	Very high	95.9	Very high	15 Å²	15	16 Å²	16	8%	0.079	9%	0.092	C	C	.	.	H	α-helix	trans	-57.6	-46.6	178.3	175.6	62.1	0	0	0	111.4	Y248 M251 I252 L255 F329 T330 G335 F336 V337	Y248-L333 HydrophobicContact CD1-CD2 4.2Å; M251-L333 HydrophobicContact CB-CD2 4.1Å; M251-L333 HydrophobicContact CB-CG 4.42Å; M251-L333 HydrophobicContact CE-CD2 4.15Å; M251-L333 HydrophobicContact SD-CD2 4.3Å; M251-L333 HydrophobicContact SD-CG 4.5Å; I252-L333 HydrophobicContact CG1-CD2 4.42Å; L255-L333 HydrophobicContact CD2-CD1 3.71Å; F329-L333 HydrophobicContact CE1-CD2 3.98Å; F329-L333 HydrophobicContact CZ-CD2 4.19Å; F329-L333 VanDerWaalsContact O-CB 3.3Å; F329-L333 WeakPolarHBondContact O-CB 3.2Å; F329-L333 PolarHBondContact O-N 3.11Å; T330-L333 PolarHBondContact O-N 3.27Å; L333-G335 VanDerWaalsContact C-N 3.3Å; L333-G335 PolarHBondContact O-N 3.23Å; L333-F336 WeakPolarHBondContact O-CB 3.5Å; L333-F336 PolarHBondContact O-N 3.42Å; L333-V337 WeakPolarHBondContact O-CG2 3.47Å; L333-V337 PolarHBondContact O-N 2.83Å
334	A	95.8	Very high	95.6	Very high	1 Å²	1	16.2 Å²	16.2	1%	0.008	9%	0.093	C	C	.	.	H	α-helix	trans	-64.1	-37.2	176.7	0	0	0	0	0	112	V57 M251 T330 L332 F336 V337 I338	V57-A334 HydrophobicContact CB-CB 4.09Å; V57-A334 HydrophobicContact CG1-CB 4.06Å; V57-A334 HydrophobicContact CG2-CB 4.02Å; M251-A334 HydrophobicContact SD-CB 4.29Å; T330-A334 WeakPolarHBondContact O-CB 3.18Å; T330-A334 PolarHBondContact O-N 3.32Å; L332-A334 VanDerWaalsContact C-N 3.34Å; L332-A334 PolarHBondContact O-N 3.32Å; A334-F336 VanDerWaalsContact C-N 3.31Å; A334-F336 PolarHBondContact O-N 3.13Å; A334-V337 PolarHBondContact O-N 3.27Å; A334-V337 VanDerWaalsContact O-N 3.14Å; A334-I338 WeakPolarHBondContact O-CG1 3.28Å; A334-I338 PolarHBondContact O-N 3.02Å
335	G	95.1	Very high	95.1	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-54.5	-45.8	171.2	0	0	0	0	0	112.8	S331 L332 L333 F339	S331-G335 PolarHBondContact O-N 2.6Å; L332-G335 WeakPolarHBondContact O-CA 3.18Å; L332-G335 PolarHBondContact O-N 3.22Å; L332-G335 VanDerWaalsContact O-N 3.12Å; L333-G335 VanDerWaalsContact C-N 3.3Å; L333-G335 PolarHBondContact O-N 3.23Å; G335-F339 WeakPolarHBondContact O-CB 3.27Å; G335-F339 WeakPolarHBondContact O-CD2 3.29Å; G335-F339 PolarHBondContact O-N 2.96Å
336	F	96.8	Very high	94.5	Very high	67 Å²	67	14.6 Å²	14.6	29%	0.294	7%	0.074	S	C	.	.	H	α-helix	trans	-61.6	-46	173.7	-75.4	-79.6	0	0	0	112.5	L255 I268 Y271 L272 L332 L333 A334 A340	L255-F336 HydrophobicContact CD1-CB 3.85Å; L255-F336 HydrophobicContact CD2-CB 4.42Å; I268-F336 HydrophobicContact CD1-CD1 4.33Å; I268-F336 HydrophobicContact CG1-CD1 4.22Å; I268-F336 HydrophobicContact CG2-CD1 4.02Å; I268-F336 HydrophobicContact CG2-CE1 3.8Å; Y271-F336 HydrophobicContact CE1-CD2 4.16Å; Y271-F336 HydrophobicContact CE1-CE2 4.25Å; Y271-F336 HydrophobicContact CE1-CG 4.35Å; L272-F336 HydrophobicContact CD1-CE1 3.88Å; L272-F336 HydrophobicContact CD1-CZ 3.79Å; L332-F336 WeakPolarHBondContact O-CD2 3.26Å; L332-F336 PolarHBondContact O-N 3.43Å; L332-F336 VanDerWaalsContact O-N 3.09Å; L333-F336 WeakPolarHBondContact O-CB 3.5Å; L333-F336 PolarHBondContact O-N 3.42Å; A334-F336 VanDerWaalsContact C-N 3.31Å; A334-F336 PolarHBondContact O-N 3.13Å; F336-A340 WeakPolarHBondContact O-CB 3.44Å; F336-A340 PolarHBondContact O-N 3.03Å
337	V	95.5	Very high	94.1	Very high	3 Å²	3	19.4 Å²	19.4	2%	0.018	9%	0.089	C	C	.	.	H	α-helix	trans	-59.2	-49.4	178.9	171.9	0	0	0	0	111.3	M251 L254 L255 L333 A334 T341 Y368	M251-V337 HydrophobicContact CB-CG2 4.31Å; M251-V337 VanDerWaalsContact O-CG2 3.32Å; M251-V337 WeakPolarHBondContact O-CG2 3.22Å; L254-V337 HydrophobicContact CB-CG1 4.02Å; L255-V337 HydrophobicContact CB-CG2 3.79Å; L255-V337 HydrophobicContact CD1-CG2 4.45Å; L333-V337 WeakPolarHBondContact O-CG2 3.47Å; L333-V337 PolarHBondContact O-N 2.83Å; A334-V337 PolarHBondContact O-N 3.27Å; A334-V337 VanDerWaalsContact O-N 3.14Å; V337-T341 WeakPolarHBondContact O-CB 3.28Å; V337-T341 PolarHBondContact O-N 2.72Å; V337-T341 PolarHBondContact O-OG1 3.47Å; V337-Y368 VanDerWaalsContact CG1-OH 3.25Å; V337-Y368 WeakPolarHBondContact CG1-OH 3.18Å; V337-Y368 PolarHBondContact O-OH 3.25Å
338	I	93	Very high	93.5	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.01	11%	0.11	C	C	.	.	H	α-helix	trans	-64.7	-51.5	-177.3	-63.5	-56.7	0	0	0	110.4	V57 P61 A334 T341 L342 Y368 F385	V57-I338 WeakPolarHBondContact O-CG1 3.41Å; P61-I338 HydrophobicContact CB-CB 4.21Å; P61-I338 HydrophobicContact CB-CG1 4.38Å; P61-I338 HydrophobicContact CB-CG2 4.35Å; P61-I338 HydrophobicContact CG-CB 4.46Å; P61-I338 HydrophobicContact CG-CG1 4.16Å; A334-I338 WeakPolarHBondContact O-CG1 3.28Å; A334-I338 PolarHBondContact O-N 3.02Å; I338-T341 WeakPolarHBondContact O-CB 3.46Å; I338-T341 PolarHBondContact O-N 2.86Å; I338-L342 HydrophobicContact CG2-CD1 3.99Å; I338-L342 HydrophobicContact CG2-CG 4.32Å; I338-L342 WeakPolarHBondContact O-CG 3.37Å; I338-L342 PolarHBondContact O-N 3.33Å; I338-Y368 HydrophobicContact CB-CE2 4.45Å; I338-Y368 HydrophobicContact CD1-CD2 3.67Å; I338-Y368 HydrophobicContact CD1-CE2 3.37Å; I338-Y368 HydrophobicContact CD1-CG 4.36Å; I338-Y368 HydrophobicContact CG1-CE2 4.44Å; I338-Y368 HydrophobicContact CG2-CE2 4.5Å; I338-F385 HydrophobicContact CD1-CE2 4.33Å
339	F	93.1	Very high	92.7	Very high	3 Å²	3	24.5 Å²	24.5	1%	0.013	12%	0.118	C	C	.	.	H	α-helix	trans	-75.2	-31.7	-174.9	-84.3	-87.5	0	0	0	113.9	P61 Y65 G267 Y271 G335 T341 L342 G343 I353	P61-F339 HydrophobicContact CB-CD2 4.25Å; P61-F339 HydrophobicContact CB-CE2 3.89Å; P61-F339 WeakPolarHBondContact O-CE2 3.32Å; Y65-F339 HydrophobicContact CD1-CZ 4.27Å; Y65-F339 AromaticContact CD2-CE1 3.99Å; Y65-F339 HydrophobicContact CD2-CE1 3.99Å; Y65-F339 HydrophobicContact CD2-CZ 4.18Å; Y65-F339 AromaticContact CG-CE1 3.9Å; Y65-F339 HydrophobicContact CG-CE1 3.9Å; Y65-F339 AromaticContact CG-CZ 3.63Å; Y65-F339 HydrophobicContact CG-CZ 3.63Å; G267-F339 VanDerWaalsContact CA-O 3.28Å; G267-F339 WeakPolarHBondContact CA-O 3.43Å; G267-F339 WeakPolarHBondContact O-CB 3.44Å; G267-F339 WeakPolarHBondContact O-CD1 3.5Å; Y271-F339 AromaticContact CD2-CD2 3.92Å; Y271-F339 HydrophobicContact CD2-CD2 3.92Å; Y271-F339 HydrophobicContact CD2-CE2 4.2Å; Y271-F339 HydrophobicContact CG-CB 4.38Å; Y271-F339 AromaticContact CG-CD2 3.95Å; Y271-F339 HydrophobicContact CG-CD2 3.95Å; Y271-F339 HydrophobicContact CG-CG 4.2Å; G335-F339 WeakPolarHBondContact O-CB 3.27Å; G335-F339 WeakPolarHBondContact O-CD2 3.29Å; G335-F339 PolarHBondContact O-N 2.96Å; F339-T341 VanDerWaalsContact C-N 3.25Å; F339-T341 PolarHBondContact O-N 3.02Å; F339-L342 HydrophobicContact CE1-CD1 4.42Å; F339-L342 PolarHBondContact O-N 2.91Å; F339-G343 PolarHBondContact O-N 3.21Å; F339-I353 HydrophobicContact CD1-CG2 4.48Å; F339-I353 HydrophobicContact CE1-CG2 4.2Å
340	A	95.4	Very high	92	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-58.8	-42	170	0	0	0	0	0	111	T258 A264 I268 F336 G343 N344	T258-A340 WeakPolarHBondContact OG1-CB 3.34Å; A264-A340 WeakPolarHBondContact CA-O 3.12Å; A264-A340 HydrophobicContact CB-CB 4.18Å; I268-A340 HydrophobicContact CD1-CB 4.31Å; I268-A340 HydrophobicContact CG1-CB 4.33Å; F336-A340 WeakPolarHBondContact O-CB 3.44Å; F336-A340 PolarHBondContact O-N 3.03Å; A340-G343 PolarHBondContact O-N 3.4Å; A340-N344 PolarHBondContact O-N 3.22Å
341	T	92.8	Very high	91.1	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-65.4	-48.1	176.1	-59.3	0	0	0	0	112.5	T258 V337 I338 F339 G343 N344 M345 Y368 A371 L372 M375	T258-T341 WeakPolarHBondContact CG2-OG1 3.41Å; V337-T341 WeakPolarHBondContact O-CB 3.28Å; V337-T341 PolarHBondContact O-N 2.72Å; V337-T341 PolarHBondContact O-OG1 3.47Å; I338-T341 WeakPolarHBondContact O-CB 3.46Å; I338-T341 PolarHBondContact O-N 2.86Å; F339-T341 VanDerWaalsContact C-N 3.25Å; F339-T341 PolarHBondContact O-N 3.02Å; T341-G343 VanDerWaalsContact C-N 3.3Å; T341-G343 PolarHBondContact O-N 3.22Å; T341-N344 PolarHBondContact O-N 3.48Å; T341-M345 PolarHBondContact O-N 2.83Å; T341-M345 VanDerWaalsContact O-N 3.09Å; T341-Y368 VanDerWaalsContact CB-CE2 3.49Å; T341-Y368 HydrophobicContact CG2-CD2 4.02Å; T341-Y368 HydrophobicContact CG2-CE2 3.42Å; T341-Y368 VanDerWaalsContact CG2-CE2 3.42Å; T341-Y368 PolarHBondContact OG1-OH 3.43Å; T341-A371 HydrophobicContact CG2-CB 3.5Å; T341-A371 VanDerWaalsContact CG2-CB 3.5Å; T341-L372 HydrophobicContact CG2-CD2 4.4Å; T341-M375 HydrophobicContact CG2-CE 3.57Å
342	L	89.6	Confident	90.4	Very high	2 Å²	2	30.6 Å²	30.6	1%	0.01	16%	0.16	C	C	.	.	H	α-helix	trans	-64.9	-34	178	-65.4	-178.4	0	0	0	112.5	I338 F339 M345 S346 I356 L363 I367	I338-L342 HydrophobicContact CG2-CD1 3.99Å; I338-L342 HydrophobicContact CG2-CG 4.32Å; I338-L342 WeakPolarHBondContact O-CG 3.37Å; I338-L342 PolarHBondContact O-N 3.33Å; F339-L342 HydrophobicContact CE1-CD1 4.42Å; F339-L342 PolarHBondContact O-N 2.91Å; L342-M345 PolarHBondContact O-N 3.34Å; L342-S346 VanDerWaalsContact O-CB 3.3Å; L342-S346 WeakPolarHBondContact O-CB 3.31Å; L342-S346 PolarHBondContact O-N 2.95Å; L342-I356 HydrophobicContact CD2-CG2 4.27Å; L342-L363 HydrophobicContact CD1-CD1 4.47Å; L342-I367 HydrophobicContact CD2-CG2 3.5Å; L342-I367 VanDerWaalsContact CD2-CG2 3.5Å
343	G	92.5	Very high	89.7	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-62.5	-42.1	175	0	0	0	0	0	112.5	G263 F339 A340 T341 Y347	G263-G343 VanDerWaalsContact C-C 3.46Å; G263-G343 CarbonylContact C-O 3.59Å; G263-G343 CarbonylContact O-C 3.52Å; G263-G343 VanDerWaalsContact O-CA 3.32Å; G263-G343 WeakPolarHBondContact O-CA 3.46Å; F339-G343 PolarHBondContact O-N 3.21Å; A340-G343 PolarHBondContact O-N 3.4Å; T341-G343 VanDerWaalsContact C-N 3.3Å; T341-G343 PolarHBondContact O-N 3.22Å; G343-Y347 PolarHBondContact O-N 2.64Å; G343-Y347 VanDerWaalsContact O-N 3.11Å
344	N	91.7	Very high	88.8	Confident	6 Å²	6	32.7 Å²	32.7	3%	0.032	17%	0.168	C	C	.	.	H	α-helix	trans	-64.5	-46	173.7	173.2	-114.1	0	0	0	112.6	L261 E262 A340 T341 S346 Y347 I348	L261-N344 HydrophobicContact CB-CB 3.96Å; L261-N344 HydrophobicContact CD1-CB 4.31Å; E262-N344 VanDerWaalsContact O-CA 3.23Å; E262-N344 WeakPolarHBondContact O-CA 3.34Å; E262-N344 WeakPolarHBondContact O-CB 3.45Å; E262-N344 PolarHBondContact O-ND2 3.31Å; A340-N344 PolarHBondContact O-N 3.22Å; T341-N344 PolarHBondContact O-N 3.48Å; N344-S346 VanDerWaalsContact C-N 3.34Å; N344-S346 PolarHBondContact O-N 2.87Å; N344-Y347 WeakPolarHBondContact O-CB 3.4Å; N344-Y347 PolarHBondContact O-N 3.36Å; N344-I348 WeakPolarHBondContact O-CG1 3.28Å; N344-I348 PolarHBondContact O-N 3.09Å; N344-I348 WeakPolarHBondContact OD1-CD1 3.44Å
345	M	87.4	Confident	87.7	Confident	4 Å²	4	38.2 Å²	38.2	2%	0.02	20%	0.196	C	C	.	.	H	α-helix	trans	-61.3	-43.6	177.6	-176.2	-174.2	165.8	0	0	111.8	T341 L342 Y347 I348 S349 I356 K370 A371	T341-M345 PolarHBondContact O-N 2.83Å; T341-M345 VanDerWaalsContact O-N 3.09Å; L342-M345 PolarHBondContact O-N 3.34Å; M345-Y347 VanDerWaalsContact C-N 3.26Å; M345-Y347 PolarHBondContact O-N 3.02Å; M345-I348 PolarHBondContact O-N 3.34Å; M345-S349 WeakPolarHBondContact O-CB 3.48Å; M345-S349 PolarHBondContact O-N 3.12Å; M345-S349 PolarHBondContact O-OG 2.94Å; M345-I356 HydrophobicContact CE-CG2 4.16Å; M345-I356 HydrophobicContact SD-CG2 4.02Å; M345-K370 HydrophobicContact CE-CB 4.41Å; M345-K370 HydrophobicContact CE-CD 3.44Å; M345-K370 VanDerWaalsContact CE-CD 3.44Å; M345-K370 HydrophobicContact CE-CG 3.58Å; M345-K370 HydrophobicContact SD-CG 4.31Å; M345-A371 HydrophobicContact CB-CB 3.99Å; M345-A371 HydrophobicContact CG-CB 4.29Å; M345-A371 HydrophobicContact SD-CB 3.69Å
346	S	86.6	Confident	86.5	Confident	17 Å²	17	38.8 Å²	38.8	12%	0.119	20%	0.199	C	C	.	.	H	α-helix	trans	-56.3	-42	175.7	173.3	0	0	0	0	112.1	L342 N344 N350 V351 I353	L342-S346 VanDerWaalsContact O-CB 3.3Å; L342-S346 WeakPolarHBondContact O-CB 3.31Å; L342-S346 PolarHBondContact O-N 2.95Å; N344-S346 VanDerWaalsContact C-N 3.34Å; N344-S346 PolarHBondContact O-N 2.87Å; S346-N350 VanDerWaalsContact O-CA 3.28Å; S346-N350 WeakPolarHBondContact O-CA 3.39Å; S346-N350 PolarHBondContact O-N 3.46Å; S346-V351 VanDerWaalsContact CA-O 3.3Å; S346-V351 WeakPolarHBondContact CA-O 3.19Å; S346-V351 VanDerWaalsContact CB-O 3.25Å; S346-V351 WeakPolarHBondContact CB-O 3.02Å; S346-V351 PolarHBondContact O-N 3.19Å; S346-V351 VanDerWaalsContact O-N 3.11Å; S346-V351 PolarHBondContact OG-O 2.88Å; S346-I353 VanDerWaalsContact CB-CG1 3.42Å
347	Y	89	Confident	85.1	Confident	120 Å²	120	36.3 Å²	36.3	47%	0.471	19%	0.191	S	C	.	.	H	α-helix	trans	-67.8	-46.7	176.9	176.5	-92.8	0	0	0	112.5	E262 G343 N344 M345 N350	E262-Y347 HydrophobicContact CB-CD1 3.8Å; E262-Y347 HydrophobicContact CB-CE1 3.51Å; E262-Y347 HydrophobicContact CB-CG 4.49Å; E262-Y347 HydrophobicContact CG-CE1 4.37Å; E262-Y347 WeakPolarHBondContact OE2-CE1 3.24Å; E262-Y347 PolarHBondContact OE2-OH 3.21Å; G343-Y347 PolarHBondContact O-N 2.64Å; G343-Y347 VanDerWaalsContact O-N 3.11Å; N344-Y347 WeakPolarHBondContact O-CB 3.4Å; N344-Y347 PolarHBondContact O-N 3.36Å; M345-Y347 VanDerWaalsContact C-N 3.26Å; M345-Y347 PolarHBondContact O-N 3.02Å; Y347-N350 PolarHBondContact O-N 3.45Å
348	I	84.9	Confident	83.6	Confident	86 Å²	86	39.5 Å²	39.5	44%	0.441	21%	0.206	S	C	.	.	H	α-helix	trans	-66.3	-43.2	-179.7	-68.4	173.2	0	0	0	111.7	N344 M345 N350	N344-I348 WeakPolarHBondContact O-CG1 3.28Å; N344-I348 PolarHBondContact O-N 3.09Å; N344-I348 WeakPolarHBondContact OD1-CD1 3.44Å; M345-I348 PolarHBondContact O-N 3.34Å; I348-N350 VanDerWaalsContact C-N 3.31Å
349	S	81.2	Confident	82.2	Confident	35 Å²	35	42.5 Å²	42.5	25%	0.245	23%	0.227	C	C	.	.	H	α-helix	trans	-82.6	-9	-179.3	-62	0	0	0	0	113.2	M345 V351	M345-S349 WeakPolarHBondContact O-CB 3.48Å; M345-S349 PolarHBondContact O-N 3.12Å; M345-S349 PolarHBondContact O-OG 2.94Å; S349-V351 PolarHBondContact O-N 3.02Å
350	N	82.3	Confident	81.1	Confident	146 Å²	146	44.7 Å²	44.7	78%	0.781	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	38.6	-171.9	-165.8	40.3	0	0	0	113	S346 Y347 I348	S346-N350 VanDerWaalsContact O-CA 3.28Å; S346-N350 WeakPolarHBondContact O-CA 3.39Å; S346-N350 PolarHBondContact O-N 3.46Å; Y347-N350 PolarHBondContact O-N 3.45Å; I348-N350 VanDerWaalsContact C-N 3.31Å
351	V	79.4	Confident	80.2	Confident	35 Å²	35	45.9 Å²	45.9	21%	0.212	26%	0.258	C	S	.	.			trans	-116.5	130.1	178.8	175.2	0	0	0	0	108.6	S346 S349 I353 L355 I356	S346-V351 VanDerWaalsContact CA-O 3.3Å; S346-V351 WeakPolarHBondContact CA-O 3.19Å; S346-V351 VanDerWaalsContact CB-O 3.25Å; S346-V351 WeakPolarHBondContact CB-O 3.02Å; S346-V351 PolarHBondContact O-N 3.19Å; S346-V351 VanDerWaalsContact O-N 3.11Å; S346-V351 PolarHBondContact OG-O 2.88Å; S349-V351 PolarHBondContact O-N 3.02Å; V351-I353 PolarHBondContact O-N 3.05Å; V351-L355 HydrophobicContact CG1-CB 4.05Å; V351-L355 HydrophobicContact CG1-CD1 4.46Å; V351-I356 HydrophobicContact CB-CD1 4.04Å; V351-I356 HydrophobicContact CB-CG1 4.34Å; V351-I356 HydrophobicContact CG1-CD1 4Å; V351-I356 HydrophobicContact CG1-CG1 3.76Å
352	P	82.7	Confident	79.7	Confident	59 Å²	59	46.2 Å²	46.2	38%	0.383	26%	0.262	S	S	.	.			trans	-55.8	137.4	176.3	-25.9	33.4	0	0	0	113.2	H354 L355	P352-H354 WeakPolarHBondContact CB-CE1 3.48Å; P352-H354 WeakPolarHBondContact CB-ND1 3.04Å; P352-H354 PolarHBondContact O-N 3.19Å; P352-H354 VanDerWaalsContact O-N 3.1Å; P352-L355 HydrophobicContact CG-CD1 4.33Å; P352-L355 PolarHBondContact O-N 3.37Å
353	I	82.1	Confident	79.4	Confident	1 Å²	1	46.5 Å²	46.5	1%	0.005	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-52.8	-36.6	-178.4	-68	158.2	0	0	0	112.5	N266 Y270 F339 S346 V351 L355 I356 A357	N266-I353 HydrophobicContact CB-CD1 4.5Å; Y270-I353 HydrophobicContact CD2-CB 4.35Å; Y270-I353 HydrophobicContact CD2-CD1 3.3Å; Y270-I353 HydrophobicContact CD2-CG1 4.36Å; Y270-I353 HydrophobicContact CE2-CD1 3.78Å; Y270-I353 HydrophobicContact CG-CB 4.4Å; Y270-I353 HydrophobicContact CG-CD1 3.94Å; F339-I353 HydrophobicContact CD1-CG2 4.48Å; F339-I353 HydrophobicContact CE1-CG2 4.2Å; S346-I353 VanDerWaalsContact CB-CG1 3.42Å; V351-I353 PolarHBondContact O-N 3.05Å; I353-L355 PolarHBondContact O-N 3.43Å; I353-L355 VanDerWaalsContact O-N 3.16Å; I353-I356 PolarHBondContact O-N 3.31Å; I353-A357 PolarHBondContact O-N 3.4Å; I353-A357 VanDerWaalsContact O-N 3.16Å
354	H	77.6	Confident	79.3	Confident	99 Å²	99	46.5 Å²	46.5	46%	0.458	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-64.7	-18.8	-178.3	68.9	-95.3	0	0	0	114.5	Y65 P352	Y65-H354 WeakPolarHBondContact OH-CA 3.31Å; Y65-H354 WeakPolarHBondContact OH-CB 3.46Å; P352-H354 WeakPolarHBondContact CB-CE1 3.48Å; P352-H354 WeakPolarHBondContact CB-ND1 3.04Å; P352-H354 PolarHBondContact O-N 3.19Å; P352-H354 VanDerWaalsContact O-N 3.1Å
355	L	73.1	Confident	79.4	Confident	117 Å²	117	46.3 Å²	46.3	61%	0.613	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-92.3	-6.9	175	-58.7	179.6	0	0	0	112.8	V351 P352 I353	V351-L355 HydrophobicContact CG1-CB 4.05Å; V351-L355 HydrophobicContact CG1-CD1 4.46Å; P352-L355 HydrophobicContact CG-CD1 4.33Å; P352-L355 PolarHBondContact O-N 3.37Å; I353-L355 PolarHBondContact O-N 3.43Å; I353-L355 VanDerWaalsContact O-N 3.16Å
356	I	70.4	Confident	79.6	Confident	12 Å²	12	46.3 Å²	46.3	6%	0.062	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.7	-28.8	-176.4	-55.9	169.7	0	0	0	111.1	L342 M345 V351 I353 E358 I367	L342-I356 HydrophobicContact CD2-CG2 4.27Å; M345-I356 HydrophobicContact CE-CG2 4.16Å; M345-I356 HydrophobicContact SD-CG2 4.02Å; V351-I356 HydrophobicContact CB-CD1 4.04Å; V351-I356 HydrophobicContact CB-CG1 4.34Å; V351-I356 HydrophobicContact CG1-CD1 4Å; V351-I356 HydrophobicContact CG1-CG1 3.76Å; I353-I356 PolarHBondContact O-N 3.31Å; I356-E358 PolarHBondContact O-N 3.09Å; I356-I367 HydrophobicContact CG2-CG2 3.61Å; I356-I367 VanDerWaalsContact O-CD1 3.31Å; I356-I367 WeakPolarHBondContact O-CD1 3.5Å; I356-I367 WeakPolarHBondContact O-CG1 3.37Å; I356-I367 WeakPolarHBondContact O-CG2 3.5Å
357	A	66.8	Low	79.6	Confident	15 Å²	15	45.9 Å²	45.9	12%	0.124	26%	0.259	C	S	.	.			trans	-79.8	81	-175.2	0	0	0	0	0	112.5	Y65 I353	Y65-A357 HydrophobicContact CD1-CB 3.97Å; Y65-A357 HydrophobicContact CE1-CB 3.79Å; I353-A357 PolarHBondContact O-N 3.4Å; I353-A357 VanDerWaalsContact O-N 3.16Å
358	E	65.3	Low	79.7	Confident	70 Å²	70	40.2 Å²	40.2	33%	0.327	24%	0.237	S	C	.	.			trans	-76.7	157.3	169.6	-67.1	-168.9	169.7	0	0	112.8	I356 L363 I367	I356-E358 PolarHBondContact O-N 3.09Å; E358-L363 WeakPolarHBondContact O-CB 3.44Å; E358-I367 HydrophobicContact CB-CG1 4.2Å; E358-I367 HydrophobicContact CG-CD1 4.34Å; E358-I367 HydrophobicContact CG-CG1 4.48Å
359	S	62.9	Low	80	Confident	66 Å²	66	36.1 Å²	36.1	46%	0.462	22%	0.216	S	C	.	.			trans	-86.5	167.4	174.3	18	0	0	0	0	114.3	Y62	Y62-S359 WeakPolarHBondContact OH-CB 3.4Å; Y62-S359 PolarHBondContact OH-OG 3.36Å
360	G	69.4	Low	80.5	Confident	49 Å²	49	37 Å²	37	51%	0.505	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.3	-155.2	165.1	0	0	0	0	0	112.6	G362 L363	G360-G362 PolarHBondContact O-N 3.01Å; G360-G362 VanDerWaalsContact O-N 3.13Å; G360-L363 PolarHBondContact O-N 3.39Å
361	P	77.4	Confident	80.9	Confident	24 Å²	24	30 Å²	30	16%	0.156	18%	0.178	C	C	.	.	H	α-helix	trans	-57	-26.3	176.8	-25	34.7	0	0	0	113	W136 W193 L363 A364 F365 M446 F449	W136-P361 HydrophobicContact CZ3-CB 4.11Å; W136-P361 HydrophobicContact CZ3-CG 4.13Å; W193-P361 HydrophobicContact CZ2-CB 4.04Å; P361-L363 VanDerWaalsContact C-N 3.3Å; P361-L363 PolarHBondContact O-N 2.9Å; P361-A364 PolarHBondContact O-N 3.37Å; P361-F365 HydrophobicContact CB-CD2 4.26Å; P361-F365 WeakPolarHBondContact O-CD2 3.48Å; P361-F365 PolarHBondContact O-N 3.49Å; P361-M446 HydrophobicContact CB-CE 4.04Å; P361-M446 HydrophobicContact CG-CE 4.15Å; P361-F449 HydrophobicContact CG-CE1 3.85Å
362	G	82.3	Confident	81.5	Confident	8 Å²	8	28.4 Å²	28.4	8%	0.082	17%	0.168	C	C	.	.	H	α-helix	trans	-57.1	-39.2	178.6	0	0	0	0	0	113.3	G360 A364 I366 I367	G360-G362 PolarHBondContact O-N 3.01Å; G360-G362 VanDerWaalsContact O-N 3.13Å; G362-A364 VanDerWaalsContact C-N 3.34Å; G362-A364 PolarHBondContact O-N 3.22Å; G362-I366 WeakPolarHBondContact O-CA 3.42Å; G362-I366 WeakPolarHBondContact O-CB 3.42Å; G362-I366 PolarHBondContact O-N 3.21Å; G362-I367 PolarHBondContact O-N 3.18Å
363	L	83.3	Confident	81.8	Confident	7 Å²	7	26.4 Å²	26.4	4%	0.037	16%	0.158	C	C	.	.	I	π-helix	trans	-59.4	-46.8	177.8	-172.1	58.9	0	0	0	111.8	L342 E358 G360 P361 I367 Y368	L342-L363 HydrophobicContact CD1-CD1 4.47Å; E358-L363 WeakPolarHBondContact O-CB 3.44Å; G360-L363 PolarHBondContact O-N 3.39Å; P361-L363 VanDerWaalsContact C-N 3.3Å; P361-L363 PolarHBondContact O-N 2.9Å; L363-I367 HydrophobicContact CD1-CB 4.2Å; L363-I367 HydrophobicContact CD1-CG2 4.23Å; L363-Y368 VanDerWaalsContact O-CB 3.31Å; L363-Y368 WeakPolarHBondContact O-CB 3.45Å; L363-Y368 PolarHBondContact O-N 2.97Å
364	A	90	Very high	82	Confident	1 Å²	1	29 Å²	29	1%	0.008	17%	0.174	C	C	.	.	I	π-helix	trans	-81	-32.9	-174	0	0	0	0	0	114.2	W58 P361 G362 P369	W58-A364 HydrophobicContact CD2-CB 3.64Å; W58-A364 VanDerWaalsContact CE2-CB 3.45Å; W58-A364 HydrophobicContact CE3-CB 3.81Å; W58-A364 HydrophobicContact CG-CB 4.15Å; W58-A364 HydrophobicContact CH2-CB 3.56Å; W58-A364 HydrophobicContact CZ2-CB 3.31Å; W58-A364 HydrophobicContact CZ3-CB 3.81Å; P361-A364 PolarHBondContact O-N 3.37Å; G362-A364 VanDerWaalsContact C-N 3.34Å; G362-A364 PolarHBondContact O-N 3.22Å; A364-P369 WeakPolarHBondContact O-CD 3.5Å; A364-P369 WeakPolarHBondContact O-CG 3.35Å
365	F	93.1	Very high	82.5	Confident	1 Å²	1	24.7 Å²	24.7	0%	0.004	15%	0.154	C	C	.	.	I	π-helix	trans	-114.1	-5.6	-170.9	-63.4	-76.7	0	0	0	114.3	W58 I133 W136 A137 F140 W193 P361 F386	W58-F365 AromaticContact CH2-CE2 3.85Å; W58-F365 HydrophobicContact CH2-CE2 3.85Å; W58-F365 AromaticContact CH2-CZ 3.85Å; W58-F365 HydrophobicContact CH2-CZ 3.85Å; W58-F365 HydrophobicContact CZ3-CE2 4.2Å; I133-F365 HydrophobicContact CG2-CE2 3.82Å; I133-F365 HydrophobicContact CG2-CZ 3.85Å; W136-F365 HydrophobicContact CB-CD1 4.17Å; W136-F365 HydrophobicContact CB-CE1 3.63Å; W136-F365 HydrophobicContact CB-CE2 4.31Å; W136-F365 HydrophobicContact CB-CZ 3.71Å; W136-F365 HydrophobicContact CE3-CD2 4.3Å; W136-F365 AromaticContact CE3-CE2 3.9Å; W136-F365 HydrophobicContact CE3-CE2 3.9Å; W136-F365 HydrophobicContact CE3-CZ 4.35Å; A137-F365 HydrophobicContact CB-CE1 4.29Å; A137-F365 HydrophobicContact CB-CZ 4.38Å; F140-F365 AromaticContact CD2-CD1 3.74Å; F140-F365 HydrophobicContact CD2-CD1 3.74Å; F140-F365 HydrophobicContact CD2-CE1 4.25Å; F140-F365 HydrophobicContact CE2-CB 4.21Å; F140-F365 AromaticContact CE2-CD1 3.65Å; F140-F365 HydrophobicContact CE2-CD1 3.65Å; F140-F365 HydrophobicContact CE2-CG 4.37Å; F140-F365 HydrophobicContact CG-CD1 4.32Å; F140-F365 HydrophobicContact CZ-CB 4.09Å; F140-F365 HydrophobicContact CZ-CD1 4.16Å; F140-F365 VanDerWaalsContact CZ-O 3.24Å; F140-F365 WeakPolarHBondContact CZ-O 3.22Å; W193-F365 HydrophobicContact CD2-CB 3.89Å; W193-F365 HydrophobicContact CE3-CB 3.55Å; W193-F365 HydrophobicContact CE3-CG 4.24Å; W193-F365 HydrophobicContact CH2-CB 3.6Å; W193-F365 HydrophobicContact CH2-CD1 4.21Å; W193-F365 AromaticContact CH2-CD2 3.75Å; W193-F365 HydrophobicContact CH2-CD2 3.75Å; W193-F365 HydrophobicContact CH2-CE2 4.49Å; W193-F365 AromaticContact CH2-CG 3.58Å; W193-F365 HydrophobicContact CH2-CG 3.58Å; W193-F365 HydrophobicContact CZ2-CB 3.94Å; W193-F365 HydrophobicContact CZ2-CD2 4.27Å; W193-F365 HydrophobicContact CZ2-CG 4.27Å; W193-F365 HydrophobicContact CZ3-CB 3.42Å; W193-F365 VanDerWaalsContact CZ3-CB 3.42Å; W193-F365 AromaticContact CZ3-CD1 3.88Å; W193-F365 HydrophobicContact CZ3-CD1 3.88Å; W193-F365 HydrophobicContact CZ3-CD2 4.23Å; W193-F365 AromaticContact CZ3-CG 3.58Å; W193-F365 HydrophobicContact CZ3-CG 3.58Å; P361-F365 HydrophobicContact CB-CD2 4.26Å; P361-F365 WeakPolarHBondContact O-CD2 3.48Å; P361-F365 PolarHBondContact O-N 3.49Å; F365-F386 AromaticContact CD1-CE1 3.78Å; F365-F386 HydrophobicContact CD1-CE1 3.78Å; F365-F386 HydrophobicContact CD1-CZ 4.41Å; F365-F386 HydrophobicContact CE1-CD1 4.35Å; F365-F386 AromaticContact CE1-CE1 3.74Å; F365-F386 HydrophobicContact CE1-CE1 3.74Å
366	I	91.1	Very high	83.3	Confident	4 Å²	4	23.4 Å²	23.4	2%	0.021	15%	0.153	C	C	.	.	I	π-helix	trans	-120.3	-64.1	173.7	-54.6	174.3	0	0	0	109.8	A189 S190 W193 G362 P369 K370 A528	A189-I366 HydrophobicContact CB-CG2 4.42Å; S190-I366 VanDerWaalsContact OG-CG2 3.29Å; S190-I366 WeakPolarHBondContact OG-CG2 3.29Å; W193-I366 HydrophobicContact CB-CD1 4.33Å; W193-I366 HydrophobicContact CB-CG1 3.74Å; W193-I366 VanDerWaalsContact CD1-CD1 3.44Å; W193-I366 HydrophobicContact CD2-CG1 4.48Å; W193-I366 HydrophobicContact CG-CD1 4.05Å; W193-I366 HydrophobicContact CG-CG1 3.66Å; G362-I366 WeakPolarHBondContact O-CA 3.42Å; G362-I366 WeakPolarHBondContact O-CB 3.42Å; G362-I366 PolarHBondContact O-N 3.21Å; I366-P369 WeakPolarHBondContact O-CD 3.16Å; I366-K370 WeakPolarHBondContact O-CB 3.46Å; I366-K370 PolarHBondContact O-N 3.46Å; I366-A528 HydrophobicContact CD1-CB 4.24Å
367	I	87.6	Confident	84.3	Confident	8 Å²	8	24.9 Å²	24.9	4%	0.041	17%	0.171	C	C	.	.	I	π-helix	trans	-69.6	-49.2	-169	-57.6	-57.2	0	0	0	111.7	L342 I356 E358 G362 L363 K370 A371	L342-I367 HydrophobicContact CD2-CG2 3.5Å; L342-I367 VanDerWaalsContact CD2-CG2 3.5Å; I356-I367 HydrophobicContact CG2-CG2 3.61Å; I356-I367 VanDerWaalsContact O-CD1 3.31Å; I356-I367 WeakPolarHBondContact O-CD1 3.5Å; I356-I367 WeakPolarHBondContact O-CG1 3.37Å; I356-I367 WeakPolarHBondContact O-CG2 3.5Å; E358-I367 HydrophobicContact CB-CG1 4.2Å; E358-I367 HydrophobicContact CG-CD1 4.34Å; E358-I367 HydrophobicContact CG-CG1 4.48Å; G362-I367 PolarHBondContact O-N 3.18Å; L363-I367 HydrophobicContact CD1-CB 4.2Å; L363-I367 HydrophobicContact CD1-CG2 4.23Å; I367-K370 WeakPolarHBondContact O-CB 3.14Å; I367-K370 PolarHBondContact O-N 2.84Å; I367-A371 PolarHBondContact O-N 3.14Å
368	Y	90.4	Very high	85.6	Confident	1 Å²	1	24.9 Å²	24.9	0%	0.004	17%	0.17	C	C	.	.	H	α-helix	trans	-67.1	-43.4	-179.3	-150.9	-101.3	0	0	0	112.9	V337 I338 T341 L363 K370 A371 L372 F385	V337-Y368 VanDerWaalsContact CG1-OH 3.25Å; V337-Y368 WeakPolarHBondContact CG1-OH 3.18Å; V337-Y368 PolarHBondContact O-OH 3.25Å; I338-Y368 HydrophobicContact CB-CE2 4.45Å; I338-Y368 HydrophobicContact CD1-CD2 3.67Å; I338-Y368 HydrophobicContact CD1-CE2 3.37Å; I338-Y368 HydrophobicContact CD1-CG 4.36Å; I338-Y368 HydrophobicContact CG1-CE2 4.44Å; I338-Y368 HydrophobicContact CG2-CE2 4.5Å; T341-Y368 VanDerWaalsContact CB-CE2 3.49Å; T341-Y368 HydrophobicContact CG2-CD2 4.02Å; T341-Y368 HydrophobicContact CG2-CE2 3.42Å; T341-Y368 VanDerWaalsContact CG2-CE2 3.42Å; T341-Y368 PolarHBondContact OG1-OH 3.43Å; L363-Y368 VanDerWaalsContact O-CB 3.31Å; L363-Y368 WeakPolarHBondContact O-CB 3.45Å; L363-Y368 PolarHBondContact O-N 2.97Å; Y368-K370 VanDerWaalsContact C-N 3.28Å; Y368-K370 PolarHBondContact O-N 3.35Å; Y368-A371 PolarHBondContact O-N 3.4Å; Y368-A371 VanDerWaalsContact O-N 3.14Å; Y368-L372 HydrophobicContact CD1-CD1 3.65Å; Y368-L372 HydrophobicContact CD1-CD2 4.41Å; Y368-L372 HydrophobicContact CD1-CG 3.82Å; Y368-L372 HydrophobicContact CE1-CD1 3.69Å; Y368-L372 HydrophobicContact CE1-CD2 3.89Å; Y368-L372 HydrophobicContact CE1-CG 3.8Å; Y368-L372 WeakPolarHBondContact O-CG 3.46Å; Y368-L372 PolarHBondContact O-N 3.5Å; Y368-F385 AromaticContact CD1-CD1 3.67Å; Y368-F385 HydrophobicContact CD1-CD1 3.67Å; Y368-F385 AromaticContact CD1-CD2 3.48Å; Y368-F385 HydrophobicContact CD1-CD2 3.48Å; Y368-F385 VanDerWaalsContact CD1-CD2 3.48Å; Y368-F385 AromaticContact CD1-CE1 3.43Å; Y368-F385 HydrophobicContact CD1-CE1 3.43Å; Y368-F385 VanDerWaalsContact CD1-CE1 3.43Å; Y368-F385 AromaticContact CD1-CE2 3.22Å; Y368-F385 HydrophobicContact CD1-CE2 3.22Å; Y368-F385 AromaticContact CD1-CG 3.67Å; Y368-F385 HydrophobicContact CD1-CG 3.67Å; Y368-F385 AromaticContact CD1-CZ 3.17Å; Y368-F385 HydrophobicContact CD1-CZ 3.17Å; Y368-F385 HydrophobicContact CE1-CB 4.33Å; Y368-F385 HydrophobicContact CE1-CD1 4.17Å; Y368-F385 AromaticContact CE1-CD2 3.22Å; Y368-F385 HydrophobicContact CE1-CD2 3.22Å; Y368-F385 HydrophobicContact CE1-CE1 4.23Å; Y368-F385 AromaticContact CE1-CE2 3.3Å; Y368-F385 HydrophobicContact CE1-CE2 3.3Å; Y368-F385 AromaticContact CE1-CG 3.67Å; Y368-F385 HydrophobicContact CE1-CG 3.67Å; Y368-F385 AromaticContact CE1-CZ 3.81Å; Y368-F385 HydrophobicContact CE1-CZ 3.81Å; Y368-F385 HydrophobicContact CG-CE1 4.09Å; Y368-F385 AromaticContact CG-CE2 3.93Å; Y368-F385 HydrophobicContact CG-CE2 3.93Å; Y368-F385 AromaticContact CG-CZ 3.64Å; Y368-F385 HydrophobicContact CG-CZ 3.64Å
369	P	92.3	Very high	87	Confident	0 Å²	0	22.8 Å²	22.8	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-60.8	-37.7	174	-28.5	40.9	0	0	0	112.5	F140 W151 A364 I366 G373 F386	F140-P369 HydrophobicContact CD1-CB 4.48Å; F140-P369 HydrophobicContact CD1-CG 4.3Å; F140-P369 HydrophobicContact CE1-CB 4.01Å; F140-P369 HydrophobicContact CE1-CG 3.87Å; W151-P369 VanDerWaalsContact CD1-O 3.3Å; W151-P369 HydrophobicContact CD2-CB 4.28Å; W151-P369 HydrophobicContact CG-CB 4.24Å; W151-P369 HydrophobicContact CZ2-CB 4.37Å; W151-P369 PolarHBondContact NE1-O 2.86Å; A364-P369 WeakPolarHBondContact O-CD 3.5Å; A364-P369 WeakPolarHBondContact O-CG 3.35Å; I366-P369 WeakPolarHBondContact O-CD 3.16Å; P369-G373 PolarHBondContact O-N 3.15Å; P369-F386 HydrophobicContact CB-CZ 4.44Å; P369-F386 HydrophobicContact CG-CE2 4.17Å; P369-F386 HydrophobicContact CG-CZ 3.6Å
370	K	90.4	Very high	88.6	Confident	54 Å²	54	24.8 Å²	24.8	24%	0.235	17%	0.167	C	C	.	.	H	α-helix	trans	-59.3	-49	171.7	-174.9	175.9	178.9	179.5	0	111.3	D187 A189 M345 I366 I367 Y368 G373 T374	D187-K370 HydrophobicContact CB-CD 4.38Å; D187-K370 IonicContact OD1-NZ 2.59Å; D187-K370 PolarHBondContact OD1-NZ 3.26Å; D187-K370 IonicContact OD2-NZ 2.96Å; A189-K370 HydrophobicContact CB-CB 3.8Å; A189-K370 HydrophobicContact CB-CG 4.39Å; M345-K370 HydrophobicContact CE-CB 4.41Å; M345-K370 HydrophobicContact CE-CD 3.44Å; M345-K370 VanDerWaalsContact CE-CD 3.44Å; M345-K370 HydrophobicContact CE-CG 3.58Å; M345-K370 HydrophobicContact SD-CG 4.31Å; I366-K370 WeakPolarHBondContact O-CB 3.46Å; I366-K370 PolarHBondContact O-N 3.46Å; I367-K370 WeakPolarHBondContact O-CB 3.14Å; I367-K370 PolarHBondContact O-N 2.84Å; Y368-K370 VanDerWaalsContact C-N 3.28Å; Y368-K370 PolarHBondContact O-N 3.35Å; K370-G373 PolarHBondContact O-N 3.32Å; K370-T374 PolarHBondContact O-N 3.12Å
371	A	90.7	Very high	89.8	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-61.2	-48	178.2	0	0	0	0	0	112.2	T341 M345 I367 Y368 G373 T374	T341-A371 HydrophobicContact CG2-CB 3.5Å; T341-A371 VanDerWaalsContact CG2-CB 3.5Å; M345-A371 HydrophobicContact CB-CB 3.99Å; M345-A371 HydrophobicContact CG-CB 4.29Å; M345-A371 HydrophobicContact SD-CB 3.69Å; I367-A371 PolarHBondContact O-N 3.14Å; Y368-A371 PolarHBondContact O-N 3.4Å; Y368-A371 VanDerWaalsContact O-N 3.14Å; A371-G373 VanDerWaalsContact C-N 3.26Å; A371-G373 PolarHBondContact O-N 3.31Å; A371-T374 PolarHBondContact O-N 2.74Å; A371-T374 PolarHBondContact O-OG1 3.01Å
372	L	91.9	Very high	90.7	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-62.8	-33.8	176.8	-66.4	-177.7	0	0	0	112.3	T341 Y368 T374 M375 S378 W381 F385	T341-L372 HydrophobicContact CG2-CD2 4.4Å; Y368-L372 HydrophobicContact CD1-CD1 3.65Å; Y368-L372 HydrophobicContact CD1-CD2 4.41Å; Y368-L372 HydrophobicContact CD1-CG 3.82Å; Y368-L372 HydrophobicContact CE1-CD1 3.69Å; Y368-L372 HydrophobicContact CE1-CD2 3.89Å; Y368-L372 HydrophobicContact CE1-CG 3.8Å; Y368-L372 WeakPolarHBondContact O-CG 3.46Å; Y368-L372 PolarHBondContact O-N 3.5Å; L372-T374 PolarHBondContact O-N 2.88Å; L372-M375 HydrophobicContact CD2-CE 4.03Å; L372-M375 HydrophobicContact CD2-SD 3.89Å; L372-M375 WeakPolarHBondContact O-CB 3.34Å; L372-M375 PolarHBondContact O-N 2.9Å; L372-M375 VanDerWaalsContact O-N 3.09Å; L372-S378 WeakPolarHBondContact O-CB 3.47Å; L372-W381 HydrophobicContact CD2-CB 4.06Å; L372-F385 HydrophobicContact CD1-CB 3.71Å; L372-F385 HydrophobicContact CD1-CD1 4.11Å; L372-F385 HydrophobicContact CD1-CG 4Å
373	G	90.6	Very high	91.4	Very high	17 Å²	17	26.2 Å²	26.2	18%	0.175	15%	0.154	C	C	.	.	H	α-helix	trans	-59.8	-25.9	176.4	0	0	0	0	0	114.1	P369 K370 A371	P369-G373 PolarHBondContact O-N 3.15Å; K370-G373 PolarHBondContact O-N 3.32Å; A371-G373 VanDerWaalsContact C-N 3.26Å; A371-G373 PolarHBondContact O-N 3.31Å
374	T	86	Confident	91.9	Very high	57 Å²	57	26.6 Å²	26.6	35%	0.35	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-12.8	177.4	69.9	0	0	0	0	113.8	K370 A371 L372	K370-T374 PolarHBondContact O-N 3.12Å; A371-T374 PolarHBondContact O-N 2.74Å; A371-T374 PolarHBondContact O-OG1 3.01Å; L372-T374 PolarHBondContact O-N 2.88Å
375	M	88.5	Confident	92.2	Very high	7 Å²	7	26.5 Å²	26.5	3%	0.034	16%	0.156	C	C	.	.	S	Bend	trans	-84.9	142.6	-173.9	-61.3	-178.2	-173	0	0	111.9	T258 L261 T341 L372 G377 S378	T258-M375 HydrophobicContact CG2-CE 3.86Å; T258-M375 HydrophobicContact CG2-SD 4.32Å; L261-M375 HydrophobicContact CD1-CE 3.84Å; L261-M375 HydrophobicContact CD1-CG 3.96Å; L261-M375 HydrophobicContact CD1-SD 3.85Å; T341-M375 HydrophobicContact CG2-CE 3.57Å; L372-M375 HydrophobicContact CD2-CE 4.03Å; L372-M375 HydrophobicContact CD2-SD 3.89Å; L372-M375 WeakPolarHBondContact O-CB 3.34Å; L372-M375 PolarHBondContact O-N 2.9Å; L372-M375 VanDerWaalsContact O-N 3.09Å; M375-G377 PolarHBondContact O-N 3.47Å; M375-S378 VanDerWaalsContact O-CB 3.29Å; M375-S378 WeakPolarHBondContact O-CB 3.42Å; M375-S378 PolarHBondContact O-N 2.95Å
376	P	88.4	Confident	92.4	Very high	91 Å²	91	26.5 Å²	26.5	59%	0.591	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.3	131.2	167.1	-23.4	32.7	0	0	0	111.1	W381	P376-W381 PolarHBondContact O-NE1 2.97Å
377	G	91.2	Very high	92.7	Very high	42 Å²	42	28 Å²	28	43%	0.433	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.2	27.1	-174.5	0	0	0	0	0	113.9	M375 P379 I380	M375-G377 PolarHBondContact O-N 3.47Å; G377-P379 VanDerWaalsContact C-N 3.31Å; G377-P379 VanDerWaalsContact O-N 3.11Å; G377-I380 WeakPolarHBondContact O-CB 3.44Å; G377-I380 PolarHBondContact O-N 3.13Å
378	S	94	Very high	93	Very high	16 Å²	16	27.7 Å²	27.7	11%	0.112	16%	0.162	C	C	.	.	H	α-helix	trans	-46.8	-37.8	-174.7	57.3	0	0	0	0	116.1	L372 M375 I380 W381 S382	L372-S378 WeakPolarHBondContact O-CB 3.47Å; M375-S378 VanDerWaalsContact O-CB 3.29Å; M375-S378 WeakPolarHBondContact O-CB 3.42Å; M375-S378 PolarHBondContact O-N 2.95Å; S378-I380 VanDerWaalsContact C-N 3.28Å; S378-I380 PolarHBondContact O-N 3.47Å; S378-W381 PolarHBondContact O-N 2.83Å; S378-S382 WeakPolarHBondContact O-CB 3.34Å; S378-S382 PolarHBondContact O-N 3.1Å
379	P	96.5	Very high	93.3	Very high	26 Å²	26	27.7 Å²	27.7	17%	0.169	16%	0.162	C	C	.	.	H	α-helix	trans	-60.6	-35.1	178.1	-25.1	37	0	0	0	113.9	S146 L149 G377 F383	S146-P379 WeakPolarHBondContact O-CG 3.34Å; L149-P379 HydrophobicContact CD2-CB 4.3Å; L149-P379 HydrophobicContact CD2-CG 4.38Å; L149-P379 HydrophobicContact CG-CG 4.33Å; G377-P379 VanDerWaalsContact C-N 3.31Å; G377-P379 VanDerWaalsContact O-N 3.11Å; P379-F383 WeakPolarHBondContact O-CB 3.2Å; P379-F383 PolarHBondContact O-N 2.81Å
380	I	95.3	Very high	93.5	Very high	108 Å²	108	27.9 Å²	27.9	55%	0.554	16%	0.163	S	C	*	.	H	α-helix	trans	-67.4	-47.7	178.9	-61.9	170.7	0	0	0	109.9	G377 S378 F383 C384	G377-I380 WeakPolarHBondContact O-CB 3.44Å; G377-I380 PolarHBondContact O-N 3.13Å; S378-I380 VanDerWaalsContact C-N 3.28Å; S378-I380 PolarHBondContact O-N 3.47Å; I380-F383 PolarHBondContact O-N 3.34Å; I380-C384 PolarHBondContact O-N 2.94Å; I380-C384 PolarHBondContact O-SG 3.24Å; I380-C384 VanDerWaalsContact O-SG 3.32Å
381	W	95	Very high	93.9	Very high	43 Å²	43	26.6 Å²	26.6	16%	0.163	16%	0.159	C	C	.	.	H	α-helix	trans	-67.6	-38.8	-178.7	-51.5	122	0	0	0	112	T253 L254 R257 L372 P376 S378 C384 F385	T253-W381 HydrophobicContact CG2-CZ3 4.04Å; L254-W381 HydrophobicContact CD2-CB 4.12Å; L254-W381 HydrophobicContact CD2-CE3 4Å; R257-W381 HydrophobicContact CB-CE3 4.39Å; R257-W381 HydrophobicContact CB-CH2 3.85Å; R257-W381 HydrophobicContact CB-CZ2 4.16Å; R257-W381 HydrophobicContact CB-CZ3 3.98Å; R257-W381 VanDerWaalsContact CD-CZ2 3.47Å; R257-W381 HydrophobicContact CG-CD2 4.05Å; R257-W381 HydrophobicContact CG-CE3 4.26Å; R257-W381 HydrophobicContact CG-CH2 3.74Å; R257-W381 HydrophobicContact CG-CZ2 3.5Å; R257-W381 HydrophobicContact CG-CZ3 4.11Å; L372-W381 HydrophobicContact CD2-CB 4.06Å; P376-W381 PolarHBondContact O-NE1 2.97Å; S378-W381 PolarHBondContact O-N 2.83Å; W381-C384 PolarHBondContact O-N 3.29Å; W381-F385 WeakPolarHBondContact O-CB 3.45Å; W381-F385 PolarHBondContact O-N 3.33Å
382	S	96.4	Very high	94.1	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-59.1	-49.4	171.5	-179.2	0	0	0	0	111.5	S144 W151 S378 C384 F385 F386	S144-S382 PolarHBondContact OG-OG 3.42Å; W151-S382 VanDerWaalsContact CZ2-OG 3.26Å; W151-S382 WeakPolarHBondContact CZ2-OG 3.38Å; S378-S382 WeakPolarHBondContact O-CB 3.34Å; S378-S382 PolarHBondContact O-N 3.1Å; S382-C384 PolarHBondContact O-N 3.43Å; S382-F385 PolarHBondContact O-N 2.86Å; S382-F386 VanDerWaalsContact O-CD2 3.26Å; S382-F386 WeakPolarHBondContact O-CD2 3.34Å; S382-F386 PolarHBondContact O-N 2.88Å; S382-F386 WeakPolarHBondContact OG-CD2 2.92Å
383	F	96	Very high	94.3	Very high	68 Å²	68	26.9 Å²	26.9	30%	0.298	16%	0.16	S	C	.	.	H	α-helix	trans	-57.2	-49.2	176.7	176.3	-95.4	0	0	0	111.5	I141 F145 P379 I380 F385 F386 I387	I141-F383 HydrophobicContact CG2-CD2 4.27Å; I141-F383 HydrophobicContact CG2-CE2 4.18Å; F145-F383 HydrophobicContact CE1-CD2 4.4Å; F145-F383 HydrophobicContact CE1-CE2 4.31Å; F145-F383 HydrophobicContact CE2-CD2 4.33Å; F145-F383 HydrophobicContact CE2-CE2 4.2Å; F145-F383 AromaticContact CZ-CD2 3.9Å; F145-F383 HydrophobicContact CZ-CD2 3.9Å; F145-F383 AromaticContact CZ-CE2 3.59Å; F145-F383 HydrophobicContact CZ-CE2 3.59Å; P379-F383 WeakPolarHBondContact O-CB 3.2Å; P379-F383 PolarHBondContact O-N 2.81Å; I380-F383 PolarHBondContact O-N 3.34Å; F383-F385 VanDerWaalsContact C-N 3.31Å; F383-F385 PolarHBondContact O-N 3.46Å; F383-F386 PolarHBondContact O-N 3.06Å; F383-I387 HydrophobicContact CE1-CG2 4.28Å; F383-I387 HydrophobicContact CZ-CB 4.45Å; F383-I387 WeakPolarHBondContact O-CB 3.46Å; F383-I387 WeakPolarHBondContact O-CG2 3.42Å; F383-I387 PolarHBondContact O-N 3.29Å
384	C	95.4	Very high	94.6	Very high	14 Å²	14	26.4 Å²	26.4	10%	0.095	15%	0.154	C	C	.	.	H	α-helix	trans	-57.9	-40.8	177.2	-71.3	0	0	0	0	112.8	F250 L254 I380 W381 S382 I387 M388	F250-C384 HydrophobicContact CD1-CB 3.75Å; F250-C384 HydrophobicContact CE1-CB 4.34Å; F250-C384 HydrophobicContact CG-CB 4.49Å; L254-C384 HydrophobicContact CD2-CB 4.5Å; L254-C384 HydrophobicContact CG-CB 4.49Å; I380-C384 PolarHBondContact O-N 2.94Å; I380-C384 PolarHBondContact O-SG 3.24Å; I380-C384 VanDerWaalsContact O-SG 3.32Å; W381-C384 PolarHBondContact O-N 3.29Å; S382-C384 PolarHBondContact O-N 3.43Å; C384-I387 WeakPolarHBondContact O-CG2 3.28Å; C384-M388 VanDerWaalsContact O-CB 3.29Å; C384-M388 WeakPolarHBondContact O-CB 3.38Å; C384-M388 PolarHBondContact O-N 3.31Å
385	F	95.7	Very high	95.1	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-66.1	-54.6	177.3	177.2	-113	0	0	0	111.1	W58 L254 I338 Y368 L372 W381 S382 F383 I387 M388 I389	W58-F385 HydrophobicContact CZ2-CZ 4.28Å; W58-F385 AromaticContact NE1-CE2 3.59Å; W58-F385 AromaticContact NE1-CZ 3.42Å; L254-F385 HydrophobicContact CD1-CB 4.13Å; L254-F385 HydrophobicContact CD1-CD2 4.43Å; I338-F385 HydrophobicContact CD1-CE2 4.33Å; Y368-F385 AromaticContact CD1-CD1 3.67Å; Y368-F385 HydrophobicContact CD1-CD1 3.67Å; Y368-F385 AromaticContact CD1-CD2 3.48Å; Y368-F385 HydrophobicContact CD1-CD2 3.48Å; Y368-F385 VanDerWaalsContact CD1-CD2 3.48Å; Y368-F385 AromaticContact CD1-CE1 3.43Å; Y368-F385 HydrophobicContact CD1-CE1 3.43Å; Y368-F385 VanDerWaalsContact CD1-CE1 3.43Å; Y368-F385 AromaticContact CD1-CE2 3.22Å; Y368-F385 HydrophobicContact CD1-CE2 3.22Å; Y368-F385 AromaticContact CD1-CG 3.67Å; Y368-F385 HydrophobicContact CD1-CG 3.67Å; Y368-F385 AromaticContact CD1-CZ 3.17Å; Y368-F385 HydrophobicContact CD1-CZ 3.17Å; Y368-F385 HydrophobicContact CE1-CB 4.33Å; Y368-F385 HydrophobicContact CE1-CD1 4.17Å; Y368-F385 AromaticContact CE1-CD2 3.22Å; Y368-F385 HydrophobicContact CE1-CD2 3.22Å; Y368-F385 HydrophobicContact CE1-CE1 4.23Å; Y368-F385 AromaticContact CE1-CE2 3.3Å; Y368-F385 HydrophobicContact CE1-CE2 3.3Å; Y368-F385 AromaticContact CE1-CG 3.67Å; Y368-F385 HydrophobicContact CE1-CG 3.67Å; Y368-F385 AromaticContact CE1-CZ 3.81Å; Y368-F385 HydrophobicContact CE1-CZ 3.81Å; Y368-F385 HydrophobicContact CG-CE1 4.09Å; Y368-F385 AromaticContact CG-CE2 3.93Å; Y368-F385 HydrophobicContact CG-CE2 3.93Å; Y368-F385 AromaticContact CG-CZ 3.64Å; Y368-F385 HydrophobicContact CG-CZ 3.64Å; L372-F385 HydrophobicContact CD1-CB 3.71Å; L372-F385 HydrophobicContact CD1-CD1 4.11Å; L372-F385 HydrophobicContact CD1-CG 4Å; W381-F385 WeakPolarHBondContact O-CB 3.45Å; W381-F385 PolarHBondContact O-N 3.33Å; S382-F385 PolarHBondContact O-N 2.86Å; F383-F385 VanDerWaalsContact C-N 3.31Å; F383-F385 PolarHBondContact O-N 3.46Å; F385-I387 PolarHBondContact O-N 3.41Å; F385-M388 HydrophobicContact CD2-CE 3.59Å; F385-M388 HydrophobicContact CE2-CE 3.96Å; F385-M388 WeakPolarHBondContact O-CB 3.39Å; F385-M388 PolarHBondContact O-N 3.3Å; F385-I389 HydrophobicContact CD1-CD1 3.38Å; F385-I389 HydrophobicContact CD2-CD1 3.87Å; F385-I389 HydrophobicContact CE1-CD1 3.22Å; F385-I389 HydrophobicContact CE2-CD1 3.73Å; F385-I389 HydrophobicContact CE2-CG1 4.44Å; F385-I389 HydrophobicContact CG-CD1 3.73Å; F385-I389 HydrophobicContact CZ-CD1 3.43Å; F385-I389 VanDerWaalsContact CZ-CD1 3.43Å; F385-I389 HydrophobicContact CZ-CG1 4.47Å; F385-I389 VanDerWaalsContact O-CD1 3.22Å; F385-I389 WeakPolarHBondContact O-CD1 3.4Å; F385-I389 VanDerWaalsContact O-CG1 3.27Å; F385-I389 WeakPolarHBondContact O-CG1 3.37Å; F385-I389 PolarHBondContact O-N 3.49Å
386	F	97.2	Very high	95.5	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-70.3	-31.3	-175.1	-72.5	-68.5	0	0	0	113.6	A137 F140 I141 W151 F365 P369 S382 F383 I389 I390	A137-F386 HydrophobicContact CB-CD1 4.38Å; F140-F386 HydrophobicContact CB-CD1 3.67Å; F140-F386 HydrophobicContact CB-CD2 3.65Å; F140-F386 HydrophobicContact CB-CE1 3.53Å; F140-F386 HydrophobicContact CB-CE2 3.52Å; F140-F386 HydrophobicContact CB-CG 3.72Å; F140-F386 HydrophobicContact CB-CZ 3.42Å; F140-F386 VanDerWaalsContact CB-CZ 3.42Å; F140-F386 HydrophobicContact CD1-CD2 4.4Å; F140-F386 AromaticContact CD1-CE1 3.92Å; F140-F386 HydrophobicContact CD1-CE1 3.92Å; F140-F386 AromaticContact CD1-CE2 3.43Å; F140-F386 HydrophobicContact CD1-CE2 3.43Å; F140-F386 VanDerWaalsContact CD1-CE2 3.43Å; F140-F386 AromaticContact CD1-CZ 3.11Å; F140-F386 HydrophobicContact CD1-CZ 3.11Å; F140-F386 HydrophobicContact CD2-CE1 4.39Å; F140-F386 HydrophobicContact CD2-CZ 4.34Å; F140-F386 HydrophobicContact CE1-CE2 4.42Å; F140-F386 AromaticContact CE1-CZ 3.88Å; F140-F386 HydrophobicContact CE1-CZ 3.88Å; F140-F386 HydrophobicContact CG-CD1 4.35Å; F140-F386 HydrophobicContact CG-CD2 4.44Å; F140-F386 AromaticContact CG-CE1 3.7Å; F140-F386 HydrophobicContact CG-CE1 3.7Å; F140-F386 AromaticContact CG-CE2 3.81Å; F140-F386 HydrophobicContact CG-CE2 3.81Å; F140-F386 AromaticContact CG-CZ 3.37Å; F140-F386 HydrophobicContact CG-CZ 3.37Å; I141-F386 HydrophobicContact CD1-CB 4.22Å; I141-F386 HydrophobicContact CG1-CB 3.4Å; I141-F386 VanDerWaalsContact CG1-CB 3.4Å; W151-F386 HydrophobicContact CH2-CE2 4.32Å; W151-F386 HydrophobicContact CZ2-CE2 4.23Å; F365-F386 AromaticContact CD1-CE1 3.78Å; F365-F386 HydrophobicContact CD1-CE1 3.78Å; F365-F386 HydrophobicContact CD1-CZ 4.41Å; F365-F386 HydrophobicContact CE1-CD1 4.35Å; F365-F386 AromaticContact CE1-CE1 3.74Å; F365-F386 HydrophobicContact CE1-CE1 3.74Å; P369-F386 HydrophobicContact CB-CZ 4.44Å; P369-F386 HydrophobicContact CG-CE2 4.17Å; P369-F386 HydrophobicContact CG-CZ 3.6Å; S382-F386 VanDerWaalsContact O-CD2 3.26Å; S382-F386 WeakPolarHBondContact O-CD2 3.34Å; S382-F386 PolarHBondContact O-N 2.88Å; S382-F386 WeakPolarHBondContact OG-CD2 2.92Å; F383-F386 PolarHBondContact O-N 3.06Å; F386-I389 HydrophobicContact CD1-CD1 3.76Å; F386-I389 HydrophobicContact CE1-CD1 4.22Å; F386-I389 HydrophobicContact CG-CD1 4.41Å; F386-I389 WeakPolarHBondContact O-CB 3.5Å; F386-I389 PolarHBondContact O-N 3.32Å; F386-I390 WeakPolarHBondContact O-CG1 3.29Å; F386-I390 PolarHBondContact O-N 3.46Å
387	I	96.5	Very high	95.9	Very high	37 Å²	37	19.7 Å²	19.7	19%	0.19	11%	0.112	C	C	.	.	H	α-helix	trans	-66.8	-39.7	171.8	-166.4	62.1	0	0	0	111.5	I141 F250 F383 C384 F385 I389 I390 L391	I141-I387 HydrophobicContact CD1-CB 3.95Å; I141-I387 HydrophobicContact CD1-CD1 3.82Å; I141-I387 HydrophobicContact CD1-CG1 4.5Å; F250-I387 HydrophobicContact CD1-CG2 4.24Å; F250-I387 HydrophobicContact CD2-CG2 3.76Å; F250-I387 HydrophobicContact CE1-CG2 3.92Å; F250-I387 HydrophobicContact CE2-CG1 4.33Å; F250-I387 HydrophobicContact CE2-CG2 3.37Å; F250-I387 HydrophobicContact CG-CG2 4.18Å; F250-I387 HydrophobicContact CZ-CG2 3.47Å; F250-I387 VanDerWaalsContact CZ-CG2 3.47Å; F383-I387 HydrophobicContact CE1-CG2 4.28Å; F383-I387 HydrophobicContact CZ-CB 4.45Å; F383-I387 WeakPolarHBondContact O-CB 3.46Å; F383-I387 WeakPolarHBondContact O-CG2 3.42Å; F383-I387 PolarHBondContact O-N 3.29Å; C384-I387 WeakPolarHBondContact O-CG2 3.28Å; F385-I387 PolarHBondContact O-N 3.41Å; I387-I389 VanDerWaalsContact C-N 3.31Å; I387-I389 PolarHBondContact O-N 3.49Å; I387-I390 PolarHBondContact O-N 2.97Å; I387-L391 HydrophobicContact CG1-CD1 4.28Å; I387-L391 HydrophobicContact CG1-CG 4.39Å; I387-L391 WeakPolarHBondContact O-CB 2.89Å; I387-L391 WeakPolarHBondContact O-CG 3.41Å; I387-L391 PolarHBondContact O-N 3.49Å
388	M	95.8	Very high	96.1	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.005	9%	0.092	C	C	.	.	H	α-helix	trans	-58.3	-44.9	173.9	172.4	-162.3	72.3	0	0	111.2	V57 P247 F250 M251 C384 F385 L391 L392	V57-M388 HydrophobicContact CG1-CE 3.77Å; P247-M388 HydrophobicContact CB-CG 3.9Å; F250-M388 HydrophobicContact CB-CB 3.89Å; F250-M388 HydrophobicContact CB-CG 4.36Å; F250-M388 HydrophobicContact CD2-CB 4.29Å; F250-M388 HydrophobicContact CG-CB 4.42Å; M251-M388 HydrophobicContact CB-SD 4.33Å; M251-M388 HydrophobicContact CG-CG 4.31Å; M251-M388 HydrophobicContact CG-SD 3.2Å; M251-M388 WeakPolarHBondContact CG-SD 3.46Å; M251-M388 HydrophobicContact SD-SD 4.29Å; C384-M388 VanDerWaalsContact O-CB 3.29Å; C384-M388 WeakPolarHBondContact O-CB 3.38Å; C384-M388 PolarHBondContact O-N 3.31Å; F385-M388 HydrophobicContact CD2-CE 3.59Å; F385-M388 HydrophobicContact CE2-CE 3.96Å; F385-M388 WeakPolarHBondContact O-CB 3.39Å; F385-M388 PolarHBondContact O-N 3.3Å; M388-L391 PolarHBondContact O-N 3.42Å; M388-L392 HydrophobicContact CG-CD1 3.98Å; M388-L392 WeakPolarHBondContact O-CB 3.3Å; M388-L392 VanDerWaalsContact O-CG 3.28Å; M388-L392 WeakPolarHBondContact O-CG 3.35Å; M388-L392 PolarHBondContact O-N 3.32Å
389	I	95.3	Very high	96.2	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-61.6	-44.4	177.5	-69.2	155.8	0	0	0	111.7	L54 W58 A137 F385 F386 I387 G393	L54-I389 HydrophobicContact CD2-CB 4.26Å; L54-I389 HydrophobicContact CD2-CG1 4.49Å; L54-I389 HydrophobicContact CD2-CG2 3.7Å; W58-I389 HydrophobicContact CH2-CB 4.28Å; W58-I389 HydrophobicContact CH2-CD1 4.1Å; W58-I389 HydrophobicContact CH2-CG1 4.02Å; W58-I389 HydrophobicContact CH2-CG2 3.31Å; W58-I389 HydrophobicContact CZ2-CB 3.95Å; W58-I389 HydrophobicContact CZ2-CD1 3.15Å; W58-I389 HydrophobicContact CZ2-CG1 3.21Å; W58-I389 HydrophobicContact CZ2-CG2 3.47Å; W58-I389 VanDerWaalsContact CZ2-CG2 3.47Å; W58-I389 HydrophobicContact CZ3-CG2 4.37Å; A137-I389 HydrophobicContact CB-CB 4.5Å; A137-I389 HydrophobicContact CB-CG2 3.64Å; F385-I389 HydrophobicContact CD1-CD1 3.38Å; F385-I389 HydrophobicContact CD2-CD1 3.87Å; F385-I389 HydrophobicContact CE1-CD1 3.22Å; F385-I389 HydrophobicContact CE2-CD1 3.73Å; F385-I389 HydrophobicContact CE2-CG1 4.44Å; F385-I389 HydrophobicContact CG-CD1 3.73Å; F385-I389 HydrophobicContact CZ-CD1 3.43Å; F385-I389 VanDerWaalsContact CZ-CD1 3.43Å; F385-I389 HydrophobicContact CZ-CG1 4.47Å; F385-I389 VanDerWaalsContact O-CD1 3.22Å; F385-I389 WeakPolarHBondContact O-CD1 3.4Å; F385-I389 VanDerWaalsContact O-CG1 3.27Å; F385-I389 WeakPolarHBondContact O-CG1 3.37Å; F385-I389 PolarHBondContact O-N 3.49Å; F386-I389 HydrophobicContact CD1-CD1 3.76Å; F386-I389 HydrophobicContact CE1-CD1 4.22Å; F386-I389 HydrophobicContact CG-CD1 4.41Å; F386-I389 WeakPolarHBondContact O-CB 3.5Å; F386-I389 PolarHBondContact O-N 3.32Å; I387-I389 VanDerWaalsContact C-N 3.31Å; I387-I389 PolarHBondContact O-N 3.49Å; I389-G393 PolarHBondContact O-N 3.32Å
390	I	97.5	Very high	96.2	Very high	4 Å²	4	16 Å²	16	2%	0.021	8%	0.079	C	C	.	.	H	α-helix	trans	-63.9	-44.9	178.2	-71.8	-175.9	0	0	0	110.9	L134 A137 F138 I141 F386 I387 G393 I394	L134-I390 HydrophobicContact CD2-CB 4.41Å; L134-I390 HydrophobicContact CD2-CG1 4.41Å; L134-I390 HydrophobicContact CD2-CG2 4.45Å; L134-I390 WeakPolarHBondContact CD2-O 3.17Å; A137-I390 HydrophobicContact CB-CD1 4.09Å; A137-I390 HydrophobicContact CB-CG1 3.52Å; F138-I390 HydrophobicContact CB-CD1 4.19Å; F138-I390 HydrophobicContact CD1-CD1 3.41Å; F138-I390 VanDerWaalsContact CD1-CD1 3.41Å; F138-I390 HydrophobicContact CD2-CD1 4Å; F138-I390 HydrophobicContact CE1-CD1 3.58Å; F138-I390 HydrophobicContact CE1-CG2 4.06Å; F138-I390 HydrophobicContact CE2-CD1 4.14Å; F138-I390 HydrophobicContact CE2-CG2 4.09Å; F138-I390 HydrophobicContact CG-CD1 3.61Å; F138-I390 HydrophobicContact CZ-CD1 3.94Å; F138-I390 HydrophobicContact CZ-CG2 3.62Å; I141-I390 HydrophobicContact CD1-CD1 3.2Å; I141-I390 HydrophobicContact CD1-CG1 4.06Å; I141-I390 HydrophobicContact CG1-CD1 3.84Å; F386-I390 WeakPolarHBondContact O-CG1 3.29Å; F386-I390 PolarHBondContact O-N 3.46Å; I387-I390 PolarHBondContact O-N 2.97Å; I390-G393 PolarHBondContact O-N 3.31Å; I390-I394 HydrophobicContact CG2-CD1 3.49Å; I390-I394 VanDerWaalsContact CG2-CD1 3.49Å; I390-I394 HydrophobicContact CG2-CG1 4.11Å; I390-I394 VanDerWaalsContact O-CB 3.25Å; I390-I394 WeakPolarHBondContact O-CB 3.25Å; I390-I394 VanDerWaalsContact O-CG1 3.26Å; I390-I394 WeakPolarHBondContact O-CG1 3.49Å; I390-I394 PolarHBondContact O-N 3.43Å
391	L	97.5	Very high	96.3	Very high	28 Å²	28	10.9 Å²	10.9	15%	0.147	5%	0.054	C	C	.	.	H	α-helix	trans	-62.7	-47.8	179.8	-68.1	177.3	0	0	0	111.5	T243 T246 P247 F250 I387 M388 G393 I394 D395	T243-L391 HydrophobicContact CG2-CD2 3.82Å; T246-L391 HydrophobicContact CG2-CD1 3.62Å; P247-L391 HydrophobicContact CG-CB 3.9Å; F250-L391 HydrophobicContact CE2-CD1 4.23Å; I387-L391 HydrophobicContact CG1-CD1 4.28Å; I387-L391 HydrophobicContact CG1-CG 4.39Å; I387-L391 WeakPolarHBondContact O-CB 2.89Å; I387-L391 WeakPolarHBondContact O-CG 3.41Å; I387-L391 PolarHBondContact O-N 3.49Å; M388-L391 PolarHBondContact O-N 3.42Å; L391-G393 VanDerWaalsContact C-N 3.35Å; L391-G393 PolarHBondContact O-N 2.8Å; L391-I394 PolarHBondContact O-N 2.84Å; L391-D395 PolarHBondContact O-N 3.41Å; L391-D395 VanDerWaalsContact O-N 3.1Å
392	L	95.8	Very high	96.4	Very high	5 Å²	5	9 Å²	9	3%	0.026	5%	0.047	C	C	.	.	H	α-helix	trans	-60.1	-44.5	175.2	-71.4	169.7	0	0	0	111.9	I52 L54 V57 P247 M388 S396	I52-L392 HydrophobicContact CG2-CD2 4.33Å; I52-L392 WeakPolarHBondContact O-CD2 3.48Å; L54-L392 HydrophobicContact CD2-CB 4.41Å; V57-L392 HydrophobicContact CB-CD1 4.35Å; V57-L392 HydrophobicContact CG2-CD1 3.43Å; V57-L392 VanDerWaalsContact CG2-CD1 3.43Å; P247-L392 HydrophobicContact CB-CD1 4.25Å; P247-L392 HydrophobicContact CB-CD2 3.76Å; P247-L392 HydrophobicContact CB-CG 3.8Å; P247-L392 HydrophobicContact CG-CD2 3.78Å; P247-L392 HydrophobicContact CG-CG 3.77Å; M388-L392 HydrophobicContact CG-CD1 3.98Å; M388-L392 WeakPolarHBondContact O-CB 3.3Å; M388-L392 VanDerWaalsContact O-CG 3.28Å; M388-L392 WeakPolarHBondContact O-CG 3.35Å; M388-L392 PolarHBondContact O-N 3.32Å; L392-S396 PolarHBondContact O-N 2.94Å; L392-S396 PolarHBondContact O-OG 3.28Å
393	G	96.2	Very high	96.4	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-69.6	-39.3	-178.9	0	0	0	0	0	112.6	I389 I390 L391 D395 S396 M397	I389-G393 PolarHBondContact O-N 3.32Å; I390-G393 PolarHBondContact O-N 3.31Å; L391-G393 VanDerWaalsContact C-N 3.35Å; L391-G393 PolarHBondContact O-N 2.8Å; G393-D395 PolarHBondContact O-N 3.38Å; G393-S396 PolarHBondContact O-N 3.47Å; G393-M397 WeakPolarHBondContact O-CG 3.39Å; G393-M397 PolarHBondContact O-N 3.2Å; G393-M397 VanDerWaalsContact O-N 3.15Å
394	I	97	Very high	96.5	Very high	8 Å²	8	7.4 Å²	7.4	4%	0.041	4%	0.04	C	C	.	.	H	α-helix	trans	-65	-39.2	178.5	-77.8	178.6	0	0	0	111	L134 F138 I224 I390 L391 M397 F398	L134-I394 HydrophobicContact CD1-CG1 3.77Å; L134-I394 HydrophobicContact CD2-CG1 4.08Å; F138-I394 HydrophobicContact CE2-CD1 4.47Å; F138-I394 HydrophobicContact CZ-CD1 4.14Å; I224-I394 HydrophobicContact CD1-CD1 4.41Å; I224-I394 HydrophobicContact CG2-CD1 3.97Å; I390-I394 HydrophobicContact CG2-CD1 3.49Å; I390-I394 VanDerWaalsContact CG2-CD1 3.49Å; I390-I394 HydrophobicContact CG2-CG1 4.11Å; I390-I394 VanDerWaalsContact O-CB 3.25Å; I390-I394 WeakPolarHBondContact O-CB 3.25Å; I390-I394 VanDerWaalsContact O-CG1 3.26Å; I390-I394 WeakPolarHBondContact O-CG1 3.49Å; I390-I394 PolarHBondContact O-N 3.43Å; L391-I394 PolarHBondContact O-N 2.84Å; I394-M397 CarbonylContact O-C 3.57Å; I394-M397 WeakPolarHBondContact O-CA 3.37Å; I394-M397 WeakPolarHBondContact O-CB 3.38Å; I394-M397 PolarHBondContact O-N 3.47Å; I394-M397 VanDerWaalsContact O-N 3.12Å; I394-F398 HydrophobicContact CG2-CD1 4.06Å; I394-F398 HydrophobicContact CG2-CD2 4.37Å; I394-F398 HydrophobicContact CG2-CE1 3.32Å; I394-F398 HydrophobicContact CG2-CE2 3.7Å; I394-F398 HydrophobicContact CG2-CZ 3.13Å; I394-F398 WeakPolarHBondContact O-CD1 3.25Å; I394-F398 WeakPolarHBondContact O-CG 3.38Å; I394-F398 PolarHBondContact O-N 3.01Å
395	D	96	Very high	96.5	Very high	1 Å²	1	6.7 Å²	6.7	1%	0.005	4%	0.035	C	C	.	.	H	α-helix	trans	-67.3	-37.8	177.9	-77.5	-30.4	0	0	0	113	G49 M240 T243 A244 L391 G393 M397 F398 G399	G49-D395 VanDerWaalsContact C-CB 3.47Å; G49-D395 CarbonylContact O-C 3.52Å; G49-D395 VanDerWaalsContact O-C 3.29Å; G49-D395 WeakPolarHBondContact O-CB 3.48Å; M240-D395 HydrophobicContact CE-CB 4.32Å; T243-D395 VanDerWaalsContact CB-OD1 3.29Å; T243-D395 WeakPolarHBondContact CB-OD1 3.41Å; T243-D395 VanDerWaalsContact CB-OD2 3.28Å; T243-D395 WeakPolarHBondContact CB-OD2 3.21Å; T243-D395 PolarHBondContact OG1-OD1 2.9Å; T243-D395 PolarHBondContact OG1-OD2 2.93Å; T243-D395 VanDerWaalsContact OG1-OD2 3.1Å; A244-D395 WeakPolarHBondContact CA-OD2 3.05Å; A244-D395 PolarHBondContact N-OD2 3.29Å; L391-D395 PolarHBondContact O-N 3.41Å; L391-D395 VanDerWaalsContact O-N 3.1Å; G393-D395 PolarHBondContact O-N 3.38Å; D395-M397 PolarHBondContact O-N 3.05Å; D395-F398 WeakPolarHBondContact O-CB 3.22Å; D395-F398 PolarHBondContact O-N 2.89Å; D395-F398 VanDerWaalsContact O-N 3.12Å; D395-F398 VanDerWaalsContact OD1-CD2 3.26Å; D395-F398 WeakPolarHBondContact OD1-CD2 3.45Å; D395-F398 WeakPolarHBondContact OD1-CE2 3.4Å; D395-G399 PolarHBondContact O-N 3.11Å
396	S	96.6	Very high	96.5	Very high	13 Å²	13	6.8 Å²	6.8	9%	0.091	4%	0.036	C	C	.	.	H	α-helix	trans	-57.6	-40.1	169.7	-57.6	0	0	0	0	111.4	G49 F50 Y130 L392 G393 F398 G400	G49-S396 PolarHBondContact O-N 2.86Å; F50-S396 VanDerWaalsContact CD2-O 3.22Å; F50-S396 WeakPolarHBondContact CD2-O 3.48Å; F50-S396 WeakPolarHBondContact CE2-O 3.19Å; F50-S396 WeakPolarHBondContact O-CA 3.42Å; F50-S396 WeakPolarHBondContact O-CB 3.42Å; F50-S396 PolarHBondContact O-OG 3.32Å; F50-S396 VanDerWaalsContact O-OG 3.06Å; Y130-S396 PolarHBondContact OH-OG 3.08Å; L392-S396 PolarHBondContact O-N 2.94Å; L392-S396 PolarHBondContact O-OG 3.28Å; G393-S396 PolarHBondContact O-N 3.47Å; S396-F398 PolarHBondContact O-N 2.83Å; S396-G400 PolarHBondContact O-N 3.42Å
397	M	97.3	Very high	96.4	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-68.9	-32.3	176.6	-65.1	-56.8	-54.4	0	0	113	N127 Y130 T131 L134 W222 I225 G393 I394 D395 V401	N127-M397 HydrophobicContact CB-CE 3.66Å; N127-M397 HydrophobicContact CB-SD 4.39Å; N127-M397 WeakPolarHBondContact O-CE 3.39Å; Y130-M397 HydrophobicContact CD1-CG 4.21Å; Y130-M397 HydrophobicContact CD1-SD 3.77Å; Y130-M397 HydrophobicContact CG-SD 4.46Å; T131-M397 WeakPolarHBondContact OG1-CE 3.32Å; T131-M397 PolarHBondContact OG1-SD 3.24Å; L134-M397 HydrophobicContact CD1-CG 3.86Å; W222-M397 HydrophobicContact CH2-CE 3.55Å; W222-M397 HydrophobicContact CZ2-CE 4.15Å; W222-M397 HydrophobicContact CZ3-CE 4.03Å; I225-M397 HydrophobicContact CD1-CB 3.56Å; I225-M397 HydrophobicContact CD1-CE 4.2Å; I225-M397 HydrophobicContact CD1-CG 3.73Å; I225-M397 HydrophobicContact CG1-CB 3.86Å; I225-M397 HydrophobicContact CG2-CB 4.37Å; G393-M397 WeakPolarHBondContact O-CG 3.39Å; G393-M397 PolarHBondContact O-N 3.2Å; G393-M397 VanDerWaalsContact O-N 3.15Å; I394-M397 CarbonylContact O-C 3.57Å; I394-M397 WeakPolarHBondContact O-CA 3.37Å; I394-M397 WeakPolarHBondContact O-CB 3.38Å; I394-M397 PolarHBondContact O-N 3.47Å; I394-M397 VanDerWaalsContact O-N 3.12Å; D395-M397 PolarHBondContact O-N 3.05Å; M397-V401 HydrophobicContact CE-CG2 3.93Å; M397-V401 WeakPolarHBondContact O-CB 3.24Å; M397-V401 WeakPolarHBondContact O-CG2 3.46Å; M397-V401 PolarHBondContact O-N 2.82Å
398	F	95.5	Very high	96.4	Very high	3 Å²	3	7.2 Å²	7.2	1%	0.013	4%	0.038	C	C	.	.	H	α-helix	trans	-60.8	-50.4	175	-66	-16.7	0	0	0	111.9	A228 I229 V239 M240 I394 D395 S396 E402	A228-F398 HydrophobicContact CB-CD1 3.87Å; A228-F398 HydrophobicContact CB-CE1 3.22Å; A228-F398 HydrophobicContact CB-CE2 4.26Å; A228-F398 HydrophobicContact CB-CZ 3.43Å; A228-F398 VanDerWaalsContact CB-CZ 3.43Å; I229-F398 HydrophobicContact CD1-CD1 4.24Å; I229-F398 HydrophobicContact CG1-CD1 4.19Å; V239-F398 HydrophobicContact CB-CE2 4.16Å; V239-F398 HydrophobicContact CG1-CE2 3.61Å; V239-F398 HydrophobicContact CG1-CZ 3.9Å; M240-F398 HydrophobicContact CE-CB 4.01Å; M240-F398 HydrophobicContact CE-CD2 4.5Å; M240-F398 HydrophobicContact CG-CD2 3.75Å; M240-F398 HydrophobicContact CG-CE2 4.45Å; M240-F398 HydrophobicContact SD-CB 4.35Å; M240-F398 HydrophobicContact SD-CD2 4.46Å; I394-F398 HydrophobicContact CG2-CD1 4.06Å; I394-F398 HydrophobicContact CG2-CD2 4.37Å; I394-F398 HydrophobicContact CG2-CE1 3.32Å; I394-F398 HydrophobicContact CG2-CE2 3.7Å; I394-F398 HydrophobicContact CG2-CZ 3.13Å; I394-F398 WeakPolarHBondContact O-CD1 3.25Å; I394-F398 WeakPolarHBondContact O-CG 3.38Å; I394-F398 PolarHBondContact O-N 3.01Å; D395-F398 WeakPolarHBondContact O-CB 3.22Å; D395-F398 PolarHBondContact O-N 2.89Å; D395-F398 VanDerWaalsContact O-N 3.12Å; D395-F398 VanDerWaalsContact OD1-CD2 3.26Å; D395-F398 WeakPolarHBondContact OD1-CD2 3.45Å; D395-F398 WeakPolarHBondContact OD1-CE2 3.4Å; S396-F398 PolarHBondContact O-N 2.83Å; F398-E402 WeakPolarHBondContact O-CB 3.37Å; F398-E402 PolarHBondContact O-N 3.1Å; F398-E402 VanDerWaalsContact O-N 3.12Å
399	G	95.1	Very high	96.3	Very high	2 Å²	2	7.4 Å²	7.4	2%	0.021	4%	0.039	C	C	.	.	H	α-helix	trans	-69.2	-39.1	177.7	0	0	0	0	0	112.8	F50 D395 G403	F50-G399 VanDerWaalsContact CD2-CA 3.42Å; D395-G399 PolarHBondContact O-N 3.11Å; G399-G403 PolarHBondContact O-N 3.09Å
400	G	97.3	Very high	96.1	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-63.4	-52.9	-179.6	0	0	0	0	0	112.5	N123 N127 S396 G403 F404	N123-G400 PolarHBondContact ND2-O 3.03Å; N123-G400 WeakPolarHBondContact OD1-CA 3.45Å; N123-G400 PolarHBondContact OD1-O 2.9Å; N127-G400 PolarHBondContact ND2-O 2.8Å; S396-G400 PolarHBondContact O-N 3.42Å; G400-G403 PolarHBondContact O-N 2.99Å; G400-F404 PolarHBondContact O-N 3.5Å
401	V	98	Very high	95.8	Very high	2 Å²	2	14 Å²	14	1%	0.012	7%	0.068	C	C	.	.	H	α-helix	trans	-70.1	-39.5	-179	175.3	0	0	0	0	111.2	W222 I225 I229 M397 G403 F404 V405 T429	W222-V401 HydrophobicContact CH2-CG2 4.31Å; W222-V401 HydrophobicContact CZ3-CG2 3.93Å; I225-V401 HydrophobicContact CG2-CG2 4.12Å; I229-V401 HydrophobicContact CD1-CB 3.55Å; I229-V401 HydrophobicContact CD1-CG1 3.74Å; I229-V401 HydrophobicContact CD1-CG2 4.43Å; I229-V401 HydrophobicContact CG2-CG1 4.41Å; M397-V401 HydrophobicContact CE-CG2 3.93Å; M397-V401 WeakPolarHBondContact O-CB 3.24Å; M397-V401 WeakPolarHBondContact O-CG2 3.46Å; M397-V401 PolarHBondContact O-N 2.82Å; V401-G403 VanDerWaalsContact C-N 3.29Å; V401-G403 PolarHBondContact O-N 3.27Å; V401-F404 PolarHBondContact O-N 3.3Å; V401-V405 HydrophobicContact CG1-CG2 4.25Å; V401-V405 WeakPolarHBondContact O-CB 3.21Å; V401-V405 VanDerWaalsContact O-CG2 3.24Å; V401-V405 WeakPolarHBondContact O-CG2 3.37Å; V401-V405 PolarHBondContact O-N 2.98Å; V401-T429 HydrophobicContact CG1-CG2 4.5Å
402	E	95.7	Very high	95.4	Very high	3 Å²	3	16.3 Å²	16.3	1%	0.014	8%	0.08	C	C	.	.	H	α-helix	trans	-62.1	-39.3	173.5	-178.5	62.5	-153.2	0	0	111.3	I229 I233 Y309 F398 V405 A406 R422	I229-E402 WeakPolarHBondContact CG2-OE2 3.16Å; I233-E402 HydrophobicContact CG2-CG 3.97Å; Y309-E402 HydrophobicContact CE2-CG 4.15Å; Y309-E402 PolarHBondContact OH-OE1 3.34Å; F398-E402 WeakPolarHBondContact O-CB 3.37Å; F398-E402 PolarHBondContact O-N 3.1Å; F398-E402 VanDerWaalsContact O-N 3.12Å; E402-V405 PolarHBondContact O-N 3.35Å; E402-A406 WeakPolarHBondContact O-CB 3.44Å; E402-A406 PolarHBondContact O-N 3.38Å; E402-R422 IonicContact OE1-CZ 3.91Å; E402-R422 IonicContact OE1-NH2 3.62Å; E402-R422 PolarHBondContact OE1-NH2 3.29Å; E402-R422 IonicContact OE2-NH2 2.72Å; E402-R422 PolarHBondContact OE2-NH2 3.33Å
403	G	96.7	Very high	94.7	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.01	10%	0.102	C	C	.	.	H	α-helix	trans	-60.9	-45.6	175.7	0	0	0	0	0	112.7	G399 G400 V401 A407	G399-G403 PolarHBondContact O-N 3.09Å; G400-G403 PolarHBondContact O-N 2.99Å; V401-G403 VanDerWaalsContact C-N 3.29Å; V401-G403 PolarHBondContact O-N 3.27Å; G403-A407 WeakPolarHBondContact O-CB 3.45Å; G403-A407 PolarHBondContact O-N 3.12Å
404	F	97.7	Very high	94.2	Very high	33 Å²	33	25.3 Å²	25.3	15%	0.145	13%	0.128	C	C	.	.	H	α-helix	trans	-62.2	-48.3	174.1	177.4	-92.5	0	0	0	111.5	T120 N123 F124 G400 V401 A406 A407 I408 F425 T429	T120-F404 HydrophobicContact CG2-CD2 3.54Å; T120-F404 HydrophobicContact CG2-CE2 3.93Å; T120-F404 HydrophobicContact CG2-CG 4.46Å; N123-F404 PolarHBondContact ND2-N 3.47Å; F124-F404 HydrophobicContact CB-CD2 3.87Å; F124-F404 HydrophobicContact CB-CE2 3.87Å; F124-F404 HydrophobicContact CD2-CD2 4.2Å; F124-F404 AromaticContact CD2-CE2 3.86Å; F124-F404 HydrophobicContact CD2-CE2 3.86Å; F124-F404 HydrophobicContact CD2-CZ 4.04Å; F124-F404 HydrophobicContact CG-CD2 4.43Å; F124-F404 HydrophobicContact CG-CE2 4.08Å; G400-F404 PolarHBondContact O-N 3.5Å; V401-F404 PolarHBondContact O-N 3.3Å; F404-A406 VanDerWaalsContact C-N 3.34Å; F404-A406 PolarHBondContact O-N 2.86Å; F404-A407 PolarHBondContact O-N 3.43Å; F404-I408 HydrophobicContact CE1-CG1 4.26Å; F404-I408 HydrophobicContact CE2-CG1 4.39Å; F404-I408 HydrophobicContact CZ-CG1 4.12Å; F404-I408 PolarHBondContact O-N 2.93Å; F404-F425 HydrophobicContact CE1-CZ 4.31Å; F404-T429 HydrophobicContact CD1-CG2 3.64Å; F404-T429 HydrophobicContact CE1-CG2 3.7Å
405	V	96	Very high	93.6	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-61.3	-44.6	-179.3	168.6	0	0	0	0	110.7	V401 E402 A407 I408 S409 F425 V426	V401-V405 HydrophobicContact CG1-CG2 4.25Å; V401-V405 WeakPolarHBondContact O-CB 3.21Å; V401-V405 VanDerWaalsContact O-CG2 3.24Å; V401-V405 WeakPolarHBondContact O-CG2 3.37Å; V401-V405 PolarHBondContact O-N 2.98Å; E402-V405 PolarHBondContact O-N 3.35Å; V405-A407 VanDerWaalsContact C-N 3.34Å; V405-A407 PolarHBondContact O-N 3.21Å; V405-I408 PolarHBondContact O-N 3.47Å; V405-S409 WeakPolarHBondContact O-CB 3.39Å; V405-S409 PolarHBondContact O-N 3.14Å; V405-S409 PolarHBondContact O-OG 3.47Å; V405-F425 HydrophobicContact CB-CE1 4.31Å; V405-F425 HydrophobicContact CG1-CD1 4.06Å; V405-F425 HydrophobicContact CG1-CE1 4.14Å; V405-F425 HydrophobicContact CG2-CD1 4.32Å; V405-F425 HydrophobicContact CG2-CE1 4.15Å; V405-V426 HydrophobicContact CG1-CG2 4.21Å; V405-V426 HydrophobicContact CG2-CG2 4.01Å
406	A	95.2	Very high	92.9	Very high	2 Å²	2	28 Å²	28	2%	0.017	14%	0.143	C	C	.	.	H	α-helix	trans	-62.1	-40	178	0	0	0	0	0	112.5	A305 Y309 E402 F404	A305-A406 HydrophobicContact CB-CB 3.79Å; Y309-A406 WeakPolarHBondContact OH-CB 3.45Å; E402-A406 WeakPolarHBondContact O-CB 3.44Å; E402-A406 PolarHBondContact O-N 3.38Å; F404-A406 VanDerWaalsContact C-N 3.34Å; F404-A406 PolarHBondContact O-N 2.86Å
407	A	96.6	Very high	92.2	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-63.6	-41.2	179.9	0	0	0	0	0	112.6	A102 I103 T120 G403 F404 V405	A102-A407 HydrophobicContact CB-CB 3.92Å; I103-A407 HydrophobicContact CD1-CB 4.24Å; I103-A407 HydrophobicContact CG1-CB 4.18Å; T120-A407 HydrophobicContact CG2-CB 3.9Å; G403-A407 WeakPolarHBondContact O-CB 3.45Å; G403-A407 PolarHBondContact O-N 3.12Å; F404-A407 PolarHBondContact O-N 3.43Å; V405-A407 VanDerWaalsContact C-N 3.34Å; V405-A407 PolarHBondContact O-N 3.21Å
408	I	95.6	Very high	91.8	Very high	46 Å²	46	35 Å²	35	24%	0.236	18%	0.179	C	C	.	.	H	α-helix	trans	-81.8	-36.1	179.5	-55.7	-59.2	0	0	0	111.8	I103 T120 F404 V405 D410 Y411 L412 F425	I103-I408 HydrophobicContact CD1-CD1 4Å; T120-I408 HydrophobicContact CG2-CD1 4.45Å; F404-I408 HydrophobicContact CE1-CG1 4.26Å; F404-I408 HydrophobicContact CE2-CG1 4.39Å; F404-I408 HydrophobicContact CZ-CG1 4.12Å; F404-I408 PolarHBondContact O-N 2.93Å; V405-I408 PolarHBondContact O-N 3.47Å; I408-D410 PolarHBondContact O-N 2.94Å; I408-Y411 PolarHBondContact O-N 2.88Å; I408-L412 HydrophobicContact CG2-CD1 3.79Å; I408-L412 HydrophobicContact CG2-CG 4.35Å; I408-L412 PolarHBondContact O-N 2.9Å; I408-F425 HydrophobicContact CB-CE1 4.17Å; I408-F425 HydrophobicContact CB-CZ 3.72Å; I408-F425 HydrophobicContact CG1-CZ 4.25Å; I408-F425 HydrophobicContact CG2-CE1 4.32Å; I408-F425 HydrophobicContact CG2-CE2 4.15Å; I408-F425 HydrophobicContact CG2-CZ 3.56Å
409	S	93.2	Very high	91.5	Very high	4 Å²	4	39.4 Å²	39.4	3%	0.028	21%	0.207	C	C	.	.	H	α-helix	trans	-61.5	-27	-177.1	-61.7	0	0	0	0	113.2	V405 Y411 L412 V415 I416	V405-S409 WeakPolarHBondContact O-CB 3.39Å; V405-S409 PolarHBondContact O-N 3.14Å; V405-S409 PolarHBondContact O-OG 3.47Å; S409-Y411 PolarHBondContact O-N 3.14Å; S409-L412 CarbonylContact O-C 3.54Å; S409-L412 PolarHBondContact O-N 3.33Å; S409-V415 WeakPolarHBondContact OG-CG1 3.49Å; S409-I416 VanDerWaalsContact O-CD1 3.31Å; S409-I416 WeakPolarHBondContact O-CD1 3.45Å
410	D	91.9	Very high	91.4	Very high	41 Å²	41	48.8 Å²	48.8	22%	0.219	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-24.6	174.1	-81.6	-38.5	0	0	0	113.6	R34 G101 A104 I408	R34-D410 IonicContact CZ-OD1 2.69Å; R34-D410 IonicContact NH2-OD1 2.68Å; R34-D410 PolarHBondContact NH2-OD1 3.33Å; R34-D410 IonicContact NH2-OD2 3.07Å; R34-D410 PolarHBondContact NH2-OD2 2.97Å; G101-D410 WeakPolarHBondContact CA-OD2 3.3Å; G101-D410 PolarHBondContact N-OD2 2.86Å; A104-D410 HydrophobicContact CB-CB 3.68Å; I408-D410 PolarHBondContact O-N 2.94Å
411	Y	91.1	Very high	91.2	Very high	103 Å²	103	54.4 Å²	54.4	40%	0.404	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-4.4	177.2	-62	-82.1	0	0	0	112.9	I103 A104 I408 S409	I103-Y411 HydrophobicContact CB-CE2 3.85Å; I103-Y411 HydrophobicContact CG2-CE2 3.57Å; I103-Y411 WeakPolarHBondContact CG2-OH 3.31Å; A104-Y411 WeakPolarHBondContact CA-OH 3.39Å; A104-Y411 HydrophobicContact CB-CE2 3.95Å; I408-Y411 PolarHBondContact O-N 2.88Å; S409-Y411 PolarHBondContact O-N 3.14Å
412	L	89.7	Confident	91	Very high	76 Å²	76	55.9 Å²	55.9	40%	0.398	27%	0.27	S	S	.	.			trans	-124.6	80.1	179.9	-61.7	-179.7	0	0	0	110.1	I408 S409 Q414 V415 F425	I408-L412 HydrophobicContact CG2-CD1 3.79Å; I408-L412 HydrophobicContact CG2-CG 4.35Å; I408-L412 PolarHBondContact O-N 2.9Å; S409-L412 CarbonylContact O-C 3.54Å; S409-L412 PolarHBondContact O-N 3.33Å; L412-Q414 PolarHBondContact O-N 3.32Å; L412-V415 HydrophobicContact CB-CB 4.33Å; L412-V415 HydrophobicContact CB-CG2 3.74Å; L412-V415 HydrophobicContact CD1-CG2 4.16Å; L412-V415 WeakPolarHBondContact O-CB 3.43Å; L412-V415 PolarHBondContact O-N 3.36Å; L412-F425 HydrophobicContact CD1-CE2 4.46Å
413	P	81.4	Confident	91	Very high	75 Å²	75	57.7 Å²	57.7	49%	0.487	28%	0.281	S	S	.	.	H	α-helix	trans	-53.7	-32.8	-174.3	-27.5	34.2	0	0	0	114.1	V415 I416 L417	P413-V415 VanDerWaalsContact C-N 3.26Å; P413-V415 PolarHBondContact O-N 3.45Å; P413-I416 PolarHBondContact O-N 2.77Å; P413-I416 VanDerWaalsContact O-N 3.11Å; P413-L417 HydrophobicContact CB-CD1 4.25Å; P413-L417 WeakPolarHBondContact O-CB 3.17Å; P413-L417 VanDerWaalsContact O-CG 3.27Å; P413-L417 WeakPolarHBondContact O-CG 3.38Å; P413-L417 PolarHBondContact O-N 2.65Å
414	Q	83.9	Confident	90.9	Very high	118 Å²	118	60.9 Å²	60.9	55%	0.551	30%	0.303	S	S	*	.	H	α-helix	trans	-60.1	-33.4	177.7	-66.3	-176.6	-7.7	0	0	113.2	L412 I416 L417 N418 Y421	L412-Q414 PolarHBondContact O-N 3.32Å; Q414-I416 VanDerWaalsContact C-N 3.31Å; Q414-L417 PolarHBondContact O-N 2.88Å; Q414-N418 WeakPolarHBondContact O-CB 3.49Å; Q414-N418 PolarHBondContact O-N 3.14Å; Q414-Y421 HydrophobicContact CB-CD1 4.21Å; Q414-Y421 HydrophobicContact CB-CG 4.31Å; Q414-Y421 VanDerWaalsContact OE1-CE1 3.31Å
415	V	84.3	Confident	90.9	Very high	9 Å²	9	61.3 Å²	61.3	6%	0.055	31%	0.305	C	S	.	.	H	α-helix	trans	-69	-32.2	178.1	-179.2	0	0	0	0	110.9	S409 L412 P413 R422 F425	S409-V415 WeakPolarHBondContact OG-CG1 3.49Å; L412-V415 HydrophobicContact CB-CB 4.33Å; L412-V415 HydrophobicContact CB-CG2 3.74Å; L412-V415 HydrophobicContact CD1-CG2 4.16Å; L412-V415 WeakPolarHBondContact O-CB 3.43Å; L412-V415 PolarHBondContact O-N 3.36Å; P413-V415 VanDerWaalsContact C-N 3.26Å; P413-V415 PolarHBondContact O-N 3.45Å; V415-R422 HydrophobicContact CG1-CB 4.38Å; V415-R422 HydrophobicContact CG1-CG 4.42Å; V415-R422 WeakPolarHBondContact O-CB 3.48Å; V415-F425 HydrophobicContact CG1-CB 4.13Å; V415-F425 HydrophobicContact CG1-CD1 3.86Å; V415-F425 HydrophobicContact CG1-CG 4.22Å; V415-F425 HydrophobicContact CG2-CB 4.22Å; V415-F425 HydrophobicContact CG2-CG 4.27Å
416	I	81.6	Confident	90.9	Very high	57 Å²	57	61.3 Å²	61.3	29%	0.292	31%	0.305	S	S	.	.	H	α-helix	trans	-80.1	-42.6	176.1	-57.8	178.1	0	0	0	110.7	T32 S409 P413 Q414	T32-I416 HydrophobicContact CG2-CB 4.05Å; T32-I416 HydrophobicContact CG2-CG2 3.6Å; S409-I416 VanDerWaalsContact O-CD1 3.31Å; S409-I416 WeakPolarHBondContact O-CD1 3.45Å; P413-I416 PolarHBondContact O-N 2.77Å; P413-I416 VanDerWaalsContact O-N 3.11Å; Q414-I416 VanDerWaalsContact C-N 3.31Å
417	L	82.2	Confident	91.1	Very high	99 Å²	99	62.4 Å²	62.4	52%	0.518	31%	0.314	S	S	.	.	H	α-helix	trans	-78.9	-34.9	-171.6	-70.5	171.4	0	0	0	113.6	T32 P413 Q414	T32-L417 HydrophobicContact CG2-CD1 4.36Å; T32-L417 HydrophobicContact CG2-CD2 3.39Å; T32-L417 HydrophobicContact CG2-CG 3.64Å; P413-L417 HydrophobicContact CB-CD1 4.25Å; P413-L417 WeakPolarHBondContact O-CB 3.17Å; P413-L417 VanDerWaalsContact O-CG 3.27Å; P413-L417 WeakPolarHBondContact O-CG 3.38Å; P413-L417 PolarHBondContact O-N 2.65Å; Q414-L417 PolarHBondContact O-N 2.88Å
418	N	88.3	Confident	91.1	Very high	62 Å²	62	65 Å²	65	33%	0.332	34%	0.336	S	S	.	.			trans	-116	113.6	-174.1	-170.6	-27.3	0	0	0	111.3	Q414 W420 Y421 R422	Q414-N418 WeakPolarHBondContact O-CB 3.49Å; Q414-N418 PolarHBondContact O-N 3.14Å; N418-W420 PolarHBondContact O-N 2.89Å; N418-W420 VanDerWaalsContact O-N 3.14Å; N418-W420 PolarHBondContact OD1-N 3.39Å; N418-Y421 HydrophobicContact CB-CD2 3.65Å; N418-Y421 HydrophobicContact CB-CE2 4.45Å; N418-Y421 HydrophobicContact CB-CG 4.36Å; N418-Y421 WeakPolarHBondContact ND2-CD2 3.4Å; N418-Y421 PolarHBondContact O-N 2.98Å; N418-R422 PolarHBondContact O-N 2.84Å; N418-R422 VanDerWaalsContact O-N 3.1Å
419	P	89.8	Confident	91.2	Very high	95 Å²	95	63.3 Å²	63.3	62%	0.617	33%	0.327	S	S	*	.	H	α-helix	trans	-53.8	-34.9	179.1	-27.6	34.9	0	0	0	114.2	R422 V423	P419-R422 PolarHBondContact O-N 3Å; P419-V423 VanDerWaalsContact O-CG2 3.25Å; P419-V423 WeakPolarHBondContact O-CG2 3.43Å; P419-V423 PolarHBondContact O-N 3.26Å
420	W	92.8	Very high	91.4	Very high	199 Å²	199	63.5 Å²	63.5	75%	0.754	33%	0.328	S	S	*	.	H	α-helix	trans	-66.7	-39.6	177.8	-94.5	96	0	0	0	112.2	N418 V423 S424	N418-W420 PolarHBondContact O-N 2.89Å; N418-W420 VanDerWaalsContact O-N 3.14Å; N418-W420 PolarHBondContact OD1-N 3.39Å; W420-V423 PolarHBondContact O-N 3.31Å; W420-S424 WeakPolarHBondContact O-CB 3.08Å; W420-S424 PolarHBondContact O-N 3.33Å; W420-S424 PolarHBondContact O-OG 3.32Å; W420-S424 VanDerWaalsContact O-OG 3.12Å
421	Y	92.7	Very high	91.7	Very high	117 Å²	117	67.1 Å²	67.1	46%	0.459	35%	0.347	S	S	.	.	H	α-helix	trans	-67.9	-37.6	175.6	-78.5	-100.4	0	0	0	111.4	Q414 N418 S424 F425	Q414-Y421 HydrophobicContact CB-CD1 4.21Å; Q414-Y421 HydrophobicContact CB-CG 4.31Å; Q414-Y421 VanDerWaalsContact OE1-CE1 3.31Å; N418-Y421 HydrophobicContact CB-CD2 3.65Å; N418-Y421 HydrophobicContact CB-CE2 4.45Å; N418-Y421 HydrophobicContact CB-CG 4.36Å; N418-Y421 WeakPolarHBondContact ND2-CD2 3.4Å; N418-Y421 PolarHBondContact O-N 2.98Å; Y421-S424 PolarHBondContact O-N 3.39Å; Y421-F425 VanDerWaalsContact O-CB 3.27Å; Y421-F425 WeakPolarHBondContact O-CB 3.33Å; Y421-F425 PolarHBondContact O-N 2.84Å
422	R	93.8	Very high	92.1	Very high	33 Å²	33	67.1 Å²	67.1	13%	0.125	35%	0.353	C	S	.	.	H	α-helix	trans	-57.6	-53.4	171.1	-169.3	179.3	178.2	112.3	3.7	111.4	E402 V415 N418 P419 S424 F425 V426	E402-R422 IonicContact OE1-CZ 3.91Å; E402-R422 IonicContact OE1-NH2 3.62Å; E402-R422 PolarHBondContact OE1-NH2 3.29Å; E402-R422 IonicContact OE2-NH2 2.72Å; E402-R422 PolarHBondContact OE2-NH2 3.33Å; V415-R422 HydrophobicContact CG1-CB 4.38Å; V415-R422 HydrophobicContact CG1-CG 4.42Å; V415-R422 WeakPolarHBondContact O-CB 3.48Å; N418-R422 PolarHBondContact O-N 2.84Å; N418-R422 VanDerWaalsContact O-N 3.1Å; P419-R422 PolarHBondContact O-N 3Å; R422-S424 VanDerWaalsContact C-N 3.31Å; R422-S424 PolarHBondContact O-N 2.88Å; R422-F425 PolarHBondContact O-N 2.99Å; R422-F425 VanDerWaalsContact O-N 3.16Å; R422-V426 HydrophobicContact CG-CG2 4.26Å; R422-V426 VanDerWaalsContact O-CG2 3.3Å; R422-V426 WeakPolarHBondContact O-CG2 3.45Å; R422-V426 PolarHBondContact O-N 3.5Å
423	V	96.1	Very high	92.5	Very high	42 Å²	42	63.6 Å²	63.6	26%	0.255	33%	0.334	S	S	.	.	H	α-helix	trans	-57.3	-46.7	-178.9	172.5	0	0	0	0	110.4	F226 C230 P419 W420 F425 V426 A427	F226-V423 HydrophobicContact CE2-CG1 4.18Å; F226-V423 HydrophobicContact CZ-CG1 3.83Å; C230-V423 HydrophobicContact CB-CG1 4.47Å; C230-V423 HydrophobicContact CB-CG2 4.17Å; C230-V423 WeakPolarHBondContact O-CG2 3.46Å; P419-V423 VanDerWaalsContact O-CG2 3.25Å; P419-V423 WeakPolarHBondContact O-CG2 3.43Å; P419-V423 PolarHBondContact O-N 3.26Å; W420-V423 PolarHBondContact O-N 3.31Å; V423-F425 PolarHBondContact O-N 3.21Å; V423-V426 PolarHBondContact O-N 2.79Å; V423-A427 WeakPolarHBondContact O-CB 3.5Å; V423-A427 PolarHBondContact O-N 2.86Å
424	S	95.8	Very high	93.3	Very high	67 Å²	67	62.4 Å²	62.4	47%	0.469	32%	0.321	S	S	.	.	H	α-helix	trans	-62.8	-40	177.2	-65.3	0	0	0	0	113.1	W420 Y421 R422 A427 A428	W420-S424 WeakPolarHBondContact O-CB 3.08Å; W420-S424 PolarHBondContact O-N 3.33Å; W420-S424 PolarHBondContact O-OG 3.32Å; W420-S424 VanDerWaalsContact O-OG 3.12Å; Y421-S424 PolarHBondContact O-N 3.39Å; R422-S424 VanDerWaalsContact C-N 3.31Å; R422-S424 PolarHBondContact O-N 2.88Å; S424-A427 PolarHBondContact O-N 3.1Å; S424-A428 WeakPolarHBondContact O-CB 3.44Å; S424-A428 PolarHBondContact O-N 3.49Å
425	F	96.3	Very high	94	Very high	43 Å²	43	58.2 Å²	58.2	19%	0.189	31%	0.309	C	S	.	.	H	α-helix	trans	-68.9	-42.1	179.2	-178.4	-112.5	0	0	0	112.5	F404 V405 I408 L412 V415 Y421 R422 V423 A428 T429	F404-F425 HydrophobicContact CE1-CZ 4.31Å; V405-F425 HydrophobicContact CB-CE1 4.31Å; V405-F425 HydrophobicContact CG1-CD1 4.06Å; V405-F425 HydrophobicContact CG1-CE1 4.14Å; V405-F425 HydrophobicContact CG2-CD1 4.32Å; V405-F425 HydrophobicContact CG2-CE1 4.15Å; I408-F425 HydrophobicContact CB-CE1 4.17Å; I408-F425 HydrophobicContact CB-CZ 3.72Å; I408-F425 HydrophobicContact CG1-CZ 4.25Å; I408-F425 HydrophobicContact CG2-CE1 4.32Å; I408-F425 HydrophobicContact CG2-CE2 4.15Å; I408-F425 HydrophobicContact CG2-CZ 3.56Å; L412-F425 HydrophobicContact CD1-CE2 4.46Å; V415-F425 HydrophobicContact CG1-CB 4.13Å; V415-F425 HydrophobicContact CG1-CD1 3.86Å; V415-F425 HydrophobicContact CG1-CG 4.22Å; V415-F425 HydrophobicContact CG2-CB 4.22Å; V415-F425 HydrophobicContact CG2-CG 4.27Å; Y421-F425 VanDerWaalsContact O-CB 3.27Å; Y421-F425 WeakPolarHBondContact O-CB 3.33Å; Y421-F425 PolarHBondContact O-N 2.84Å; R422-F425 PolarHBondContact O-N 2.99Å; R422-F425 VanDerWaalsContact O-N 3.16Å; V423-F425 PolarHBondContact O-N 3.21Å; F425-A428 PolarHBondContact O-N 3.28Å; F425-T429 PolarHBondContact O-N 3.38Å; F425-T429 PolarHBondContact O-OG1 3Å
426	V	96.9	Very high	94.6	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-63.6	-43.6	173.2	-179	0	0	0	0	109.9	F226 I229 V405 R422 V423 A428 T429 C430	F226-V426 HydrophobicContact CD2-CB 4.43Å; F226-V426 HydrophobicContact CD2-CG1 3.94Å; F226-V426 HydrophobicContact CE2-CG1 4.47Å; I229-V426 HydrophobicContact CB-CG1 4.27Å; I229-V426 HydrophobicContact CG2-CG1 4.04Å; I229-V426 HydrophobicContact CG2-CG2 4.37Å; V405-V426 HydrophobicContact CG1-CG2 4.21Å; V405-V426 HydrophobicContact CG2-CG2 4.01Å; R422-V426 HydrophobicContact CG-CG2 4.26Å; R422-V426 VanDerWaalsContact O-CG2 3.3Å; R422-V426 WeakPolarHBondContact O-CG2 3.45Å; R422-V426 PolarHBondContact O-N 3.5Å; V423-V426 PolarHBondContact O-N 2.79Å; V426-A428 PolarHBondContact O-N 3.36Å; V426-T429 WeakPolarHBondContact O-CB 3.2Å; V426-T429 PolarHBondContact O-N 2.81Å; V426-C430 PolarHBondContact O-N 3.16Å; V426-C430 PolarHBondContact O-SG 2.93Å; V426-C430 VanDerWaalsContact O-SG 3.34Å
427	A	98.1	Very high	95.4	Very high	25 Å²	25	56.9 Å²	56.9	21%	0.207	30%	0.302	C	S	.	.	H	α-helix	trans	-58.8	-47	176.1	0	0	0	0	0	111.8	F226 V423 S424 T429 C430 I431	F226-A427 HydrophobicContact CD2-CB 4.18Å; F226-A427 HydrophobicContact CE2-CB 3.63Å; F226-A427 HydrophobicContact CZ-CB 4.25Å; V423-A427 WeakPolarHBondContact O-CB 3.5Å; V423-A427 PolarHBondContact O-N 2.86Å; S424-A427 PolarHBondContact O-N 3.1Å; A427-T429 VanDerWaalsContact C-N 3.33Å; A427-T429 PolarHBondContact O-N 3.39Å; A427-C430 PolarHBondContact O-N 2.93Å; A427-I431 WeakPolarHBondContact O-CB 3.13Å; A427-I431 VanDerWaalsContact O-CG1 3.22Å; A427-I431 WeakPolarHBondContact O-CG1 3.47Å; A427-I431 PolarHBondContact O-N 3.26Å
428	A	97.6	Very high	96.2	Very high	55 Å²	55	54.3 Å²	54.3	46%	0.455	29%	0.288	S	S	.	.	H	α-helix	trans	-60.4	-41.9	176.9	0	0	0	0	0	112	S424 F425 V426 I431 L432	S424-A428 WeakPolarHBondContact O-CB 3.44Å; S424-A428 PolarHBondContact O-N 3.49Å; F425-A428 PolarHBondContact O-N 3.28Å; V426-A428 PolarHBondContact O-N 3.36Å; A428-I431 PolarHBondContact O-N 3.46Å; A428-L432 WeakPolarHBondContact O-CB 3.49Å; A428-L432 PolarHBondContact O-N 2.91Å
429	T	97.2	Very high	96.7	Very high	10 Å²	10	57.1 Å²	57.1	6%	0.061	30%	0.297	C	S	.	.	H	α-helix	trans	-61.1	-47.4	176.1	-57.2	0	0	0	0	111.3	V401 F404 F425 V426 A427 S433	V401-T429 HydrophobicContact CG1-CG2 4.5Å; F404-T429 HydrophobicContact CD1-CG2 3.64Å; F404-T429 HydrophobicContact CE1-CG2 3.7Å; F425-T429 PolarHBondContact O-N 3.38Å; F425-T429 PolarHBondContact O-OG1 3Å; V426-T429 WeakPolarHBondContact O-CB 3.2Å; V426-T429 PolarHBondContact O-N 2.81Å; A427-T429 VanDerWaalsContact C-N 3.33Å; A427-T429 PolarHBondContact O-N 3.39Å; T429-S433 WeakPolarHBondContact O-CB 3.47Å; T429-S433 PolarHBondContact O-N 3.42Å; T429-S433 PolarHBondContact O-OG 2.67Å
430	C	98.5	Very high	97.1	Very high	7 Å²	7	52.7 Å²	52.7	5%	0.047	27%	0.269	C	S	.	.	H	α-helix	trans	-65.2	-42	177.6	-65.8	0	0	0	0	112.2	W222 V426 A427 S433 Y434	W222-C430 HydrophobicContact CD2-CB 4.39Å; W222-C430 HydrophobicContact CE3-CB 3.7Å; W222-C430 HydrophobicContact CZ3-CB 4.26Å; V426-C430 PolarHBondContact O-N 3.16Å; V426-C430 PolarHBondContact O-SG 2.93Å; V426-C430 VanDerWaalsContact O-SG 3.34Å; A427-C430 PolarHBondContact O-N 2.93Å; C430-S433 PolarHBondContact O-N 3.39Å; C430-Y434 VanDerWaalsContact O-CB 3.23Å; C430-Y434 WeakPolarHBondContact O-CB 3.43Å; C430-Y434 PolarHBondContact O-N 3.21Å
431	I	98.5	Very high	97.3	Very high	118 Å²	118	43.3 Å²	43.3	61%	0.605	23%	0.233	S	C	*	.	H	α-helix	trans	-64.7	-43.4	179	-70.8	165.5	0	0	0	110.9	A427 A428 Y434 G435	A427-I431 WeakPolarHBondContact O-CB 3.13Å; A427-I431 VanDerWaalsContact O-CG1 3.22Å; A427-I431 WeakPolarHBondContact O-CG1 3.47Å; A427-I431 PolarHBondContact O-N 3.26Å; A428-I431 PolarHBondContact O-N 3.46Å; I431-Y434 PolarHBondContact O-N 3.23Å; I431-G435 PolarHBondContact O-N 3.47Å
432	L	98.3	Very high	97.6	Very high	103 Å²	103	38.3 Å²	38.3	54%	0.539	22%	0.215	S	C	.	.	H	α-helix	trans	-63.8	-46.1	176.9	-179	62.8	0	0	0	111.1	F124 A428 Y434 G435 I436	F124-L432 HydrophobicContact CE2-CD2 4.26Å; F124-L432 HydrophobicContact CZ-CD2 3.76Å; F124-L432 HydrophobicContact CZ-CG 4.02Å; A428-L432 WeakPolarHBondContact O-CB 3.49Å; A428-L432 PolarHBondContact O-N 2.91Å; L432-Y434 VanDerWaalsContact C-N 3.34Å; L432-Y434 PolarHBondContact O-N 3.36Å; L432-G435 PolarHBondContact O-N 2.89Å; L432-G435 VanDerWaalsContact O-N 3.16Å; L432-I436 WeakPolarHBondContact O-CG1 3.32Å; L432-I436 PolarHBondContact O-N 3.09Å
433	S	98.1	Very high	97.8	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.007	22%	0.217	C	C	.	.	H	α-helix	trans	-66.4	-36.4	179.3	-51.8	0	0	0	0	112	F124 T429 C430 I436 G437	F124-S433 WeakPolarHBondContact CE2-OG 3.43Å; T429-S433 WeakPolarHBondContact O-CB 3.47Å; T429-S433 PolarHBondContact O-N 3.42Å; T429-S433 PolarHBondContact O-OG 2.67Å; C430-S433 PolarHBondContact O-N 3.39Å; S433-I436 PolarHBondContact O-N 2.96Å; S433-G437 PolarHBondContact O-N 3.41Å
434	Y	98.6	Very high	97.9	Very high	51 Å²	51	36.2 Å²	36.2	20%	0.2	21%	0.205	C	C	.	.	H	α-helix	trans	-60.3	-46.4	169.5	171.4	-104.1	0	0	0	111.4	L218 L219 W222 C430 I431 L432 I436 G437 L438	L218-Y434 HydrophobicContact CB-CE2 4.29Å; L218-Y434 HydrophobicContact CD2-CD2 3.97Å; L218-Y434 HydrophobicContact CD2-CE2 4.15Å; L218-Y434 HydrophobicContact CG-CD2 3.87Å; L218-Y434 HydrophobicContact CG-CE2 4.1Å; L219-Y434 HydrophobicContact CB-CE2 3.83Å; L219-Y434 HydrophobicContact CD1-CE2 4.32Å; W222-Y434 AromaticContact CD1-CD2 3.87Å; C430-Y434 VanDerWaalsContact O-CB 3.23Å; C430-Y434 WeakPolarHBondContact O-CB 3.43Å; C430-Y434 PolarHBondContact O-N 3.21Å; I431-Y434 PolarHBondContact O-N 3.23Å; L432-Y434 VanDerWaalsContact C-N 3.34Å; L432-Y434 PolarHBondContact O-N 3.36Å; Y434-I436 VanDerWaalsContact C-N 3.31Å; Y434-I436 PolarHBondContact O-N 2.93Å; Y434-G437 CarbonylContact O-C 3.55Å; Y434-G437 WeakPolarHBondContact O-CA 3.25Å; Y434-G437 PolarHBondContact O-N 3.37Å; Y434-G437 VanDerWaalsContact O-N 3.11Å; Y434-L438 HydrophobicContact CD1-CD1 4.3Å; Y434-L438 HydrophobicContact CD1-CG 4.42Å; Y434-L438 HydrophobicContact CE1-CD1 3.75Å; Y434-L438 HydrophobicContact CE1-CD2 4.23Å; Y434-L438 HydrophobicContact CE1-CG 4.02Å; Y434-L438 HydrophobicContact CE2-CD2 4.03Å; Y434-L438 HydrophobicContact CE2-CG 4.37Å; Y434-L438 WeakPolarHBondContact O-CG 3.12Å; Y434-L438 PolarHBondContact O-N 3.36Å
435	G	98.4	Very high	98	Very high	29 Å²	29	33 Å²	33	30%	0.299	18%	0.182	S	C	.	.	H	α-helix	trans	-58.9	-39.7	176.7	0	0	0	0	0	113.1	I431 L432 L438 F439	I431-G435 PolarHBondContact O-N 3.47Å; L432-G435 PolarHBondContact O-N 2.89Å; L432-G435 VanDerWaalsContact O-N 3.16Å; G435-L438 WeakPolarHBondContact O-CB 3.37Å; G435-L438 PolarHBondContact O-N 3.02Å; G435-F439 WeakPolarHBondContact O-CD2 3.18Å
436	I	97.8	Very high	98	Very high	39 Å²	39	31 Å²	31	20%	0.2	17%	0.174	C	C	.	.	H	α-helix	trans	-67.1	-45.4	172.7	-64.4	169.4	0	0	0	110.5	F124 L432 S433 Y434 L438 F439 M440 F452	F124-I436 HydrophobicContact CE1-CD1 3.61Å; F124-I436 HydrophobicContact CZ-CD1 3.65Å; L432-I436 WeakPolarHBondContact O-CG1 3.32Å; L432-I436 PolarHBondContact O-N 3.09Å; S433-I436 PolarHBondContact O-N 2.96Å; Y434-I436 VanDerWaalsContact C-N 3.31Å; Y434-I436 PolarHBondContact O-N 2.93Å; I436-L438 PolarHBondContact O-N 3.26Å; I436-F439 WeakPolarHBondContact O-CD2 3.35Å; I436-F439 PolarHBondContact O-N 2.97Å; I436-M440 HydrophobicContact CG2-CE 4.04Å; I436-F452 HydrophobicContact CG2-CE1 4.19Å; I436-F452 HydrophobicContact CG2-CZ 4.15Å
437	G	98.4	Very high	97.9	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-61.2	-26.6	177.9	0	0	0	0	0	113.7	S433 Y434 F439 M440 V441	S433-G437 PolarHBondContact O-N 3.41Å; Y434-G437 CarbonylContact O-C 3.55Å; Y434-G437 WeakPolarHBondContact O-CA 3.25Å; Y434-G437 PolarHBondContact O-N 3.37Å; Y434-G437 VanDerWaalsContact O-N 3.11Å; G437-F439 PolarHBondContact O-N 3.05Å; G437-M440 WeakPolarHBondContact O-CB 3.3Å; G437-M440 PolarHBondContact O-N 3.21Å; G437-V441 PolarHBondContact O-N 2.99Å
438	L	98.6	Very high	97.9	Very high	44 Å²	44	30.9 Å²	30.9	23%	0.23	17%	0.169	C	C	.	.	H	α-helix	trans	-58.5	-34.3	175.5	-77.4	-179.6	0	0	0	113	V210 A215 Y434 G435 I436 M440 V441 T442	V210-L438 HydrophobicContact CG1-CD2 4.1Å; A215-L438 HydrophobicContact CB-CD2 3.79Å; Y434-L438 HydrophobicContact CD1-CD1 4.3Å; Y434-L438 HydrophobicContact CD1-CG 4.42Å; Y434-L438 HydrophobicContact CE1-CD1 3.75Å; Y434-L438 HydrophobicContact CE1-CD2 4.23Å; Y434-L438 HydrophobicContact CE1-CG 4.02Å; Y434-L438 HydrophobicContact CE2-CD2 4.03Å; Y434-L438 HydrophobicContact CE2-CG 4.37Å; Y434-L438 WeakPolarHBondContact O-CG 3.12Å; Y434-L438 PolarHBondContact O-N 3.36Å; G435-L438 WeakPolarHBondContact O-CB 3.37Å; G435-L438 PolarHBondContact O-N 3.02Å; I436-L438 PolarHBondContact O-N 3.26Å; L438-M440 PolarHBondContact O-N 3.48Å; L438-V441 HydrophobicContact CD2-CG2 4.02Å; L438-V441 WeakPolarHBondContact O-CG2 3.48Å; L438-V441 PolarHBondContact O-N 3.01Å; L438-T442 WeakPolarHBondContact O-CG2 3.33Å
439	F	97.8	Very high	97.8	Very high	121 Å²	121	28.4 Å²	28.4	53%	0.531	15%	0.148	S	C	.	.	H	α-helix	trans	-63.3	-32.1	175.8	-69.3	-83.2	0	0	0	112	G435 I436 G437 T442 G445 I448	G435-F439 WeakPolarHBondContact O-CD2 3.18Å; I436-F439 WeakPolarHBondContact O-CD2 3.35Å; I436-F439 PolarHBondContact O-N 2.97Å; G437-F439 PolarHBondContact O-N 3.05Å; F439-T442 PolarHBondContact O-OG1 3.45Å; F439-G445 VanDerWaalsContact O-CA 3.31Å; F439-G445 WeakPolarHBondContact O-CA 3.22Å; F439-I448 HydrophobicContact CB-CD1 4.04Å
440	M	98	Very high	97.7	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.01	15%	0.15	C	C	.	.	H	α-helix	trans	-85.4	-7.7	-177.9	-60.1	178	-146.3	0	0	113.8	Y129 V132 I436 G437 L438 G445 I448 F449 F452	Y129-M440 WeakPolarHBondContact CB-SD 3.22Å; V132-M440 HydrophobicContact CB-CB 4.49Å; V132-M440 HydrophobicContact CG1-CB 4.1Å; V132-M440 HydrophobicContact CG2-CB 3.76Å; V132-M440 HydrophobicContact CG2-CG 4.42Å; V132-M440 HydrophobicContact CG2-SD 3.88Å; I436-M440 HydrophobicContact CG2-CE 4.04Å; G437-M440 WeakPolarHBondContact O-CB 3.3Å; G437-M440 PolarHBondContact O-N 3.21Å; L438-M440 PolarHBondContact O-N 3.48Å; M440-G445 CarbonylContact O-C 3.54Å; M440-G445 VanDerWaalsContact O-C 3.31Å; M440-G445 WeakPolarHBondContact O-CA 3.26Å; M440-I448 HydrophobicContact CG-CB 4.28Å; M440-I448 HydrophobicContact CG-CG2 3.79Å; M440-F449 HydrophobicContact CB-CB 4.3Å; M440-F449 HydrophobicContact CG-CB 4.34Å; M440-F449 HydrophobicContact SD-CB 4.38Å; M440-F449 HydrophobicContact SD-CD2 4.29Å; M440-F452 HydrophobicContact CE-CB 4.16Å; M440-F452 HydrophobicContact CE-CD1 3.52Å; M440-F452 HydrophobicContact CE-CD2 3.61Å; M440-F452 HydrophobicContact CE-CE1 3.67Å; M440-F452 HydrophobicContact CE-CE2 3.76Å; M440-F452 HydrophobicContact CE-CG 3.47Å; M440-F452 VanDerWaalsContact CE-CG 3.47Å; M440-F452 HydrophobicContact CE-CZ 3.79Å; M440-F452 HydrophobicContact SD-CG 4.4Å
441	V	98.2	Very high	97.5	Very high	2 Å²	2	29 Å²	29	1%	0.012	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.9	15.4	172.5	-60.9	0	0	0	0	112.9	V132 V210 Q211 L214 A215 L218 G437 L438	V132-V441 HydrophobicContact CG1-CG1 3.9Å; V210-V441 HydrophobicContact CG1-CG2 4.29Å; Q211-V441 WeakPolarHBondContact CB-O 3.29Å; Q211-V441 PolarHBondContact N-O 3.22Å; L214-V441 HydrophobicContact CB-CB 3.93Å; L214-V441 HydrophobicContact CB-CG1 4.02Å; L214-V441 HydrophobicContact CD1-CB 4.42Å; L214-V441 HydrophobicContact CD1-CG1 4.47Å; A215-V441 HydrophobicContact CB-CG2 4.43Å; L218-V441 HydrophobicContact CD2-CG1 4.27Å; L218-V441 HydrophobicContact CD2-CG2 4.43Å; G437-V441 PolarHBondContact O-N 2.99Å; L438-V441 HydrophobicContact CD2-CG2 4.02Å; L438-V441 WeakPolarHBondContact O-CG2 3.48Å; L438-V441 PolarHBondContact O-N 3.01Å
442	T	98.6	Very high	97.3	Very high	12 Å²	12	25 Å²	25	7%	0.074	13%	0.128	C	C	.	.	B	Isolated β-bridge	trans	-76.6	173	166.9	63.9	0	0	0	0	111.6	L207 T209 V210 Q211 L438 F439 G444 G445	L207-T442 VanDerWaalsContact O-CB 3.28Å; L207-T442 WeakPolarHBondContact O-CB 3.34Å; L207-T442 PolarHBondContact O-OG1 2.72Å; T209-T442 CarbonylContact O-C 3.55Å; T209-T442 WeakPolarHBondContact O-CA 3.38Å; V210-T442 HydrophobicContact CG2-CG2 4.01Å; Q211-T442 PolarHBondContact NE2-O 2.91Å; L438-T442 WeakPolarHBondContact O-CG2 3.33Å; F439-T442 PolarHBondContact O-OG1 3.45Å; T442-G444 VanDerWaalsContact C-N 3.25Å; T442-G444 PolarHBondContact O-N 3.48Å; T442-G445 WeakPolarHBondContact O-CA 3.47Å; T442-G445 PolarHBondContact O-N 3.23Å; T442-G445 WeakPolarHBondContact OG1-CA 3.38Å; T442-G445 PolarHBondContact OG1-N 3.02Å; T442-G445 VanDerWaalsContact OG1-N 3.08Å
443	N	98.2	Very high	97	Very high	31 Å²	31	22.9 Å²	22.9	17%	0.166	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-37.9	172	-60.3	84.9	0	0	0	112.3	R199 I200 S201 L207 T209 G445	R199-N443 WeakPolarHBondContact CB-ND2 3.43Å; R199-N443 WeakPolarHBondContact O-CB 3.41Å; R199-N443 PolarHBondContact O-ND2 3.21Å; I200-N443 CarbonylContact C-O 3.59Å; I200-N443 WeakPolarHBondContact CA-O 3.34Å; S201-N443 PolarHBondContact N-O 2.56Å; L207-N443 WeakPolarHBondContact O-CB 3.46Å; L207-N443 PolarHBondContact O-N 2.88Å; L207-N443 VanDerWaalsContact O-N 3.08Å; T209-N443 PolarHBondContact N-OD1 3.31Å; T209-N443 PolarHBondContact O-N 3.23Å; T209-N443 VanDerWaalsContact O-N 3.14Å; T209-N443 PolarHBondContact O-OD1 2.91Å; T209-N443 PolarHBondContact OG1-OD1 3.18Å; N443-G445 VanDerWaalsContact C-N 3.28Å
444	G	97.6	Very high	96.7	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	3.7	173	0	0	0	0	0	114	S201 L207 T442 M446 Y447	S201-G444 VanDerWaalsContact OG-CA 3.28Å; S201-G444 WeakPolarHBondContact OG-CA 3.29Å; L207-G444 PolarHBondContact O-N 2.88Å; T442-G444 VanDerWaalsContact C-N 3.25Å; T442-G444 PolarHBondContact O-N 3.48Å; G444-M446 VanDerWaalsContact C-N 3.32Å; G444-M446 PolarHBondContact O-N 3.42Å; G444-Y447 WeakPolarHBondContact O-CD2 3.23Å; G444-Y447 PolarHBondContact O-N 3.15Å; G444-Y447 VanDerWaalsContact O-N 3.13Å
445	G	97.7	Very high	96.4	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-65	-30.7	-168.9	0	0	0	0	0	114.3	F439 M440 T442 N443 Y447 I448 F449	F439-G445 VanDerWaalsContact O-CA 3.31Å; F439-G445 WeakPolarHBondContact O-CA 3.22Å; M440-G445 CarbonylContact O-C 3.54Å; M440-G445 VanDerWaalsContact O-C 3.31Å; M440-G445 WeakPolarHBondContact O-CA 3.26Å; T442-G445 WeakPolarHBondContact O-CA 3.47Å; T442-G445 PolarHBondContact O-N 3.23Å; T442-G445 WeakPolarHBondContact OG1-CA 3.38Å; T442-G445 PolarHBondContact OG1-N 3.02Å; T442-G445 VanDerWaalsContact OG1-N 3.08Å; N443-G445 VanDerWaalsContact C-N 3.28Å; G445-Y447 VanDerWaalsContact C-N 3.28Å; G445-Y447 PolarHBondContact O-N 3.44Å; G445-I448 PolarHBondContact O-N 3.5Å; G445-F449 WeakPolarHBondContact O-CB 3.49Å; G445-F449 PolarHBondContact O-N 2.99Å
446	M	95.8	Very high	95.8	Very high	2 Å²	2	22.2 Å²	22.2	1%	0.01	11%	0.106	C	C	.	.	H	α-helix	trans	-61.8	-33.8	175.4	175.7	53.4	91.7	0	0	112.7	W136 W193 L198 I200 P361 G444 F449 Q450 Y525	W136-M446 HydrophobicContact CH2-CE 3.79Å; W136-M446 HydrophobicContact CH2-SD 4.18Å; W136-M446 HydrophobicContact CZ2-CE 4.08Å; W136-M446 HydrophobicContact CZ3-CE 4.39Å; W193-M446 HydrophobicContact CH2-CE 4.43Å; W193-M446 HydrophobicContact CZ2-CE 3.4Å; W193-M446 VanDerWaalsContact CZ2-CE 3.4Å; L198-M446 HydrophobicContact CD1-CB 4.15Å; L198-M446 HydrophobicContact CD1-CE 3.69Å; L198-M446 HydrophobicContact CD1-CG 4.24Å; I200-M446 HydrophobicContact CD1-CB 3.9Å; I200-M446 HydrophobicContact CD1-CG 4.01Å; I200-M446 HydrophobicContact CG1-CB 4.48Å; P361-M446 HydrophobicContact CB-CE 4.04Å; P361-M446 HydrophobicContact CG-CE 4.15Å; G444-M446 VanDerWaalsContact C-N 3.32Å; G444-M446 PolarHBondContact O-N 3.42Å; M446-F449 HydrophobicContact SD-CD1 4.13Å; M446-Q450 PolarHBondContact O-N 3.17Å; M446-Q450 VanDerWaalsContact O-N 3.1Å; M446-Q450 PolarHBondContact O-NE2 3.04Å; M446-Q450 HydrophobicContact SD-CG 4.29Å; M446-Y525 HydrophobicContact CG-CE1 3.82Å; M446-Y525 HydrophobicContact CG-CE2 4.45Å
447	Y	96.4	Very high	94.6	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-71.5	-40.5	176.1	-54.4	-77.7	0	0	0	111	I200 S201 G203 I204 G444 G445 Q450 L451 Y525 Y534 F536	I200-Y447 HydrophobicContact CD1-CE2 4.23Å; I200-Y447 HydrophobicContact CG1-CE2 3.98Å; S201-Y447 WeakPolarHBondContact O-CE2 3.41Å; S201-Y447 PolarHBondContact O-OH 3.1Å; G203-Y447 VanDerWaalsContact C-CD2 3.5Å; G203-Y447 VanDerWaalsContact CA-CE2 3.42Å; I204-Y447 HydrophobicContact CB-CG 4.46Å; G444-Y447 WeakPolarHBondContact O-CD2 3.23Å; G444-Y447 PolarHBondContact O-N 3.15Å; G444-Y447 VanDerWaalsContact O-N 3.13Å; G445-Y447 VanDerWaalsContact C-N 3.28Å; G445-Y447 PolarHBondContact O-N 3.44Å; Y447-Q450 PolarHBondContact O-N 3.09Å; Y447-L451 PolarHBondContact O-N 3.41Å; Y447-L451 VanDerWaalsContact O-N 3.09Å; Y447-Y525 HydrophobicContact CD1-CD1 4.04Å; Y447-Y525 AromaticContact CE1-CD1 3.69Å; Y447-Y525 HydrophobicContact CE1-CD1 3.69Å; Y447-Y525 HydrophobicContact CE1-CE1 4.3Å; Y447-Y534 AromaticContact CD1-CD1 3.6Å; Y447-Y534 HydrophobicContact CD1-CD1 3.6Å; Y447-Y534 AromaticContact CD1-CE1 3.66Å; Y447-Y534 HydrophobicContact CD1-CE1 3.66Å; Y447-Y534 HydrophobicContact CD1-CG 4.21Å; Y447-Y534 AromaticContact CE1-CD1 3.64Å; Y447-Y534 HydrophobicContact CE1-CD1 3.64Å; Y447-Y534 HydrophobicContact CE1-CD2 4.17Å; Y447-Y534 AromaticContact CE1-CE1 3.95Å; Y447-Y534 HydrophobicContact CE1-CE1 3.95Å; Y447-Y534 HydrophobicContact CE1-CE2 4.47Å; Y447-Y534 AromaticContact CE1-CG 3.74Å; Y447-Y534 HydrophobicContact CE1-CG 3.74Å; Y447-Y534 HydrophobicContact CG-CE1 4.43Å; Y447-F536 HydrophobicContact CD1-CZ 4.28Å; Y447-F536 WeakPolarHBondContact O-CE1 3.41Å
448	I	97.1	Very high	93.5	Very high	22 Å²	22	21.5 Å²	21.5	11%	0.113	10%	0.104	C	C	.	.	H	α-helix	trans	-63.8	-45	174.1	-61.9	179.7	0	0	0	110.3	I204 L207 F439 M440 G445 Q450 L451 F452	I204-I448 HydrophobicContact CD1-CG1 4.24Å; I204-I448 HydrophobicContact CG1-CG1 4.12Å; L207-I448 HydrophobicContact CD1-CD1 4.45Å; L207-I448 HydrophobicContact CD2-CD1 3.5Å; L207-I448 HydrophobicContact CD2-CG1 4.16Å; F439-I448 HydrophobicContact CB-CD1 4.04Å; M440-I448 HydrophobicContact CG-CB 4.28Å; M440-I448 HydrophobicContact CG-CG2 3.79Å; G445-I448 PolarHBondContact O-N 3.5Å; I448-Q450 VanDerWaalsContact C-N 3.29Å; I448-Q450 PolarHBondContact O-N 3.45Å; I448-L451 WeakPolarHBondContact O-CB 3.23Å; I448-L451 PolarHBondContact O-N 3.14Å; I448-L451 VanDerWaalsContact O-N 3.1Å; I448-F452 HydrophobicContact CG2-CD2 3.92Å; I448-F452 HydrophobicContact CG2-CE2 3.93Å; I448-F452 WeakPolarHBondContact O-CD2 3.35Å; I448-F452 PolarHBondContact O-N 3.34Å
449	F	96.5	Very high	93	Very high	2 Å²	2	21.5 Å²	21.5	1%	0.009	10%	0.101	C	C	.	.	H	α-helix	trans	-54	-47.7	177	172.8	-87.6	0	0	0	111.3	Y129 V132 I133 W136 P361 M440 G445 M446 L451 F452 D453	Y129-F449 HydrophobicContact CD2-CD2 4.21Å; Y129-F449 AromaticContact CD2-CE2 3.64Å; Y129-F449 HydrophobicContact CD2-CE2 3.64Å; Y129-F449 HydrophobicContact CD2-CZ 4Å; Y129-F449 HydrophobicContact CE2-CE2 4.43Å; Y129-F449 HydrophobicContact CE2-CZ 4.37Å; Y129-F449 WeakPolarHBondContact O-CE2 3.22Å; V132-F449 HydrophobicContact CB-CD2 4.13Å; V132-F449 HydrophobicContact CB-CE2 4.35Å; V132-F449 HydrophobicContact CG1-CD2 4.23Å; I133-F449 HydrophobicContact CD1-CE2 4.15Å; I133-F449 HydrophobicContact CD1-CZ 3.81Å; I133-F449 HydrophobicContact CG1-CE2 3.61Å; I133-F449 HydrophobicContact CG1-CZ 3.63Å; W136-F449 HydrophobicContact CH2-CB 4.34Å; W136-F449 AromaticContact CH2-CD1 3.68Å; W136-F449 HydrophobicContact CH2-CD1 3.68Å; W136-F449 AromaticContact CH2-CD2 3.59Å; W136-F449 HydrophobicContact CH2-CD2 3.59Å; W136-F449 AromaticContact CH2-CE1 3.82Å; W136-F449 HydrophobicContact CH2-CE1 3.82Å; W136-F449 AromaticContact CH2-CE2 3.69Å; W136-F449 HydrophobicContact CH2-CE2 3.69Å; W136-F449 AromaticContact CH2-CG 3.58Å; W136-F449 HydrophobicContact CH2-CG 3.58Å; W136-F449 AromaticContact CH2-CZ 3.82Å; W136-F449 HydrophobicContact CH2-CZ 3.82Å; W136-F449 HydrophobicContact CZ2-CD2 4.25Å; W136-F449 HydrophobicContact CZ2-CG 4.28Å; W136-F449 HydrophobicContact CZ3-CD1 4.35Å; W136-F449 HydrophobicContact CZ3-CD2 4.24Å; W136-F449 HydrophobicContact CZ3-CE1 4.01Å; W136-F449 AromaticContact CZ3-CE2 3.86Å; W136-F449 HydrophobicContact CZ3-CE2 3.86Å; W136-F449 HydrophobicContact CZ3-CG 4.47Å; W136-F449 AromaticContact CZ3-CZ 3.75Å; W136-F449 HydrophobicContact CZ3-CZ 3.75Å; P361-F449 HydrophobicContact CG-CE1 3.85Å; M440-F449 HydrophobicContact CB-CB 4.3Å; M440-F449 HydrophobicContact CG-CB 4.34Å; M440-F449 HydrophobicContact SD-CB 4.38Å; M440-F449 HydrophobicContact SD-CD2 4.29Å; G445-F449 WeakPolarHBondContact O-CB 3.49Å; G445-F449 PolarHBondContact O-N 2.99Å; M446-F449 HydrophobicContact SD-CD1 4.13Å; F449-L451 VanDerWaalsContact C-N 3.32Å; F449-L451 PolarHBondContact O-N 3.01Å; F449-F452 WeakPolarHBondContact O-CB 3.49Å; F449-F452 PolarHBondContact O-N 3.24Å; F449-D453 HydrophobicContact CE1-CB 4.34Å; F449-D453 PolarHBondContact O-N 2.82Å
450	Q	94.4	Very high	92.8	Very high	19 Å²	19	16.4 Å²	16.4	9%	0.089	8%	0.08	C	C	.	.	H	α-helix	trans	-65.9	-34.5	178.3	-79	177.9	70.8	0	0	113.2	M446 Y447 I448 F452 Y454 L523 Y525 F536	M446-Q450 PolarHBondContact O-N 3.17Å; M446-Q450 VanDerWaalsContact O-N 3.1Å; M446-Q450 PolarHBondContact O-NE2 3.04Å; M446-Q450 HydrophobicContact SD-CG 4.29Å; Y447-Q450 PolarHBondContact O-N 3.09Å; I448-Q450 VanDerWaalsContact C-N 3.29Å; I448-Q450 PolarHBondContact O-N 3.45Å; Q450-F452 VanDerWaalsContact C-N 3.32Å; Q450-F452 PolarHBondContact O-N 3.4Å; Q450-Y454 WeakPolarHBondContact O-CB 2.87Å; Q450-Y454 PolarHBondContact O-N 3.4Å; Q450-L523 HydrophobicContact CB-CD2 4.34Å; Q450-Y525 VanDerWaalsContact OE1-CG 3.32Å; Q450-F536 HydrophobicContact CB-CZ 4.22Å
451	L	94.9	Very high	92.6	Very high	11 Å²	11	16.4 Å²	16.4	6%	0.058	8%	0.08	C	C	.	.	H	α-helix	trans	-61.7	-43.1	173	-166.1	74.1	0	0	0	111	I204 Y447 I448 F449 Y455 L523 S540 L543 M547	I204-L451 HydrophobicContact CD1-CD2 4.49Å; Y447-L451 PolarHBondContact O-N 3.41Å; Y447-L451 VanDerWaalsContact O-N 3.09Å; I448-L451 WeakPolarHBondContact O-CB 3.23Å; I448-L451 PolarHBondContact O-N 3.14Å; I448-L451 VanDerWaalsContact O-N 3.1Å; F449-L451 VanDerWaalsContact C-N 3.32Å; F449-L451 PolarHBondContact O-N 3.01Å; L451-Y455 HydrophobicContact CD1-CD2 3.61Å; L451-Y455 HydrophobicContact CD1-CE2 3.59Å; L451-Y455 HydrophobicContact CG-CD2 4.14Å; L451-Y455 WeakPolarHBondContact O-CB 3.07Å; L451-Y455 WeakPolarHBondContact O-CD2 3.45Å; L451-Y455 PolarHBondContact O-N 3.13Å; L451-Y455 VanDerWaalsContact O-N 3.14Å; L451-L523 HydrophobicContact CD1-CD2 4.24Å; L451-S540 WeakPolarHBondContact CD1-O 3.44Å; L451-L543 HydrophobicContact CD2-CB 4.48Å; L451-M547 WeakPolarHBondContact O-CE 3.28Å
452	F	94	Very high	92.5	Very high	33 Å²	33	16.3 Å²	16.3	15%	0.145	8%	0.079	C	C	.	.	H	α-helix	trans	-64.1	-52	175	-89.5	-108.8	0	0	0	112.3	L125 Y129 I436 M440 I448 F449 Q450 Y454 Y455 S456 M547	L125-F452 HydrophobicContact CD2-CE1 3.95Å; Y129-F452 HydrophobicContact CD1-CB 4.07Å; Y129-F452 HydrophobicContact CG-CB 4.03Å; I436-F452 HydrophobicContact CG2-CE1 4.19Å; I436-F452 HydrophobicContact CG2-CZ 4.15Å; M440-F452 HydrophobicContact CE-CB 4.16Å; M440-F452 HydrophobicContact CE-CD1 3.52Å; M440-F452 HydrophobicContact CE-CD2 3.61Å; M440-F452 HydrophobicContact CE-CE1 3.67Å; M440-F452 HydrophobicContact CE-CE2 3.76Å; M440-F452 HydrophobicContact CE-CG 3.47Å; M440-F452 VanDerWaalsContact CE-CG 3.47Å; M440-F452 HydrophobicContact CE-CZ 3.79Å; M440-F452 HydrophobicContact SD-CG 4.4Å; I448-F452 HydrophobicContact CG2-CD2 3.92Å; I448-F452 HydrophobicContact CG2-CE2 3.93Å; I448-F452 WeakPolarHBondContact O-CD2 3.35Å; I448-F452 PolarHBondContact O-N 3.34Å; F449-F452 WeakPolarHBondContact O-CB 3.49Å; F449-F452 PolarHBondContact O-N 3.24Å; Q450-F452 VanDerWaalsContact C-N 3.32Å; Q450-F452 PolarHBondContact O-N 3.4Å; F452-Y454 VanDerWaalsContact C-N 3.28Å; F452-Y454 PolarHBondContact O-N 3.24Å; F452-Y455 PolarHBondContact O-N 3.1Å; F452-S456 WeakPolarHBondContact O-CB 3.37Å; F452-S456 PolarHBondContact O-N 3.36Å; F452-S456 PolarHBondContact O-OG 2.81Å; F452-M547 HydrophobicContact CD1-SD 3.8Å; F452-M547 HydrophobicContact CD2-CE 4.2Å; F452-M547 HydrophobicContact CD2-SD 4.09Å; F452-M547 HydrophobicContact CE1-SD 3.75Å; F452-M547 HydrophobicContact CE2-SD 4.04Å; F452-M547 HydrophobicContact CG-CE 4.18Å; F452-M547 HydrophobicContact CG-SD 3.98Å; F452-M547 HydrophobicContact CZ-SD 3.88Å
453	D	91.7	Very high	92.3	Very high	59 Å²	59	17.3 Å²	17.3	32%	0.316	9%	0.086	S	C	.	.	H	α-helix	trans	-59.1	-40.9	-178.6	-173.1	49.3	0	0	0	111.8	Y129 F449	Y129-D453 HydrophobicContact CD2-CB 4.23Å; Y129-D453 HydrophobicContact CE2-CB 3.75Å; Y129-D453 WeakPolarHBondContact CE2-OD1 3.29Å; Y129-D453 VanDerWaalsContact CZ-OD1 3.29Å; Y129-D453 PolarHBondContact OH-OD1 3.37Å; F449-D453 HydrophobicContact CE1-CB 4.34Å; F449-D453 PolarHBondContact O-N 2.82Å
454	Y	92.3	Very high	92.3	Very high	56 Å²	56	15.8 Å²	15.8	22%	0.22	8%	0.078	C	C	.	.	H	α-helix	trans	-73.8	-42.1	-177.3	-165.3	-102.7	0	0	0	113.7	Q450 F452 R459 Y520 E521 L523	Q450-Y454 WeakPolarHBondContact O-CB 2.87Å; Q450-Y454 PolarHBondContact O-N 3.4Å; F452-Y454 VanDerWaalsContact C-N 3.28Å; F452-Y454 PolarHBondContact O-N 3.24Å; Y454-R459 PolarHBondContact OH-NH2 2.94Å; Y454-Y520 AromaticContact CE1-CE2 3.99Å; Y454-Y520 HydrophobicContact CE1-CE2 3.99Å; Y454-E521 PolarHBondContact OH-O 2.94Å; Y454-L523 HydrophobicContact CD1-CB 3.93Å; Y454-L523 HydrophobicContact CD1-CD1 4.42Å; Y454-L523 HydrophobicContact CD2-CD1 3.87Å; Y454-L523 HydrophobicContact CE1-CB 4.16Å; Y454-L523 HydrophobicContact CG-CB 4.19Å; Y454-L523 HydrophobicContact CG-CD1 3.82Å; Y454-L523 HydrophobicContact CG-CD2 4.38Å; Y454-L523 HydrophobicContact CG-CG 4.34Å
455	Y	92.4	Very high	92.3	Very high	10 Å²	10	15.8 Å²	15.8	4%	0.039	8%	0.078	C	C	.	.	H	α-helix	trans	-101.2	-22.2	-169.7	-73.2	-76.7	0	0	0	115.4	L451 F452 Y520 L523 G544 W545 A548	L451-Y455 HydrophobicContact CD1-CD2 3.61Å; L451-Y455 HydrophobicContact CD1-CE2 3.59Å; L451-Y455 HydrophobicContact CG-CD2 4.14Å; L451-Y455 WeakPolarHBondContact O-CB 3.07Å; L451-Y455 WeakPolarHBondContact O-CD2 3.45Å; L451-Y455 PolarHBondContact O-N 3.13Å; L451-Y455 VanDerWaalsContact O-N 3.14Å; F452-Y455 PolarHBondContact O-N 3.1Å; Y455-Y520 PolarHBondContact OH-OH 3.45Å; Y455-L523 HydrophobicContact CE2-CB 4.41Å; Y455-L523 HydrophobicContact CE2-CD2 4.32Å; Y455-G544 WeakPolarHBondContact CB-O 3.4Å; Y455-W545 HydrophobicContact CD1-CD2 4.34Å; Y455-W545 AromaticContact CE1-CD1 3.94Å; Y455-W545 AromaticContact CE1-CD2 3.96Å; Y455-W545 HydrophobicContact CE1-CD2 3.96Å; Y455-W545 AromaticContact CE1-CE2 3.72Å; Y455-W545 HydrophobicContact CE1-CG 4.13Å; Y455-W545 HydrophobicContact CE1-CZ2 4.22Å; Y455-W545 AromaticContact CE1-NE1 3.69Å; Y455-A548 WeakPolarHBondContact O-CB 3.19Å
456	S	85.4	Confident	92.2	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.007	9%	0.088	C	C	.	.	S	Bend	trans	-75	-31.6	-170.8	63.9	0	0	0	0	114.6	Y129 F452	Y129-S456 WeakPolarHBondContact CE1-OG 3.43Å; F452-S456 WeakPolarHBondContact O-CB 3.37Å; F452-S456 PolarHBondContact O-N 3.36Å; F452-S456 PolarHBondContact O-OG 2.81Å
457	G	71.5	Confident	92.3	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.099	C	C	.	.	S	Bend	trans	-122.9	-59.3	-168.6	0	0	0	0	0	116.1	R459 I460 I461	G457-R459 PolarHBondContact O-N 3.38Å; G457-I460 PolarHBondContact O-N 3.27Å; G457-I460 VanDerWaalsContact O-N 3.17Å; G457-I461 WeakPolarHBondContact O-CB 3.36Å; G457-I461 WeakPolarHBondContact O-CD1 3.28Å; G457-I461 WeakPolarHBondContact O-CG1 3.28Å; G457-I461 PolarHBondContact O-N 3.26Å
458	S	76.2	Confident	92.4	Very high	24 Å²	24	20.2 Å²	20.2	17%	0.168	10%	0.099	C	C	.	.	H	α-helix	trans	-50.3	-57	-153.9	-54.3	0	0	0	0	115.6	F294	F294-S458 VanDerWaalsContact CE2-CA 3.45Å; F294-S458 WeakPolarHBondContact CE2-OG 3.48Å; F294-S458 WeakPolarHBondContact CZ-OG 3.38Å
459	R	89.1	Confident	92.5	Very high	44 Å²	44	19.2 Å²	19.2	17%	0.166	9%	0.094	C	C	.	.	H	α-helix	trans	-84.3	-28.7	-173.8	-56.9	172	-160.5	-76.5	4.1	111.6	Y454 G457 L462 C463 S516	Y454-R459 PolarHBondContact OH-NH2 2.94Å; G457-R459 PolarHBondContact O-N 3.38Å; R459-L462 PolarHBondContact O-N 3.37Å; R459-C463 PolarHBondContact O-N 3.49Å; R459-S516 PolarHBondContact NH1-O 3Å
460	I	92	Very high	92.5	Very high	14 Å²	14	21.4 Å²	21.4	7%	0.072	11%	0.105	C	C	.	.	H	α-helix	trans	-74.9	-39	-176	-55.4	-56.3	0	0	0	110.8	I122 G457 L462 C463 V464 A548 L552	I122-I460 HydrophobicContact CD1-CG2 3.73Å; I122-I460 HydrophobicContact CG1-CG2 4.29Å; G457-I460 PolarHBondContact O-N 3.27Å; G457-I460 VanDerWaalsContact O-N 3.17Å; I460-L462 VanDerWaalsContact C-N 3.3Å; I460-L462 PolarHBondContact O-N 3.2Å; I460-C463 WeakPolarHBondContact O-CB 3.49Å; I460-C463 PolarHBondContact O-N 3.2Å; I460-C463 VanDerWaalsContact O-N 3.13Å; I460-V464 HydrophobicContact CG2-CG2 4.5Å; I460-V464 WeakPolarHBondContact O-CG2 3.42Å; I460-V464 PolarHBondContact O-N 3.28Å; I460-A548 HydrophobicContact CD1-CB 3.9Å; I460-A548 HydrophobicContact CG1-CB 3.93Å; I460-L552 HydrophobicContact CD1-CD1 3.62Å; I460-L552 HydrophobicContact CD1-CG 4.12Å; I460-L552 HydrophobicContact CG2-CD1 4.29Å; I460-L552 HydrophobicContact CG2-CD2 3.68Å; I460-L552 HydrophobicContact CG2-CG 3.67Å
461	I	94.9	Very high	92.7	Very high	3 Å²	3	20.5 Å²	20.5	2%	0.015	10%	0.101	C	C	.	.	H	α-helix	trans	-57	-42.6	173.1	-73.5	166.9	0	0	0	111	I122 F293 F294 I298 L300 G457 C463 V464 T465	I122-I461 HydrophobicContact CD1-CG1 4.49Å; I122-I461 HydrophobicContact CG2-CD1 4.26Å; I122-I461 HydrophobicContact CG2-CG1 4.04Å; F293-I461 HydrophobicContact CB-CG2 4.07Å; F293-I461 HydrophobicContact CD1-CG2 3.73Å; F293-I461 HydrophobicContact CG-CG2 4.31Å; F294-I461 HydrophobicContact CE1-CD1 4.21Å; I298-I461 WeakPolarHBondContact O-CG2 3.33Å; L300-I461 HydrophobicContact CD2-CD1 3.89Å; L300-I461 HydrophobicContact CD2-CG1 4.28Å; G457-I461 WeakPolarHBondContact O-CB 3.36Å; G457-I461 WeakPolarHBondContact O-CD1 3.28Å; G457-I461 WeakPolarHBondContact O-CG1 3.28Å; G457-I461 PolarHBondContact O-N 3.26Å; I461-C463 VanDerWaalsContact C-N 3.31Å; I461-C463 PolarHBondContact O-N 3.35Å; I461-V464 PolarHBondContact O-N 3.11Å; I461-T465 HydrophobicContact CG2-CG2 4.17Å; I461-T465 WeakPolarHBondContact O-CB 3.4Å; I461-T465 WeakPolarHBondContact O-CG2 3.43Å; I461-T465 PolarHBondContact O-N 2.88Å; I461-T465 PolarHBondContact O-OG1 3.23Å
462	L	95.6	Very high	92.8	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-61.3	-39.2	177.1	-65.2	174.7	0	0	0	112.3	T290 F293 R459 I460 T465 F466 T509 L512 F513	T290-L462 HydrophobicContact CG2-CD1 4.14Å; F293-L462 HydrophobicContact CD1-CD2 3.96Å; F293-L462 HydrophobicContact CD2-CD2 3.56Å; F293-L462 HydrophobicContact CE1-CD2 3.86Å; F293-L462 HydrophobicContact CE2-CD2 3.48Å; F293-L462 VanDerWaalsContact CE2-CD2 3.48Å; F293-L462 HydrophobicContact CG-CD2 3.81Å; F293-L462 HydrophobicContact CZ-CD2 3.62Å; R459-L462 PolarHBondContact O-N 3.37Å; I460-L462 VanDerWaalsContact C-N 3.3Å; I460-L462 PolarHBondContact O-N 3.2Å; L462-T465 WeakPolarHBondContact CA-OG1 3.32Å; L462-T465 PolarHBondContact O-OG1 2.84Å; L462-T465 VanDerWaalsContact O-OG1 3.08Å; L462-F466 VanDerWaalsContact O-CB 3.23Å; L462-F466 WeakPolarHBondContact O-CB 3.35Å; L462-F466 PolarHBondContact O-N 3.06Å; L462-T509 HydrophobicContact CD2-CG2 4.27Å; L462-T509 WeakPolarHBondContact O-CG2 3.08Å; L462-L512 HydrophobicContact CD1-CB 4.43Å; L462-L512 HydrophobicContact CD2-CB 4.38Å; L462-F513 HydrophobicContact CB-CB 4.17Å; L462-F513 HydrophobicContact CB-CD2 4.13Å; L462-F513 HydrophobicContact CD1-CB 4.42Å
463	C	95.1	Very high	92.9	Very high	32 Å²	32	18.5 Å²	18.5	22%	0.216	9%	0.092	C	C	.	.	H	α-helix	trans	-68.2	-47.5	177.3	-176.4	0	0	0	0	111.7	R459 I460 I461 T465 F466 L467 F513 L552	R459-C463 PolarHBondContact O-N 3.49Å; I460-C463 WeakPolarHBondContact O-CB 3.49Å; I460-C463 PolarHBondContact O-N 3.2Å; I460-C463 VanDerWaalsContact O-N 3.13Å; I461-C463 VanDerWaalsContact C-N 3.31Å; I461-C463 PolarHBondContact O-N 3.35Å; C463-T465 PolarHBondContact O-N 2.99Å; C463-F466 PolarHBondContact O-N 3.24Å; C463-L467 WeakPolarHBondContact O-CG 3.45Å; C463-L467 PolarHBondContact O-N 2.94Å; C463-L467 VanDerWaalsContact O-N 3.08Å; C463-F513 HydrophobicContact CB-CE2 4.41Å; C463-L552 HydrophobicContact CB-CD2 4.19Å
464	V	97.1	Very high	93.1	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-57.8	-51.6	177.9	170.6	0	0	0	0	110.4	I115 A118 S119 I122 I460 I461 F466 L467 E468 L552 I555	I115-V464 HydrophobicContact CG2-CG1 3.95Å; A118-V464 HydrophobicContact CB-CG2 4.09Å; S119-V464 WeakPolarHBondContact OG-CG1 3.38Å; I122-V464 HydrophobicContact CD1-CG2 3.9Å; I460-V464 HydrophobicContact CG2-CG2 4.5Å; I460-V464 WeakPolarHBondContact O-CG2 3.42Å; I460-V464 PolarHBondContact O-N 3.28Å; I461-V464 PolarHBondContact O-N 3.11Å; V464-F466 PolarHBondContact O-N 3.43Å; V464-L467 CarbonylContact O-C 3.21Å; V464-L467 WeakPolarHBondContact O-CA 3.23Å; V464-L467 WeakPolarHBondContact O-CB 3.45Å; V464-L467 PolarHBondContact O-N 2.98Å; V464-L467 VanDerWaalsContact O-N 3.07Å; V464-E468 WeakPolarHBondContact O-CG 3.3Å; V464-E468 PolarHBondContact O-N 2.91Å; V464-L552 HydrophobicContact CG2-CD2 4Å; V464-I555 HydrophobicContact CG2-CD1 4.4Å
465	T	97.3	Very high	93.3	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-67.9	-34.1	-177.6	53.6	0	0	0	0	113.6	F293 I298 I461 L462 C463 L467 E468 C469	F293-T465 HydrophobicContact CD1-CG2 4.16Å; F293-T465 HydrophobicContact CE1-CG2 3.95Å; F293-T465 VanDerWaalsContact CE1-OG1 3.23Å; F293-T465 WeakPolarHBondContact CE1-OG1 3.48Å; I298-T465 HydrophobicContact CG2-CG2 3.56Å; I461-T465 HydrophobicContact CG2-CG2 4.17Å; I461-T465 WeakPolarHBondContact O-CB 3.4Å; I461-T465 WeakPolarHBondContact O-CG2 3.43Å; I461-T465 PolarHBondContact O-N 2.88Å; I461-T465 PolarHBondContact O-OG1 3.23Å; L462-T465 WeakPolarHBondContact CA-OG1 3.32Å; L462-T465 PolarHBondContact O-OG1 2.84Å; L462-T465 VanDerWaalsContact O-OG1 3.08Å; C463-T465 PolarHBondContact O-N 2.99Å; T465-L467 VanDerWaalsContact C-N 3.32Å; T465-E468 WeakPolarHBondContact O-CB 3.45Å; T465-E468 PolarHBondContact O-N 3.18Å; T465-C469 PolarHBondContact O-N 3.44Å; T465-C469 VanDerWaalsContact O-N 3.12Å
466	F	97.7	Very high	93.5	Very high	49 Å²	49	22.7 Å²	22.7	22%	0.215	11%	0.108	C	C	.	.	H	α-helix	trans	-58.1	-47	168.5	170.6	-103.5	0	0	0	110.8	L462 C463 V464 E468 C469 I470 P506 T509 L510	L462-F466 VanDerWaalsContact O-CB 3.23Å; L462-F466 WeakPolarHBondContact O-CB 3.35Å; L462-F466 PolarHBondContact O-N 3.06Å; C463-F466 PolarHBondContact O-N 3.24Å; V464-F466 PolarHBondContact O-N 3.43Å; F466-E468 VanDerWaalsContact C-N 3.32Å; F466-E468 PolarHBondContact O-N 3.5Å; F466-C469 WeakPolarHBondContact O-CB 3.48Å; F466-C469 PolarHBondContact O-N 2.87Å; F466-I470 HydrophobicContact CD1-CG1 4.35Å; F466-I470 HydrophobicContact CD2-CG1 4.39Å; F466-I470 HydrophobicContact CE1-CG1 3.88Å; F466-I470 HydrophobicContact CE2-CD1 3.97Å; F466-I470 HydrophobicContact CE2-CG1 3.93Å; F466-I470 HydrophobicContact CZ-CD1 3.9Å; F466-I470 HydrophobicContact CZ-CG1 3.65Å; F466-I470 WeakPolarHBondContact O-CG1 3.45Å; F466-I470 PolarHBondContact O-N 3.15Å; F466-P506 HydrophobicContact CD2-CB 4.22Å; F466-P506 WeakPolarHBondContact CD2-O 3.38Å; F466-P506 HydrophobicContact CE2-CB 4.17Å; F466-T509 HydrophobicContact CB-CG2 4.04Å; F466-L510 HydrophobicContact CD2-CB 4.02Å; F466-L510 HydrophobicContact CE2-CB 3.91Å; F466-L510 HydrophobicContact CE2-CD1 4.39Å; F466-L510 HydrophobicContact CE2-CD2 4.3Å; F466-L510 HydrophobicContact CE2-CG 4.43Å; F466-L510 HydrophobicContact CZ-CD1 4.45Å
467	L	97.9	Very high	93.9	Very high	44 Å²	44	23.5 Å²	23.5	23%	0.23	12%	0.117	C	C	.	.	H	α-helix	trans	-65.1	-34.8	177.6	-66.4	170.3	0	0	0	112.2	I115 C463 V464 T465 C469 I470 V471 I555	I115-L467 HydrophobicContact CD1-CB 3.95Å; C463-L467 WeakPolarHBondContact O-CG 3.45Å; C463-L467 PolarHBondContact O-N 2.94Å; C463-L467 VanDerWaalsContact O-N 3.08Å; V464-L467 CarbonylContact O-C 3.21Å; V464-L467 WeakPolarHBondContact O-CA 3.23Å; V464-L467 WeakPolarHBondContact O-CB 3.45Å; V464-L467 PolarHBondContact O-N 2.98Å; V464-L467 VanDerWaalsContact O-N 3.07Å; T465-L467 VanDerWaalsContact C-N 3.32Å; L467-C469 PolarHBondContact O-N 3.29Å; L467-I470 PolarHBondContact O-N 3.31Å; L467-V471 WeakPolarHBondContact O-CB 3.38Å; L467-V471 VanDerWaalsContact O-CG2 3.28Å; L467-V471 WeakPolarHBondContact O-CG2 3.45Å; L467-V471 PolarHBondContact O-N 3.02Å; L467-I555 HydrophobicContact CD1-CD1 3.7Å; L467-I555 HydrophobicContact CD1-CG2 4.35Å
468	E	98.2	Very high	95	Very high	2 Å²	2	26 Å²	26	1%	0.009	13%	0.127	C	C	.	.	H	α-helix	trans	-57.5	-48.3	172.8	-64.6	-175.4	162.5	0	0	111.6	L90 W106 I115 V464 T465 F466 I470 V471 I472	L90-E468 HydrophobicContact CD2-CB 4.23Å; W106-E468 HydrophobicContact CH2-CB 3.94Å; W106-E468 HydrophobicContact CH2-CG 3.69Å; W106-E468 HydrophobicContact CZ2-CB 4.31Å; W106-E468 HydrophobicContact CZ2-CG 3.59Å; I115-E468 HydrophobicContact CG2-CG 3.63Å; V464-E468 WeakPolarHBondContact O-CG 3.3Å; V464-E468 PolarHBondContact O-N 2.91Å; T465-E468 WeakPolarHBondContact O-CB 3.45Å; T465-E468 PolarHBondContact O-N 3.18Å; F466-E468 VanDerWaalsContact C-N 3.32Å; F466-E468 PolarHBondContact O-N 3.5Å; E468-I470 PolarHBondContact O-N 3.06Å; E468-V471 PolarHBondContact O-N 3.4Å; E468-I472 WeakPolarHBondContact O-CB 3.12Å; E468-I472 WeakPolarHBondContact O-CG1 3.16Å; E468-I472 PolarHBondContact O-N 3.16Å
469	C	97.9	Very high	95.9	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-60.6	-45	175.2	-70.7	0	0	0	0	112.3	L87 T465 F466 L467 G473 P506	L87-C469 WeakPolarHBondContact CD2-SG 3.5Å; T465-C469 PolarHBondContact O-N 3.44Å; T465-C469 VanDerWaalsContact O-N 3.12Å; F466-C469 WeakPolarHBondContact O-CB 3.48Å; F466-C469 PolarHBondContact O-N 2.87Å; L467-C469 PolarHBondContact O-N 3.29Å; C469-G473 WeakPolarHBondContact O-CA 3.43Å; C469-G473 PolarHBondContact O-N 2.88Å; C469-P506 HydrophobicContact CB-CB 3.85Å; C469-P506 HydrophobicContact CB-CG 4.34Å
470	I	97.5	Very high	96.1	Very high	48 Å²	48	33.2 Å²	33.2	25%	0.246	15%	0.15	C	C	.	.	H	α-helix	trans	-63.2	-45.9	-178.9	-65.3	-56.4	0	0	0	111	F466 L467 E468 Y474 P506	F466-I470 HydrophobicContact CD1-CG1 4.35Å; F466-I470 HydrophobicContact CD2-CG1 4.39Å; F466-I470 HydrophobicContact CE1-CG1 3.88Å; F466-I470 HydrophobicContact CE2-CD1 3.97Å; F466-I470 HydrophobicContact CE2-CG1 3.93Å; F466-I470 HydrophobicContact CZ-CD1 3.9Å; F466-I470 HydrophobicContact CZ-CG1 3.65Å; F466-I470 WeakPolarHBondContact O-CG1 3.45Å; F466-I470 PolarHBondContact O-N 3.15Å; L467-I470 PolarHBondContact O-N 3.31Å; E468-I470 PolarHBondContact O-N 3.06Å; I470-Y474 HydrophobicContact CD1-CD2 4.08Å; I470-Y474 HydrophobicContact CD1-CE2 4.05Å; I470-Y474 WeakPolarHBondContact O-CB 3.22Å; I470-Y474 PolarHBondContact O-N 2.94Å; I470-P506 HydrophobicContact CD1-CB 4.16Å
471	V	98	Very high	96.2	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.006	15%	0.147	C	C	.	.	I	π-helix	trans	-66	-49.4	-179.1	175.9	0	0	0	0	110.8	W106 C109 F112 I115 L467 E468 I475 Y476	W106-V471 HydrophobicContact CE3-CG1 4.36Å; W106-V471 HydrophobicContact CZ3-CB 4.06Å; W106-V471 HydrophobicContact CZ3-CG1 3.8Å; C109-V471 HydrophobicContact CB-CG1 3.98Å; F112-V471 HydrophobicContact CB-CG1 4.11Å; F112-V471 HydrophobicContact CB-CG2 3.96Å; F112-V471 HydrophobicContact CD1-CG2 3.49Å; F112-V471 VanDerWaalsContact CD1-CG2 3.49Å; F112-V471 HydrophobicContact CD2-CG1 3.87Å; F112-V471 HydrophobicContact CD2-CG2 3.77Å; F112-V471 HydrophobicContact CE1-CG2 3.85Å; F112-V471 HydrophobicContact CE2-CG2 4.13Å; F112-V471 HydrophobicContact CG-CB 4.44Å; F112-V471 HydrophobicContact CG-CG1 4.05Å; F112-V471 HydrophobicContact CG-CG2 3.44Å; F112-V471 VanDerWaalsContact CG-CG2 3.44Å; F112-V471 HydrophobicContact CZ-CG2 4.16Å; I115-V471 HydrophobicContact CD1-CG2 3.8Å; L467-V471 WeakPolarHBondContact O-CB 3.38Å; L467-V471 VanDerWaalsContact O-CG2 3.28Å; L467-V471 WeakPolarHBondContact O-CG2 3.45Å; L467-V471 PolarHBondContact O-N 3.02Å; E468-V471 PolarHBondContact O-N 3.4Å; V471-I475 HydrophobicContact CG1-CB 4.48Å; V471-I475 HydrophobicContact CG2-CD1 4.24Å; V471-I475 WeakPolarHBondContact O-CA 3.43Å; V471-I475 WeakPolarHBondContact O-CB 3.27Å; V471-I475 PolarHBondContact O-N 3.38Å; V471-Y476 PolarHBondContact O-N 3Å
472	I	97.4	Very high	96.1	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	15%	0.147	C	C	.	.	I	π-helix	trans	-69.9	-42.6	-178.4	-61.5	-61.1	0	0	0	111.4	L90 L94 W106 I108 E468 G477 W478 F481 L501	L90-I472 HydrophobicContact CD1-CB 4.13Å; L90-I472 HydrophobicContact CD1-CG1 4.28Å; L90-I472 HydrophobicContact CD1-CG2 4.12Å; L94-I472 HydrophobicContact CD1-CD1 4.42Å; W106-I472 HydrophobicContact CH2-CG1 4.45Å; W106-I472 HydrophobicContact CZ3-CD1 4.28Å; W106-I472 HydrophobicContact CZ3-CG1 4.47Å; I108-I472 HydrophobicContact CD1-CD1 4.37Å; I108-I472 HydrophobicContact CG2-CD1 4.02Å; E468-I472 WeakPolarHBondContact O-CB 3.12Å; E468-I472 WeakPolarHBondContact O-CG1 3.16Å; E468-I472 PolarHBondContact O-N 3.16Å; I472-G477 CarbonylContact O-C 3.42Å; I472-G477 PolarHBondContact O-N 3.48Å; I472-G477 VanDerWaalsContact O-N 3.09Å; I472-W478 PolarHBondContact O-N 2.91Å; I472-F481 HydrophobicContact CG2-CB 4.07Å; I472-F481 HydrophobicContact CG2-CD1 3.87Å; I472-F481 HydrophobicContact CG2-CD2 3.89Å; I472-F481 HydrophobicContact CG2-CE1 4.24Å; I472-F481 HydrophobicContact CG2-CE2 4.26Å; I472-F481 HydrophobicContact CG2-CG 3.67Å; I472-F481 HydrophobicContact CG2-CZ 4.42Å; I472-L501 HydrophobicContact CG2-CD1 4.26Å
473	G	96.4	Very high	96	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.01	16%	0.162	C	C	.	.	I	π-helix	trans	-70.1	-43.6	-176.5	0	0	0	0	0	113.8	C469 W478	C469-G473 WeakPolarHBondContact O-CA 3.43Å; C469-G473 PolarHBondContact O-N 2.88Å; G473-W478 PolarHBondContact O-N 3.39Å
474	Y	96.5	Very high	95.9	Very high	137 Å²	137	34.3 Å²	34.3	54%	0.537	15%	0.154	S	C	.	.	I	π-helix	trans	-111.4	-37.5	-170.3	-66.8	-86.1	0	0	0	114.7	I470 C502	I470-Y474 HydrophobicContact CD1-CD2 4.08Å; I470-Y474 HydrophobicContact CD1-CE2 4.05Å; I470-Y474 WeakPolarHBondContact O-CB 3.22Å; I470-Y474 PolarHBondContact O-N 2.94Å; Y474-C502 HydrophobicContact CE1-CB 4.38Å; Y474-C502 HydrophobicContact CE2-CB 4.06Å; Y474-C502 PolarHBondContact OH-O 3.4Å
475	I	95.6	Very high	95.8	Very high	66 Å²	66	34.7 Å²	34.7	34%	0.338	16%	0.156	S	C	.	.	I	π-helix	trans	-88.5	-53.2	-173.9	-55.4	-176.5	0	0	0	110.9	F112 V471 C578	F112-I475 HydrophobicContact CD2-CD1 4.22Å; F112-I475 HydrophobicContact CE1-CD1 4.32Å; F112-I475 HydrophobicContact CE2-CD1 3.25Å; F112-I475 HydrophobicContact CE2-CG2 4.25Å; F112-I475 HydrophobicContact CZ-CD1 3.31Å; V471-I475 HydrophobicContact CG1-CB 4.48Å; V471-I475 HydrophobicContact CG2-CD1 4.24Å; V471-I475 WeakPolarHBondContact O-CA 3.43Å; V471-I475 WeakPolarHBondContact O-CB 3.27Å; V471-I475 PolarHBondContact O-N 3.38Å; I475-C578 HydrophobicContact CG2-CB 4.27Å
476	Y	95.7	Very high	95.6	Very high	10 Å²	10	39.4 Å²	39.4	4%	0.039	18%	0.177	C	C	.	.	I	π-helix	trans	-70.2	-38.4	171	-177.2	-111.8	0	0	0	111.4	I108 V471 R480 F481 D484 P580	I108-Y476 HydrophobicContact CD1-CD1 4.02Å; I108-Y476 HydrophobicContact CD1-CD2 4.32Å; I108-Y476 HydrophobicContact CD1-CE1 3.66Å; I108-Y476 HydrophobicContact CD1-CE2 3.99Å; I108-Y476 HydrophobicContact CD1-CG 4.32Å; I108-Y476 HydrophobicContact CG1-CD1 4.24Å; I108-Y476 HydrophobicContact CG1-CD2 3.63Å; I108-Y476 HydrophobicContact CG1-CE1 3.99Å; I108-Y476 HydrophobicContact CG1-CE2 3.34Å; I108-Y476 HydrophobicContact CG1-CG 4.05Å; I108-Y476 WeakPolarHBondContact O-CD2 3.41Å; V471-Y476 PolarHBondContact O-N 3Å; Y476-R480 HydrophobicContact CD1-CB 4.45Å; Y476-R480 HydrophobicContact CE1-CB 3.99Å; Y476-R480 HydrophobicContact CE1-CG 3.75Å; Y476-R480 HydrophobicContact CE2-CG 4.28Å; Y476-R480 VanDerWaalsContact OH-CD 3.29Å; Y476-R480 WeakPolarHBondContact OH-CD 3.49Å; Y476-R480 WeakPolarHBondContact OH-CG 3.5Å; Y476-F481 HydrophobicContact CD1-CB 4.1Å; Y476-F481 HydrophobicContact CD1-CD2 4.46Å; Y476-F481 HydrophobicContact CE1-CB 4.06Å; Y476-F481 HydrophobicContact CE1-CD2 4.22Å; Y476-D484 WeakPolarHBondContact CE1-OD2 3.31Å; Y476-D484 PolarHBondContact OH-OD2 2.9Å; Y476-P580 HydrophobicContact CE2-CB 3.95Å; Y476-P580 HydrophobicContact CE2-CG 4.01Å
477	G	95	Very high	95.4	Very high	19 Å²	19	38.7 Å²	38.7	20%	0.196	18%	0.177	C	C	.	.	I	π-helix	trans	99	120.4	175.2	0	0	0	0	0	112.4	I472 R479 R480 F481	I472-G477 CarbonylContact O-C 3.42Å; I472-G477 PolarHBondContact O-N 3.48Å; I472-G477 VanDerWaalsContact O-N 3.09Å; G477-R479 PolarHBondContact O-N 3.37Å; G477-R479 VanDerWaalsContact O-N 3.11Å; G477-R480 PolarHBondContact O-N 2.89Å; G477-R480 VanDerWaalsContact O-N 3.1Å; G477-F481 PolarHBondContact O-N 2.85Å; G477-F481 VanDerWaalsContact O-N 3.17Å
478	W	94.9	Very high	95.2	Very high	51 Å²	51	36.6 Å²	36.6	19%	0.193	17%	0.167	C	C	.	.	H	α-helix	trans	-56.3	-31.1	-179.3	71.1	-95.3	0	0	0	113.8	I472 G473 A482 K494 C497 C498	I472-W478 PolarHBondContact O-N 2.91Å; G473-W478 PolarHBondContact O-N 3.39Å; W478-A482 HydrophobicContact CE3-CB 4.49Å; W478-A482 VanDerWaalsContact O-CB 3.23Å; W478-A482 WeakPolarHBondContact O-CB 3.29Å; W478-A482 PolarHBondContact O-N 3.44Å; W478-K494 HydrophobicContact CZ3-CB 4.32Å; W478-K494 WeakPolarHBondContact CZ3-O 3.47Å; W478-C497 HydrophobicContact CE3-CB 4.45Å; W478-C498 HydrophobicContact CD2-CB 3.61Å; W478-C498 VanDerWaalsContact CE2-SG 3.55Å; W478-C498 HydrophobicContact CE3-CB 3.62Å; W478-C498 HydrophobicContact CG-CB 4.32Å; W478-C498 HydrophobicContact CH2-CB 3.75Å; W478-C498 HydrophobicContact CZ2-CB 3.73Å; W478-C498 HydrophobicContact CZ3-CB 3.72Å
479	R	94.7	Very high	95	Very high	157 Å²	157	37.6 Å²	37.6	59%	0.592	17%	0.17	S	C	*	.	H	α-helix	trans	-65.7	-44.6	179	-70.8	-175.4	-179.2	-178	1.8	111.5	G477 A482 N483	G477-R479 PolarHBondContact O-N 3.37Å; G477-R479 VanDerWaalsContact O-N 3.11Å; R479-A482 PolarHBondContact O-N 3.21Å; R479-N483 VanDerWaalsContact O-CG 3.24Å; R479-N483 PolarHBondContact O-N 3.43Å; R479-N483 PolarHBondContact O-ND2 2.93Å
480	R	92.4	Very high	94.6	Very high	64 Å²	64	40.7 Å²	40.7	24%	0.242	20%	0.202	C	C	.	.	H	α-helix	trans	-63	-50.5	177.4	-172.9	179.9	-75.4	173.5	-3.4	109.5	Y476 G477 A482 N483 D484	Y476-R480 HydrophobicContact CD1-CB 4.45Å; Y476-R480 HydrophobicContact CE1-CB 3.99Å; Y476-R480 HydrophobicContact CE1-CG 3.75Å; Y476-R480 HydrophobicContact CE2-CG 4.28Å; Y476-R480 VanDerWaalsContact OH-CD 3.29Å; Y476-R480 WeakPolarHBondContact OH-CD 3.49Å; Y476-R480 WeakPolarHBondContact OH-CG 3.5Å; G477-R480 PolarHBondContact O-N 2.89Å; G477-R480 VanDerWaalsContact O-N 3.1Å; R480-A482 VanDerWaalsContact C-N 3.32Å; R480-A482 PolarHBondContact O-N 3.01Å; R480-N483 CarbonylContact O-C 3.29Å; R480-N483 WeakPolarHBondContact O-CA 3.39Å; R480-N483 WeakPolarHBondContact O-CB 3.42Å; R480-N483 PolarHBondContact O-N 2.82Å; R480-D484 VanDerWaalsContact O-CG 3.27Å; R480-D484 PolarHBondContact O-N 3.49Å; R480-D484 VanDerWaalsContact O-OD2 3.09Å
481	F	94	Very high	94.2	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.009	21%	0.208	C	C	.	.	H	α-helix	trans	-59.6	-39.3	177	-164.9	-109.5	0	0	0	113.3	A93 I108 I472 Y476 G477 N483 D484 M485 L501	A93-F481 HydrophobicContact CB-CE1 4.5Å; A93-F481 HydrophobicContact CB-CZ 3.93Å; I108-F481 HydrophobicContact CD1-CD2 4.45Å; I472-F481 HydrophobicContact CG2-CB 4.07Å; I472-F481 HydrophobicContact CG2-CD1 3.87Å; I472-F481 HydrophobicContact CG2-CD2 3.89Å; I472-F481 HydrophobicContact CG2-CE1 4.24Å; I472-F481 HydrophobicContact CG2-CE2 4.26Å; I472-F481 HydrophobicContact CG2-CG 3.67Å; I472-F481 HydrophobicContact CG2-CZ 4.42Å; Y476-F481 HydrophobicContact CD1-CB 4.1Å; Y476-F481 HydrophobicContact CD1-CD2 4.46Å; Y476-F481 HydrophobicContact CE1-CB 4.06Å; Y476-F481 HydrophobicContact CE1-CD2 4.22Å; G477-F481 PolarHBondContact O-N 2.85Å; G477-F481 VanDerWaalsContact O-N 3.17Å; F481-N483 VanDerWaalsContact C-N 3.3Å; F481-N483 PolarHBondContact O-N 3.42Å; F481-D484 WeakPolarHBondContact CA-OD2 3.46Å; F481-D484 WeakPolarHBondContact O-CB 3.33Å; F481-D484 PolarHBondContact O-N 3.32Å; F481-M485 HydrophobicContact CD1-CG 4.37Å; F481-M485 HydrophobicContact CD1-SD 4.04Å; F481-M485 HydrophobicContact CE1-CG 4.19Å; F481-M485 HydrophobicContact CE1-SD 3.77Å; F481-M485 WeakPolarHBondContact O-CG 3.47Å; F481-M485 PolarHBondContact O-N 3.04Å; F481-L501 HydrophobicContact CD1-CD1 3.64Å; F481-L501 HydrophobicContact CE1-CD1 4.12Å
482	A	94.1	Very high	93.3	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-65.5	-32.3	174.8	0	0	0	0	0	112.7	W478 R479 R480 K486 K494 C497	W478-A482 HydrophobicContact CE3-CB 4.49Å; W478-A482 VanDerWaalsContact O-CB 3.23Å; W478-A482 WeakPolarHBondContact O-CB 3.29Å; W478-A482 PolarHBondContact O-N 3.44Å; R479-A482 PolarHBondContact O-N 3.21Å; R480-A482 VanDerWaalsContact C-N 3.32Å; R480-A482 PolarHBondContact O-N 3.01Å; A482-K486 WeakPolarHBondContact O-CB 3.31Å; A482-K486 PolarHBondContact O-N 3.3Å; A482-K494 HydrophobicContact CB-CG 4.26Å; A482-C497 HydrophobicContact CB-CB 3.83Å
483	N	93.4	Very high	92.5	Very high	61 Å²	61	46.6 Å²	46.6	33%	0.326	23%	0.233	S	C	.	.	H	α-helix	trans	-72.1	-38.3	173.2	-68.3	-24.7	0	0	0	111.2	R479 R480 F481 K486 S487 K494	R479-N483 VanDerWaalsContact O-CG 3.24Å; R479-N483 PolarHBondContact O-N 3.43Å; R479-N483 PolarHBondContact O-ND2 2.93Å; R480-N483 CarbonylContact O-C 3.29Å; R480-N483 WeakPolarHBondContact O-CA 3.39Å; R480-N483 WeakPolarHBondContact O-CB 3.42Å; R480-N483 PolarHBondContact O-N 2.82Å; F481-N483 VanDerWaalsContact C-N 3.3Å; F481-N483 PolarHBondContact O-N 3.42Å; N483-K486 CarbonylContact O-C 3.51Å; N483-K486 WeakPolarHBondContact O-CA 3.19Å; N483-K486 WeakPolarHBondContact O-CB 3.38Å; N483-K486 PolarHBondContact O-N 3.38Å; N483-K486 VanDerWaalsContact O-N 3.11Å; N483-S487 PolarHBondContact O-N 2.85Å; N483-S487 PolarHBondContact O-OG 3.33Å; N483-K494 VanDerWaalsContact OD1-CE 3.3Å; N483-K494 WeakPolarHBondContact OD1-CE 3.23Å
484	D	93	Very high	91.8	Very high	9 Å²	9	51.2 Å²	51.2	5%	0.048	25%	0.253	C	S	.	.	H	α-helix	trans	-63.5	-41.5	173.9	-59.6	-39	0	0	0	111.9	F97 Y476 R480 F481 K486 S487 M488	F97-D484 HydrophobicContact CD2-CB 3.69Å; F97-D484 HydrophobicContact CE1-CB 4.35Å; F97-D484 HydrophobicContact CE2-CB 3.49Å; F97-D484 VanDerWaalsContact CE2-CB 3.49Å; F97-D484 WeakPolarHBondContact CE2-OD1 3.19Å; F97-D484 HydrophobicContact CG-CB 4.21Å; F97-D484 HydrophobicContact CZ-CB 3.85Å; F97-D484 WeakPolarHBondContact CZ-OD1 3.48Å; Y476-D484 WeakPolarHBondContact CE1-OD2 3.31Å; Y476-D484 PolarHBondContact OH-OD2 2.9Å; R480-D484 VanDerWaalsContact O-CG 3.27Å; R480-D484 PolarHBondContact O-N 3.49Å; R480-D484 VanDerWaalsContact O-OD2 3.09Å; F481-D484 WeakPolarHBondContact CA-OD2 3.46Å; F481-D484 WeakPolarHBondContact O-CB 3.33Å; F481-D484 PolarHBondContact O-N 3.32Å; D484-K486 VanDerWaalsContact C-N 3.31Å; D484-K486 PolarHBondContact O-N 3.38Å; D484-S487 PolarHBondContact O-N 2.96Å; D484-S487 PolarHBondContact O-OG 2.86Å; D484-M488 WeakPolarHBondContact O-CG 3.5Å; D484-M488 PolarHBondContact O-N 3.1Å
485	M	93.4	Very high	91.3	Very high	7 Å²	7	54.6 Å²	54.6	3%	0.034	27%	0.265	C	S	.	.	H	α-helix	trans	-63.5	-38.8	171.3	-70.8	-176.1	76.2	0	0	111.4	L89 A93 F481 M488 Y489 F493	L89-M485 HydrophobicContact CD1-CE 4.37Å; L89-M485 HydrophobicContact CD2-CE 3.85Å; L89-M485 HydrophobicContact CG-CE 4.03Å; A93-M485 HydrophobicContact CB-CE 4.48Å; A93-M485 HydrophobicContact CB-CG 4.37Å; F481-M485 HydrophobicContact CD1-CG 4.37Å; F481-M485 HydrophobicContact CD1-SD 4.04Å; F481-M485 HydrophobicContact CE1-CG 4.19Å; F481-M485 HydrophobicContact CE1-SD 3.77Å; F481-M485 WeakPolarHBondContact O-CG 3.47Å; F481-M485 PolarHBondContact O-N 3.04Å; M485-M488 HydrophobicContact CG-CE 4.23Å; M485-M488 PolarHBondContact O-N 3.49Å; M485-Y489 HydrophobicContact CB-CD2 3.98Å; M485-Y489 HydrophobicContact CB-CE2 3.96Å; M485-Y489 HydrophobicContact CE-CD2 4.28Å; M485-Y489 HydrophobicContact CE-CE2 3.66Å; M485-Y489 HydrophobicContact CG-CE2 4.05Å; M485-Y489 WeakPolarHBondContact O-CD2 3.47Å; M485-Y489 PolarHBondContact O-N 2.96Å; M485-F493 HydrophobicContact CB-CD2 4.35Å; M485-F493 HydrophobicContact CE-CD2 3.81Å; M485-F493 HydrophobicContact CE-CE2 3.83Å
486	K	93.4	Very high	91.1	Very high	100 Å²	100	56 Å²	56	44%	0.435	27%	0.272	S	S	.	.	H	α-helix	trans	-63.9	-40.9	176.3	-173.3	-172.5	177.2	-171.3	0	111.7	A482 N483 D484 M488 G490 F491	A482-K486 WeakPolarHBondContact O-CB 3.31Å; A482-K486 PolarHBondContact O-N 3.3Å; N483-K486 CarbonylContact O-C 3.51Å; N483-K486 WeakPolarHBondContact O-CA 3.19Å; N483-K486 WeakPolarHBondContact O-CB 3.38Å; N483-K486 PolarHBondContact O-N 3.38Å; N483-K486 VanDerWaalsContact O-N 3.11Å; D484-K486 VanDerWaalsContact C-N 3.31Å; D484-K486 PolarHBondContact O-N 3.38Å; K486-M488 VanDerWaalsContact C-N 3.33Å; K486-G490 VanDerWaalsContact O-CA 3.24Å; K486-G490 WeakPolarHBondContact O-CA 3.3Å; K486-G490 PolarHBondContact O-N 2.99Å; K486-F491 WeakPolarHBondContact CA-O 3.41Å
487	S	93.1	Very high	90.7	Very high	33 Å²	33	55.9 Å²	55.9	23%	0.231	27%	0.273	C	S	.	.	H	α-helix	trans	-70.3	-29.5	177.4	62.2	0	0	0	0	112.5	Y312 H313 N483 D484	Y312-S487 WeakPolarHBondContact CE1-O 3.37Å; Y312-S487 PolarHBondContact OH-OG 2.68Å; H313-S487 PolarHBondContact CE1-O 3.01Å; H313-S487 VanDerWaalsContact CE1-O 3.26Å; H313-S487 PolarHBondContact ND1-O 3.31Å; N483-S487 PolarHBondContact O-N 2.85Å; N483-S487 PolarHBondContact O-OG 3.33Å; D484-S487 PolarHBondContact O-N 2.96Å; D484-S487 PolarHBondContact O-OG 2.86Å
488	M	94.2	Very high	90.6	Very high	1 Å²	1	56.2 Å²	56.2	1%	0.005	27%	0.272	C	S	.	.	H	α-helix	trans	-71.7	-56.6	171.5	-71.7	-170.3	-63.9	0	0	112.1	A93 Q96 F97 Y312 H313 D484 M485 K486	A93-M488 HydrophobicContact CB-CE 4.13Å; Q96-M488 HydrophobicContact CB-SD 4.05Å; Q96-M488 HydrophobicContact CG-SD 3.74Å; F97-M488 HydrophobicContact CB-CE 3.94Å; F97-M488 HydrophobicContact CB-SD 3.73Å; F97-M488 HydrophobicContact CD2-CG 4.49Å; F97-M488 HydrophobicContact CD2-SD 4.3Å; Y312-M488 HydrophobicContact CD1-CG 4.39Å; Y312-M488 HydrophobicContact CD2-CG 3.76Å; Y312-M488 HydrophobicContact CD2-SD 4.34Å; Y312-M488 HydrophobicContact CE1-CG 4.08Å; Y312-M488 HydrophobicContact CE2-CG 3.47Å; Y312-M488 VanDerWaalsContact CE2-CG 3.47Å; Y312-M488 HydrophobicContact CE2-SD 4.21Å; Y312-M488 HydrophobicContact CG-CG 4.27Å; Y312-M488 WeakPolarHBondContact O-CB 3.28Å; H313-M488 WeakPolarHBondContact CA-O 3.38Å; H313-M488 PolarHBondContact ND1-O 3.16Å; D484-M488 WeakPolarHBondContact O-CG 3.5Å; D484-M488 PolarHBondContact O-N 3.1Å; M485-M488 HydrophobicContact CG-CE 4.23Å; M485-M488 PolarHBondContact O-N 3.49Å; K486-M488 VanDerWaalsContact C-N 3.33Å
489	Y	94.1	Very high	90.6	Very high	23 Å²	23	57.1 Å²	57.1	9%	0.09	28%	0.28	C	S	.	.	H	α-helix	trans	-95.2	-15	-166.2	-51.5	-56.4	0	0	0	114.7	H314 S316 V317 M485 F491 F493	H314-Y489 WeakPolarHBondContact O-CE1 3.48Å; S316-Y489 WeakPolarHBondContact OG-CE1 3.37Å; S316-Y489 PolarHBondContact OG-OH 3.16Å; V317-Y489 HydrophobicContact CG2-CD1 4.16Å; V317-Y489 HydrophobicContact CG2-CD2 3.72Å; V317-Y489 HydrophobicContact CG2-CE1 4.06Å; V317-Y489 HydrophobicContact CG2-CE2 3.63Å; V317-Y489 HydrophobicContact CG2-CG 3.99Å; M485-Y489 HydrophobicContact CB-CD2 3.98Å; M485-Y489 HydrophobicContact CB-CE2 3.96Å; M485-Y489 HydrophobicContact CE-CD2 4.28Å; M485-Y489 HydrophobicContact CE-CE2 3.66Å; M485-Y489 HydrophobicContact CG-CE2 4.05Å; M485-Y489 WeakPolarHBondContact O-CD2 3.47Å; M485-Y489 PolarHBondContact O-N 2.96Å; Y489-F491 VanDerWaalsContact C-N 3.31Å; Y489-F491 VanDerWaalsContact CB-CE1 3.47Å; Y489-F491 HydrophobicContact CG-CE1 4.46Å; Y489-F491 WeakPolarHBondContact O-CD1 3.31Å; Y489-F491 WeakPolarHBondContact O-CE1 3.38Å; Y489-F491 PolarHBondContact O-N 3Å; Y489-F493 HydrophobicContact CD2-CE2 4Å
490	G	89.7	Confident	90.6	Very high	65 Å²	65	52.8 Å²	52.8	67%	0.67	26%	0.264	S	S	*	.	S	Bend	trans	84.5	-6	-178.5	0	0	0	0	0	114.9	K486	K486-G490 VanDerWaalsContact O-CA 3.24Å; K486-G490 WeakPolarHBondContact O-CA 3.3Å; K486-G490 PolarHBondContact O-N 2.99Å
491	F	89.3	Confident	90.7	Very high	83 Å²	83	50.2 Å²	50.2	36%	0.364	26%	0.255	S	S	.	.	S	Bend	trans	-128.2	151.1	178.1	56.6	-85.2	0	0	0	111.6	V317 K486 Y489 F493	V317-F491 HydrophobicContact CB-CZ 4.27Å; V317-F491 HydrophobicContact CG1-CZ 4.34Å; V317-F491 HydrophobicContact CG2-CZ 4.18Å; K486-F491 WeakPolarHBondContact CA-O 3.41Å; Y489-F491 VanDerWaalsContact C-N 3.31Å; Y489-F491 VanDerWaalsContact CB-CE1 3.47Å; Y489-F491 HydrophobicContact CG-CE1 4.46Å; Y489-F491 WeakPolarHBondContact O-CD1 3.31Å; Y489-F491 WeakPolarHBondContact O-CE1 3.38Å; Y489-F491 PolarHBondContact O-N 3Å; F491-F493 HydrophobicContact CD2-CD2 4.35Å; F491-F493 HydrophobicContact CD2-CE1 4.33Å; F491-F493 AromaticContact CD2-CE2 3.76Å; F491-F493 HydrophobicContact CD2-CE2 3.76Å; F491-F493 AromaticContact CD2-CZ 3.81Å; F491-F493 HydrophobicContact CD2-CZ 3.81Å; F491-F493 HydrophobicContact CE2-CD2 4.31Å; F491-F493 AromaticContact CE2-CE1 3.79Å; F491-F493 HydrophobicContact CE2-CE1 3.79Å; F491-F493 AromaticContact CE2-CE2 3.33Å; F491-F493 HydrophobicContact CE2-CE2 3.33Å; F491-F493 AromaticContact CE2-CZ 3.05Å; F491-F493 HydrophobicContact CE2-CZ 3.05Å; F491-F493 HydrophobicContact CZ-CE2 4.02Å; F491-F493 AromaticContact CZ-CZ 3.83Å; F491-F493 HydrophobicContact CZ-CZ 3.83Å
492	S	79.1	Confident	90.7	Very high	55 Å²	55	50.7 Å²	50.7	39%	0.385	26%	0.259	S	S	.	.			trans	-96.3	133.5	-172.6	-169.4	0	0	0	0	112.2	K494	S492-K494 VanDerWaalsContact OG-CG 3.26Å; S492-K494 WeakPolarHBondContact OG-CG 3.45Å; S492-K494 PolarHBondContact OG-N 3.42Å
493	F	80.4	Confident	90.8	Very high	35 Å²	35	55.2 Å²	55.2	15%	0.154	28%	0.282	C	S	.	.			trans	-102.4	14.5	172	-68.7	-81.7	0	0	0	113.2	V317 M485 Y489 F491 W495 L496 C497	V317-F493 HydrophobicContact CB-CZ 4.31Å; V317-F493 HydrophobicContact CG1-CE1 4.45Å; V317-F493 HydrophobicContact CG1-CZ 3.76Å; V317-F493 HydrophobicContact CG2-CE2 3.83Å; V317-F493 HydrophobicContact CG2-CZ 3.64Å; M485-F493 HydrophobicContact CB-CD2 4.35Å; M485-F493 HydrophobicContact CE-CD2 3.81Å; M485-F493 HydrophobicContact CE-CE2 3.83Å; Y489-F493 HydrophobicContact CD2-CE2 4Å; F491-F493 HydrophobicContact CD2-CD2 4.35Å; F491-F493 HydrophobicContact CD2-CE1 4.33Å; F491-F493 AromaticContact CD2-CE2 3.76Å; F491-F493 HydrophobicContact CD2-CE2 3.76Å; F491-F493 AromaticContact CD2-CZ 3.81Å; F491-F493 HydrophobicContact CD2-CZ 3.81Å; F491-F493 HydrophobicContact CE2-CD2 4.31Å; F491-F493 AromaticContact CE2-CE1 3.79Å; F491-F493 HydrophobicContact CE2-CE1 3.79Å; F491-F493 AromaticContact CE2-CE2 3.33Å; F491-F493 HydrophobicContact CE2-CE2 3.33Å; F491-F493 AromaticContact CE2-CZ 3.05Å; F491-F493 HydrophobicContact CE2-CZ 3.05Å; F491-F493 HydrophobicContact CZ-CE2 4.02Å; F491-F493 AromaticContact CZ-CZ 3.83Å; F491-F493 HydrophobicContact CZ-CZ 3.83Å; F493-W495 PolarHBondContact O-N 2.85Å; F493-W495 VanDerWaalsContact O-N 3.17Å; F493-L496 HydrophobicContact CD1-CD1 4.13Å; F493-L496 CarbonylContact O-C 3.33Å; F493-L496 WeakPolarHBondContact O-CA 3.35Å; F493-L496 WeakPolarHBondContact O-CB 3.2Å; F493-L496 PolarHBondContact O-N 3.49Å; F493-C497 WeakPolarHBondContact CB-SG 3.31Å; F493-C497 PolarHBondContact O-N 3.38Å
494	K	82	Confident	91	Very high	98 Å²	98	54.8 Å²	54.8	43%	0.426	28%	0.279	S	S	.	.	H	α-helix	trans	-38.6	-65.4	-164.1	-85.8	172.7	-177.2	-163.3	0	114.9	W478 A482 N483 S492 L496 C497 C498	W478-K494 HydrophobicContact CZ3-CB 4.32Å; W478-K494 WeakPolarHBondContact CZ3-O 3.47Å; A482-K494 HydrophobicContact CB-CG 4.26Å; N483-K494 VanDerWaalsContact OD1-CE 3.3Å; N483-K494 WeakPolarHBondContact OD1-CE 3.23Å; S492-K494 VanDerWaalsContact OG-CG 3.26Å; S492-K494 WeakPolarHBondContact OG-CG 3.45Å; S492-K494 PolarHBondContact OG-N 3.42Å; K494-L496 VanDerWaalsContact C-N 3.32Å; K494-L496 PolarHBondContact O-N 3.36Å; K494-C497 PolarHBondContact O-N 3.11Å; K494-C498 PolarHBondContact O-N 2.95Å
495	W	86.5	Confident	91.2	Very high	208 Å²	208	54.3 Å²	54.3	79%	0.788	28%	0.277	S	S	*	.	H	α-helix	trans	-63.3	-37.5	-178.8	-65.3	107.3	0	0	0	112.9	F493 C498 I499	F493-W495 PolarHBondContact O-N 2.85Å; F493-W495 VanDerWaalsContact O-N 3.17Å; W495-C498 PolarHBondContact O-N 3.44Å; W495-I499 WeakPolarHBondContact O-CB 3.38Å; W495-I499 WeakPolarHBondContact O-CD1 3.42Å; W495-I499 VanDerWaalsContact O-CG1 3.24Å; W495-I499 WeakPolarHBondContact O-CG1 3.19Å; W495-I499 PolarHBondContact O-N 3.42Å
496	L	90.1	Very high	91.5	Very high	94 Å²	94	54.2 Å²	54.2	49%	0.492	28%	0.276	S	S	.	.	H	α-helix	trans	-66.2	-44.8	177.1	-64.9	174.9	0	0	0	111.9	F493 K494 C498 I499 Y500	F493-L496 HydrophobicContact CD1-CD1 4.13Å; F493-L496 CarbonylContact O-C 3.33Å; F493-L496 WeakPolarHBondContact O-CA 3.35Å; F493-L496 WeakPolarHBondContact O-CB 3.2Å; F493-L496 PolarHBondContact O-N 3.49Å; K494-L496 VanDerWaalsContact C-N 3.32Å; K494-L496 PolarHBondContact O-N 3.36Å; L496-C498 VanDerWaalsContact C-N 3.32Å; L496-C498 PolarHBondContact O-N 3.37Å; L496-I499 PolarHBondContact O-N 3.33Å; L496-Y500 HydrophobicContact CD2-CE2 4.39Å; L496-Y500 WeakPolarHBondContact O-CB 3.31Å; L496-Y500 WeakPolarHBondContact O-CD2 3.33Å; L496-Y500 PolarHBondContact O-N 3.13Å
497	C	88.3	Confident	91.7	Very high	9 Å²	9	54.4 Å²	54.4	6%	0.061	28%	0.282	C	S	.	.	H	α-helix	trans	-58.9	-44	174.2	-75.2	0	0	0	0	111.2	W478 A482 F493 K494 L501	W478-C497 HydrophobicContact CE3-CB 4.45Å; A482-C497 HydrophobicContact CB-CB 3.83Å; F493-C497 WeakPolarHBondContact CB-SG 3.31Å; F493-C497 PolarHBondContact O-N 3.38Å; K494-C497 PolarHBondContact O-N 3.11Å; C497-L501 HydrophobicContact CB-CD1 4.33Å; C497-L501 WeakPolarHBondContact O-CB 3.38Å; C497-L501 WeakPolarHBondContact O-CG 3.32Å; C497-L501 PolarHBondContact O-N 3.29Å
498	C	92.2	Very high	91.9	Very high	26 Å²	26	54 Å²	54	18%	0.176	28%	0.276	C	S	.	.	H	α-helix	trans	-59.6	-52.8	176.1	-175.2	0	0	0	0	111.4	W478 K494 W495 L496 C502	W478-C498 HydrophobicContact CD2-CB 3.61Å; W478-C498 VanDerWaalsContact CE2-SG 3.55Å; W478-C498 HydrophobicContact CE3-CB 3.62Å; W478-C498 HydrophobicContact CG-CB 4.32Å; W478-C498 HydrophobicContact CH2-CB 3.75Å; W478-C498 HydrophobicContact CZ2-CB 3.73Å; W478-C498 HydrophobicContact CZ3-CB 3.72Å; K494-C498 PolarHBondContact O-N 2.95Å; W495-C498 PolarHBondContact O-N 3.44Å; L496-C498 VanDerWaalsContact C-N 3.32Å; L496-C498 PolarHBondContact O-N 3.37Å; C498-C502 WeakPolarHBondContact O-CB 3.5Å; C498-C502 PolarHBondContact O-N 2.88Å
499	I	94.5	Very high	92.1	Very high	70 Å²	70	54 Å²	54	36%	0.359	28%	0.276	S	S	.	.	I	π-helix	trans	-61.9	-49.1	-176.6	-69.9	166.4	0	0	0	110.9	W495 L496 I503 I504	W495-I499 WeakPolarHBondContact O-CB 3.38Å; W495-I499 WeakPolarHBondContact O-CD1 3.42Å; W495-I499 VanDerWaalsContact O-CG1 3.24Å; W495-I499 WeakPolarHBondContact O-CG1 3.19Å; W495-I499 PolarHBondContact O-N 3.42Å; L496-I499 PolarHBondContact O-N 3.33Å; I499-I503 WeakPolarHBondContact O-CB 3.38Å; I499-I503 PolarHBondContact O-N 3.2Å; I499-I504 HydrophobicContact CG2-CD1 3.37Å; I499-I504 HydrophobicContact CG2-CG1 3.76Å; I499-I504 PolarHBondContact O-N 3.28Å
500	Y	95.8	Very high	92.2	Very high	66 Å²	66	55.8 Å²	55.8	26%	0.259	29%	0.286	S	S	.	.	I	π-helix	trans	-74.2	-49.8	-177.3	-79.7	-79	0	0	0	112.5	I81 P86 L496 I504 T505 P506	I81-Y500 WeakPolarHBondContact O-CE1 3.49Å; P86-Y500 HydrophobicContact CB-CD1 3.97Å; P86-Y500 HydrophobicContact CB-CG 4.36Å; P86-Y500 HydrophobicContact CG-CD1 3.36Å; P86-Y500 HydrophobicContact CG-CE1 3.65Å; P86-Y500 HydrophobicContact CG-CG 4.1Å; L496-Y500 HydrophobicContact CD2-CE2 4.39Å; L496-Y500 WeakPolarHBondContact O-CB 3.31Å; L496-Y500 WeakPolarHBondContact O-CD2 3.33Å; L496-Y500 PolarHBondContact O-N 3.13Å; Y500-I504 HydrophobicContact CD1-CB 4.26Å; Y500-I504 HydrophobicContact CD1-CG2 4.13Å; Y500-I504 HydrophobicContact CE1-CG2 4.19Å; Y500-T505 WeakPolarHBondContact O-CB 3.42Å; Y500-T505 PolarHBondContact O-N 3.09Å; Y500-T505 PolarHBondContact O-OG1 3.35Å; Y500-P506 WeakPolarHBondContact O-CD 3.26Å
501	L	92.9	Very high	92.6	Very high	10 Å²	10	55.1 Å²	55.1	5%	0.052	27%	0.269	C	S	.	.	I	π-helix	trans	-76.3	-27.6	-172.7	-59.7	-179.3	0	0	0	114	L90 I472 F481 C497 P506	L90-L501 HydrophobicContact CB-CD2 4.47Å; L90-L501 HydrophobicContact CD1-CD2 3.4Å; L90-L501 VanDerWaalsContact CD1-CD2 3.4Å; I472-L501 HydrophobicContact CG2-CD1 4.26Å; F481-L501 HydrophobicContact CD1-CD1 3.64Å; F481-L501 HydrophobicContact CE1-CD1 4.12Å; C497-L501 HydrophobicContact CB-CD1 4.33Å; C497-L501 WeakPolarHBondContact O-CB 3.38Å; C497-L501 WeakPolarHBondContact O-CG 3.32Å; C497-L501 PolarHBondContact O-N 3.29Å; L501-P506 WeakPolarHBondContact O-CG 3.26Å
502	C	94.9	Very high	92.9	Very high	11 Å²	11	51.3 Å²	51.3	7%	0.074	25%	0.253	C	S	.	.	I	π-helix	trans	-101	-29	-178.1	-60.2	0	0	0	0	113.1	Y474 C498 P506	Y474-C502 HydrophobicContact CE1-CB 4.38Å; Y474-C502 HydrophobicContact CE2-CB 4.06Å; Y474-C502 PolarHBondContact OH-O 3.4Å; C498-C502 WeakPolarHBondContact O-CB 3.5Å; C498-C502 PolarHBondContact O-N 2.88Å; C502-P506 VanDerWaalsContact C-CG 3.49Å; C502-P506 WeakPolarHBondContact O-CG 3.33Å
503	I	95.7	Very high	93.7	Very high	96 Å²	96	51.8 Å²	51.8	49%	0.492	25%	0.248	S	C	.	.	I	π-helix	trans	-119.3	-72.8	-169.6	-54	173.5	0	0	0	110.9	I499 L507	I499-I503 WeakPolarHBondContact O-CB 3.38Å; I499-I503 PolarHBondContact O-N 3.2Å; I503-L507 WeakPolarHBondContact O-CB 3.4Å; I503-L507 PolarHBondContact O-N 2.83Å; I503-L507 VanDerWaalsContact O-N 3.11Å
504	I	98	Very high	94.5	Very high	51 Å²	51	53.8 Å²	53.8	26%	0.262	26%	0.26	S	S	.	.	I	π-helix	trans	-64.4	-57.7	-166.1	-66.9	-174.6	0	0	0	111.6	L82 I499 Y500 F508	L82-I504 HydrophobicContact CB-CG2 3.97Å; L82-I504 HydrophobicContact CD2-CG2 3.57Å; L82-I504 HydrophobicContact CG-CG2 4.22Å; I499-I504 HydrophobicContact CG2-CD1 3.37Å; I499-I504 HydrophobicContact CG2-CG1 3.76Å; I499-I504 PolarHBondContact O-N 3.28Å; Y500-I504 HydrophobicContact CD1-CB 4.26Å; Y500-I504 HydrophobicContact CD1-CG2 4.13Å; Y500-I504 HydrophobicContact CE1-CG2 4.19Å; I504-F508 WeakPolarHBondContact O-CB 3.45Å; I504-F508 PolarHBondContact O-N 2.88Å
505	T	98.1	Very high	95.1	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-66.3	-50.5	-174	-57.7	0	0	0	0	112.7	L82 P86 L87 Y500 L507 F508 T509	L82-T505 WeakPolarHBondContact O-CA 3.46Å; L82-T505 PolarHBondContact O-OG1 2.9Å; P86-T505 HydrophobicContact CB-CG2 4.44Å; P86-T505 WeakPolarHBondContact CB-OG1 3.3Å; L87-T505 HydrophobicContact CD1-CG2 4.03Å; L87-T505 HydrophobicContact CD2-CG2 3.73Å; L87-T505 HydrophobicContact CG-CG2 3.57Å; Y500-T505 WeakPolarHBondContact O-CB 3.42Å; Y500-T505 PolarHBondContact O-N 3.09Å; Y500-T505 PolarHBondContact O-OG1 3.35Å; T505-L507 VanDerWaalsContact C-N 3.34Å; T505-L507 PolarHBondContact O-N 3.29Å; T505-F508 PolarHBondContact O-N 3.2Å; T505-T509 WeakPolarHBondContact O-CB 3.35Å; T505-T509 PolarHBondContact O-N 2.94Å; T505-T509 PolarHBondContact O-OG1 3.35Å
506	P	98	Very high	95.4	Very high	4 Å²	4	41.6 Å²	41.6	3%	0.026	21%	0.212	C	C	.	.	H	α-helix	trans	-63.8	-38	178.4	24.3	-33.6	0	0	0	112.5	F466 C469 I470 Y500 L501 C502 L510	F466-P506 HydrophobicContact CD2-CB 4.22Å; F466-P506 WeakPolarHBondContact CD2-O 3.38Å; F466-P506 HydrophobicContact CE2-CB 4.17Å; C469-P506 HydrophobicContact CB-CB 3.85Å; C469-P506 HydrophobicContact CB-CG 4.34Å; I470-P506 HydrophobicContact CD1-CB 4.16Å; Y500-P506 WeakPolarHBondContact O-CD 3.26Å; L501-P506 WeakPolarHBondContact O-CG 3.26Å; C502-P506 VanDerWaalsContact C-CG 3.49Å; C502-P506 WeakPolarHBondContact O-CG 3.33Å; P506-L510 WeakPolarHBondContact O-CB 3.43Å; P506-L510 PolarHBondContact O-N 2.92Å
507	L	98.1	Very high	95.6	Very high	105 Å²	105	40.9 Å²	40.9	55%	0.55	21%	0.212	S	C	.	.	H	α-helix	trans	-66.3	-46.2	177.1	-178.6	63.2	0	0	0	111.4	I503 T505 L510 V511	I503-L507 WeakPolarHBondContact O-CB 3.4Å; I503-L507 PolarHBondContact O-N 2.83Å; I503-L507 VanDerWaalsContact O-N 3.11Å; T505-L507 VanDerWaalsContact C-N 3.34Å; T505-L507 PolarHBondContact O-N 3.29Å; L507-L510 PolarHBondContact O-N 3.34Å; L507-V511 WeakPolarHBondContact O-CG2 3.25Å; L507-V511 PolarHBondContact O-N 2.85Å
508	F	98.1	Very high	96	Very high	25 Å²	25	45.6 Å²	45.6	11%	0.11	24%	0.235	C	C	.	.	H	α-helix	trans	-64.4	-44.7	179.4	-173.6	-101	0	0	0	111.5	V78 S79 L82 A83 I504 T505 L510 V511 L512	V78-F508 HydrophobicContact CG1-CE2 4.09Å; V78-F508 HydrophobicContact CG1-CZ 4.26Å; S79-F508 WeakPolarHBondContact OG-CZ 3.37Å; L82-F508 HydrophobicContact CB-CB 4.29Å; L82-F508 HydrophobicContact CB-CD1 3.93Å; L82-F508 HydrophobicContact CB-CD2 4.24Å; L82-F508 HydrophobicContact CB-CE1 4.28Å; L82-F508 HydrophobicContact CB-CG 3.89Å; L82-F508 HydrophobicContact CD1-CD2 3.61Å; L82-F508 HydrophobicContact CD1-CE2 3.84Å; L82-F508 HydrophobicContact CD1-CG 4.1Å; L82-F508 HydrophobicContact CD1-CZ 4.48Å; A83-F508 HydrophobicContact CB-CD1 3.82Å; A83-F508 HydrophobicContact CB-CE1 4.15Å; I504-F508 WeakPolarHBondContact O-CB 3.45Å; I504-F508 PolarHBondContact O-N 2.88Å; T505-F508 PolarHBondContact O-N 3.2Å; F508-L510 VanDerWaalsContact C-N 3.32Å; F508-L510 PolarHBondContact O-N 3.46Å; F508-V511 PolarHBondContact O-N 3.11Å; F508-L512 HydrophobicContact CD1-CD1 3.82Å; F508-L512 HydrophobicContact CD1-CG 4.19Å; F508-L512 HydrophobicContact CE1-CD1 3.42Å; F508-L512 VanDerWaalsContact CE1-CD1 3.42Å; F508-L512 HydrophobicContact CE1-CD2 4.39Å; F508-L512 HydrophobicContact CE1-CG 3.91Å; F508-L512 HydrophobicContact CZ-CD1 4.11Å; F508-L512 HydrophobicContact CZ-CD2 4.26Å; F508-L512 HydrophobicContact CZ-CG 4.21Å; F508-L512 WeakPolarHBondContact O-CG 3.43Å; F508-L512 PolarHBondContact O-N 3.44Å
509	T	97.7	Very high	96	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-61.8	-39.3	174.7	-56.9	0	0	0	0	111.8	F293 L462 F466 T505 L512 F513	F293-T509 HydrophobicContact CE1-CG2 4.23Å; F293-T509 HydrophobicContact CZ-CG2 3.8Å; L462-T509 HydrophobicContact CD2-CG2 4.27Å; L462-T509 WeakPolarHBondContact O-CG2 3.08Å; F466-T509 HydrophobicContact CB-CG2 4.04Å; T505-T509 WeakPolarHBondContact O-CB 3.35Å; T505-T509 PolarHBondContact O-N 2.94Å; T505-T509 PolarHBondContact O-OG1 3.35Å; T509-L512 PolarHBondContact O-N 3.27Å; T509-F513 WeakPolarHBondContact O-CB 3.34Å; T509-F513 PolarHBondContact O-N 2.95Å
510	L	97.5	Very high	95.9	Very high	60 Å²	60	46.1 Å²	46.1	31%	0.314	23%	0.233	S	C	.	.	H	α-helix	trans	-64.5	-43.8	174.7	179.9	63.2	0	0	0	111.9	F466 P506 L507 F508 F513 I514	F466-L510 HydrophobicContact CD2-CB 4.02Å; F466-L510 HydrophobicContact CE2-CB 3.91Å; F466-L510 HydrophobicContact CE2-CD1 4.39Å; F466-L510 HydrophobicContact CE2-CD2 4.3Å; F466-L510 HydrophobicContact CE2-CG 4.43Å; F466-L510 HydrophobicContact CZ-CD1 4.45Å; P506-L510 WeakPolarHBondContact O-CB 3.43Å; P506-L510 PolarHBondContact O-N 2.92Å; L507-L510 PolarHBondContact O-N 3.34Å; F508-L510 VanDerWaalsContact C-N 3.32Å; F508-L510 PolarHBondContact O-N 3.46Å; L510-F513 WeakPolarHBondContact O-CB 3.4Å; L510-F513 PolarHBondContact O-N 2.96Å; L510-I514 HydrophobicContact CD1-CD1 4.27Å; L510-I514 HydrophobicContact CD1-CG1 4.47Å; L510-I514 HydrophobicContact CG-CD1 4.02Å; L510-I514 VanDerWaalsContact O-CG1 3.3Å; L510-I514 WeakPolarHBondContact O-CG1 3.29Å; L510-I514 PolarHBondContact O-N 2.92Å
511	V	97.5	Very high	95.6	Very high	52 Å²	52	50.2 Å²	50.2	32%	0.315	26%	0.255	S	S	.	.	H	α-helix	trans	-61.6	-44.8	175.3	169.3	0	0	0	0	110.6	L507 F508 F513 I514 F515	L507-V511 WeakPolarHBondContact O-CG2 3.25Å; L507-V511 PolarHBondContact O-N 2.85Å; F508-V511 PolarHBondContact O-N 3.11Å; V511-F513 VanDerWaalsContact C-N 3.31Å; V511-F513 PolarHBondContact O-N 3.29Å; V511-I514 PolarHBondContact O-N 3.21Å; V511-F515 HydrophobicContact CG1-CD1 4.33Å; V511-F515 HydrophobicContact CG1-CD2 4.25Å; V511-F515 HydrophobicContact CG1-CE1 4.07Å; V511-F515 HydrophobicContact CG1-CE2 3.98Å; V511-F515 HydrophobicContact CG1-CG 4.42Å; V511-F515 HydrophobicContact CG1-CZ 3.89Å; V511-F515 WeakPolarHBondContact O-CB 3.45Å; V511-F515 WeakPolarHBondContact O-CG 3.49Å; V511-F515 PolarHBondContact O-N 3.42Å
512	L	96.1	Very high	95.6	Very high	2 Å²	2	54.6 Å²	54.6	1%	0.01	28%	0.275	C	S	.	.	H	α-helix	trans	-60.9	-40.2	174.9	-73.5	-178	0	0	0	112.3	W285 F293 L462 F508 T509 S516	W285-L512 WeakPolarHBondContact O-CD2 3.47Å; F293-L512 HydrophobicContact CE2-CD1 3.88Å; L462-L512 HydrophobicContact CD1-CB 4.43Å; L462-L512 HydrophobicContact CD2-CB 4.38Å; F508-L512 HydrophobicContact CD1-CD1 3.82Å; F508-L512 HydrophobicContact CD1-CG 4.19Å; F508-L512 HydrophobicContact CE1-CD1 3.42Å; F508-L512 VanDerWaalsContact CE1-CD1 3.42Å; F508-L512 HydrophobicContact CE1-CD2 4.39Å; F508-L512 HydrophobicContact CE1-CG 3.91Å; F508-L512 HydrophobicContact CZ-CD1 4.11Å; F508-L512 HydrophobicContact CZ-CD2 4.26Å; F508-L512 HydrophobicContact CZ-CG 4.21Å; F508-L512 WeakPolarHBondContact O-CG 3.43Å; F508-L512 PolarHBondContact O-N 3.44Å; T509-L512 PolarHBondContact O-N 3.27Å; L512-S516 WeakPolarHBondContact O-CB 3.35Å; L512-S516 PolarHBondContact O-N 3.28Å
513	F	95.4	Very high	95.5	Very high	65 Å²	65	54.7 Å²	54.7	29%	0.285	28%	0.275	S	S	.	.	H	α-helix	trans	-62.2	-49.6	175	176.7	-106.3	0	0	0	111	L462 C463 T509 L510 V511 F515 S516 V517	L462-F513 HydrophobicContact CB-CB 4.17Å; L462-F513 HydrophobicContact CB-CD2 4.13Å; L462-F513 HydrophobicContact CD1-CB 4.42Å; C463-F513 HydrophobicContact CB-CE2 4.41Å; T509-F513 WeakPolarHBondContact O-CB 3.34Å; T509-F513 PolarHBondContact O-N 2.95Å; L510-F513 WeakPolarHBondContact O-CB 3.4Å; L510-F513 PolarHBondContact O-N 2.96Å; V511-F513 VanDerWaalsContact C-N 3.31Å; V511-F513 PolarHBondContact O-N 3.29Å; F513-F515 PolarHBondContact O-N 3.44Å; F513-S516 WeakPolarHBondContact O-CB 3.31Å; F513-S516 PolarHBondContact O-N 2.71Å; F513-S516 VanDerWaalsContact O-N 3.16Å; F513-S516 PolarHBondContact O-OG 2.7Å; F513-V517 HydrophobicContact CE1-CG2 4.11Å; F513-V517 HydrophobicContact CE2-CG2 4.09Å; F513-V517 HydrophobicContact CZ-CG2 3.87Å; F513-V517 WeakPolarHBondContact O-CG2 3.28Å; F513-V517 PolarHBondContact O-N 2.91Å
514	I	96.8	Very high	95.4	Very high	78 Å²	78	53.1 Å²	53.1	40%	0.4	27%	0.27	S	S	.	.	H	α-helix	trans	-58.4	-48.3	177.1	-68.8	166.1	0	0	0	110.6	L510 V511 S516 V517 I518	L510-I514 HydrophobicContact CD1-CD1 4.27Å; L510-I514 HydrophobicContact CD1-CG1 4.47Å; L510-I514 HydrophobicContact CG-CD1 4.02Å; L510-I514 VanDerWaalsContact O-CG1 3.3Å; L510-I514 WeakPolarHBondContact O-CG1 3.29Å; L510-I514 PolarHBondContact O-N 2.92Å; V511-I514 PolarHBondContact O-N 3.21Å; I514-S516 VanDerWaalsContact C-N 3.32Å; I514-S516 PolarHBondContact O-N 2.92Å; I514-V517 PolarHBondContact O-N 3.43Å; I514-V517 VanDerWaalsContact O-N 3.13Å; I514-I518 HydrophobicContact CG2-CD1 3.68Å; I514-I518 HydrophobicContact CG2-CG1 4.34Å; I514-I518 WeakPolarHBondContact O-CG1 3.47Å; I514-I518 PolarHBondContact O-N 3.28Å
515	F	95.6	Very high	95.1	Very high	48 Å²	48	51.7 Å²	51.7	21%	0.211	26%	0.261	C	S	.	.	H	α-helix	trans	-58.7	-45.2	176.1	-76.4	3.6	0	0	0	111.1	M282 W285 V511 F513 V517 I518 V519	M282-F515 HydrophobicContact CB-CD2 4.33Å; M282-F515 HydrophobicContact CB-CG 4.37Å; M282-F515 HydrophobicContact CG-CE1 4.33Å; M282-F515 HydrophobicContact CG-CE2 4.47Å; M282-F515 HydrophobicContact CG-CZ 4.3Å; M282-F515 HydrophobicContact SD-CD1 4.24Å; M282-F515 HydrophobicContact SD-CE1 4.1Å; W285-F515 HydrophobicContact CB-CD2 3.97Å; W285-F515 HydrophobicContact CB-CE2 4.08Å; V511-F515 HydrophobicContact CG1-CD1 4.33Å; V511-F515 HydrophobicContact CG1-CD2 4.25Å; V511-F515 HydrophobicContact CG1-CE1 4.07Å; V511-F515 HydrophobicContact CG1-CE2 3.98Å; V511-F515 HydrophobicContact CG1-CG 4.42Å; V511-F515 HydrophobicContact CG1-CZ 3.89Å; V511-F515 WeakPolarHBondContact O-CB 3.45Å; V511-F515 WeakPolarHBondContact O-CG 3.49Å; V511-F515 PolarHBondContact O-N 3.42Å; F513-F515 PolarHBondContact O-N 3.44Å; F515-V517 VanDerWaalsContact C-N 3.27Å; F515-V517 PolarHBondContact O-N 3.17Å; F515-I518 PolarHBondContact O-N 3.17Å; F515-V519 VanDerWaalsContact O-CG2 3.27Å; F515-V519 WeakPolarHBondContact O-CG2 3.46Å; F515-V519 PolarHBondContact O-N 2.97Å
516	S	93.2	Very high	94.6	Very high	1 Å²	1	56.2 Å²	56.2	1%	0.007	28%	0.283	C	S	.	.	H	α-helix	trans	-57.7	-42.3	176.9	84.7	0	0	0	0	111.2	S286 R459 L512 F513 I514 Y520	S286-S516 VanDerWaalsContact OG-CA 3.29Å; S286-S516 WeakPolarHBondContact OG-CA 3.46Å; S286-S516 WeakPolarHBondContact OG-CB 3.27Å; S286-S516 PolarHBondContact OG-N 3.38Å; R459-S516 PolarHBondContact NH1-O 3Å; L512-S516 WeakPolarHBondContact O-CB 3.35Å; L512-S516 PolarHBondContact O-N 3.28Å; F513-S516 WeakPolarHBondContact O-CB 3.31Å; F513-S516 PolarHBondContact O-N 2.71Å; F513-S516 VanDerWaalsContact O-N 3.16Å; F513-S516 PolarHBondContact O-OG 2.7Å; I514-S516 VanDerWaalsContact C-N 3.32Å; I514-S516 PolarHBondContact O-N 2.92Å; S516-Y520 PolarHBondContact O-N 3.31Å
517	V	93.8	Very high	94.1	Very high	80 Å²	80	56.9 Å²	56.9	49%	0.485	29%	0.285	S	S	.	.	H	α-helix	trans	-67.2	-41.5	178.3	172.8	0	0	0	0	111.5	F513 I514 F515 Y520	F513-V517 HydrophobicContact CE1-CG2 4.11Å; F513-V517 HydrophobicContact CE2-CG2 4.09Å; F513-V517 HydrophobicContact CZ-CG2 3.87Å; F513-V517 WeakPolarHBondContact O-CG2 3.28Å; F513-V517 PolarHBondContact O-N 2.91Å; I514-V517 PolarHBondContact O-N 3.43Å; I514-V517 VanDerWaalsContact O-N 3.13Å; F515-V517 VanDerWaalsContact C-N 3.27Å; F515-V517 PolarHBondContact O-N 3.17Å; V517-Y520 VanDerWaalsContact O-CB 3.26Å; V517-Y520 WeakPolarHBondContact O-CB 3.5Å; V517-Y520 PolarHBondContact O-N 2.97Å
518	I	95.6	Very high	93.1	Very high	108 Å²	108	53.2 Å²	53.2	55%	0.554	27%	0.271	S	S	*	.	H	α-helix	trans	-64.6	-43.8	178.9	-69.2	169.4	0	0	0	111.1	M282 I514 F515 Y520	M282-I518 HydrophobicContact SD-CG2 4.45Å; I514-I518 HydrophobicContact CG2-CD1 3.68Å; I514-I518 HydrophobicContact CG2-CG1 4.34Å; I514-I518 WeakPolarHBondContact O-CG1 3.47Å; I514-I518 PolarHBondContact O-N 3.28Å; F515-I518 PolarHBondContact O-N 3.17Å; I518-Y520 PolarHBondContact O-N 3.24Å
519	V	93.1	Very high	91.9	Very high	35 Å²	35	54.6 Å²	54.6	21%	0.212	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	19.1	-179.7	-49.8	0	0	0	0	112.5	M282 F515 E521	M282-V519 HydrophobicContact CB-CG1 4.1Å; F515-V519 VanDerWaalsContact O-CG2 3.27Å; F515-V519 WeakPolarHBondContact O-CG2 3.46Å; F515-V519 PolarHBondContact O-N 2.97Å; V519-E521 PolarHBondContact O-N 3.41Å
520	Y	91.5	Very high	91	Very high	72 Å²	72	58.5 Å²	58.5	28%	0.282	30%	0.298	S	S	.	.			trans	-64.3	126	176.3	170.4	-95.2	0	0	0	110.7	Y454 Y455 S516 V517 I518 W545	Y454-Y520 AromaticContact CE1-CE2 3.99Å; Y454-Y520 HydrophobicContact CE1-CE2 3.99Å; Y455-Y520 PolarHBondContact OH-OH 3.45Å; S516-Y520 PolarHBondContact O-N 3.31Å; V517-Y520 VanDerWaalsContact O-CB 3.26Å; V517-Y520 WeakPolarHBondContact O-CB 3.5Å; V517-Y520 PolarHBondContact O-N 2.97Å; I518-Y520 PolarHBondContact O-N 3.24Å; Y520-W545 HydrophobicContact CD2-CZ2 4.27Å; Y520-W545 HydrophobicContact CE2-CH2 4.32Å; Y520-W545 AromaticContact CE2-CZ2 3.62Å; Y520-W545 HydrophobicContact CE2-CZ2 3.62Å; Y520-W545 AromaticContact CZ-CZ2 3.79Å
521	E	91.1	Very high	89.8	Confident	152 Å²	152	61.3 Å²	61.3	71%	0.71	32%	0.319	S	S	*	.			trans	-117.1	145.7	168.6	-66.3	-177.2	167.7	0	0	109.6	Y454 V519	Y454-E521 PolarHBondContact OH-O 2.94Å; V519-E521 PolarHBondContact O-N 3.41Å
522	E	92	Very high	89.3	Confident	102 Å²	102	66.3 Å²	66.3	48%	0.477	34%	0.34	S	S	.	.			trans	-65.5	140.5	175.5	-170.6	169.8	-179.4	0	0	110	T524 V541	E522-T524 PolarHBondContact O-N 3.43Å; E522-V541 HydrophobicContact CG-CG2 4.45Å; E522-V541 WeakPolarHBondContact OE1-CG2 3.22Å
523	L	92.9	Very high	89	Confident	13 Å²	13	68.7 Å²	68.7	7%	0.068	36%	0.355	C	S	.	.			trans	-59.9	125.4	-177.9	176.3	63.5	0	0	0	110.4	Q450 L451 Y454 Y455 F536	Q450-L523 HydrophobicContact CB-CD2 4.34Å; L451-L523 HydrophobicContact CD1-CD2 4.24Å; Y454-L523 HydrophobicContact CD1-CB 3.93Å; Y454-L523 HydrophobicContact CD1-CD1 4.42Å; Y454-L523 HydrophobicContact CD2-CD1 3.87Å; Y454-L523 HydrophobicContact CE1-CB 4.16Å; Y454-L523 HydrophobicContact CG-CB 4.19Å; Y454-L523 HydrophobicContact CG-CD1 3.82Å; Y454-L523 HydrophobicContact CG-CD2 4.38Å; Y454-L523 HydrophobicContact CG-CG 4.34Å; Y455-L523 HydrophobicContact CE2-CB 4.41Å; Y455-L523 HydrophobicContact CE2-CD2 4.32Å; L523-F536 HydrophobicContact CB-CD2 4.37Å; L523-F536 HydrophobicContact CD2-CD1 4.36Å; L523-F536 HydrophobicContact CD2-CD2 4.06Å; L523-F536 HydrophobicContact CD2-CE1 4.06Å; L523-F536 HydrophobicContact CD2-CE2 3.74Å; L523-F536 HydrophobicContact CD2-CG 4.35Å; L523-F536 HydrophobicContact CD2-CZ 3.73Å; L523-F536 HydrophobicContact CG-CD2 3.83Å; L523-F536 HydrophobicContact CG-CE2 3.62Å; L523-F536 HydrophobicContact CG-CZ 4.14Å; L523-F536 VanDerWaalsContact O-CD2 3.28Å; L523-F536 WeakPolarHBondContact O-CD2 3.44Å
524	T	93.1	Very high	88.9	Confident	63 Å²	63	67.6 Å²	67.6	39%	0.387	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	153.2	169.4	65.9	0	0	0	0	110.1	E522 Y534	E522-T524 PolarHBondContact O-N 3.43Å; T524-Y534 WeakPolarHBondContact CA-O 3.3Å
525	Y	91.3	Very high	88.9	Confident	21 Å²	21	69.8 Å²	69.8	8%	0.082	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	119.4	174.6	177.2	-136.2	0	0	0	111.9	I200 M446 Y447 Q450 R527 Y534	I200-Y525 HydrophobicContact CD1-CE1 3.77Å; M446-Y525 HydrophobicContact CG-CE1 3.82Å; M446-Y525 HydrophobicContact CG-CE2 4.45Å; Y447-Y525 HydrophobicContact CD1-CD1 4.04Å; Y447-Y525 AromaticContact CE1-CD1 3.69Å; Y447-Y525 HydrophobicContact CE1-CD1 3.69Å; Y447-Y525 HydrophobicContact CE1-CE1 4.3Å; Q450-Y525 VanDerWaalsContact OE1-CG 3.32Å; Y525-R527 HydrophobicContact CD1-CG 3.85Å; Y525-R527 HydrophobicContact CE1-CG 3.48Å; Y525-R527 VanDerWaalsContact CE1-CG 3.48Å; Y525-Y534 PolarHBondContact N-O 3.01Å; Y525-Y534 WeakPolarHBondContact O-CB 3.25Å; Y525-Y534 PolarHBondContact O-N 3.46Å
526	M	87.9	Confident	88.9	Confident	95 Å²	95	68 Å²	68	47%	0.468	35%	0.35	S	S	.	.			trans	-85	124.5	171.5	-172.3	61.1	-176.6	0	0	110.3	K530 P531	M526-K530 VanDerWaalsContact CE-O 3.29Å; M526-K530 WeakPolarHBondContact CE-O 3.35Å; M526-P531 WeakPolarHBondContact CE-O 3.38Å
527	R	86.8	Confident	89.1	Confident	17 Å²	17	69.4 Å²	69.4	6%	0.064	36%	0.359	C	S	.	.			trans	-95.5	145.5	172.9	-76.2	-172.2	60.6	176	-6.9	110	E194 S201 Y525 V529 K530	E194-R527 WeakPolarHBondContact OE1-CA 3.26Å; E194-R527 WeakPolarHBondContact OE1-CB 3.28Å; E194-R527 IonicContact OE1-NE 3.27Å; E194-R527 IonicContact OE2-CZ 3Å; E194-R527 VanDerWaalsContact OE2-CZ 3.27Å; E194-R527 IonicContact OE2-NE 2.76Å; E194-R527 PolarHBondContact OE2-NE 3.38Å; E194-R527 IonicContact OE2-NH2 2.64Å; E194-R527 PolarHBondContact OE2-NH2 3.35Å; S201-R527 PolarHBondContact O-NH1 2.79Å; S201-R527 VanDerWaalsContact O-NH1 3.11Å; Y525-R527 HydrophobicContact CD1-CG 3.85Å; Y525-R527 HydrophobicContact CE1-CG 3.48Å; Y525-R527 VanDerWaalsContact CE1-CG 3.48Å; R527-V529 PolarHBondContact O-N 3.01Å; R527-K530 HydrophobicContact CB-CB 4.16Å; R527-K530 PolarHBondContact O-N 3.38Å
528	A	77.9	Confident	89.2	Confident	29 Å²	29	73.8 Å²	73.8	24%	0.24	37%	0.372	C	S	.	.	S	Bend	trans	-66.3	-30.8	178.1	0	0	0	0	0	112	E194 I366	E194-A528 PolarHBondContact OE1-N 3.07Å; I366-A528 HydrophobicContact CD1-CB 4.24Å
529	V	72.7	Confident	89.3	Confident	53 Å²	53	74.2 Å²	74.2	32%	0.321	37%	0.366	S	S	.	.	S	Bend	trans	-91.2	-18.4	-176.4	-177.1	0	0	0	0	112.9	T186 E194 R527	T186-V529 HydrophobicContact CG2-CB 4.15Å; T186-V529 HydrophobicContact CG2-CG1 4.08Å; T186-V529 HydrophobicContact CG2-CG2 3.88Å; E194-V529 VanDerWaalsContact OE2-CG2 3.26Å; E194-V529 WeakPolarHBondContact OE2-CG2 3.49Å; R527-V529 PolarHBondContact O-N 3.01Å
530	K	79.2	Confident	89.5	Confident	82 Å²	82	72.5 Å²	72.5	36%	0.357	36%	0.356	S	S	.	.			trans	-112.2	132.1	-178	-64.3	-168.6	179.6	-177.1	0	110.6	N202 M526 R527 E532	N202-K530 PolarHBondContact OD1-NZ 2.86Å; M526-K530 VanDerWaalsContact CE-O 3.29Å; M526-K530 WeakPolarHBondContact CE-O 3.35Å; R527-K530 HydrophobicContact CB-CB 4.16Å; R527-K530 PolarHBondContact O-N 3.38Å; K530-E532 VanDerWaalsContact C-N 3.34Å; K530-E532 PolarHBondContact O-N 2.59Å
531	P	72.7	Confident	89.7	Confident	119 Å²	119	69.9 Å²	69.9	77%	0.773	35%	0.347	S	S	*	.	S	Bend	trans	-73.2	-25.7	-176.9	28.6	-34.8	0	0	0	113.6	M526	M526-P531 WeakPolarHBondContact CE-O 3.38Å
532	E	86.1	Confident	89.9	Confident	158 Å²	158	67 Å²	67	74%	0.738	34%	0.336	S	S	*	.	S	Bend	trans	-98.6	140	-178.5	-68	-179.5	179.4	0	0	111.2	K530	K530-E532 VanDerWaalsContact C-N 3.34Å; K530-E532 PolarHBondContact O-N 2.59Å
533	P	90.3	Very high	90.1	Very high	52 Å²	52	66.2 Å²	66.2	34%	0.338	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-66	138.3	175.8	28.2	-33.7	0	0	0	110.7	H535	P533-H535 PolarHBondContact O-CD2 2.72Å; P533-H535 PolarHBondContact O-N 2.79Å
534	Y	93.8	Very high	90.1	Very high	42 Å²	42	65.6 Å²	65.6	17%	0.165	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	119.9	171.2	177.5	-97.2	0	0	0	109.9	G203 I204 Y447 T524 Y525 F536 P537	G203-Y534 WeakPolarHBondContact CA-OH 3.34Å; I204-Y534 WeakPolarHBondContact CG2-OH 3.29Å; I204-Y534 PolarHBondContact N-OH 3.34Å; Y447-Y534 AromaticContact CD1-CD1 3.6Å; Y447-Y534 HydrophobicContact CD1-CD1 3.6Å; Y447-Y534 AromaticContact CD1-CE1 3.66Å; Y447-Y534 HydrophobicContact CD1-CE1 3.66Å; Y447-Y534 HydrophobicContact CD1-CG 4.21Å; Y447-Y534 AromaticContact CE1-CD1 3.64Å; Y447-Y534 HydrophobicContact CE1-CD1 3.64Å; Y447-Y534 HydrophobicContact CE1-CD2 4.17Å; Y447-Y534 AromaticContact CE1-CE1 3.95Å; Y447-Y534 HydrophobicContact CE1-CE1 3.95Å; Y447-Y534 HydrophobicContact CE1-CE2 4.47Å; Y447-Y534 AromaticContact CE1-CG 3.74Å; Y447-Y534 HydrophobicContact CE1-CG 3.74Å; Y447-Y534 HydrophobicContact CG-CE1 4.43Å; T524-Y534 WeakPolarHBondContact CA-O 3.3Å; Y525-Y534 PolarHBondContact N-O 3.01Å; Y525-Y534 WeakPolarHBondContact O-CB 3.25Å; Y525-Y534 PolarHBondContact O-N 3.46Å; Y534-F536 AromaticContact CD1-CD2 3.91Å; Y534-F536 HydrophobicContact CD1-CD2 3.91Å; Y534-F536 AromaticContact CD1-CE2 3.9Å; Y534-F536 HydrophobicContact CD1-CE2 3.9Å; Y534-F536 HydrophobicContact CD1-CG 4.37Å; Y534-F536 HydrophobicContact CD1-CZ 4.34Å; Y534-F536 HydrophobicContact CE1-CD1 4.15Å; Y534-F536 HydrophobicContact CE1-CD2 4.03Å; Y534-F536 HydrophobicContact CE1-CE1 4.32Å; Y534-F536 HydrophobicContact CE1-CE2 4.21Å; Y534-F536 HydrophobicContact CE1-CG 4.02Å; Y534-F536 HydrophobicContact CE1-CZ 4.36Å; Y534-P537 WeakPolarHBondContact OH-CD 3.33Å
535	H	95.4	Very high	90.2	Very high	124 Å²	124	67.6 Å²	67.6	57%	0.574	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.8	127.7	172	-68.7	-81.3	0	0	0	110.4	P533	P533-H535 PolarHBondContact O-CD2 2.72Å; P533-H535 PolarHBondContact O-N 2.79Å
536	F	96.6	Very high	90.3	Very high	9 Å²	9	72.1 Å²	72.1	4%	0.039	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-71.6	138	-178.6	-80.2	-103.5	0	0	0	111	I204 Y447 Q450 L523 Y534 V541	I204-F536 HydrophobicContact CD1-CD1 4.46Å; I204-F536 HydrophobicContact CD1-CE1 4.39Å; Y447-F536 HydrophobicContact CD1-CZ 4.28Å; Y447-F536 WeakPolarHBondContact O-CE1 3.41Å; Q450-F536 HydrophobicContact CB-CZ 4.22Å; L523-F536 HydrophobicContact CB-CD2 4.37Å; L523-F536 HydrophobicContact CD2-CD1 4.36Å; L523-F536 HydrophobicContact CD2-CD2 4.06Å; L523-F536 HydrophobicContact CD2-CE1 4.06Å; L523-F536 HydrophobicContact CD2-CE2 3.74Å; L523-F536 HydrophobicContact CD2-CG 4.35Å; L523-F536 HydrophobicContact CD2-CZ 3.73Å; L523-F536 HydrophobicContact CG-CD2 3.83Å; L523-F536 HydrophobicContact CG-CE2 3.62Å; L523-F536 HydrophobicContact CG-CZ 4.14Å; L523-F536 VanDerWaalsContact O-CD2 3.28Å; L523-F536 WeakPolarHBondContact O-CD2 3.44Å; Y534-F536 AromaticContact CD1-CD2 3.91Å; Y534-F536 HydrophobicContact CD1-CD2 3.91Å; Y534-F536 AromaticContact CD1-CE2 3.9Å; Y534-F536 HydrophobicContact CD1-CE2 3.9Å; Y534-F536 HydrophobicContact CD1-CG 4.37Å; Y534-F536 HydrophobicContact CD1-CZ 4.34Å; Y534-F536 HydrophobicContact CE1-CD1 4.15Å; Y534-F536 HydrophobicContact CE1-CD2 4.03Å; Y534-F536 HydrophobicContact CE1-CE1 4.32Å; Y534-F536 HydrophobicContact CE1-CE2 4.21Å; Y534-F536 HydrophobicContact CE1-CG 4.02Å; Y534-F536 HydrophobicContact CE1-CZ 4.36Å; F536-V541 HydrophobicContact CB-CG2 3.99Å
537	P	97.2	Very high	90.6	Very high	31 Å²	31	68.8 Å²	68.8	20%	0.201	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-66.8	146.1	176.7	28.2	-35.1	0	0	0	110.5	I204 Y534 W539 S540 V541	I204-P537 HydrophobicContact CG2-CG 3.53Å; Y534-P537 WeakPolarHBondContact OH-CD 3.33Å; P537-W539 HydrophobicContact CB-CG 4.49Å; P537-W539 HydrophobicContact CG-CD2 4.45Å; P537-W539 HydrophobicContact CG-CZ2 4.16Å; P537-W539 VanDerWaalsContact CG-NE1 3.3Å; P537-W539 PolarHBondContact O-N 3.39Å; P537-S540 WeakPolarHBondContact CD-OG 3.31Å; P537-S540 WeakPolarHBondContact O-CB 3.28Å; P537-S540 PolarHBondContact O-N 3.05Å; P537-S540 PolarHBondContact O-OG 2.85Å; P537-V541 PolarHBondContact O-N 3.2Å
538	K	96.5	Very high	90.8	Very high	173 Å²	173	68.1 Å²	68.1	75%	0.752	34%	0.337	S	S	*	.	H	α-helix	trans	-50.3	-38.1	-175.3	-67.3	-176.8	178.5	-179.6	0	114	S540 V541 I542	K538-S540 VanDerWaalsContact C-N 3.28Å; K538-S540 PolarHBondContact O-N 3.04Å; K538-V541 PolarHBondContact O-N 3.28Å; K538-I542 VanDerWaalsContact O-CG1 3.29Å; K538-I542 WeakPolarHBondContact O-CG1 3.43Å; K538-I542 PolarHBondContact O-N 3.28Å
539	W	97.2	Very high	91.5	Very high	116 Å²	116	69.2 Å²	69.2	44%	0.439	34%	0.343	S	S	.	.	H	α-helix	trans	-60.7	-38.5	178.7	70.2	-104.2	0	0	0	111.9	I204 D205 P537 I542 L543	I204-W539 HydrophobicContact CD1-CH2 4.12Å; I204-W539 HydrophobicContact CG1-CH2 4.08Å; I204-W539 HydrophobicContact CG1-CZ2 4.49Å; I204-W539 HydrophobicContact CG2-CH2 4.03Å; I204-W539 HydrophobicContact CG2-CZ2 3.62Å; D205-W539 VanDerWaalsContact OD1-CE2 3.32Å; D205-W539 VanDerWaalsContact OD1-CZ2 3.22Å; D205-W539 WeakPolarHBondContact OD1-CZ2 3.27Å; D205-W539 PolarHBondContact OD1-NE1 2.96Å; P537-W539 HydrophobicContact CB-CG 4.49Å; P537-W539 HydrophobicContact CG-CD2 4.45Å; P537-W539 HydrophobicContact CG-CZ2 4.16Å; P537-W539 VanDerWaalsContact CG-NE1 3.3Å; P537-W539 PolarHBondContact O-N 3.39Å; W539-I542 PolarHBondContact O-N 3.34Å; W539-L543 HydrophobicContact CE3-CD1 3.54Å; W539-L543 HydrophobicContact CE3-CG 4.29Å; W539-L543 HydrophobicContact CZ3-CD1 3.43Å; W539-L543 VanDerWaalsContact CZ3-CD1 3.43Å; W539-L543 WeakPolarHBondContact O-CG 2.99Å; W539-L543 PolarHBondContact O-N 3.28Å
540	S	96.6	Very high	92.5	Very high	0 Å²	0	69 Å²	69	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-73.5	-35.4	-180	69.6	0	0	0	0	111.9	L451 P537 K538 L543 G544	L451-S540 WeakPolarHBondContact CD1-O 3.44Å; P537-S540 WeakPolarHBondContact CD-OG 3.31Å; P537-S540 WeakPolarHBondContact O-CB 3.28Å; P537-S540 PolarHBondContact O-N 3.05Å; P537-S540 PolarHBondContact O-OG 2.85Å; K538-S540 VanDerWaalsContact C-N 3.28Å; K538-S540 PolarHBondContact O-N 3.04Å; S540-L543 WeakPolarHBondContact O-CB 3.19Å; S540-L543 PolarHBondContact O-N 3.36Å; S540-G544 PolarHBondContact O-N 3.08Å
541	V	95.8	Very high	93.2	Very high	16 Å²	16	65.1 Å²	65.1	10%	0.097	33%	0.327	C	S	.	.	H	α-helix	trans	-63.9	-42.4	172.9	174.7	0	0	0	0	110.6	E522 F536 P537 K538 L543 G544 W545	E522-V541 HydrophobicContact CG-CG2 4.45Å; E522-V541 WeakPolarHBondContact OE1-CG2 3.22Å; F536-V541 HydrophobicContact CB-CG2 3.99Å; P537-V541 PolarHBondContact O-N 3.2Å; K538-V541 PolarHBondContact O-N 3.28Å; V541-L543 VanDerWaalsContact C-N 3.34Å; V541-L543 PolarHBondContact O-N 3.27Å; V541-G544 PolarHBondContact O-N 2.95Å; V541-W545 VanDerWaalsContact O-CD1 3.3Å; V541-W545 PolarHBondContact O-N 2.72Å
542	I	96.2	Very high	94.2	Very high	93 Å²	93	61.7 Å²	61.7	48%	0.477	30%	0.301	S	S	.	.	H	α-helix	trans	-59.8	-44.9	172.9	-67.9	164.5	0	0	0	110.6	K538 W539 G544 W545 M546	K538-I542 VanDerWaalsContact O-CG1 3.29Å; K538-I542 WeakPolarHBondContact O-CG1 3.43Å; K538-I542 PolarHBondContact O-N 3.28Å; W539-I542 PolarHBondContact O-N 3.34Å; I542-G544 VanDerWaalsContact C-N 3.3Å; I542-G544 PolarHBondContact O-N 3.11Å; I542-W545 PolarHBondContact O-N 2.94Å; I542-M546 HydrophobicContact CG2-CE 3.77Å; I542-M546 HydrophobicContact CG2-CG 4.31Å; I542-M546 HydrophobicContact CG2-SD 4.1Å; I542-M546 VanDerWaalsContact O-CG 3.32Å; I542-M546 WeakPolarHBondContact O-CG 3.24Å; I542-M546 PolarHBondContact O-N 3.02Å
543	L	94.9	Very high	94.7	Very high	85 Å²	85	59.5 Å²	59.5	45%	0.445	29%	0.294	S	S	.	.	H	α-helix	trans	-61	-38.9	175.3	-71.5	179.7	0	0	0	112.5	L451 W539 S540 V541 M546 M547	L451-L543 HydrophobicContact CD2-CB 4.48Å; W539-L543 HydrophobicContact CE3-CD1 3.54Å; W539-L543 HydrophobicContact CE3-CG 4.29Å; W539-L543 HydrophobicContact CZ3-CD1 3.43Å; W539-L543 VanDerWaalsContact CZ3-CD1 3.43Å; W539-L543 WeakPolarHBondContact O-CG 2.99Å; W539-L543 PolarHBondContact O-N 3.28Å; S540-L543 WeakPolarHBondContact O-CB 3.19Å; S540-L543 PolarHBondContact O-N 3.36Å; V541-L543 VanDerWaalsContact C-N 3.34Å; V541-L543 PolarHBondContact O-N 3.27Å; L543-M546 HydrophobicContact CD2-SD 4.17Å; L543-M546 PolarHBondContact O-N 3.37Å; L543-M547 WeakPolarHBondContact O-CB 3.4Å; L543-M547 PolarHBondContact O-N 2.91Å
544	G	94.8	Very high	95	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-57.1	-49.9	173	0	0	0	0	0	112	Y455 S540 V541 I542 M546 M547 A548	Y455-G544 WeakPolarHBondContact CB-O 3.4Å; S540-G544 PolarHBondContact O-N 3.08Å; V541-G544 PolarHBondContact O-N 2.95Å; I542-G544 VanDerWaalsContact C-N 3.3Å; I542-G544 PolarHBondContact O-N 3.11Å; G544-M546 PolarHBondContact O-N 3.36Å; G544-M547 WeakPolarHBondContact O-CB 3.46Å; G544-M547 PolarHBondContact O-N 2.88Å; G544-A548 PolarHBondContact O-N 2.87Å
545	W	93.8	Very high	95.2	Very high	105 Å²	105	59.1 Å²	59.1	40%	0.398	29%	0.289	S	S	.	.	H	α-helix	trans	-66.9	-33	176.1	-76.1	111.5	0	0	0	113.6	Y455 Y520 V541 I542 A548 S549	Y455-W545 HydrophobicContact CD1-CD2 4.34Å; Y455-W545 AromaticContact CE1-CD1 3.94Å; Y455-W545 AromaticContact CE1-CD2 3.96Å; Y455-W545 HydrophobicContact CE1-CD2 3.96Å; Y455-W545 AromaticContact CE1-CE2 3.72Å; Y455-W545 HydrophobicContact CE1-CG 4.13Å; Y455-W545 HydrophobicContact CE1-CZ2 4.22Å; Y455-W545 AromaticContact CE1-NE1 3.69Å; Y520-W545 HydrophobicContact CD2-CZ2 4.27Å; Y520-W545 HydrophobicContact CE2-CH2 4.32Å; Y520-W545 AromaticContact CE2-CZ2 3.62Å; Y520-W545 HydrophobicContact CE2-CZ2 3.62Å; Y520-W545 AromaticContact CZ-CZ2 3.79Å; V541-W545 VanDerWaalsContact O-CD1 3.3Å; V541-W545 PolarHBondContact O-N 2.72Å; I542-W545 PolarHBondContact O-N 2.94Å; W545-A548 HydrophobicContact CE3-CB 4.42Å; W545-A548 PolarHBondContact O-N 3.14Å; W545-S549 VanDerWaalsContact O-CB 3.24Å; W545-S549 WeakPolarHBondContact O-CB 3.46Å; W545-S549 PolarHBondContact O-N 3.45Å; W545-S549 PolarHBondContact O-OG 2.67Å
546	M	94.4	Very high	95.3	Very high	115 Å²	115	56.2 Å²	56.2	57%	0.567	28%	0.281	S	S	*	.	H	α-helix	trans	-64.3	-44.1	172.6	-75.1	179.1	169.1	0	0	111.2	I542 L543 G544 S549 S550	I542-M546 HydrophobicContact CG2-CE 3.77Å; I542-M546 HydrophobicContact CG2-CG 4.31Å; I542-M546 HydrophobicContact CG2-SD 4.1Å; I542-M546 VanDerWaalsContact O-CG 3.32Å; I542-M546 WeakPolarHBondContact O-CG 3.24Å; I542-M546 PolarHBondContact O-N 3.02Å; L543-M546 HydrophobicContact CD2-SD 4.17Å; L543-M546 PolarHBondContact O-N 3.37Å; G544-M546 PolarHBondContact O-N 3.36Å; M546-S549 PolarHBondContact O-N 3.34Å; M546-S550 WeakPolarHBondContact O-CB 3.46Å; M546-S550 PolarHBondContact O-N 3.47Å
547	M	93	Very high	95.4	Very high	25 Å²	25	57.4 Å²	57.4	12%	0.123	30%	0.296	C	S	.	.	H	α-helix	trans	-61.2	-47.1	174.2	177.9	170.5	58.2	0	0	111.5	L125 L451 F452 L543 G544 S549 S550	L125-M547 HydrophobicContact CD1-CG 3.82Å; L125-M547 HydrophobicContact CD1-SD 4.49Å; L125-M547 HydrophobicContact CD2-CG 4.47Å; L125-M547 HydrophobicContact CD2-SD 4.38Å; L451-M547 WeakPolarHBondContact O-CE 3.28Å; F452-M547 HydrophobicContact CD1-SD 3.8Å; F452-M547 HydrophobicContact CD2-CE 4.2Å; F452-M547 HydrophobicContact CD2-SD 4.09Å; F452-M547 HydrophobicContact CE1-SD 3.75Å; F452-M547 HydrophobicContact CE2-SD 4.04Å; F452-M547 HydrophobicContact CG-CE 4.18Å; F452-M547 HydrophobicContact CG-SD 3.98Å; F452-M547 HydrophobicContact CZ-SD 3.88Å; L543-M547 WeakPolarHBondContact O-CB 3.4Å; L543-M547 PolarHBondContact O-N 2.91Å; G544-M547 WeakPolarHBondContact O-CB 3.46Å; G544-M547 PolarHBondContact O-N 2.88Å; M547-S549 VanDerWaalsContact C-N 3.34Å; M547-S549 PolarHBondContact O-N 3.47Å; M547-S550 WeakPolarHBondContact O-CB 3.26Å; M547-S550 PolarHBondContact O-N 2.97Å; M547-S550 PolarHBondContact O-OG 3.14Å
548	A	91.4	Very high	95.4	Very high	3 Å²	3	58 Å²	58	3%	0.025	30%	0.297	C	S	.	.	H	α-helix	trans	-58.4	-45.4	174.9	0	0	0	0	0	111.9	Y455 I460 G544 W545 S550	Y455-A548 WeakPolarHBondContact O-CB 3.19Å; I460-A548 HydrophobicContact CD1-CB 3.9Å; I460-A548 HydrophobicContact CG1-CB 3.93Å; G544-A548 PolarHBondContact O-N 2.87Å; W545-A548 HydrophobicContact CE3-CB 4.42Å; W545-A548 PolarHBondContact O-N 3.14Å; A548-S550 PolarHBondContact O-N 3.24Å
549	S	93	Very high	95.5	Very high	53 Å²	53	52.1 Å²	52.1	37%	0.371	27%	0.272	S	S	.	.	H	α-helix	trans	-68.7	-32.7	-179.7	-58.2	0	0	0	0	112.9	W545 M546 M547 S551 L552 L553	W545-S549 VanDerWaalsContact O-CB 3.24Å; W545-S549 WeakPolarHBondContact O-CB 3.46Å; W545-S549 PolarHBondContact O-N 3.45Å; W545-S549 PolarHBondContact O-OG 2.67Å; M546-S549 PolarHBondContact O-N 3.34Å; M547-S549 VanDerWaalsContact C-N 3.34Å; M547-S549 PolarHBondContact O-N 3.47Å; S549-S551 PolarHBondContact O-N 2.89Å; S549-L552 PolarHBondContact O-N 3.41Å; S549-L552 VanDerWaalsContact O-N 3.12Å; S549-L553 WeakPolarHBondContact O-CB 3.02Å; S549-L553 VanDerWaalsContact O-CG 3.27Å; S549-L553 WeakPolarHBondContact O-CG 3.48Å; S549-L553 PolarHBondContact O-N 3.09Å
550	S	93.2	Very high	95.5	Very high	48 Å²	48	52.1 Å²	52.1	34%	0.336	28%	0.279	S	S	.	.	H	α-helix	trans	-55.9	-34.8	-179.7	74.6	0	0	0	0	112.8	M546 M547 A548 F554	M546-S550 WeakPolarHBondContact O-CB 3.46Å; M546-S550 PolarHBondContact O-N 3.47Å; M547-S550 WeakPolarHBondContact O-CB 3.26Å; M547-S550 PolarHBondContact O-N 2.97Å; M547-S550 PolarHBondContact O-OG 3.14Å; A548-S550 PolarHBondContact O-N 3.24Å; S550-F554 VanDerWaalsContact O-CD2 3.31Å; S550-F554 WeakPolarHBondContact O-CD2 3.35Å
551	S	94.5	Very high	95.5	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-75	-47.4	176.6	-62.8	0	0	0	0	111.2	A118 M121 S549 L553 F554	A118-S551 WeakPolarHBondContact CA-O 3.29Å; A118-S551 WeakPolarHBondContact CB-O 3.39Å; M121-S551 WeakPolarHBondContact CG-OG 3.19Å; S549-S551 PolarHBondContact O-N 2.89Å; S551-L553 VanDerWaalsContact C-N 3.34Å; S551-L553 PolarHBondContact O-N 2.69Å; S551-F554 PolarHBondContact O-N 3.08Å
552	L	94.2	Very high	95.6	Very high	47 Å²	47	55.3 Å²	55.3	25%	0.246	30%	0.296	C	S	.	.	H	α-helix	trans	-66.7	-33	-178.1	-71.6	-178.3	0	0	0	113.6	I460 C463 V464 S549 F554 I555 P556	I460-L552 HydrophobicContact CD1-CD1 3.62Å; I460-L552 HydrophobicContact CD1-CG 4.12Å; I460-L552 HydrophobicContact CG2-CD1 4.29Å; I460-L552 HydrophobicContact CG2-CD2 3.68Å; I460-L552 HydrophobicContact CG2-CG 3.67Å; C463-L552 HydrophobicContact CB-CD2 4.19Å; V464-L552 HydrophobicContact CG2-CD2 4Å; S549-L552 PolarHBondContact O-N 3.41Å; S549-L552 VanDerWaalsContact O-N 3.12Å; L552-F554 PolarHBondContact O-N 3.4Å; L552-F554 VanDerWaalsContact O-N 3.17Å; L552-I555 HydrophobicContact CD2-CD1 4.2Å; L552-I555 WeakPolarHBondContact O-CB 3.26Å; L552-I555 PolarHBondContact O-N 3Å; L552-P556 WeakPolarHBondContact O-CD 3.44Å
553	L	96	Very high	95.6	Very high	112 Å²	112	52 Å²	52	59%	0.586	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-20.2	-178.7	-75.5	172.7	0	0	0	113.2	S549 S551 I555 P556 G557	S549-L553 WeakPolarHBondContact O-CB 3.02Å; S549-L553 VanDerWaalsContact O-CG 3.27Å; S549-L553 WeakPolarHBondContact O-CG 3.48Å; S549-L553 PolarHBondContact O-N 3.09Å; S551-L553 VanDerWaalsContact C-N 3.34Å; S551-L553 PolarHBondContact O-N 2.69Å; L553-I555 PolarHBondContact O-N 3.17Å; L553-P556 WeakPolarHBondContact O-CD 3.45Å; L553-G557 WeakPolarHBondContact O-CA 3.26Å; L553-G557 PolarHBondContact O-N 3.35Å
554	F	97	Very high	95.7	Very high	72 Å²	72	54 Å²	54	32%	0.316	29%	0.289	S	S	.	.	H	α-helix	trans	-59.4	-33.2	170.8	-81.1	-76.2	0	0	0	112.4	G114 C117 A118 M121 S550 S551 L552 I558	G114-F554 WeakPolarHBondContact CA-O 3.48Å; C117-F554 HydrophobicContact CB-CB 3.8Å; C117-F554 HydrophobicContact CB-CD1 3.68Å; C117-F554 HydrophobicContact CB-CE1 4.4Å; C117-F554 HydrophobicContact CB-CG 3.77Å; A118-F554 HydrophobicContact CB-CB 4.48Å; M121-F554 HydrophobicContact CB-CD2 4.4Å; M121-F554 HydrophobicContact CB-CE2 4.08Å; M121-F554 HydrophobicContact CE-CE2 3.75Å; M121-F554 HydrophobicContact CE-CZ 3.97Å; M121-F554 HydrophobicContact CG-CE2 4.16Å; S550-F554 VanDerWaalsContact O-CD2 3.31Å; S550-F554 WeakPolarHBondContact O-CD2 3.35Å; S551-F554 PolarHBondContact O-N 3.08Å; L552-F554 PolarHBondContact O-N 3.4Å; L552-F554 VanDerWaalsContact O-N 3.17Å; F554-I558 HydrophobicContact CD1-CG1 4.38Å; F554-I558 WeakPolarHBondContact O-CB 3.46Å; F554-I558 WeakPolarHBondContact O-CG1 3.42Å; F554-I558 PolarHBondContact O-N 2.89Å
555	I	97.6	Very high	95.8	Very high	15 Å²	15	63.3 Å²	63.3	8%	0.077	32%	0.324	C	S	.	.	H	α-helix	trans	-64.4	-62.6	-177.1	-61.8	164	0	0	0	111.2	I115 A118 V464 L467 L552 L553 G557 M559	I115-I555 HydrophobicContact CG1-CD1 4.43Å; I115-I555 HydrophobicContact CG1-CG1 4.23Å; A118-I555 HydrophobicContact CB-CD1 4.16Å; A118-I555 HydrophobicContact CB-CG1 4.09Å; V464-I555 HydrophobicContact CG2-CD1 4.4Å; L467-I555 HydrophobicContact CD1-CD1 3.7Å; L467-I555 HydrophobicContact CD1-CG2 4.35Å; L552-I555 HydrophobicContact CD2-CD1 4.2Å; L552-I555 WeakPolarHBondContact O-CB 3.26Å; L552-I555 PolarHBondContact O-N 3Å; L553-I555 PolarHBondContact O-N 3.17Å; I555-G557 VanDerWaalsContact C-N 3.35Å; I555-G557 PolarHBondContact O-N 3.23Å; I555-M559 VanDerWaalsContact O-CB 3.3Å; I555-M559 WeakPolarHBondContact O-CB 2.97Å; I555-M559 PolarHBondContact O-N 3.24Å; I555-M559 VanDerWaalsContact O-N 3.14Å
556	P	97.6	Very high	95.8	Very high	62 Å²	62	58.9 Å²	58.9	40%	0.403	31%	0.309	S	S	.	.	H	α-helix	trans	-68.2	-33.5	176.8	28.3	-34.5	0	0	0	112.3	L552 L553 M559 M560	L552-P556 WeakPolarHBondContact O-CD 3.44Å; L553-P556 WeakPolarHBondContact O-CD 3.45Å; P556-M559 PolarHBondContact O-N 3.47Å; P556-M560 WeakPolarHBondContact O-CB 3.39Å; P556-M560 VanDerWaalsContact O-CG 3.29Å; P556-M560 WeakPolarHBondContact O-CG 3.5Å; P556-M560 PolarHBondContact O-N 2.96Å
557	G	97.9	Very high	95.9	Very high	34 Å²	34	58.5 Å²	58.5	35%	0.351	32%	0.315	S	S	.	.	H	α-helix	trans	-63.2	-46.8	-179.2	0	0	0	0	0	113.1	L553 I555 T561	L553-G557 WeakPolarHBondContact O-CA 3.26Å; L553-G557 PolarHBondContact O-N 3.35Å; I555-G557 VanDerWaalsContact C-N 3.35Å; I555-G557 PolarHBondContact O-N 3.23Å; G557-T561 WeakPolarHBondContact O-CB 3.21Å; G557-T561 PolarHBondContact O-N 2.85Å; G557-T561 PolarHBondContact O-OG1 3.2Å
558	I	97.6	Very high	96	Very high	44 Å²	44	59.3 Å²	59.3	23%	0.226	33%	0.329	C	S	.	.	H	α-helix	trans	-69.9	-40.9	176	-63.7	-63.6	0	0	0	110.6	R113 F554 M560 T561 E562	R113-I558 HydrophobicContact CB-CG2 3.98Å; F554-I558 HydrophobicContact CD1-CG1 4.38Å; F554-I558 WeakPolarHBondContact O-CB 3.46Å; F554-I558 WeakPolarHBondContact O-CG1 3.42Å; F554-I558 PolarHBondContact O-N 2.89Å; I558-M560 PolarHBondContact O-N 3.2Å; I558-T561 PolarHBondContact O-N 3.12Å; I558-T561 VanDerWaalsContact O-N 3.14Å; I558-E562 HydrophobicContact CG2-CG 4.05Å; I558-E562 WeakPolarHBondContact O-CB 3.4Å; I558-E562 WeakPolarHBondContact O-CG 3.36Å; I558-E562 PolarHBondContact O-N 3.07Å
559	M	98.1	Very high	96.2	Very high	49 Å²	49	63 Å²	63	24%	0.241	35%	0.352	C	S	.	.	H	α-helix	trans	-55.3	-49.1	175.6	-176.3	-173.9	-59.2	0	0	111.8	L111 F112 I555 P556 T561 E562 I563	L111-M559 HydrophobicContact CD1-CG 3.65Å; L111-M559 HydrophobicContact CG-CG 4.03Å; F112-M559 HydrophobicContact CD1-CE 3.88Å; F112-M559 HydrophobicContact CE1-CE 3.47Å; F112-M559 VanDerWaalsContact CE1-CE 3.47Å; F112-M559 HydrophobicContact CZ-CE 4.1Å; I555-M559 VanDerWaalsContact O-CB 3.3Å; I555-M559 WeakPolarHBondContact O-CB 2.97Å; I555-M559 PolarHBondContact O-N 3.24Å; I555-M559 VanDerWaalsContact O-N 3.14Å; P556-M559 PolarHBondContact O-N 3.47Å; M559-T561 PolarHBondContact O-N 3.04Å; M559-E562 PolarHBondContact O-N 2.8Å; M559-I563 HydrophobicContact CG-CD1 4.07Å; M559-I563 VanDerWaalsContact O-CG1 3.26Å; M559-I563 WeakPolarHBondContact O-CG1 3.31Å; M559-I563 PolarHBondContact O-N 3.41Å
560	M	97.8	Very high	96.3	Very high	116 Å²	116	66.9 Å²	66.9	57%	0.571	36%	0.362	S	S	*	.	H	α-helix	trans	-63	-42	176.5	-72.2	-64	-171.3	0	0	111.9	P556 I558 I563 I564	P556-M560 WeakPolarHBondContact O-CB 3.39Å; P556-M560 VanDerWaalsContact O-CG 3.29Å; P556-M560 WeakPolarHBondContact O-CG 3.5Å; P556-M560 PolarHBondContact O-N 2.96Å; I558-M560 PolarHBondContact O-N 3.2Å; M560-I563 PolarHBondContact O-N 3Å; M560-I564 WeakPolarHBondContact O-CB 3.29Å; M560-I564 WeakPolarHBondContact O-CD1 3.22Å; M560-I564 VanDerWaalsContact O-CG1 3.22Å; M560-I564 WeakPolarHBondContact O-CG1 3.46Å; M560-I564 PolarHBondContact O-N 2.96Å
561	T	97.4	Very high	96.4	Very high	50 Å²	50	71 Å²	71	31%	0.307	38%	0.379	S	S	.	.	H	α-helix	trans	-63.4	-44.5	179.7	-58.7	0	0	0	0	111.9	G557 I558 M559 I564 R565	G557-T561 WeakPolarHBondContact O-CB 3.21Å; G557-T561 PolarHBondContact O-N 2.85Å; G557-T561 PolarHBondContact O-OG1 3.2Å; I558-T561 PolarHBondContact O-N 3.12Å; I558-T561 VanDerWaalsContact O-N 3.14Å; M559-T561 PolarHBondContact O-N 3.04Å; T561-I564 PolarHBondContact O-N 3.04Å; T561-R565 HydrophobicContact CG2-CG 4.47Å; T561-R565 WeakPolarHBondContact O-CB 3.42Å; T561-R565 VanDerWaalsContact O-CG 3.3Å; T561-R565 WeakPolarHBondContact O-CG 3.38Å; T561-R565 PolarHBondContact O-N 2.68Å
562	E	96.2	Very high	96.5	Very high	33 Å²	33	76 Å²	76	15%	0.154	40%	0.402	C	S	.	.	H	α-helix	trans	-64.4	-42.3	177.2	-70.1	-75.2	174.9	0	0	111.1	R113 I558 M559 I564 R565 T566 L577	R113-E562 IonicContact NH1-OE1 2.63Å; R113-E562 PolarHBondContact NH1-OE1 2.59Å; R113-E562 VanDerWaalsContact NH1-OE1 3.1Å; I558-E562 HydrophobicContact CG2-CG 4.05Å; I558-E562 WeakPolarHBondContact O-CB 3.4Å; I558-E562 WeakPolarHBondContact O-CG 3.36Å; I558-E562 PolarHBondContact O-N 3.07Å; M559-E562 PolarHBondContact O-N 2.8Å; E562-I564 PolarHBondContact O-N 3.48Å; E562-R565 PolarHBondContact O-N 3.32Å; E562-T566 WeakPolarHBondContact O-CB 3.32Å; E562-T566 PolarHBondContact O-N 3.28Å; E562-T566 PolarHBondContact O-OG1 3.04Å; E562-L577 HydrophobicContact CB-CD1 3.92Å; E562-L577 HydrophobicContact CB-CD2 4Å
563	I	97.4	Very high	96.6	Very high	23 Å²	23	76.9 Å²	76.9	12%	0.118	40%	0.403	C	S	.	.	H	α-helix	trans	-63.2	-42.4	175.7	-68.2	167	0	0	0	111.6	L111 M559 M560 F570 R573 I574 L577	L111-I563 HydrophobicContact CD1-CD1 3.98Å; L111-I563 HydrophobicContact CD1-CG1 3.78Å; M559-I563 HydrophobicContact CG-CD1 4.07Å; M559-I563 VanDerWaalsContact O-CG1 3.26Å; M559-I563 WeakPolarHBondContact O-CG1 3.31Å; M559-I563 PolarHBondContact O-N 3.41Å; M560-I563 PolarHBondContact O-N 3Å; I563-F570 HydrophobicContact CG2-CD2 4.32Å; I563-F570 HydrophobicContact CG2-CE2 4.23Å; I563-R573 WeakPolarHBondContact O-CD 3.04Å; I563-R573 PolarHBondContact O-NH1 3.29Å; I563-I574 HydrophobicContact CD1-CD1 3.82Å; I563-I574 HydrophobicContact CG1-CD1 4Å; I563-L577 HydrophobicContact CG1-CD1 4.06Å
564	I	96.9	Very high	96.6	Very high	128 Å²	128	73.9 Å²	73.9	66%	0.656	39%	0.386	S	S	*	.	H	α-helix	trans	-68.4	-40.6	-178.8	-70.3	165.8	0	0	0	110.9	M560 T561 E562	M560-I564 WeakPolarHBondContact O-CB 3.29Å; M560-I564 WeakPolarHBondContact O-CD1 3.22Å; M560-I564 VanDerWaalsContact O-CG1 3.22Å; M560-I564 WeakPolarHBondContact O-CG1 3.46Å; M560-I564 PolarHBondContact O-N 2.96Å; T561-I564 PolarHBondContact O-N 3.04Å; E562-I564 PolarHBondContact O-N 3.48Å
565	R	95.8	Very high	96.5	Very high	195 Å²	195	77.5 Å²	77.5	74%	0.736	40%	0.402	S	S	*	.	H	α-helix	trans	-76.2	-24.6	-177.9	-71.7	179.4	177.6	175.4	-0.3	113.9	T561 E562	T561-R565 HydrophobicContact CG2-CG 4.47Å; T561-R565 WeakPolarHBondContact O-CB 3.42Å; T561-R565 VanDerWaalsContact O-CG 3.3Å; T561-R565 WeakPolarHBondContact O-CG 3.38Å; T561-R565 PolarHBondContact O-N 2.68Å; E562-R565 PolarHBondContact O-N 3.32Å
566	T	95.8	Very high	96.3	Very high	12 Å²	12	80 Å²	80	7%	0.074	41%	0.411	C	S	.	.	S	Bend	trans	-77.8	124.2	-178.9	-56.8	0	0	0	0	110.5	E562 R573 Y576	E562-T566 WeakPolarHBondContact O-CB 3.32Å; E562-T566 PolarHBondContact O-N 3.28Å; E562-T566 PolarHBondContact O-OG1 3.04Å; T566-R573 HydrophobicContact CG2-CB 4.07Å; T566-R573 HydrophobicContact CG2-CG 3.9Å; T566-R573 WeakPolarHBondContact O-CD 3.46Å; T566-R573 WeakPolarHBondContact O-CG 3.28Å; T566-R573 PolarHBondContact O-NE 3.11Å; T566-R573 PolarHBondContact O-NH1 2.59Å; T566-Y576 HydrophobicContact CG2-CD1 3.66Å; T566-Y576 HydrophobicContact CG2-CE1 4.26Å; T566-Y576 HydrophobicContact CG2-CG 4.42Å
567	P	95.5	Very high	96.3	Very high	108 Å²	108	77 Å²	77	70%	0.701	39%	0.392	S	S	*	.			trans	-73.1	160	176.7	30.4	-34.6	0	0	0	112.1
568	G	95.1	Very high	96.2	Very high	41 Å²	41	76.8 Å²	76.8	42%	0.423	39%	0.385	S	S	.	.	S	Bend	trans	109.5	-173.2	179.6	0	0	0	0	0	113.5	R573	G568-R573 VanDerWaalsContact O-CZ 3.29Å; G568-R573 PolarHBondContact O-NE 2.67Å; G568-R573 PolarHBondContact O-NH2 2.94Å
569	T	95.4	Very high	96	Very high	81 Å²	81	75.9 Å²	75.9	50%	0.497	38%	0.381	S	S	.	.			trans	-74.5	160.5	173.3	62.6	0	0	0	0	111.2	I571 E572 R573	T569-I571 VanDerWaalsContact C-N 3.28Å; T569-I571 PolarHBondContact O-N 3.26Å; T569-E572 WeakPolarHBondContact CB-OE2 3.14Å; T569-E572 PolarHBondContact N-OE2 2.82Å; T569-E572 PolarHBondContact O-N 3.49Å; T569-E572 VanDerWaalsContact O-N 3.11Å; T569-E572 VanDerWaalsContact OG1-CG 3.24Å; T569-E572 WeakPolarHBondContact OG1-CG 3.35Å; T569-E572 PolarHBondContact OG1-N 2.71Å; T569-E572 PolarHBondContact OG1-OE2 3.49Å; T569-R573 VanDerWaalsContact O-CG 3.26Å; T569-R573 WeakPolarHBondContact O-CG 3.06Å; T569-R573 PolarHBondContact O-N 3.46Å
570	F	95.3	Very high	95.7	Very high	135 Å²	135	73.8 Å²	73.8	59%	0.592	37%	0.371	S	S	*	.	H	α-helix	trans	-53	-44.2	-178.7	-179	-103.9	0	0	0	113	I563 R573 I574	I563-F570 HydrophobicContact CG2-CD2 4.32Å; I563-F570 HydrophobicContact CG2-CE2 4.23Å; F570-R573 PolarHBondContact O-N 2.92Å; F570-I574 HydrophobicContact CD1-CG1 4.36Å; F570-I574 HydrophobicContact CE1-CG1 3.97Å; F570-I574 HydrophobicContact CE2-CD1 4.2Å; F570-I574 HydrophobicContact CE2-CG1 4.14Å; F570-I574 HydrophobicContact CZ-CD1 4.04Å; F570-I574 HydrophobicContact CZ-CG1 3.85Å; F570-I574 WeakPolarHBondContact O-CG1 3.25Å; F570-I574 PolarHBondContact O-N 3.42Å
571	I	95.4	Very high	95.4	Very high	133 Å²	133	69.4 Å²	69.4	68%	0.682	35%	0.348	S	S	*	.	H	α-helix	trans	-66.7	-41.2	179.9	-61	175.8	0	0	0	111.3	T569 R573 I574 K575	T569-I571 VanDerWaalsContact C-N 3.28Å; T569-I571 PolarHBondContact O-N 3.26Å; I571-R573 VanDerWaalsContact C-N 3.33Å; I571-R573 PolarHBondContact O-N 3.37Å; I571-I574 PolarHBondContact O-N 3.46Å; I571-K575 WeakPolarHBondContact O-CB 3.32Å; I571-K575 PolarHBondContact O-N 3.02Å
572	E	95.5	Very high	94.9	Very high	106 Å²	106	67.4 Å²	67.4	50%	0.495	34%	0.336	S	S	.	.	H	α-helix	trans	-62.6	-41.9	176.3	-72.2	166.3	153	0	0	111.4	T569 K575 Y576	T569-E572 WeakPolarHBondContact CB-OE2 3.14Å; T569-E572 PolarHBondContact N-OE2 2.82Å; T569-E572 PolarHBondContact O-N 3.49Å; T569-E572 VanDerWaalsContact O-N 3.11Å; T569-E572 VanDerWaalsContact OG1-CG 3.24Å; T569-E572 WeakPolarHBondContact OG1-CG 3.35Å; T569-E572 PolarHBondContact OG1-N 2.71Å; T569-E572 PolarHBondContact OG1-OE2 3.49Å; E572-K575 PolarHBondContact O-N 3.44Å; E572-Y576 VanDerWaalsContact O-CB 3.23Å; E572-Y576 WeakPolarHBondContact O-CB 3.37Å; E572-Y576 PolarHBondContact O-N 2.81Å
573	R	96.7	Very high	94	Very high	66 Å²	66	68.1 Å²	68.1	25%	0.249	34%	0.343	C	S	.	.	H	α-helix	trans	-61.7	-48.5	176.8	-64	171.4	-166.7	-148.5	1.1	111.6	I563 T566 G568 T569 F570 I571 Y576 L577	I563-R573 WeakPolarHBondContact O-CD 3.04Å; I563-R573 PolarHBondContact O-NH1 3.29Å; T566-R573 HydrophobicContact CG2-CB 4.07Å; T566-R573 HydrophobicContact CG2-CG 3.9Å; T566-R573 WeakPolarHBondContact O-CD 3.46Å; T566-R573 WeakPolarHBondContact O-CG 3.28Å; T566-R573 PolarHBondContact O-NE 3.11Å; T566-R573 PolarHBondContact O-NH1 2.59Å; G568-R573 VanDerWaalsContact O-CZ 3.29Å; G568-R573 PolarHBondContact O-NE 2.67Å; G568-R573 PolarHBondContact O-NH2 2.94Å; T569-R573 VanDerWaalsContact O-CG 3.26Å; T569-R573 WeakPolarHBondContact O-CG 3.06Å; T569-R573 PolarHBondContact O-N 3.46Å; F570-R573 PolarHBondContact O-N 2.92Å; I571-R573 VanDerWaalsContact C-N 3.33Å; I571-R573 PolarHBondContact O-N 3.37Å; R573-Y576 PolarHBondContact O-N 2.71Å; R573-L577 WeakPolarHBondContact O-CB 3.15Å; R573-L577 VanDerWaalsContact O-CG 3.26Å; R573-L577 WeakPolarHBondContact O-CG 3.32Å; R573-L577 PolarHBondContact O-N 2.96Å
574	I	96.4	Very high	92.7	Very high	48 Å²	48	73.3 Å²	73.3	25%	0.246	37%	0.366	C	S	.	.	H	α-helix	trans	-62.3	-46.7	178.4	-65.4	-62.5	0	0	0	110.6	L111 I563 F570 I571 Y576 L577 C578	L111-I574 HydrophobicContact CD1-CD1 4.25Å; L111-I574 HydrophobicContact CD2-CD1 4.05Å; I563-I574 HydrophobicContact CD1-CD1 3.82Å; I563-I574 HydrophobicContact CG1-CD1 4Å; F570-I574 HydrophobicContact CD1-CG1 4.36Å; F570-I574 HydrophobicContact CE1-CG1 3.97Å; F570-I574 HydrophobicContact CE2-CD1 4.2Å; F570-I574 HydrophobicContact CE2-CG1 4.14Å; F570-I574 HydrophobicContact CZ-CD1 4.04Å; F570-I574 HydrophobicContact CZ-CG1 3.85Å; F570-I574 WeakPolarHBondContact O-CG1 3.25Å; F570-I574 PolarHBondContact O-N 3.42Å; I571-I574 PolarHBondContact O-N 3.46Å; I574-Y576 VanDerWaalsContact C-N 3.3Å; I574-Y576 PolarHBondContact O-N 3.27Å; I574-L577 PolarHBondContact O-N 2.89Å; I574-C578 WeakPolarHBondContact O-CB 3.09Å; I574-C578 PolarHBondContact O-N 3.23Å; I574-C578 PolarHBondContact O-SG 3.38Å; I574-C578 VanDerWaalsContact O-SG 3.35Å
575	K	94.3	Very high	91.5	Very high	148 Å²	148	72.8 Å²	72.8	64%	0.643	36%	0.361	S	S	*	.	H	α-helix	trans	-60.2	-42.5	178.4	-172.2	176.6	-178.7	179.1	0	111.7	I571 E572 T579	I571-K575 WeakPolarHBondContact O-CB 3.32Å; I571-K575 PolarHBondContact O-N 3.02Å; E572-K575 PolarHBondContact O-N 3.44Å; K575-T579 PolarHBondContact O-N 3.43Å; K575-T579 PolarHBondContact O-OG1 2.97Å
576	Y	94.9	Very high	90.6	Very high	67 Å²	67	64.3 Å²	64.3	26%	0.263	33%	0.329	S	S	.	.	H	α-helix	trans	-63.5	-47.9	176.6	-179.1	-104.9	0	0	0	112.2	T566 E572 R573 I574 C578 T579 D622	T566-Y576 HydrophobicContact CG2-CD1 3.66Å; T566-Y576 HydrophobicContact CG2-CE1 4.26Å; T566-Y576 HydrophobicContact CG2-CG 4.42Å; E572-Y576 VanDerWaalsContact O-CB 3.23Å; E572-Y576 WeakPolarHBondContact O-CB 3.37Å; E572-Y576 PolarHBondContact O-N 2.81Å; R573-Y576 PolarHBondContact O-N 2.71Å; I574-Y576 VanDerWaalsContact C-N 3.3Å; I574-Y576 PolarHBondContact O-N 3.27Å; Y576-C578 VanDerWaalsContact C-N 3.27Å; Y576-C578 PolarHBondContact O-N 3.12Å; Y576-T579 WeakPolarHBondContact O-CB 3.09Å; Y576-T579 PolarHBondContact O-N 2.85Å; Y576-T579 VanDerWaalsContact O-N 3.08Å; Y576-D622 VanDerWaalsContact OH-CG 3.25Å; Y576-D622 PolarHBondContact OH-OD1 3.04Å; Y576-D622 PolarHBondContact OH-OD2 3.42Å
577	L	96.8	Very high	89.5	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-73.1	-15.6	-178.5	-67.6	170	0	0	0	113.9	C109 P110 L111 E562 I563 R573 I574	C109-L577 CarbonylContact C-O 3.35Å; P110-L577 HydrophobicContact CB-CD2 4.19Å; P110-L577 WeakPolarHBondContact CD-O 3.46Å; L111-L577 HydrophobicContact CB-CB 3.82Å; L111-L577 HydrophobicContact CD1-CB 4.13Å; L111-L577 HydrophobicContact CD1-CD1 3.87Å; L111-L577 HydrophobicContact CG-CB 4.49Å; L111-L577 PolarHBondContact N-O 2.89Å; E562-L577 HydrophobicContact CB-CD1 3.92Å; E562-L577 HydrophobicContact CB-CD2 4Å; I563-L577 HydrophobicContact CG1-CD1 4.06Å; R573-L577 WeakPolarHBondContact O-CB 3.15Å; R573-L577 VanDerWaalsContact O-CG 3.26Å; R573-L577 WeakPolarHBondContact O-CG 3.32Å; R573-L577 PolarHBondContact O-N 2.96Å; I574-L577 PolarHBondContact O-N 2.89Å
578	C	95.7	Very high	88.2	Confident	30 Å²	30	61 Å²	61	20%	0.203	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	0.3	169.9	-66.1	0	0	0	0	113.3	I475 I574 Y576	I475-C578 HydrophobicContact CG2-CB 4.27Å; I574-C578 WeakPolarHBondContact O-CB 3.09Å; I574-C578 PolarHBondContact O-N 3.23Å; I574-C578 PolarHBondContact O-SG 3.38Å; I574-C578 VanDerWaalsContact O-SG 3.35Å; Y576-C578 VanDerWaalsContact C-N 3.27Å; Y576-C578 PolarHBondContact O-N 3.12Å
579	T	92.8	Very high	87.2	Confident	25 Å²	25	61.6 Å²	61.6	15%	0.153	30%	0.302	C	S	.	.	S	Bend	trans	-89.9	132.6	176.8	-58.8	0	0	0	0	109.9	P110 K575 Y576 T617	P110-T579 VanDerWaalsContact CD-O 3.32Å; P110-T579 WeakPolarHBondContact CD-O 3.28Å; K575-T579 PolarHBondContact O-N 3.43Å; K575-T579 PolarHBondContact O-OG1 2.97Å; Y576-T579 WeakPolarHBondContact O-CB 3.09Å; Y576-T579 PolarHBondContact O-N 2.85Å; Y576-T579 VanDerWaalsContact O-N 3.08Å; T579-T617 HydrophobicContact CG2-CG2 4.34Å
580	P	93	Very high	85.8	Confident	5 Å²	5	59.1 Å²	59.1	3%	0.032	29%	0.286	C	S	.	.			trans	-67.9	135.7	-179.1	27.4	-35.9	0	0	0	112.6	D107 I108 Y476 L582 T617	D107-P580 CarbonylContact O-C 3.37Å; D107-P580 WeakPolarHBondContact O-CA 3.41Å; I108-P580 WeakPolarHBondContact O-CA 3.03Å; I108-P580 WeakPolarHBondContact O-CB 3.36Å; Y476-P580 HydrophobicContact CE2-CB 3.95Å; Y476-P580 HydrophobicContact CE2-CG 4.01Å; P580-L582 HydrophobicContact CB-CD2 4.39Å; P580-L582 HydrophobicContact CB-CG 4.19Å; P580-T617 PolarHBondContact O-OG1 2.85Å
581	R	90.7	Very high	84.2	Confident	23 Å²	23	54.6 Å²	54.6	9%	0.087	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	96.8	171.3	-60.5	179.4	-173.9	155.1	3.1	109	D107 P110 D622	D107-R581 HydrophobicContact CB-CB 4.25Å; D107-R581 PolarHBondContact O-N 2.97Å; P110-R581 HydrophobicContact CG-CG 4.01Å; R581-D622 WeakPolarHBondContact CD-OD2 3.23Å; R581-D622 IonicContact CZ-OD2 3.83Å; R581-D622 IonicContact NE-OD2 3.22Å; R581-D622 PolarHBondContact NE-OD2 2.76Å
582	L	87.4	Confident	82.1	Confident	9 Å²	9	52.7 Å²	52.7	5%	0.047	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	149.3	-177.3	-59.5	-177.6	0	0	0	110.1	F97 M98 P580 R586 T617 T618	F97-L582 HydrophobicContact CE1-CD1 4.35Å; F97-L582 HydrophobicContact CE1-CD2 3.96Å; F97-L582 HydrophobicContact CZ-CD1 4.18Å; M98-L582 HydrophobicContact CE-CD2 3.75Å; M98-L582 HydrophobicContact SD-CD2 3.51Å; M98-L582 VanDerWaalsContact SD-CD2 3.51Å; P580-L582 HydrophobicContact CB-CD2 4.39Å; P580-L582 HydrophobicContact CB-CG 4.19Å; L582-R586 HydrophobicContact CB-CB 4.29Å; L582-T617 PolarHBondContact N-O 3.41Å; L582-T618 WeakPolarHBondContact O-CA 3.18Å
583	T	78	Confident	79.9	Confident	48 Å²	48	54 Å²	54	29%	0.294	28%	0.28	S	S	.	.			trans	-68.5	152.3	170.8	61.9	0	0	0	0	109.9	H585 R586 C587	T583-H585 VanDerWaalsContact C-N 3.25Å; T583-H585 PolarHBondContact O-N 3.07Å; T583-R586 WeakPolarHBondContact O-CA 3.45Å; T583-R586 WeakPolarHBondContact O-CB 3.32Å; T583-R586 PolarHBondContact O-N 3.34Å; T583-R586 VanDerWaalsContact OG1-CG 3.31Å; T583-R586 WeakPolarHBondContact OG1-CG 3.45Å; T583-C587 PolarHBondContact O-N 3.43Å
584	Q	69	Low	77.2	Confident	131 Å²	131	56.3 Å²	56.3	61%	0.612	30%	0.297	S	S	*	.	H	α-helix	trans	-55.3	-41	-178.1	-172	-179.1	5.8	0	0	112.4	R586 C587 S588 T618	Q584-R586 VanDerWaalsContact C-N 3.29Å; Q584-R586 PolarHBondContact O-N 2.84Å; Q584-C587 PolarHBondContact O-N 2.96Å; Q584-S588 PolarHBondContact O-N 2.74Å; Q584-T618 HydrophobicContact CB-CG2 4.28Å
585	H	72.2	Confident	74.4	Confident	118 Å²	118	59.4 Å²	59.4	55%	0.546	31%	0.313	S	S	.	.	H	α-helix	trans	-61.4	-34.4	174.6	-175.1	-45.2	0	0	0	112.5	T583 S588 L589	T583-H585 VanDerWaalsContact C-N 3.25Å; T583-H585 PolarHBondContact O-N 3.07Å; H585-S588 PolarHBondContact O-OG 2.89Å; H585-L589 VanDerWaalsContact CE1-CD1 3.4Å; H585-L589 WeakPolarHBondContact CE1-CD1 3.45Å; H585-L589 WeakPolarHBondContact ND1-CD1 2.96Å; H585-L589 WeakPolarHBondContact O-CG 2.98Å; H585-L589 PolarHBondContact O-N 2.99Å
586	R	77.1	Confident	71.5	Confident	17 Å²	17	59 Å²	59	6%	0.064	32%	0.318	C	S	.	.	H	α-helix	trans	-72.6	-38.2	176.3	-70.8	-58.4	-166	-149.1	12.7	111.5	Q96 F97 L582 T583 Q584 S588 L589 T590	Q96-R586 PolarHBondContact O-NH2 3.22Å; F97-R586 WeakPolarHBondContact O-CD 2.96Å; F97-R586 PolarHBondContact O-NE 2.84Å; F97-R586 PolarHBondContact O-NH2 3.09Å; L582-R586 HydrophobicContact CB-CB 4.29Å; T583-R586 WeakPolarHBondContact O-CA 3.45Å; T583-R586 WeakPolarHBondContact O-CB 3.32Å; T583-R586 PolarHBondContact O-N 3.34Å; T583-R586 VanDerWaalsContact OG1-CG 3.31Å; T583-R586 WeakPolarHBondContact OG1-CG 3.45Å; Q584-R586 VanDerWaalsContact C-N 3.29Å; Q584-R586 PolarHBondContact O-N 2.84Å; R586-S588 VanDerWaalsContact C-N 3.33Å; R586-S588 PolarHBondContact O-N 2.7Å; R586-L589 PolarHBondContact O-N 2.9Å; R586-T590 PolarHBondContact O-N 3.28Å; R586-T590 PolarHBondContact O-OG1 3.49Å
587	C	71.6	Confident	68.6	Low	8 Å²	8	61 Å²	61	5%	0.054	34%	0.339	C	S	.	.	H	α-helix	trans	-62.9	-36.2	173.4	-66.5	0	0	0	0	112.7	T583 Q584 T590 N591 C616	T583-C587 PolarHBondContact O-N 3.43Å; Q584-C587 PolarHBondContact O-N 2.96Å; C587-T590 PolarHBondContact O-OG1 2.62Å; C587-T590 VanDerWaalsContact O-OG1 3.14Å; C587-N591 WeakPolarHBondContact O-CB 3.46Å; C587-N591 PolarHBondContact O-N 3.22Å; C587-N591 VanDerWaalsContact O-N 3.08Å; C587-C616 HydrophobicContact CB-CB 4Å; C587-C616 WeakPolarHBondContact CB-SG 3.23Å; C587-C616 WeakPolarHBondContact SG-CB 3.41Å; C587-C616 CovalentContact SG-SG 2.06Å; C587-C616 PolarHBondContact SG-SG 3.21Å
588	S	69.7	Low	65.5	Low	42 Å²	42	69.9 Å²	69.9	29%	0.294	38%	0.38	S	S	.	.	H	α-helix	trans	-72.4	-32.6	176.7	64.9	0	0	0	0	113.3	Q584 H585 R586 T590 N591	Q584-S588 PolarHBondContact O-N 2.74Å; H585-S588 PolarHBondContact O-OG 2.89Å; R586-S588 VanDerWaalsContact C-N 3.33Å; R586-S588 PolarHBondContact O-N 2.7Å; S588-T590 VanDerWaalsContact C-N 3.34Å; S588-N591 CarbonylContact O-C 3.35Å; S588-N591 VanDerWaalsContact O-O 3.1Å
589	L	72.6	Confident	62.5	Low	54 Å²	54	76.3 Å²	76.3	28%	0.283	41%	0.413	S	S	.	.	H	α-helix	trans	-70.6	-28.9	175.1	-74.5	171.8	0	0	0	113.2	Y312 H585 R586	Y312-L589 HydrophobicContact CD1-CD1 3.73Å; Y312-L589 HydrophobicContact CD1-CD2 4.4Å; Y312-L589 HydrophobicContact CD1-CG 4.49Å; Y312-L589 HydrophobicContact CD2-CD1 4.15Å; Y312-L589 HydrophobicContact CE1-CB 4Å; Y312-L589 HydrophobicContact CE1-CD1 3.91Å; Y312-L589 HydrophobicContact CE1-CD2 4.49Å; Y312-L589 HydrophobicContact CE1-CG 4.38Å; Y312-L589 HydrophobicContact CE2-CD1 4.25Å; Y312-L589 HydrophobicContact CG-CD1 3.84Å; H585-L589 VanDerWaalsContact CE1-CD1 3.4Å; H585-L589 WeakPolarHBondContact CE1-CD1 3.45Å; H585-L589 WeakPolarHBondContact ND1-CD1 2.96Å; H585-L589 WeakPolarHBondContact O-CG 2.98Å; H585-L589 PolarHBondContact O-N 2.99Å; R586-L589 PolarHBondContact O-N 2.9Å
590	T	66.1	Low	59.4	Low	28 Å²	28	79.3 Å²	79.3	17%	0.172	44%	0.435	C	S	.	.	H	α-helix	trans	-86.9	-22.2	176.7	54.2	0	0	0	0	112.8	F97 R586 C587 S588	F97-T590 HydrophobicContact CE2-CG2 3.78Å; F97-T590 HydrophobicContact CZ-CG2 4.05Å; R586-T590 PolarHBondContact O-N 3.28Å; R586-T590 PolarHBondContact O-OG1 3.49Å; C587-T590 PolarHBondContact O-OG1 2.62Å; C587-T590 VanDerWaalsContact O-OG1 3.14Å; S588-T590 VanDerWaalsContact C-N 3.34Å
591	N	62.6	Low	56.3	Low	41 Å²	41	88.1 Å²	88.1	22%	0.219	48%	0.475	C	S	.	.			trans	-122.3	88.8	176.4	-71.7	-19	0	0	0	111.3	C587 S588 T593 L594	C587-N591 WeakPolarHBondContact O-CB 3.46Å; C587-N591 PolarHBondContact O-N 3.22Å; C587-N591 VanDerWaalsContact O-N 3.08Å; S588-N591 CarbonylContact O-C 3.35Å; S588-N591 VanDerWaalsContact O-O 3.1Å; N591-T593 PolarHBondContact O-N 2.7Å; N591-T593 VanDerWaalsContact O-N 3.09Å; N591-L594 HydrophobicContact CB-CD1 3.9Å; N591-L594 HydrophobicContact CB-CG 4.3Å; N591-L594 PolarHBondContact O-N 3.48Å; N591-L594 VanDerWaalsContact O-N 3.14Å
592	P	50.9	Low	53.3	Low	93 Å²	93	94.8 Å²	94.8	60%	0.604	51%	0.511	S	S	*	.	G	3₁₀ helix	trans	-63.7	-15.5	-179.9	22.6	-31.5	0	0	0	114.2	L594 I595	P592-L594 PolarHBondContact O-N 3.31Å; P592-I595 PolarHBondContact O-N 3.49Å
593	T	49.4	Very low	50.5	Low	133 Å²	133	99.8 Å²	99.8	82%	0.816	54%	0.544	S	S	*	.	G	3₁₀ helix	trans	-72.5	-9.9	175.2	48.7	0	0	0	0	114.5	N591	N591-T593 PolarHBondContact O-N 2.7Å; N591-T593 VanDerWaalsContact O-N 3.09Å
594	L	41	Very low	48.2	Very low	114 Å²	114	106.7 Å²	106.7	60%	0.597	57%	0.573	S	S	*	*	G	3₁₀ helix	trans	-89.7	-0.7	174.7	-73.2	169.6	0	0	0	113.4	N591 P592 D596	N591-L594 HydrophobicContact CB-CD1 3.9Å; N591-L594 HydrophobicContact CB-CG 4.3Å; N591-L594 PolarHBondContact O-N 3.48Å; N591-L594 VanDerWaalsContact O-N 3.14Å; P592-L594 PolarHBondContact O-N 3.31Å; L594-D596 PolarHBondContact O-N 2.04Å
595	I	35.7	Very low	46.2	Very low	114 Å²	114	108.1 Å²	108.1	59%	0.585	59%	0.585	S	S	*	*	S	Bend	trans	-77.4	121.1	171.4	-56.6	171	0	0	0	106.2	P592	P592-I595 PolarHBondContact O-N 3.49Å
596	D	33.4	Very low	44	Very low	140 Å²	140	108.3 Å²	108.3	75%	0.749	59%	0.59	S	S	*	*			trans	-42.1	124.3	-178.3	-84.1	-46.3	0	0	0	111.1	L594 E598	L594-D596 PolarHBondContact O-N 2.04Å; D596-E598 PolarHBondContact O-N 2.82Å
597	P	34	Very low	41.7	Very low	109 Å²	109	112.8 Å²	112.8	71%	0.708	62%	0.621	S	S	*	*	G	3₁₀ helix	trans	-71.1	10.5	-170.7	27.9	-35.4	0	0	0	114.3	N599	P597-N599 PolarHBondContact O-N 2.91Å
598	E	33.6	Very low	39.6	Very low	185 Å²	185	118.8 Å²	118.8	86%	0.864	65%	0.653	S	S	*	*	G	3₁₀ helix	trans	-70.7	3	-179.8	-111.7	-177	-178.2	0	0	114	D596	D596-E598 PolarHBondContact O-N 2.82Å
599	N	31.2	Very low	37.4	Very low	165 Å²	165	124.4 Å²	124.4	88%	0.882	68%	0.68	S	S	*	*	G	3₁₀ helix	trans	-146.7	24.8	-179	-114.9	-13.5	0	0	0	118	P597	P597-N599 PolarHBondContact O-N 2.91Å
600	S	28	Very low	35.2	Very low	88 Å²	88	129.1 Å²	129.1	62%	0.615	70%	0.7	S	S	*	*			trans	-134.5	116.3	171.7	63.2	0	0	0	0	113.3
601	E	28.9	Very low	33.3	Very low	190 Å²	190	133.8 Å²	133.8	89%	0.888	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-54.5	138.7	163.9	-70.6	176.1	158	0	0	110.8	P603	E601-P603 WeakPolarHBondContact O-CD 3.49Å
602	I	26.9	Very low	31.6	Very low	163 Å²	163	138.6 Å²	138.6	84%	0.836	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-64.9	124.2	-170.2	-58.7	157.8	0	0	0	111.3
603	P	29.4	Very low	30.7	Very low	115 Å²	115	140.7 Å²	140.7	75%	0.747	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-94.2	137.2	156.4	0.8	19.9	0	0	0	110.1	E601	E601-P603 WeakPolarHBondContact O-CD 3.49Å
604	E	30.2	Very low	30.3	Very low	192 Å²	192	137.4 Å²	137.4	90%	0.897	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-54.2	132.9	-177.6	-69.4	174.2	144.1	0	0	113.8	N606	E604-N606 PolarHBondContact O-N 3.45Å
605	N	26.8	Very low	30.6	Very low	161 Å²	161	134.9 Å²	134.9	86%	0.861	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-58.9	124.7	175.7	-108	-19.8	0	0	0	111.9
606	N	25.8	Very low	31.1	Very low	123 Å²	123	131.3 Å²	131.3	66%	0.658	71%	0.71	S	S	*	*			trans	-98.6	113.4	160.7	-170.9	-5.8	0	0	0	108.8	E604 N608	E604-N606 PolarHBondContact O-N 3.45Å; N606-N608 PolarHBondContact O-N 2.74Å
607	P	28	Very low	32.1	Very low	110 Å²	110	126 Å²	126	71%	0.714	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.8	19.7	-167.3	30.4	-34.3	0	0	0	115.7
608	N	26.5	Very low	32.9	Very low	134 Å²	134	122.1 Å²	122.1	72%	0.717	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.6	9.6	-175.8	-81.2	-21	0	0	0	115.7	N606 H610	N606-N608 PolarHBondContact O-N 2.74Å; N608-H610 PolarHBondContact O-N 3.39Å
609	D	25.3	Very low	33.7	Very low	161 Å²	161	117.1 Å²	117.1	86%	0.861	63%	0.633	S	S	*	*			trans	-97.3	80.6	177.4	-137.8	4.7	0	0	0	110.8	D611	D609-D611 PolarHBondContact O-N 3.09Å
610	H	25.4	Very low	34.3	Very low	152 Å²	152	114.3 Å²	114.3	70%	0.704	62%	0.615	S	S	*	*			trans	-72.2	109.6	173.2	-87.5	-71.7	0	0	0	111.1	N608	N608-H610 PolarHBondContact O-N 3.39Å
611	D	26	Very low	35.1	Very low	126 Å²	126	114.9 Å²	114.9	67%	0.674	61%	0.608	S	S	*	*			trans	55.5	65.2	134.8	-54.9	-47.9	0	0	0	118.4	D609	D609-D611 PolarHBondContact O-N 3.09Å
612	E	27.6	Very low	35.8	Very low	143 Å²	143	107.2 Å²	107.2	67%	0.668	57%	0.573	S	S	*	*			trans	-108.4	88.7	145.7	-89.7	-173.8	175.6	0	0	108.9	N614	E612-N614 VanDerWaalsContact C-N 3.29Å; E612-N614 PolarHBondContact O-N 3.26Å
613	V	32.6	Very low	36.3	Very low	136 Å²	136	104.9 Å²	104.9	82%	0.824	56%	0.561	S	S	*	*			trans	-66	93.7	167.5	-179.6	0	0	0	0	107.5	S615	V613-S615 PolarHBondContact O-N 2.97Å; V613-S615 VanDerWaalsContact O-N 3.07Å
614	N	39.6	Very low	36.4	Very low	64 Å²	64	106.4 Å²	106.4	34%	0.342	56%	0.558	S	S	.	*			trans	-62.1	109	177.2	-113.4	-15.8	0	0	0	109.3	E612 C616	E612-N614 VanDerWaalsContact C-N 3.29Å; E612-N614 PolarHBondContact O-N 3.26Å; N614-C616 VanDerWaalsContact C-N 3.31Å; N614-C616 PolarHBondContact O-N 3.02Å
615	S	47	Very low	36.7	Very low	61 Å²	61	103.9 Å²	103.9	43%	0.427	54%	0.544	S	S	.	.			trans	-74.7	83	174.7	61.3	0	0	0	0	109.8	V613 T617	V613-S615 PolarHBondContact O-N 2.97Å; V613-S615 VanDerWaalsContact O-N 3.07Å; S615-T617 PolarHBondContact O-N 3.23Å
616	C	47.8	Very low	36.9	Very low	40 Å²	40	102.9 Å²	102.9	27%	0.27	54%	0.539	S	S	.	.			trans	-83.9	104.4	170.6	-127.8	0	0	0	0	108	C587 N614	C587-C616 HydrophobicContact CB-CB 4Å; C587-C616 WeakPolarHBondContact CB-SG 3.23Å; C587-C616 WeakPolarHBondContact SG-CB 3.41Å; C587-C616 CovalentContact SG-SG 2.06Å; C587-C616 PolarHBondContact SG-SG 3.21Å; N614-C616 VanDerWaalsContact C-N 3.31Å; N614-C616 PolarHBondContact O-N 3.02Å
617	T	53.3	Low	37.1	Very low	28 Å²	28	103.9 Å²	103.9	17%	0.172	54%	0.544	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	124	167	45.6	0	0	0	0	108.9	T579 P580 L582 S615	T579-T617 HydrophobicContact CG2-CG2 4.34Å; P580-T617 PolarHBondContact O-OG1 2.85Å; L582-T617 PolarHBondContact N-O 3.41Å; S615-T617 PolarHBondContact O-N 3.23Å
618	T	51.9	Low	37	Very low	28 Å²	28	102.4 Å²	102.4	17%	0.172	54%	0.536	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	148.3	175.2	56.2	0	0	0	0	110.4	L582 Q584 E620 Q621	L582-T618 WeakPolarHBondContact O-CA 3.18Å; Q584-T618 HydrophobicContact CB-CG2 4.28Å; T618-E620 PolarHBondContact O-N 3.16Å; T618-Q621 PolarHBondContact O-N 2.69Å
619	E	49.6	Very low	36.9	Very low	80 Å²	80	99.2 Å²	99.2	37%	0.374	54%	0.536	S	S	.	.	H	α-helix	trans	-55.3	-25.5	177.5	-69.4	178.8	160.1	0	0	113.4	K100	K100-E619 WeakPolarHBondContact CE-OE1 3.4Å; K100-E619 IonicContact NZ-OE1 2.67Å; K100-E619 PolarHBondContact NZ-OE1 2.88Å
620	E	44.3	Very low	36.9	Very low	105 Å²	105	100.8 Å²	100.8	49%	0.491	54%	0.535	S	S	.	.	H	α-helix	trans	-69.7	-35.1	-179.8	-67	178.4	161.2	0	0	113.5	T618 D622 I623	T618-E620 PolarHBondContact O-N 3.16Å; E620-D622 PolarHBondContact O-N 2.88Å; E620-I623 PolarHBondContact O-N 3.49Å
621	Q	44.9	Very low	37	Very low	100 Å²	100	100.1 Å²	100.1	47%	0.467	54%	0.542	S	S	.	.	H	α-helix	trans	-66.8	-22.2	-179.7	-71.6	-176.7	-3.5	0	0	112.9	T618 K625	T618-Q621 PolarHBondContact O-N 2.69Å; Q621-K625 PolarHBondContact O-N 3.29Å
622	D	42.6	Very low	36.9	Very low	29 Å²	29	98.2 Å²	98.2	16%	0.155	55%	0.551	C	S	.	*	H	α-helix	trans	-76.6	-32.6	178.3	-77.6	8.2	0	0	0	111.9	Y576 R581 E620 N626	Y576-D622 VanDerWaalsContact OH-CG 3.25Å; Y576-D622 PolarHBondContact OH-OD1 3.04Å; Y576-D622 PolarHBondContact OH-OD2 3.42Å; R581-D622 WeakPolarHBondContact CD-OD2 3.23Å; R581-D622 IonicContact CZ-OD2 3.83Å; R581-D622 IonicContact NE-OD2 3.22Å; R581-D622 PolarHBondContact NE-OD2 2.76Å; E620-D622 PolarHBondContact O-N 2.88Å; D622-N626 PolarHBondContact O-N 2.85Å
623	I	36.8	Very low	36.9	Very low	114 Å²	114	100.6 Å²	100.6	59%	0.585	56%	0.56	S	S	*	*	H	α-helix	trans	-70.5	-40.3	178.8	-59.5	178.2	0	0	0	110.1	E620 N627	E620-I623 PolarHBondContact O-N 3.49Å; I623-N627 PolarHBondContact O-N 2.87Å
624	E	33.4	Very low	36.4	Very low	148 Å²	148	102.4 Å²	102.4	69%	0.692	57%	0.565	S	S	*	*	H	α-helix	trans	-67.8	-41.2	178.4	-74.4	-170.1	156	0	0	112.4	N626 N627 S628	E624-N626 VanDerWaalsContact C-N 3.31Å; E624-N626 PolarHBondContact O-N 3.31Å; E624-N627 PolarHBondContact O-N 3.25Å; E624-N627 VanDerWaalsContact O-N 3.16Å; E624-S628 PolarHBondContact O-N 2.78Å; E624-S628 PolarHBondContact O-OG 3.15Å
625	K	35.4	Very low	35.6	Very low	138 Å²	138	107 Å²	107	60%	0.6	59%	0.589	S	S	*	*	H	α-helix	trans	-66	-30.8	179.5	-82.3	-177.6	-179.3	170.2	0	113.7	Q621 N627	Q621-K625 PolarHBondContact O-N 3.29Å; K625-N627 VanDerWaalsContact C-N 3.32Å
626	N	30.6	Very low	34.6	Very low	141 Å²	141	114 Å²	114	75%	0.754	61%	0.611	S	S	*	*	H	α-helix	trans	-76.1	-19.1	176.2	-84.5	-21	0	0	0	113.5	D622 E624	D622-N626 PolarHBondContact O-N 2.85Å; E624-N626 VanDerWaalsContact C-N 3.31Å; E624-N626 PolarHBondContact O-N 3.31Å
627	N	29.5	Very low	33.5	Very low	144 Å²	144	119.7 Å²	119.7	77%	0.77	64%	0.637	S	S	*	*	H	α-helix	trans	-100.7	-17.2	175.8	-85.1	-14.5	0	0	0	114.1	I623 E624 K625 G629	I623-N627 PolarHBondContact O-N 2.87Å; E624-N627 PolarHBondContact O-N 3.25Å; E624-N627 VanDerWaalsContact O-N 3.16Å; K625-N627 VanDerWaalsContact C-N 3.32Å; N627-G629 PolarHBondContact O-N 3.19Å
628	S	27.3	Very low	32.3	Very low	78 Å²	78	121.3 Å²	121.3	55%	0.545	66%	0.66	S	S	.	*			trans	-91.1	77.8	178.8	71.6	0	0	0	0	112.3	E624	E624-S628 PolarHBondContact O-N 2.78Å; E624-S628 PolarHBondContact O-OG 3.15Å
629	G	24.3	Very low	31.1	Very low	68 Å²	68	130.2 Å²	130.2	70%	0.701	70%	0.696	S	S	*	*			trans	-66.5	127.5	155.9	0	0	0	0	0	109.6	N627	N627-G629 PolarHBondContact O-N 3.19Å
630	K	25.1	Very low	29.9	Very low	193 Å²	193	135.5 Å²	135.5	84%	0.839	72%	0.718	S	S	*	*			trans	88.8	105.5	174.2	-52.4	173.4	177.6	176.9	0	116.3
631	T	27.6	Very low	28.9	Very low	139 Å²	139	136.5 Å²	136.5	85%	0.853	74%	0.735	S	S	*	*				164.7	127.4	103.5	36.7	0	0	0	0	108.8	K633	T631-K633 PolarHBondContact O-N 3.22Å
632	G	23.1	Very low	28	Very low	85 Å²	85	143.8 Å²	143.8	88%	0.876	76%	0.758	S	S	*	*			trans	-64.9	124.6	-177.8	0	0	0	0	0	112.1
633	K	27.3	Very low	27.4	Very low	194 Å²	194	147.5 Å²	147.5	84%	0.843	79%	0.787	S	S	*	*			trans	-119.7	114.1	156.7	-83.3	-175.1	177.1	176.2	0	108.3	T631 L635	T631-K633 PolarHBondContact O-N 3.22Å; K633-L635 PolarHBondContact O-N 2.61Å
634	N	23.1	Very low	26.9	Very low	174 Å²	174	148.2 Å²	148.2	93%	0.93	80%	0.8	S	S	*	*			trans	-53.6	102.2	171.8	-78.6	-40.3	0	0	0	110.3
635	L	23.3	Very low	26.5	Very low	161 Å²	161	149.4 Å²	149.4	84%	0.843	81%	0.809	S	S	*	*			trans	-88	117.2	167.9	-136.1	85.6	0	0	0	108.5	K633 I637	K633-L635 PolarHBondContact O-N 2.61Å; L635-I637 PolarHBondContact O-N 3.17Å
636	K	24.6	Very low	26.1	Very low	207 Å²	207	157.3 Å²	157.3	90%	0.9	84%	0.835	S	S	*	*			trans	-63.1	118.1	177.2	-78.5	179.2	174.8	176.8	0	110.1	G638	K636-G638 PolarHBondContact O-N 2.92Å
637	I	25.7	Very low	25.8	Very low	160 Å²	160	158.1 Å²	158.1	82%	0.821	84%	0.84	S	S	*	*			trans	-71.5	104.6	176.2	-71.5	156.1	0	0	0	109.2	L635	L635-I637 PolarHBondContact O-N 3.17Å
638	G	27.2	Very low	25.6	Very low	62 Å²	62	158.8 Å²	158.8	64%	0.639	84%	0.843	S	S	*	*			trans	-72.1	129.6	166.8	0	0	0	0	0	110.4	K636 F640	K636-G638 PolarHBondContact O-N 2.92Å; G638-F640 PolarHBondContact O-N 3.49Å
639	K	26.5	Very low	25.5	Very low	214 Å²	214	163.3 Å²	163.3	93%	0.93	86%	0.86	S	S	*	*			trans	-53.6	102.4	178.6	-70.1	172.3	176.2	173.4	0	111.3
640	F	24.6	Very low	25.6	Very low	191 Å²	191	168.9 Å²	168.9	84%	0.838	87%	0.869	S	S	*	*			trans	-135.3	77.9	174	-149.9	-87.9	0	0	0	109.6	G638	G638-F640 PolarHBondContact O-N 3.49Å
641	C	25.1	Very low	25.7	Very low	127 Å²	127	167.4 Å²	167.4	86%	0.858	87%	0.871	S	S	*	*			trans	-167.2	94.9	169.5	-142.4	0	0	0	0	110.3
642	R	26	Very low	25.5	Very low	253 Å²	253	169.3 Å²	169.3	96%	0.955	87%	0.872	S	S	*	*	S	Bend	trans	-158.5	3.7	159.8	-120.7	-177.7	-97.4	-106.1	6.5	116.8
643	S	28.2	Very low	25.7	Very low	107 Å²	107	175.4 Å²	175.4	75%	0.748	87%	0.872	S	S	*	*	S	Bend	trans	-110.8	4.6	-175.1	-158.1	0	0	0	0	116.9
644	C	27.2	Very low	25.6	Very low	129 Å²	129	173.9 Å²	173.9	87%	0.872	87%	0.874	S	S	*	*	S	Bend	trans	-100.5	18.1	178.5	-68.1	0	0	0	0	114.9
645	I	25.6	Very low	25.8	Very low	172 Å²	172	173.9 Å²	173.9	88%	0.882	87%	0.869	S	S	*	*			trans	-123.6	31.1	173.4	-54.9	178	0	0	0	111.3
646	R	25.7	Very low	26	Very low	304 Å²	304	175.1 Å²	175.1	100%	1.147	87%	0.872	S	S	*	*			trans	-140.8	0	161.8	-97.1	-173.2	176.9	179.7	-1.4	107.8

Retrieved 646 of 646 residues in 420.6 ms (Link to these results)

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