G4VI72_SCHMA Loading...

Tyramine/octopamine receptor

AlphaFold DB , UniProt , Accession G4VI72, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 524 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	40.2	Very low	34.6	Very low	241 Å²	241	158.5 Å²	158.5	100%	1.187	83%	0.833	S	S	*	*				0	71	0	-65	176.8	-176	0	0	106.5
2	N	31	Very low	35.2	Very low	146 Å²	146	152.8 Å²	152.8	78%	0.781	81%	0.812	S	S	*	*				55.9	106.5	61.8	-78.9	13.9	0	0	0	115.4
3	H	34.2	Very low	35.6	Very low	172 Å²	172	154.3 Å²	154.3	80%	0.796	81%	0.812	S	S	*	*			trans	100.3	139.9	153.5	-71.8	-73	0	0	0	120.5
4	L	37.3	Very low	35.8	Very low	151 Å²	151	152.6 Å²	152.6	79%	0.791	80%	0.803	S	S	*	*			trans	95.3	105.5	168.8	-53.7	159.9	0	0	0	112.2
5	F	39.1	Very low	36	Very low	193 Å²	193	152.6 Å²	152.6	85%	0.846	80%	0.798	S	S	*	*				-152.2	127.7	52.8	-93.5	-97.1	0	0	0	112.5
6	S	29.3	Very low	36.3	Very low	118 Å²	118	154 Å²	154	83%	0.825	79%	0.791	S	S	*	*			trans	-95.2	127.6	157.1	178.3	0	0	0	0	107.3
7	S	37.2	Very low	36.7	Very low	101 Å²	101	156.5 Å²	156.5	71%	0.706	79%	0.788	S	S	*	*			trans	-146.3	103.7	168.8	172	0	0	0	0	108.3
8	N	30.9	Very low	36.8	Very low	143 Å²	143	156.1 Å²	156.1	77%	0.765	79%	0.785	S	S	*	*			trans	-32.5	130.4	159.9	-74.9	-25.3	0	0	0	112.6
9	N	35.4	Very low	37	Very low	156 Å²	156	154.3 Å²	154.3	83%	0.834	77%	0.773	S	S	*	*			trans	-149.6	115.6	143.3	-90.6	-32	0	0	0	109.5	F11	N9-F11 PolarHBondContact O-N 3.44Å
10	T	32.8	Very low	37.5	Very low	124 Å²	124	148.8 Å²	148.8	76%	0.761	75%	0.753	S	S	*	*			trans	-57.3	111.7	174.9	39	0	0	0	0	113
11	F	33.7	Very low	37.7	Very low	199 Å²	199	145.2 Å²	145.2	87%	0.873	74%	0.741	S	S	*	*			trans	-167.9	92.8	156.3	-104.7	-81.2	0	0	0	107.2	N9	N9-F11 PolarHBondContact O-N 3.44Å
12	P	41.9	Very low	38	Very low	90 Å²	90	140.9 Å²	140.9	58%	0.584	72%	0.718	S	S	*	*				-157.4	83.6	120.8	36.9	-14.6	0	0	0	113.3
13	E	40.2	Very low	38.8	Very low	172 Å²	172	139.7 Å²	139.7	80%	0.804	71%	0.707	S	S	*	*	S	Bend	trans	-107.3	-17.7	171.4	-94.1	-172.3	161.3	0	0	113.9
14	N	37.8	Very low	39.3	Very low	130 Å²	130	137.1 Å²	137.1	70%	0.695	70%	0.7	S	S	*	*	H	α-helix	trans	-89	-22.5	-178.2	-74.5	-23.9	0	0	0	113.9
15	E	39.3	Very low	40	Very low	153 Å²	153	134.6 Å²	134.6	72%	0.715	69%	0.686	S	S	*	*	H	α-helix	trans	-77.9	-39.9	179.3	-152.6	159.9	-163.2	0	0	110.8	R17 M18 E19	E15-R17 VanDerWaalsContact C-N 3.27Å; E15-R17 PolarHBondContact O-N 3.32Å; E15-M18 PolarHBondContact O-N 3.49Å; E15-E19 PolarHBondContact O-N 2.96Å
16	Y	41.1	Very low	40.6	Very low	175 Å²	175	128.5 Å²	128.5	69%	0.686	67%	0.667	S	S	*	*	H	α-helix	trans	-64.5	-27.5	174.5	-121.7	-85.6	0	0	0	113.7	A20	Y16-A20 PolarHBondContact O-N 3.17Å
17	R	41.9	Very low	41.7	Very low	197 Å²	197	131.4 Å²	131.4	74%	0.743	66%	0.661	S	S	*	*	H	α-helix	trans	-78.3	-25	-178.5	-143	178.9	-157.3	177.9	7.1	113	E15 C21	E15-R17 VanDerWaalsContact C-N 3.27Å; E15-R17 PolarHBondContact O-N 3.32Å; R17-C21 PolarHBondContact O-N 3.08Å
18	M	38.9	Very low	42.4	Very low	149 Å²	149	129.2 Å²	129.2	73%	0.734	66%	0.655	S	S	*	*	H	α-helix	trans	-76.1	-40.1	172	-84.3	-165.5	-170.7	0	0	111.5	E15 C21 H22	E15-M18 PolarHBondContact O-N 3.49Å; M18-C21 PolarHBondContact O-N 3.47Å; M18-H22 PolarHBondContact O-N 3.05Å; M18-H22 VanDerWaalsContact O-N 3.09Å
19	E	41.8	Very low	43.4	Very low	121 Å²	121	124.8 Å²	124.8	57%	0.565	63%	0.63	S	S	*	*	H	α-helix	trans	-63.5	-42.3	177	-71.1	-177.7	155.2	0	0	111.8	E15 C21 H22 E23	E15-E19 PolarHBondContact O-N 2.96Å; E19-C21 VanDerWaalsContact C-N 3.26Å; E19-C21 PolarHBondContact O-N 3.02Å; E19-H22 PolarHBondContact O-N 3.5Å; E19-E23 PolarHBondContact O-N 3.03Å
20	A	45.3	Very low	44.1	Very low	45 Å²	45	126.7 Å²	126.7	37%	0.372	63%	0.632	S	S	.	*	H	α-helix	trans	-66.8	-23.5	175.7	0	0	0	0	0	114	Y16 N24	Y16-A20 PolarHBondContact O-N 3.17Å; A20-N24 PolarHBondContact O-N 2.96Å; A20-N24 PolarHBondContact O-ND2 2.86Å; A20-N24 VanDerWaalsContact O-ND2 3.11Å
21	C	41.9	Very low	45.2	Very low	74 Å²	74	126.3 Å²	126.3	50%	0.5	63%	0.634	S	S	.	*	H	α-helix	trans	-80.2	-33.9	175.1	-150.2	0	0	0	0	111.2	R17 M18 E19 I25	R17-C21 PolarHBondContact O-N 3.08Å; M18-C21 PolarHBondContact O-N 3.47Å; E19-C21 VanDerWaalsContact C-N 3.26Å; E19-C21 PolarHBondContact O-N 3.02Å; C21-I25 WeakPolarHBondContact O-CD1 3.31Å; C21-I25 WeakPolarHBondContact O-CG1 3.41Å; C21-I25 PolarHBondContact O-N 2.92Å
22	H	47	Very low	46.4	Very low	150 Å²	150	119.4 Å²	119.4	69%	0.694	61%	0.608	S	S	*	*	H	α-helix	trans	-65.7	-43.1	172.1	-101.7	-104.6	0	0	0	111.9	M18 E19 I25 S26	M18-H22 PolarHBondContact O-N 3.05Å; M18-H22 VanDerWaalsContact O-N 3.09Å; E19-H22 PolarHBondContact O-N 3.5Å; H22-I25 PolarHBondContact O-N 3.48Å; H22-S26 PolarHBondContact O-N 3.29Å; H22-S26 PolarHBondContact O-OG 3.02Å
23	E	47.3	Very low	47.4	Very low	120 Å²	120	120.5 Å²	120.5	56%	0.561	61%	0.609	S	S	*	*	H	α-helix	trans	-64.1	-44.4	178.3	-84.4	-169.5	149.4	0	0	112.8	E19 I25 S26 Y27	E19-E23 PolarHBondContact O-N 3.03Å; E23-I25 VanDerWaalsContact C-N 3.31Å; E23-I25 PolarHBondContact O-N 3.03Å; E23-S26 VanDerWaalsContact C-OG 3.27Å; E23-S26 VanDerWaalsContact CA-OG 3.29Å; E23-S26 WeakPolarHBondContact CA-OG 3.47Å; E23-S26 PolarHBondContact O-N 3.49Å; E23-S26 PolarHBondContact O-OG 2.81Å; E23-Y27 HydrophobicContact CB-CE2 4.5Å; E23-Y27 WeakPolarHBondContact O-CD2 3.42Å; E23-Y27 PolarHBondContact O-N 3.25Å
24	N	46	Very low	48.8	Very low	119 Å²	119	115.8 Å²	115.8	64%	0.636	60%	0.596	S	S	*	*	H	α-helix	trans	-68.3	-28.2	-179.7	-80.4	-43.3	0	0	0	113.8	A20 G28	A20-N24 PolarHBondContact O-N 2.96Å; A20-N24 PolarHBondContact O-ND2 2.86Å; A20-N24 VanDerWaalsContact O-ND2 3.11Å; N24-G28 PolarHBondContact O-N 3.39Å
25	I	52.4	Low	50.6	Low	97 Å²	97	114.4 Å²	114.4	50%	0.497	59%	0.588	S	S	.	*	H	α-helix	trans	-69.9	-39.4	173.2	-69.7	167.6	0	0	0	110.1	C21 H22 E23 Y27 G28 L29	C21-I25 WeakPolarHBondContact O-CD1 3.31Å; C21-I25 WeakPolarHBondContact O-CG1 3.41Å; C21-I25 PolarHBondContact O-N 2.92Å; H22-I25 PolarHBondContact O-N 3.48Å; E23-I25 VanDerWaalsContact C-N 3.31Å; E23-I25 PolarHBondContact O-N 3.03Å; I25-Y27 PolarHBondContact O-N 3.37Å; I25-G28 PolarHBondContact O-N 3.49Å; I25-L29 HydrophobicContact CG2-CD1 3.47Å; I25-L29 VanDerWaalsContact CG2-CD1 3.47Å; I25-L29 HydrophobicContact CG2-CG 4.31Å; I25-L29 WeakPolarHBondContact O-CB 3.47Å; I25-L29 VanDerWaalsContact O-CD1 3.32Å; I25-L29 WeakPolarHBondContact O-CD1 3.24Å; I25-L29 WeakPolarHBondContact O-CG 3.31Å; I25-L29 PolarHBondContact O-N 2.88Å
26	S	51.8	Low	52.5	Low	65 Å²	65	112.6 Å²	112.6	46%	0.455	58%	0.578	S	S	.	*	H	α-helix	trans	-64.8	-33.9	175.4	29.2	0	0	0	0	114.1	H22 E23	H22-S26 PolarHBondContact O-N 3.29Å; H22-S26 PolarHBondContact O-OG 3.02Å; E23-S26 VanDerWaalsContact C-OG 3.27Å; E23-S26 VanDerWaalsContact CA-OG 3.29Å; E23-S26 WeakPolarHBondContact CA-OG 3.47Å; E23-S26 PolarHBondContact O-N 3.49Å; E23-S26 PolarHBondContact O-OG 2.81Å
27	Y	50.9	Low	54.2	Low	180 Å²	180	106.6 Å²	106.6	71%	0.706	56%	0.557	S	S	*	*	H	α-helix	trans	-77.3	-28.8	177.3	-72.1	-71.7	0	0	0	113.6	E23 I25	E23-Y27 HydrophobicContact CB-CE2 4.5Å; E23-Y27 WeakPolarHBondContact O-CD2 3.42Å; E23-Y27 PolarHBondContact O-N 3.25Å; I25-Y27 PolarHBondContact O-N 3.37Å
28	G	52	Low	56	Low	55 Å²	55	101.7 Å²	101.7	57%	0.567	55%	0.546	S	S	*	.	H	α-helix	trans	-81.4	-16	175.7	0	0	0	0	0	115	N24 I25	N24-G28 PolarHBondContact O-N 3.39Å; I25-G28 PolarHBondContact O-N 3.49Å
29	L	51.7	Low	58.1	Low	49 Å²	49	99.1 Å²	99.1	26%	0.257	54%	0.535	S	S	.	.	S	Bend	trans	-92	-7	-179.4	-76.8	168.2	0	0	0	113.8	I25 S31 T32 I37	I25-L29 HydrophobicContact CG2-CD1 3.47Å; I25-L29 VanDerWaalsContact CG2-CD1 3.47Å; I25-L29 HydrophobicContact CG2-CG 4.31Å; I25-L29 WeakPolarHBondContact O-CB 3.47Å; I25-L29 VanDerWaalsContact O-CD1 3.32Å; I25-L29 WeakPolarHBondContact O-CD1 3.24Å; I25-L29 WeakPolarHBondContact O-CG 3.31Å; I25-L29 PolarHBondContact O-N 2.88Å; L29-S31 PolarHBondContact O-N 2.77Å; L29-S31 VanDerWaalsContact O-N 3.15Å; L29-T32 PolarHBondContact O-N 3.23Å; L29-T32 PolarHBondContact O-OG1 3.5Å; L29-I37 HydrophobicContact CB-CD1 3.95Å; L29-I37 HydrophobicContact CD2-CD1 4.37Å; L29-I37 HydrophobicContact CD2-CG1 4.27Å; L29-I37 WeakPolarHBondContact O-CD1 3.39Å
30	F	51.2	Low	59.9	Low	197 Å²	197	97.2 Å²	97.2	86%	0.864	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-5.5	-174.6	-143.2	-94.5	0	0	0	114.1
31	S	56.1	Low	61.8	Low	115 Å²	115	99 Å²	99	80%	0.804	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.4	6.7	176.1	71.7	0	0	0	0	114.4	L29	L29-S31 PolarHBondContact O-N 2.77Å; L29-S31 VanDerWaalsContact O-N 3.15Å
32	T	59.2	Low	63.7	Low	55 Å²	55	100 Å²	100	34%	0.337	53%	0.534	S	S	.	.	S	Bend	trans	-102.7	143.9	179.8	37.5	0	0	0	0	111.8	L29 S34 F36	L29-T32 PolarHBondContact O-N 3.23Å; L29-T32 PolarHBondContact O-OG1 3.5Å; T32-S34 PolarHBondContact O-N 3.24Å; T32-F36 HydrophobicContact CG2-CD1 4.47Å
33	N	62.5	Low	65.4	Low	112 Å²	112	98.3 Å²	98.3	60%	0.599	53%	0.53	S	S	*	.			trans	-50.9	131	-179	-164.6	-4.3	0	0	0	110.7	N35 F36 I37	N33-N35 PolarHBondContact O-N 2.88Å; N33-F36 WeakPolarHBondContact O-CB 3.46Å; N33-F36 PolarHBondContact O-N 2.9Å; N33-I37 PolarHBondContact O-N 2.91Å
34	S	69.9	Low	67	Low	74 Å²	74	96.1 Å²	96.1	52%	0.517	53%	0.525	S	S	.	.	H	α-helix	trans	-54.2	-31.6	-176.4	54.1	0	0	0	0	113.1	T32 I37 N38	T32-S34 PolarHBondContact O-N 3.24Å; S34-I37 PolarHBondContact O-N 2.83Å; S34-N38 PolarHBondContact O-N 2.98Å; S34-N38 PolarHBondContact O-ND2 3.1Å
35	N	75.2	Confident	68.8	Low	100 Å²	100	95.9 Å²	95.9	54%	0.535	52%	0.519	S	S	.	.	H	α-helix	trans	-61.8	-40.9	174.2	-65.3	-17.6	0	0	0	112.4	N33 N38 D39	N33-N35 PolarHBondContact O-N 2.88Å; N35-N38 PolarHBondContact O-N 2.85Å; N35-D39 VanDerWaalsContact O-CG 3.26Å; N35-D39 PolarHBondContact O-N 3.02Å
36	F	78.3	Confident	70	Confident	115 Å²	115	95.5 Å²	95.5	50%	0.504	52%	0.521	S	S	.	.	H	α-helix	trans	-67.6	-38.1	-179.2	-178.9	-100.1	0	0	0	112.5	T32 N33 L40	T32-F36 HydrophobicContact CG2-CD1 4.47Å; N33-F36 WeakPolarHBondContact O-CB 3.46Å; N33-F36 PolarHBondContact O-N 2.9Å; F36-L40 WeakPolarHBondContact O-CB 3.32Å; F36-L40 PolarHBondContact O-N 3.43Å
37	I	77.7	Confident	71.2	Confident	50 Å²	50	98.6 Å²	98.6	26%	0.256	53%	0.528	S	S	.	.	H	α-helix	trans	-66.5	-45.4	175.8	-62.3	-173.4	0	0	0	110.6	L29 N33 S34 D39 L40 V41	L29-I37 HydrophobicContact CB-CD1 3.95Å; L29-I37 HydrophobicContact CD2-CD1 4.37Å; L29-I37 HydrophobicContact CD2-CG1 4.27Å; L29-I37 WeakPolarHBondContact O-CD1 3.39Å; N33-I37 PolarHBondContact O-N 2.91Å; S34-I37 PolarHBondContact O-N 2.83Å; I37-D39 VanDerWaalsContact C-N 3.31Å; I37-D39 PolarHBondContact O-N 3.34Å; I37-L40 PolarHBondContact O-N 3.49Å; I37-V41 HydrophobicContact CG2-CG2 4.33Å; I37-V41 WeakPolarHBondContact O-CG2 3.25Å; I37-V41 PolarHBondContact O-N 3.43Å
38	N	79.4	Confident	72.5	Confident	94 Å²	94	93.3 Å²	93.3	50%	0.503	52%	0.517	S	S	.	.	H	α-helix	trans	-61.1	-40.6	177.9	-72.2	-25.8	0	0	0	111.8	S34 N35 V41 N42	S34-N38 PolarHBondContact O-N 2.98Å; S34-N38 PolarHBondContact O-ND2 3.1Å; N35-N38 PolarHBondContact O-N 2.85Å; N38-V41 PolarHBondContact O-N 3.48Å; N38-N42 WeakPolarHBondContact O-CB 3.29Å; N38-N42 VanDerWaalsContact O-CG 3.31Å; N38-N42 PolarHBondContact O-N 3.44Å; N38-N42 PolarHBondContact O-ND2 3.03Å
39	D	82.4	Confident	73.9	Confident	95 Å²	95	95.3 Å²	95.3	51%	0.508	51%	0.512	S	S	.	.	H	α-helix	trans	-64.5	-43.4	176	-71.2	-22.7	0	0	0	111.6	N35 I37 N42 L43	N35-D39 VanDerWaalsContact O-CG 3.26Å; N35-D39 PolarHBondContact O-N 3.02Å; I37-D39 VanDerWaalsContact C-N 3.31Å; I37-D39 PolarHBondContact O-N 3.34Å; D39-N42 PolarHBondContact O-N 3.47Å; D39-L43 WeakPolarHBondContact O-CB 3.23Å; D39-L43 WeakPolarHBondContact O-CD1 3.42Å; D39-L43 PolarHBondContact O-N 2.9Å
40	L	81	Confident	75.1	Confident	81 Å²	81	97.9 Å²	97.9	42%	0.424	52%	0.524	S	S	.	.	H	α-helix	trans	-65.6	-40.2	177.7	-171.1	68.1	0	0	0	112.4	F36 I37 L43 T44	F36-L40 WeakPolarHBondContact O-CB 3.32Å; F36-L40 PolarHBondContact O-N 3.43Å; I37-L40 PolarHBondContact O-N 3.49Å; L40-L43 PolarHBondContact O-N 3.2Å; L40-T44 WeakPolarHBondContact O-CG2 3.36Å; L40-T44 PolarHBondContact O-N 3.09Å; L40-T44 PolarHBondContact O-OG1 2.92Å
41	V	84	Confident	76.5	Confident	81 Å²	81	93.9 Å²	93.9	49%	0.491	51%	0.506	S	S	.	.	H	α-helix	trans	-65	-41.7	174.4	172.1	0	0	0	0	110.7	I37 N38 T44 K45	I37-V41 HydrophobicContact CG2-CG2 4.33Å; I37-V41 WeakPolarHBondContact O-CG2 3.25Å; I37-V41 PolarHBondContact O-N 3.43Å; N38-V41 PolarHBondContact O-N 3.48Å; V41-T44 WeakPolarHBondContact CA-OG1 3.01Å; V41-T44 PolarHBondContact O-OG1 3.43Å; V41-K45 VanDerWaalsContact O-CB 3.25Å; V41-K45 WeakPolarHBondContact O-CB 3.45Å; V41-K45 PolarHBondContact O-N 2.96Å
42	N	82.4	Confident	77.8	Confident	95 Å²	95	91.2 Å²	91.2	51%	0.508	49%	0.488	S	S	.	.	H	α-helix	trans	-64.4	-42.2	175	-77.6	-26	0	0	0	111.8	N38 D39 K45 V46	N38-N42 WeakPolarHBondContact O-CB 3.29Å; N38-N42 VanDerWaalsContact O-CG 3.31Å; N38-N42 PolarHBondContact O-N 3.44Å; N38-N42 PolarHBondContact O-ND2 3.03Å; D39-N42 PolarHBondContact O-N 3.47Å; N42-K45 PolarHBondContact O-N 3.38Å; N42-V46 WeakPolarHBondContact O-CB 3.15Å; N42-V46 WeakPolarHBondContact O-CG2 3.25Å; N42-V46 PolarHBondContact O-N 3.35Å
43	L	82	Confident	79.1	Confident	116 Å²	116	94.8 Å²	94.8	61%	0.607	50%	0.5	S	S	*	.	H	α-helix	trans	-60.9	-49.1	175.7	-91.8	146.8	0	0	0	112.1	D39 L40 K45 V46 E47	D39-L43 WeakPolarHBondContact O-CB 3.23Å; D39-L43 WeakPolarHBondContact O-CD1 3.42Å; D39-L43 PolarHBondContact O-N 2.9Å; L40-L43 PolarHBondContact O-N 3.2Å; L43-K45 VanDerWaalsContact C-N 3.33Å; L43-K45 PolarHBondContact O-N 3.38Å; L43-V46 PolarHBondContact O-N 3.03Å; L43-E47 WeakPolarHBondContact O-CB 3.49Å; L43-E47 PolarHBondContact O-N 3.24Å
44	T	81.6	Confident	80.3	Confident	74 Å²	74	97.1 Å²	97.1	45%	0.454	50%	0.501	S	S	.	.	H	α-helix	trans	-64.7	-37.2	177.9	50.8	0	0	0	0	112.1	L40 V41 E47 S48	L40-T44 WeakPolarHBondContact O-CG2 3.36Å; L40-T44 PolarHBondContact O-N 3.09Å; L40-T44 PolarHBondContact O-OG1 2.92Å; V41-T44 WeakPolarHBondContact CA-OG1 3.01Å; V41-T44 PolarHBondContact O-OG1 3.43Å; T44-E47 PolarHBondContact O-N 2.65Å; T44-S48 WeakPolarHBondContact O-CB 3.35Å; T44-S48 PolarHBondContact O-N 3.5Å; T44-S48 PolarHBondContact O-OG 2.92Å
45	K	83	Confident	81.1	Confident	114 Å²	114	100.5 Å²	100.5	50%	0.496	50%	0.502	S	S	.	.	H	α-helix	trans	-64	-49.3	173.7	-173	176.6	176.1	-177.1	0	111.5	V41 N42 L43 E47 S48 E49	V41-K45 VanDerWaalsContact O-CB 3.25Å; V41-K45 WeakPolarHBondContact O-CB 3.45Å; V41-K45 PolarHBondContact O-N 2.96Å; N42-K45 PolarHBondContact O-N 3.38Å; L43-K45 VanDerWaalsContact C-N 3.33Å; L43-K45 PolarHBondContact O-N 3.38Å; K45-E47 VanDerWaalsContact C-N 3.3Å; K45-E47 PolarHBondContact O-N 3.45Å; K45-S48 PolarHBondContact O-N 3.43Å; K45-S48 VanDerWaalsContact O-N 3.16Å; K45-S48 PolarHBondContact O-OG 3.03Å; K45-E49 WeakPolarHBondContact CE-OE1 3.39Å; K45-E49 HydrophobicContact CG-CG 4.49Å; K45-E49 WeakPolarHBondContact O-CB 3.45Å; K45-E49 WeakPolarHBondContact O-CG 3.17Å; K45-E49 PolarHBondContact O-N 2.97Å
46	V	78.9	Confident	81.7	Confident	89 Å²	89	102 Å²	102	54%	0.539	50%	0.504	S	S	.	.	H	α-helix	trans	-59.5	-41.3	176	170.2	0	0	0	0	111	N42 L43 M50	N42-V46 WeakPolarHBondContact O-CB 3.15Å; N42-V46 WeakPolarHBondContact O-CG2 3.25Å; N42-V46 PolarHBondContact O-N 3.35Å; L43-V46 PolarHBondContact O-N 3.03Å; V46-M50 WeakPolarHBondContact O-CB 3.24Å; V46-M50 PolarHBondContact O-N 3.38Å
47	E	76.7	Confident	82.4	Confident	129 Å²	129	98.4 Å²	98.4	60%	0.603	50%	0.496	S	S	*	.	H	α-helix	trans	-64.1	-42.5	175.8	-171	175.3	-174.4	0	0	111.7	L43 T44 K45 F51	L43-E47 WeakPolarHBondContact O-CB 3.49Å; L43-E47 PolarHBondContact O-N 3.24Å; T44-E47 PolarHBondContact O-N 2.65Å; K45-E47 VanDerWaalsContact C-N 3.3Å; K45-E47 PolarHBondContact O-N 3.45Å; E47-F51 WeakPolarHBondContact O-CB 3.34Å; E47-F51 PolarHBondContact O-N 3.08Å
48	S	77.4	Confident	83	Confident	69 Å²	69	100.7 Å²	100.7	48%	0.483	51%	0.508	S	S	.	.	H	α-helix	trans	-66.9	-41.8	177.7	75.2	0	0	0	0	113	T44 K45 F51 S52	T44-S48 WeakPolarHBondContact O-CB 3.35Å; T44-S48 PolarHBondContact O-N 3.5Å; T44-S48 PolarHBondContact O-OG 2.92Å; K45-S48 PolarHBondContact O-N 3.43Å; K45-S48 VanDerWaalsContact O-N 3.16Å; K45-S48 PolarHBondContact O-OG 3.03Å; S48-F51 PolarHBondContact O-N 2.93Å; S48-S52 WeakPolarHBondContact O-CB 3.42Å; S48-S52 PolarHBondContact O-N 3.32Å
49	E	80.9	Confident	83.6	Confident	98 Å²	98	99.6 Å²	99.6	46%	0.458	50%	0.502	S	S	.	.	H	α-helix	trans	-65.8	-49.5	176.3	-74.8	178.9	-179.3	0	0	109.7	K45 F51 S52 E53	K45-E49 WeakPolarHBondContact CE-OE1 3.39Å; K45-E49 HydrophobicContact CG-CG 4.49Å; K45-E49 WeakPolarHBondContact O-CB 3.45Å; K45-E49 WeakPolarHBondContact O-CG 3.17Å; K45-E49 PolarHBondContact O-N 2.97Å; E49-F51 VanDerWaalsContact C-N 3.32Å; E49-F51 PolarHBondContact O-N 3.3Å; E49-S52 WeakPolarHBondContact O-CB 3.37Å; E49-S52 PolarHBondContact O-N 2.93Å; E49-S52 VanDerWaalsContact O-N 3.08Å; E49-S52 PolarHBondContact O-OG 3.31Å; E49-E53 WeakPolarHBondContact O-CG 3.44Å; E49-E53 PolarHBondContact O-N 3.46Å
50	M	77.1	Confident	84.1	Confident	103 Å²	103	99 Å²	99	51%	0.507	50%	0.498	S	S	.	.	H	α-helix	trans	-57.1	-45.8	176.1	-176.8	178.1	67.2	0	0	111.1	V46 S52 E53 W54	V46-M50 WeakPolarHBondContact O-CB 3.24Å; V46-M50 PolarHBondContact O-N 3.38Å; M50-S52 VanDerWaalsContact C-N 3.31Å; M50-S52 PolarHBondContact O-N 3.41Å; M50-E53 PolarHBondContact O-N 2.96Å; M50-W54 PolarHBondContact O-N 2.85Å
51	F	80.7	Confident	84.7	Confident	112 Å²	112	99.5 Å²	99.5	49%	0.491	50%	0.501	S	S	.	.	H	α-helix	trans	-63.8	-35.8	177.5	-172.5	-120.4	0	0	0	112.8	E47 S48 E49 R55	E47-F51 WeakPolarHBondContact O-CB 3.34Å; E47-F51 PolarHBondContact O-N 3.08Å; S48-F51 PolarHBondContact O-N 2.93Å; E49-F51 VanDerWaalsContact C-N 3.32Å; E49-F51 PolarHBondContact O-N 3.3Å; F51-R55 WeakPolarHBondContact O-CB 3.29Å; F51-R55 VanDerWaalsContact O-CG 3.23Å; F51-R55 WeakPolarHBondContact O-CG 3.47Å; F51-R55 PolarHBondContact O-N 3.43Å
52	S	83	Confident	85.2	Confident	60 Å²	60	99 Å²	99	42%	0.42	50%	0.495	S	S	.	.	H	α-helix	trans	-66.9	-42.1	175.4	77.6	0	0	0	0	112.4	S48 E49 M50 R55 F56	S48-S52 WeakPolarHBondContact O-CB 3.42Å; S48-S52 PolarHBondContact O-N 3.32Å; E49-S52 WeakPolarHBondContact O-CB 3.37Å; E49-S52 PolarHBondContact O-N 2.93Å; E49-S52 VanDerWaalsContact O-N 3.08Å; E49-S52 PolarHBondContact O-OG 3.31Å; M50-S52 VanDerWaalsContact C-N 3.31Å; M50-S52 PolarHBondContact O-N 3.41Å; S52-R55 PolarHBondContact O-N 3.03Å; S52-F56 WeakPolarHBondContact O-CB 3.32Å; S52-F56 PolarHBondContact O-N 3.25Å
53	E	86.6	Confident	85.8	Confident	129 Å²	129	95.8 Å²	95.8	60%	0.603	48%	0.477	S	S	*	.	H	α-helix	trans	-64.2	-46.5	176.7	-71.2	-61	146.6	0	0	111.4	E49 M50 R55 F56 A57	E49-E53 WeakPolarHBondContact O-CG 3.44Å; E49-E53 PolarHBondContact O-N 3.46Å; M50-E53 PolarHBondContact O-N 2.96Å; E53-R55 VanDerWaalsContact C-N 3.33Å; E53-R55 PolarHBondContact O-N 2.94Å; E53-F56 PolarHBondContact O-N 3.36Å; E53-A57 WeakPolarHBondContact O-CB 3.42Å; E53-A57 PolarHBondContact O-N 3.1Å
54	W	88	Confident	86.4	Confident	161 Å²	161	92.9 Å²	92.9	61%	0.61	47%	0.466	S	S	*	.	H	α-helix	trans	-61.2	-41.7	175.2	-70.4	117.9	0	0	0	111.9	M50 F56 A57 L58	M50-W54 PolarHBondContact O-N 2.85Å; W54-F56 VanDerWaalsContact C-N 3.35Å; W54-A57 PolarHBondContact O-N 3.4Å; W54-L58 VanDerWaalsContact O-CB 3.29Å; W54-L58 WeakPolarHBondContact O-CB 3.03Å; W54-L58 WeakPolarHBondContact O-CG 3.3Å; W54-L58 PolarHBondContact O-N 3.17Å
55	R	86.9	Confident	87.1	Confident	145 Å²	145	94.5 Å²	94.5	55%	0.547	47%	0.472	S	S	.	.	H	α-helix	trans	-62.3	-42.3	175.8	-79.8	177.7	168.7	-148.1	-0.8	111.9	F51 S52 E53 L58 N59	F51-R55 WeakPolarHBondContact O-CB 3.29Å; F51-R55 VanDerWaalsContact O-CG 3.23Å; F51-R55 WeakPolarHBondContact O-CG 3.47Å; F51-R55 PolarHBondContact O-N 3.43Å; S52-R55 PolarHBondContact O-N 3.03Å; E53-R55 VanDerWaalsContact C-N 3.33Å; E53-R55 PolarHBondContact O-N 2.94Å; R55-L58 PolarHBondContact O-N 3.41Å; R55-N59 WeakPolarHBondContact O-CB 3.42Å; R55-N59 VanDerWaalsContact O-CG 3.28Å; R55-N59 PolarHBondContact O-N 3.2Å; R55-N59 PolarHBondContact O-ND2 3.19Å
56	F	88.2	Confident	87.7	Confident	131 Å²	131	89.6 Å²	89.6	58%	0.575	45%	0.45	S	S	*	.	H	α-helix	trans	-64.7	-47.9	177.6	-173.8	-104.7	0	0	0	111.5	S52 E53 W54 L58 N59 I60	S52-F56 WeakPolarHBondContact O-CB 3.32Å; S52-F56 PolarHBondContact O-N 3.25Å; E53-F56 PolarHBondContact O-N 3.36Å; W54-F56 VanDerWaalsContact C-N 3.35Å; F56-L58 PolarHBondContact O-N 3.43Å; F56-N59 PolarHBondContact O-N 2.92Å; F56-I60 HydrophobicContact CD1-CD1 3.73Å; F56-I60 HydrophobicContact CE1-CD1 3.31Å; F56-I60 HydrophobicContact CE1-CG1 4.33Å; F56-I60 HydrophobicContact CZ-CD1 3.79Å; F56-I60 HydrophobicContact CZ-CG1 4.48Å; F56-I60 WeakPolarHBondContact O-CG1 3.4Å; F56-I60 PolarHBondContact O-N 3.16Å
57	A	91.9	Very high	88.5	Confident	40 Å²	40	89.1 Å²	89.1	33%	0.331	44%	0.444	S	S	.	.	H	α-helix	trans	-59.9	-44.4	175.8	0	0	0	0	0	112.3	E53 W54 N59 I60 I61	E53-A57 WeakPolarHBondContact O-CB 3.42Å; E53-A57 PolarHBondContact O-N 3.1Å; W54-A57 PolarHBondContact O-N 3.4Å; A57-N59 PolarHBondContact O-N 3.29Å; A57-I60 PolarHBondContact O-N 2.8Å; A57-I61 VanDerWaalsContact O-CG1 3.31Å; A57-I61 WeakPolarHBondContact O-CG1 3.45Å; A57-I61 PolarHBondContact O-N 3.31Å
58	L	91.5	Very high	89.5	Confident	99 Å²	99	87.3 Å²	87.3	52%	0.518	44%	0.438	S	S	.	.	H	α-helix	trans	-61.4	-43.5	175.5	-74.7	172.8	0	0	0	111.8	W54 R55 F56 I60 I61 I62	W54-L58 VanDerWaalsContact O-CB 3.29Å; W54-L58 WeakPolarHBondContact O-CB 3.03Å; W54-L58 WeakPolarHBondContact O-CG 3.3Å; W54-L58 PolarHBondContact O-N 3.17Å; R55-L58 PolarHBondContact O-N 3.41Å; F56-L58 PolarHBondContact O-N 3.43Å; L58-I60 VanDerWaalsContact C-N 3.35Å; L58-I60 PolarHBondContact O-N 3.07Å; L58-I61 PolarHBondContact O-N 3.3Å; L58-I62 WeakPolarHBondContact O-CB 3.47Å; L58-I62 VanDerWaalsContact O-CG1 3.23Å; L58-I62 WeakPolarHBondContact O-CG1 3.48Å; L58-I62 PolarHBondContact O-N 3.37Å
59	N	90.4	Very high	90.4	Very high	71 Å²	71	84.6 Å²	84.6	38%	0.38	42%	0.419	S	S	.	.	H	α-helix	trans	-61.2	-42.4	176.3	-78.2	-25.3	0	0	0	111.9	R55 F56 A57 I61 I62 I63	R55-N59 WeakPolarHBondContact O-CB 3.42Å; R55-N59 VanDerWaalsContact O-CG 3.28Å; R55-N59 PolarHBondContact O-N 3.2Å; R55-N59 PolarHBondContact O-ND2 3.19Å; F56-N59 PolarHBondContact O-N 2.92Å; A57-N59 PolarHBondContact O-N 3.29Å; N59-I61 PolarHBondContact O-N 3.28Å; N59-I62 PolarHBondContact O-N 3.46Å; N59-I63 WeakPolarHBondContact O-CB 3.42Å; N59-I63 WeakPolarHBondContact O-CD1 3.46Å; N59-I63 VanDerWaalsContact O-CG1 3.25Å; N59-I63 WeakPolarHBondContact O-CG1 3.24Å; N59-I63 PolarHBondContact O-N 3.05Å
60	I	93.2	Very high	91.2	Very high	81 Å²	81	80.4 Å²	80.4	42%	0.415	40%	0.402	S	S	.	.	H	α-helix	trans	-60.6	-45.2	175.1	-70.6	171.5	0	0	0	111.1	F56 A57 L58 I63 S64	F56-I60 HydrophobicContact CD1-CD1 3.73Å; F56-I60 HydrophobicContact CE1-CD1 3.31Å; F56-I60 HydrophobicContact CE1-CG1 4.33Å; F56-I60 HydrophobicContact CZ-CD1 3.79Å; F56-I60 HydrophobicContact CZ-CG1 4.48Å; F56-I60 WeakPolarHBondContact O-CG1 3.4Å; F56-I60 PolarHBondContact O-N 3.16Å; A57-I60 PolarHBondContact O-N 2.8Å; L58-I60 VanDerWaalsContact C-N 3.35Å; L58-I60 PolarHBondContact O-N 3.07Å; I60-I63 PolarHBondContact O-N 3.11Å; I60-S64 WeakPolarHBondContact O-CB 3.25Å; I60-S64 PolarHBondContact O-N 3.49Å; I60-S64 PolarHBondContact O-OG 3.47Å
61	I	94.8	Very high	92.1	Very high	93 Å²	93	80 Å²	80	48%	0.477	40%	0.401	S	S	.	.	H	α-helix	trans	-61.5	-46.6	177.7	-67.8	165.1	0	0	0	110.2	A57 L58 N59 S64 L65	A57-I61 VanDerWaalsContact O-CG1 3.31Å; A57-I61 WeakPolarHBondContact O-CG1 3.45Å; A57-I61 PolarHBondContact O-N 3.31Å; L58-I61 PolarHBondContact O-N 3.3Å; N59-I61 PolarHBondContact O-N 3.28Å; I61-S64 PolarHBondContact O-N 3.45Å; I61-L65 HydrophobicContact CG2-CD1 4.02Å; I61-L65 HydrophobicContact CG2-CG 4.44Å; I61-L65 VanDerWaalsContact O-CG 3.31Å; I61-L65 WeakPolarHBondContact O-CG 3.44Å; I61-L65 PolarHBondContact O-N 2.92Å
62	I	93.9	Very high	92.9	Very high	71 Å²	71	80.1 Å²	80.1	36%	0.364	40%	0.402	S	S	.	.	H	α-helix	trans	-59.6	-50.2	178.6	-71.5	165.7	0	0	0	110.6	L58 N59 S64 L65 Q66	L58-I62 WeakPolarHBondContact O-CB 3.47Å; L58-I62 VanDerWaalsContact O-CG1 3.23Å; L58-I62 WeakPolarHBondContact O-CG1 3.48Å; L58-I62 PolarHBondContact O-N 3.37Å; N59-I62 PolarHBondContact O-N 3.46Å; I62-S64 VanDerWaalsContact C-N 3.3Å; I62-S64 PolarHBondContact O-N 2.81Å; I62-L65 PolarHBondContact O-N 2.89Å; I62-Q66 HydrophobicContact CG2-CG 4.38Å; I62-Q66 WeakPolarHBondContact O-CB 3.45Å; I62-Q66 WeakPolarHBondContact O-CG 3.37Å; I62-Q66 PolarHBondContact O-N 3.32Å
63	I	94.5	Very high	93.6	Very high	27 Å²	27	77.2 Å²	77.2	14%	0.138	38%	0.382	C	S	.	.	H	α-helix	trans	-60.1	-42	178.6	-69.7	161.3	0	0	0	110.7	N59 I60 L65 Q66 I67 I117 Q120 V121	N59-I63 WeakPolarHBondContact O-CB 3.42Å; N59-I63 WeakPolarHBondContact O-CD1 3.46Å; N59-I63 VanDerWaalsContact O-CG1 3.25Å; N59-I63 WeakPolarHBondContact O-CG1 3.24Å; N59-I63 PolarHBondContact O-N 3.05Å; I60-I63 PolarHBondContact O-N 3.11Å; I63-L65 PolarHBondContact O-N 2.95Å; I63-Q66 WeakPolarHBondContact O-CB 3.31Å; I63-Q66 PolarHBondContact O-N 3.25Å; I63-I67 HydrophobicContact CG2-CD1 3.88Å; I63-I67 HydrophobicContact CG2-CG1 4.48Å; I63-I67 WeakPolarHBondContact O-CG1 3.41Å; I63-I67 PolarHBondContact O-N 2.94Å; I63-I117 HydrophobicContact CG2-CG2 4.27Å; I63-Q120 HydrophobicContact CD1-CG 4.35Å; I63-Q120 HydrophobicContact CG1-CG 3.81Å; I63-V121 HydrophobicContact CD1-CG2 3.92Å; I63-V121 HydrophobicContact CG1-CG2 4.34Å; I63-V121 HydrophobicContact CG2-CG2 4Å
64	S	95.9	Very high	94.1	Very high	55 Å²	55	75 Å²	75	39%	0.385	37%	0.37	S	S	.	.	H	α-helix	trans	-62.2	-44.3	177.5	-58.9	0	0	0	0	111.8	I60 I61 I62 Q66 I67 L68	I60-S64 WeakPolarHBondContact O-CB 3.25Å; I60-S64 PolarHBondContact O-N 3.49Å; I60-S64 PolarHBondContact O-OG 3.47Å; I61-S64 PolarHBondContact O-N 3.45Å; I62-S64 VanDerWaalsContact C-N 3.3Å; I62-S64 PolarHBondContact O-N 2.81Å; S64-Q66 VanDerWaalsContact C-N 3.33Å; S64-Q66 PolarHBondContact O-N 3.35Å; S64-I67 PolarHBondContact O-N 2.91Å; S64-L68 WeakPolarHBondContact O-CB 3.38Å; S64-L68 VanDerWaalsContact O-CG 3.3Å; S64-L68 WeakPolarHBondContact O-CG 3.23Å; S64-L68 PolarHBondContact O-N 3.25Å
65	L	95.8	Very high	94.6	Very high	108 Å²	108	70.5 Å²	70.5	57%	0.565	36%	0.362	S	S	*	.	H	α-helix	trans	-63.7	-38.7	175.2	-70.5	173.3	0	0	0	112	I61 I62 I63 L68 S69	I61-L65 HydrophobicContact CG2-CD1 4.02Å; I61-L65 HydrophobicContact CG2-CG 4.44Å; I61-L65 VanDerWaalsContact O-CG 3.31Å; I61-L65 WeakPolarHBondContact O-CG 3.44Å; I61-L65 PolarHBondContact O-N 2.92Å; I62-L65 PolarHBondContact O-N 2.89Å; I63-L65 PolarHBondContact O-N 2.95Å; L65-L68 PolarHBondContact O-N 3.23Å; L65-S69 VanDerWaalsContact O-CB 3.31Å; L65-S69 WeakPolarHBondContact O-CB 3.17Å; L65-S69 PolarHBondContact O-N 3.1Å; L65-S69 PolarHBondContact O-OG 3.28Å
66	Q	95.6	Very high	95.1	Very high	11 Å²	11	64.2 Å²	64.2	5%	0.051	34%	0.343	C	S	.	.	H	α-helix	trans	-63.2	-47.6	176.1	-72.7	174.4	5.7	0	0	111.6	I62 I63 S64 S69 G70 I117 W490	I62-Q66 HydrophobicContact CG2-CG 4.38Å; I62-Q66 WeakPolarHBondContact O-CB 3.45Å; I62-Q66 WeakPolarHBondContact O-CG 3.37Å; I62-Q66 PolarHBondContact O-N 3.32Å; I63-Q66 WeakPolarHBondContact O-CB 3.31Å; I63-Q66 PolarHBondContact O-N 3.25Å; S64-Q66 VanDerWaalsContact C-N 3.33Å; S64-Q66 PolarHBondContact O-N 3.35Å; Q66-S69 PolarHBondContact O-N 3.31Å; Q66-S69 PolarHBondContact O-OG 3.37Å; Q66-G70 PolarHBondContact O-N 2.97Å; Q66-I117 HydrophobicContact CB-CD1 4.33Å; Q66-I117 HydrophobicContact CB-CG1 4.04Å; Q66-W490 HydrophobicContact CB-CE3 4.38Å; Q66-W490 HydrophobicContact CB-CH2 3.42Å; Q66-W490 VanDerWaalsContact CB-CH2 3.42Å; Q66-W490 HydrophobicContact CB-CZ2 3.68Å; Q66-W490 HydrophobicContact CB-CZ3 3.79Å; Q66-W490 HydrophobicContact CG-CD2 3.69Å; Q66-W490 VanDerWaalsContact CG-CE2 3.45Å; Q66-W490 HydrophobicContact CG-CE3 3.82Å; Q66-W490 HydrophobicContact CG-CG 4.46Å; Q66-W490 HydrophobicContact CG-CH2 3.54Å; Q66-W490 HydrophobicContact CG-CZ2 3.38Å; Q66-W490 HydrophobicContact CG-CZ3 3.75Å; Q66-W490 VanDerWaalsContact NE2-CE2 3.32Å; Q66-W490 VanDerWaalsContact OE1-CZ2 3.28Å
67	I	96.6	Very high	95.6	Very high	78 Å²	78	58 Å²	58	40%	0.4	32%	0.316	S	S	.	.	H	α-helix	trans	-59.5	-48.9	176	-68.1	166.8	0	0	0	110.5	I63 S64 S69 G70 I71 I117	I63-I67 HydrophobicContact CG2-CD1 3.88Å; I63-I67 HydrophobicContact CG2-CG1 4.48Å; I63-I67 WeakPolarHBondContact O-CG1 3.41Å; I63-I67 PolarHBondContact O-N 2.94Å; S64-I67 PolarHBondContact O-N 2.91Å; I67-S69 VanDerWaalsContact C-N 3.34Å; I67-S69 PolarHBondContact O-N 3.41Å; I67-G70 PolarHBondContact O-N 3.48Å; I67-I71 HydrophobicContact CG2-CD1 4.09Å; I67-I71 WeakPolarHBondContact O-CG1 3.04Å; I67-I71 PolarHBondContact O-N 3.5Å; I67-I117 HydrophobicContact CD1-CG2 4.5Å; I67-I117 HydrophobicContact CG1-CD1 4.02Å; I67-I117 HydrophobicContact CG1-CG2 4.09Å
68	L	96.7	Very high	95.8	Very high	92 Å²	92	59.7 Å²	59.7	48%	0.482	32%	0.319	S	S	.	.	H	α-helix	trans	-59.2	-45	177.4	-72.1	173.7	0	0	0	111.6	S64 L65 G70 I71 F72	S64-L68 WeakPolarHBondContact O-CB 3.38Å; S64-L68 VanDerWaalsContact O-CG 3.3Å; S64-L68 WeakPolarHBondContact O-CG 3.23Å; S64-L68 PolarHBondContact O-N 3.25Å; L65-L68 PolarHBondContact O-N 3.23Å; L68-G70 VanDerWaalsContact C-N 3.32Å; L68-G70 PolarHBondContact O-N 3.47Å; L68-I71 PolarHBondContact O-N 2.8Å; L68-F72 WeakPolarHBondContact O-CD2 3.22Å; L68-F72 PolarHBondContact O-N 2.89Å
69	S	96.3	Very high	96.1	Very high	11 Å²	11	56.5 Å²	56.5	8%	0.077	30%	0.302	C	S	.	.	H	α-helix	trans	-60.8	-41.2	177	77	0	0	0	0	111.8	L65 Q66 I67 I71 F72 I73	L65-S69 VanDerWaalsContact O-CB 3.31Å; L65-S69 WeakPolarHBondContact O-CB 3.17Å; L65-S69 PolarHBondContact O-N 3.1Å; L65-S69 PolarHBondContact O-OG 3.28Å; Q66-S69 PolarHBondContact O-N 3.31Å; Q66-S69 PolarHBondContact O-OG 3.37Å; I67-S69 VanDerWaalsContact C-N 3.34Å; I67-S69 PolarHBondContact O-N 3.41Å; S69-I71 PolarHBondContact O-N 3.4Å; S69-F72 PolarHBondContact O-N 3.29Å; S69-I73 WeakPolarHBondContact O-CD1 3.36Å; S69-I73 WeakPolarHBondContact O-CG1 3.37Å; S69-I73 PolarHBondContact O-N 3.42Å
70	G	96.8	Very high	96.4	Very high	11 Å²	11	53.3 Å²	53.3	11%	0.113	29%	0.285	C	S	.	.	H	α-helix	trans	-61.1	-42.6	176.4	0	0	0	0	0	112.7	Q66 I67 L68 I73 F74	Q66-G70 PolarHBondContact O-N 2.97Å; I67-G70 PolarHBondContact O-N 3.48Å; L68-G70 VanDerWaalsContact C-N 3.32Å; L68-G70 PolarHBondContact O-N 3.47Å; G70-I73 PolarHBondContact O-N 2.95Å; G70-F74 WeakPolarHBondContact O-CB 3.43Å; G70-F74 PolarHBondContact O-N 3.47Å
71	I	97.3	Very high	96.7	Very high	94 Å²	94	51.4 Å²	51.4	48%	0.482	28%	0.276	S	S	.	.	H	α-helix	trans	-62.4	-45.5	174.7	-64.8	166.3	0	0	0	110.7	I67 L68 S69 I73 F74 C75	I67-I71 HydrophobicContact CG2-CD1 4.09Å; I67-I71 WeakPolarHBondContact O-CG1 3.04Å; I67-I71 PolarHBondContact O-N 3.5Å; L68-I71 PolarHBondContact O-N 2.8Å; S69-I71 PolarHBondContact O-N 3.4Å; I71-I73 PolarHBondContact O-N 2.92Å; I71-F74 PolarHBondContact O-N 2.84Å; I71-C75 WeakPolarHBondContact O-CB 3.45Å; I71-C75 PolarHBondContact O-N 2.89Å; I71-C75 PolarHBondContact O-SG 3.23Å
72	F	96.9	Very high	96.7	Very high	114 Å²	114	48.9 Å²	48.9	50%	0.5	27%	0.266	S	S	.	.	H	α-helix	trans	-63.3	-40.9	177.4	-83.1	-67	0	0	0	112.7	L68 S69 G76 M497	L68-F72 WeakPolarHBondContact O-CD2 3.22Å; L68-F72 PolarHBondContact O-N 2.89Å; S69-F72 PolarHBondContact O-N 3.29Å; F72-G76 WeakPolarHBondContact O-CA 3.42Å; F72-G76 PolarHBondContact O-N 3.07Å; F72-M497 HydrophobicContact CB-CG 4.08Å; F72-M497 HydrophobicContact CB-SD 4.14Å
73	I	97.8	Very high	96.9	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-62.4	-47.9	176.8	-65.6	162.3	0	0	0	109.8	S69 G70 I71 N77 D105 A109 L113 M497	S69-I73 WeakPolarHBondContact O-CD1 3.36Å; S69-I73 WeakPolarHBondContact O-CG1 3.37Å; S69-I73 PolarHBondContact O-N 3.42Å; G70-I73 PolarHBondContact O-N 2.95Å; I71-I73 PolarHBondContact O-N 2.92Å; I73-N77 WeakPolarHBondContact O-CB 3.4Å; I73-N77 PolarHBondContact O-N 3.29Å; I73-N77 VanDerWaalsContact O-N 3.08Å; I73-N77 PolarHBondContact O-ND2 3.09Å; I73-D105 WeakPolarHBondContact CG2-O 3.37Å; I73-A109 HydrophobicContact CB-CB 4.09Å; I73-A109 HydrophobicContact CG2-CB 3.75Å; I73-L113 HydrophobicContact CD1-CD1 3.68Å; I73-M497 HydrophobicContact CD1-CB 4.31Å; I73-M497 HydrophobicContact CG1-CB 3.63Å; I73-M497 HydrophobicContact CG1-CG 4.26Å
74	F	98.2	Very high	96.9	Very high	82 Å²	82	44.8 Å²	44.8	36%	0.36	25%	0.245	S	C	.	.	H	α-helix	trans	-60.3	-58.7	178.2	177.1	-95.1	0	0	0	111.8	G70 I71 G76 L78 L106 A109 V110	G70-F74 WeakPolarHBondContact O-CB 3.43Å; G70-F74 PolarHBondContact O-N 3.47Å; I71-F74 PolarHBondContact O-N 2.84Å; F74-G76 PolarHBondContact O-N 3.06Å; F74-L78 HydrophobicContact CE1-CD2 4.08Å; F74-L78 HydrophobicContact CZ-CD2 4.26Å; F74-L78 VanDerWaalsContact O-CB 3.22Å; F74-L78 WeakPolarHBondContact O-CB 3.2Å; F74-L78 PolarHBondContact O-N 3.15Å; F74-L106 HydrophobicContact CD2-CG 4.31Å; F74-A109 HydrophobicContact CB-CB 4.05Å; F74-V110 HydrophobicContact CD2-CG2 3.79Å; F74-V110 HydrophobicContact CE2-CG2 3.88Å
75	C	97.5	Very high	96.9	Very high	66 Å²	66	45.2 Å²	45.2	45%	0.446	25%	0.253	S	S	.	.	H	α-helix	trans	-63	-42.6	-176.6	-70.9	0	0	0	0	112	I71 L79	I71-C75 WeakPolarHBondContact O-CB 3.45Å; I71-C75 PolarHBondContact O-N 2.89Å; I71-C75 PolarHBondContact O-SG 3.23Å; C75-L79 VanDerWaalsContact O-CB 3.28Å; C75-L79 WeakPolarHBondContact O-CB 3.34Å; C75-L79 PolarHBondContact O-N 2.98Å
76	G	97.3	Very high	96.8	Very high	14 Å²	14	44 Å²	44	14%	0.144	25%	0.25	C	S	.	.	H	α-helix	trans	-65.8	-46.1	-178.3	0	0	0	0	0	112.6	F72 F74 L79 V80 P500	F72-G76 WeakPolarHBondContact O-CA 3.42Å; F72-G76 PolarHBondContact O-N 3.07Å; F74-G76 PolarHBondContact O-N 3.06Å; G76-L79 WeakPolarHBondContact O-CB 3.34Å; G76-L79 PolarHBondContact O-N 3.37Å; G76-V80 WeakPolarHBondContact O-CG2 3.45Å; G76-V80 PolarHBondContact O-N 3.07Å; G76-P500 WeakPolarHBondContact O-CG 3.44Å
77	N	97.9	Very high	96.7	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.005	26%	0.255	C	S	.	.	H	α-helix	trans	-73.2	-34	179	-73.1	-67.2	0	0	0	112	I73 L79 V80 I81 A102 L106 S496	I73-N77 WeakPolarHBondContact O-CB 3.4Å; I73-N77 PolarHBondContact O-N 3.29Å; I73-N77 VanDerWaalsContact O-N 3.08Å; I73-N77 PolarHBondContact O-ND2 3.09Å; N77-L79 VanDerWaalsContact C-N 3.29Å; N77-L79 PolarHBondContact O-N 3.38Å; N77-V80 WeakPolarHBondContact O-CB 3.42Å; N77-V80 PolarHBondContact O-N 2.71Å; N77-I81 WeakPolarHBondContact O-CG1 3.16Å; N77-I81 PolarHBondContact O-N 3.49Å; N77-A102 HydrophobicContact CB-CB 4.26Å; N77-A102 WeakPolarHBondContact CB-O 3.46Å; N77-L106 HydrophobicContact CB-CB 4.04Å; N77-S496 PolarHBondContact ND2-O 3.23Å
78	L	97.9	Very high	96.6	Very high	75 Å²	75	49 Å²	49	39%	0.393	27%	0.271	S	S	.	.	H	α-helix	trans	-60.8	-40.1	170.2	-176.8	61.8	0	0	0	111.5	F74 I81 S82 L106	F74-L78 HydrophobicContact CE1-CD2 4.08Å; F74-L78 HydrophobicContact CZ-CD2 4.26Å; F74-L78 VanDerWaalsContact O-CB 3.22Å; F74-L78 WeakPolarHBondContact O-CB 3.2Å; F74-L78 PolarHBondContact O-N 3.15Å; L78-I81 PolarHBondContact O-N 3.22Å; L78-S82 VanDerWaalsContact O-CB 3.27Å; L78-S82 WeakPolarHBondContact O-CB 3.47Å; L78-S82 PolarHBondContact O-N 2.94Å; L78-S82 PolarHBondContact O-OG 2.99Å; L78-L106 HydrophobicContact CB-CD1 3.85Å; L78-L106 HydrophobicContact CD1-CD1 4.24Å
79	L	97.2	Very high	96.3	Very high	31 Å²	31	48 Å²	48	16%	0.162	27%	0.268	C	S	.	.	H	α-helix	trans	-65	-39.3	175.7	-175	66.6	0	0	0	112	C75 G76 N77 S82 A83 F514 L517 L518	C75-L79 VanDerWaalsContact O-CB 3.28Å; C75-L79 WeakPolarHBondContact O-CB 3.34Å; C75-L79 PolarHBondContact O-N 2.98Å; G76-L79 WeakPolarHBondContact O-CB 3.34Å; G76-L79 PolarHBondContact O-N 3.37Å; N77-L79 VanDerWaalsContact C-N 3.29Å; N77-L79 PolarHBondContact O-N 3.38Å; L79-S82 PolarHBondContact O-N 3.32Å; L79-A83 VanDerWaalsContact O-CB 3.24Å; L79-A83 WeakPolarHBondContact O-CB 3.29Å; L79-A83 PolarHBondContact O-N 3.34Å; L79-F514 HydrophobicContact CD1-CD1 4.22Å; L79-F514 HydrophobicContact CD2-CB 4.05Å; L79-F514 HydrophobicContact CD2-CD1 3.81Å; L79-F514 HydrophobicContact CD2-CD2 4.01Å; L79-F514 HydrophobicContact CD2-CE1 4.21Å; L79-F514 HydrophobicContact CD2-CE2 4.39Å; L79-F514 HydrophobicContact CD2-CG 3.71Å; L79-F514 HydrophobicContact CD2-CZ 4.48Å; L79-F514 HydrophobicContact CG-CD1 3.59Å; L79-F514 HydrophobicContact CG-CE1 3.8Å; L79-F514 HydrophobicContact CG-CG 4.04Å; L79-F514 HydrophobicContact CG-CZ 4.4Å; L79-L517 HydrophobicContact CD1-CB 3.85Å; L79-L517 HydrophobicContact CD1-CD1 3.86Å; L79-L518 HydrophobicContact CD1-CD2 4.3Å; L79-L518 HydrophobicContact CD1-CG 4.27Å; L79-L518 HydrophobicContact CD2-CD1 3.97Å; L79-L518 HydrophobicContact CD2-CG 4.32Å
80	V	97.2	Very high	96	Very high	5 Å²	5	47.4 Å²	47.4	3%	0.03	26%	0.264	C	S	.	.	H	α-helix	trans	-59.1	-50.4	173.4	173.3	0	0	0	0	110.8	G76 N77 S82 A83 V84 I98 A102 P500 Y503 F514	G76-V80 WeakPolarHBondContact O-CG2 3.45Å; G76-V80 PolarHBondContact O-N 3.07Å; N77-V80 WeakPolarHBondContact O-CB 3.42Å; N77-V80 PolarHBondContact O-N 2.71Å; V80-S82 PolarHBondContact O-N 2.88Å; V80-A83 PolarHBondContact O-N 2.97Å; V80-V84 PolarHBondContact O-N 3.02Å; V80-I98 HydrophobicContact CG1-CG2 3.77Å; V80-A102 HydrophobicContact CB-CB 4.04Å; V80-A102 HydrophobicContact CG1-CB 3.78Å; V80-P500 HydrophobicContact CG2-CB 4.19Å; V80-P500 HydrophobicContact CG2-CG 4.12Å; V80-Y503 HydrophobicContact CG1-CD2 4.37Å; V80-Y503 HydrophobicContact CG1-CE2 4.44Å; V80-Y503 HydrophobicContact CG2-CD2 3.89Å; V80-Y503 HydrophobicContact CG2-CE2 4.48Å; V80-F514 HydrophobicContact CG2-CE1 4.46Å; V80-F514 HydrophobicContact CG2-CZ 3.79Å
81	I	97.7	Very high	95.8	Very high	41 Å²	41	52.9 Å²	52.9	21%	0.21	28%	0.282	C	S	.	.	H	α-helix	trans	-60.6	-47.8	179	-64.3	169.2	0	0	0	110.1	N77 L78 A83 V84 A85 V99 A102 L103 L106	N77-I81 WeakPolarHBondContact O-CG1 3.16Å; N77-I81 PolarHBondContact O-N 3.49Å; L78-I81 PolarHBondContact O-N 3.22Å; I81-A83 PolarHBondContact O-N 3.44Å; I81-V84 PolarHBondContact O-N 3.21Å; I81-A85 WeakPolarHBondContact O-CB 3.45Å; I81-A85 PolarHBondContact O-N 3.45Å; I81-V99 HydrophobicContact CG1-CG1 4.39Å; I81-V99 HydrophobicContact CG2-CG1 4.49Å; I81-A102 HydrophobicContact CD1-CB 4.32Å; I81-A102 HydrophobicContact CG1-CB 3.86Å; I81-L103 HydrophobicContact CD1-CB 4.47Å; I81-L106 HydrophobicContact CD1-CD1 4.23Å
82	S	96.8	Very high	95.4	Very high	40 Å²	40	51 Å²	51	28%	0.28	27%	0.268	S	S	.	.	H	α-helix	trans	-62.2	-40.7	179.8	-60.4	0	0	0	0	112.3	L78 L79 V80 V84 A85 T86	L78-S82 VanDerWaalsContact O-CB 3.27Å; L78-S82 WeakPolarHBondContact O-CB 3.47Å; L78-S82 PolarHBondContact O-N 2.94Å; L78-S82 PolarHBondContact O-OG 2.99Å; L79-S82 PolarHBondContact O-N 3.32Å; V80-S82 PolarHBondContact O-N 2.88Å; S82-V84 PolarHBondContact O-N 2.98Å; S82-A85 PolarHBondContact O-N 3.02Å; S82-T86 WeakPolarHBondContact O-CB 3.3Å; S82-T86 VanDerWaalsContact O-CG2 3.3Å; S82-T86 WeakPolarHBondContact O-CG2 3.31Å; S82-T86 PolarHBondContact O-N 2.84Å; S82-T86 PolarHBondContact O-OG1 3.12Å
83	A	96.3	Very high	95.2	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.008	25%	0.25	C	S	.	.	H	α-helix	trans	-61.7	-43	177.6	0	0	0	0	0	112	L79 V80 I81 T87 L90 A513 F514 L517	L79-A83 VanDerWaalsContact O-CB 3.24Å; L79-A83 WeakPolarHBondContact O-CB 3.29Å; L79-A83 PolarHBondContact O-N 3.34Å; V80-A83 PolarHBondContact O-N 2.97Å; I81-A83 PolarHBondContact O-N 3.44Å; A83-T87 WeakPolarHBondContact O-CB 3.11Å; A83-T87 PolarHBondContact O-N 2.69Å; A83-T87 PolarHBondContact O-OG1 3.48Å; A83-L90 HydrophobicContact CB-CD1 4.3Å; A83-A513 HydrophobicContact CB-CB 3.81Å; A83-F514 HydrophobicContact CB-CD1 3.75Å; A83-F514 HydrophobicContact CB-CE1 3.55Å; A83-L517 HydrophobicContact CB-CD1 4Å
84	V	95.9	Very high	94.9	Very high	10 Å²	10	47 Å²	47	6%	0.061	25%	0.252	C	S	.	.	H	α-helix	trans	-68.5	-42.7	176.1	174.9	0	0	0	0	110.9	V80 I81 S82 T86 L90 R91 D95 V99	V80-V84 PolarHBondContact O-N 3.02Å; I81-V84 PolarHBondContact O-N 3.21Å; S82-V84 PolarHBondContact O-N 2.98Å; V84-T86 PolarHBondContact O-N 2.89Å; V84-L90 WeakPolarHBondContact CG1-O 3.47Å; V84-L90 HydrophobicContact CG2-CB 4.4Å; V84-R91 WeakPolarHBondContact O-CG 3.42Å; V84-D95 HydrophobicContact CG1-CB 4.25Å; V84-D95 HydrophobicContact CG2-CB 4.3Å; V84-V99 HydrophobicContact CB-CG2 3.62Å; V84-V99 HydrophobicContact CG1-CG2 3.53Å; V84-V99 HydrophobicContact CG2-CG2 3.83Å
85	A	95.5	Very high	94.7	Very high	65 Å²	65	43.2 Å²	43.2	54%	0.537	24%	0.236	S	C	.	.	H	α-helix	trans	-63.1	-43.1	-179.6	0	0	0	0	0	112.9	I81 S82	I81-A85 WeakPolarHBondContact O-CB 3.45Å; I81-A85 PolarHBondContact O-N 3.45Å; S82-A85 PolarHBondContact O-N 3.02Å
86	T	94.2	Very high	94.5	Very high	83 Å²	83	42 Å²	42	51%	0.509	23%	0.225	S	C	.	.	H	α-helix	trans	-86.3	-32.4	-173.7	57.3	0	0	0	0	113.4	S82 V84 L517	S82-T86 WeakPolarHBondContact O-CB 3.3Å; S82-T86 VanDerWaalsContact O-CG2 3.3Å; S82-T86 WeakPolarHBondContact O-CG2 3.31Å; S82-T86 PolarHBondContact O-N 2.84Å; S82-T86 PolarHBondContact O-OG1 3.12Å; V84-T86 PolarHBondContact O-N 2.89Å; T86-L517 HydrophobicContact CG2-CD2 4.14Å
87	T	93.8	Very high	94.5	Very high	26 Å²	26	41.6 Å²	41.6	16%	0.16	22%	0.219	C	C	.	.			trans	-94.5	108.8	-173.2	-59.6	0	0	0	0	111.9	A83 V89 L90 A513	A83-T87 WeakPolarHBondContact O-CB 3.11Å; A83-T87 PolarHBondContact O-N 2.69Å; A83-T87 PolarHBondContact O-OG1 3.48Å; T87-V89 HydrophobicContact CG2-CB 4.36Å; T87-V89 PolarHBondContact O-N 2.96Å; T87-L90 HydrophobicContact CG2-CB 4.34Å; T87-L90 HydrophobicContact CG2-CD1 4.09Å; T87-L90 HydrophobicContact CG2-CG 3.93Å; T87-L90 PolarHBondContact O-N 2.83Å; T87-A513 WeakPolarHBondContact OG1-CB 3.43Å
88	K	92.8	Very high	94.4	Very high	167 Å²	167	42 Å²	42	73%	0.726	22%	0.221	S	C	*	.	G	3₁₀ helix	trans	-50.2	-37.8	-178.5	-61.1	-169.7	178.7	172.6	0	114.2	L90 R91	K88-L90 VanDerWaalsContact C-N 3.3Å; K88-L90 PolarHBondContact O-N 3.12Å; K88-R91 PolarHBondContact O-N 3.37Å
89	V	90.9	Very high	94.4	Very high	70 Å²	70	40.2 Å²	40.2	42%	0.424	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-70.8	-24	-178.6	-180	0	0	0	0	113	T87 K509	T87-V89 HydrophobicContact CG2-CB 4.36Å; T87-V89 PolarHBondContact O-N 2.96Å; V89-K509 HydrophobicContact CG1-CD 4.1Å
90	L	90.2	Very high	94.4	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-91.9	-0.2	178.2	-66.4	178.4	0	0	0	112.8	A83 V84 T87 K88 R92 D95 K509 A513	A83-L90 HydrophobicContact CB-CD1 4.3Å; V84-L90 WeakPolarHBondContact CG1-O 3.47Å; V84-L90 HydrophobicContact CG2-CB 4.4Å; T87-L90 HydrophobicContact CG2-CB 4.34Å; T87-L90 HydrophobicContact CG2-CD1 4.09Å; T87-L90 HydrophobicContact CG2-CG 3.93Å; T87-L90 PolarHBondContact O-N 2.83Å; K88-L90 VanDerWaalsContact C-N 3.3Å; K88-L90 PolarHBondContact O-N 3.12Å; L90-R92 PolarHBondContact O-N 3.39Å; L90-R92 VanDerWaalsContact O-N 3.1Å; L90-D95 VanDerWaalsContact C-OD2 3.31Å; L90-D95 WeakPolarHBondContact O-CB 3.33Å; L90-K509 HydrophobicContact CD2-CB 3.65Å; L90-A513 HydrophobicContact CD1-CB 3.7Å
91	R	91.6	Very high	94.4	Very high	126 Å²	126	38.9 Å²	38.9	48%	0.475	21%	0.207	S	C	.	.			trans	-86.5	39.9	177.6	-64.3	-175	-54.6	175.9	3.9	112.6	V84 K88	V84-R91 WeakPolarHBondContact O-CG 3.42Å; K88-R91 PolarHBondContact O-N 3.37Å
92	R	90.6	Very high	94.4	Very high	54 Å²	54	37 Å²	37	20%	0.204	20%	0.197	C	C	.	.	S	Bend	trans	-86.3	160.3	176.7	-50.8	168.3	-67.1	167.5	2.9	109.3	L90 T94 D95 L96	L90-R92 PolarHBondContact O-N 3.39Å; L90-R92 VanDerWaalsContact O-N 3.1Å; R92-T94 PolarHBondContact O-N 2.99Å; R92-D95 WeakPolarHBondContact CB-OD2 3.35Å; R92-D95 WeakPolarHBondContact CG-OD2 3.22Å; R92-D95 IonicContact CZ-OD1 3.73Å; R92-D95 IonicContact CZ-OD2 3.28Å; R92-D95 PolarHBondContact N-OD2 2.93Å; R92-D95 IonicContact NE-OD1 3.82Å; R92-D95 IonicContact NE-OD2 2.77Å; R92-D95 PolarHBondContact NE-OD2 3.32Å; R92-D95 IonicContact NH2-OD1 3.38Å; R92-D95 PolarHBondContact NH2-OD1 3.46Å; R92-D95 IonicContact NH2-OD2 3.51Å; R92-D95 PolarHBondContact NH2-OD2 2.96Å; R92-D95 WeakPolarHBondContact O-CB 3.48Å; R92-D95 PolarHBondContact O-N 3.3Å; R92-L96 PolarHBondContact O-N 3.03Å
93	I	92	Very high	94.5	Very high	23 Å²	23	38.6 Å²	38.6	12%	0.118	20%	0.202	C	C	.	.	H	α-helix	trans	-57.7	-35.1	-178.9	-62.7	168	0	0	0	111.7	D95 L96 R172 R174 A177	I93-D95 VanDerWaalsContact C-N 3.28Å; I93-D95 PolarHBondContact O-N 3.12Å; I93-L96 WeakPolarHBondContact O-CB 3.46Å; I93-L96 PolarHBondContact O-N 3.22Å; I93-R172 HydrophobicContact CB-CG 4.06Å; I93-R172 HydrophobicContact CD1-CG 3.73Å; I93-R172 WeakPolarHBondContact CD1-O 3.43Å; I93-R172 HydrophobicContact CG1-CG 4.49Å; I93-R172 HydrophobicContact CG2-CG 3.75Å; I93-R174 HydrophobicContact CD1-CG 4.35Å; I93-R174 HydrophobicContact CG1-CG 3.94Å; I93-A177 HydrophobicContact CG2-CB 3.57Å
94	T	90.9	Very high	94.6	Very high	8 Å²	8	38.5 Å²	38.5	5%	0.049	20%	0.202	C	C	.	.	H	α-helix	trans	-64.9	-33.4	177.2	51.1	0	0	0	0	113.3	R92 L96 Y97 Y168	R92-T94 PolarHBondContact O-N 2.99Å; T94-L96 PolarHBondContact O-N 3.39Å; T94-Y97 PolarHBondContact O-N 3.4Å; T94-Y168 WeakPolarHBondContact CG2-OH 3.46Å
95	D	93.5	Very high	94.7	Very high	2 Å²	2	38 Å²	38	1%	0.011	20%	0.199	C	C	.	.	H	α-helix	trans	-77.1	-17.8	-176.6	-53.4	-50.6	0	0	0	110.2	V84 L90 R92 I93 I98 V99	V84-D95 HydrophobicContact CG1-CB 4.25Å; V84-D95 HydrophobicContact CG2-CB 4.3Å; L90-D95 VanDerWaalsContact C-OD2 3.31Å; L90-D95 WeakPolarHBondContact O-CB 3.33Å; R92-D95 WeakPolarHBondContact CB-OD2 3.35Å; R92-D95 WeakPolarHBondContact CG-OD2 3.22Å; R92-D95 IonicContact CZ-OD1 3.73Å; R92-D95 IonicContact CZ-OD2 3.28Å; R92-D95 PolarHBondContact N-OD2 2.93Å; R92-D95 IonicContact NE-OD1 3.82Å; R92-D95 IonicContact NE-OD2 2.77Å; R92-D95 PolarHBondContact NE-OD2 3.32Å; R92-D95 IonicContact NH2-OD1 3.38Å; R92-D95 PolarHBondContact NH2-OD1 3.46Å; R92-D95 IonicContact NH2-OD2 3.51Å; R92-D95 PolarHBondContact NH2-OD2 2.96Å; R92-D95 WeakPolarHBondContact O-CB 3.48Å; R92-D95 PolarHBondContact O-N 3.3Å; I93-D95 VanDerWaalsContact C-N 3.28Å; I93-D95 PolarHBondContact O-N 3.12Å; D95-I98 WeakPolarHBondContact O-CB 3.37Å; D95-I98 PolarHBondContact O-N 3.37Å; D95-V99 WeakPolarHBondContact O-CG2 3.47Å; D95-V99 PolarHBondContact O-N 3.41Å
96	L	95.3	Very high	94.8	Very high	40 Å²	40	36 Å²	36	21%	0.209	18%	0.178	C	C	.	.	H	α-helix	trans	-64	-37.8	171.7	-61.7	177.6	0	0	0	112.5	R92 I93 T94 I98 V99 S100 R174 F178 I181	R92-L96 PolarHBondContact O-N 3.03Å; I93-L96 WeakPolarHBondContact O-CB 3.46Å; I93-L96 PolarHBondContact O-N 3.22Å; T94-L96 PolarHBondContact O-N 3.39Å; L96-I98 VanDerWaalsContact C-N 3.3Å; L96-I98 PolarHBondContact O-N 3.26Å; L96-V99 PolarHBondContact O-N 3.46Å; L96-S100 PolarHBondContact O-N 3.24Å; L96-R174 HydrophobicContact CD1-CG 4.44Å; L96-F178 HydrophobicContact CD1-CZ 4.37Å; L96-I181 HydrophobicContact CB-CD1 4.19Å
97	Y	96.5	Very high	95	Very high	5 Å²	5	34.2 Å²	34.2	2%	0.02	17%	0.166	C	C	.	.	H	α-helix	trans	-66.3	-35.4	175	-59.6	-71.4	0	0	0	111.8	T94 S100 L101 C153 I154 D157 A177 M180 I181	T94-Y97 PolarHBondContact O-N 3.4Å; Y97-S100 PolarHBondContact O-N 3.35Å; Y97-L101 PolarHBondContact O-N 3.48Å; Y97-C153 HydrophobicContact CD1-CB 4.13Å; Y97-C153 HydrophobicContact CE1-CB 4.22Å; Y97-I154 HydrophobicContact CG-CG1 4.36Å; Y97-D157 HydrophobicContact CD2-CB 4.36Å; Y97-D157 HydrophobicContact CE2-CB 3.82Å; Y97-A177 HydrophobicContact CE1-CB 4.28Å; Y97-A177 HydrophobicContact CE2-CB 4.29Å; Y97-A177 WeakPolarHBondContact OH-CA 3.44Å; Y97-M180 HydrophobicContact CE1-CB 3.97Å; Y97-M180 HydrophobicContact CE1-CE 4.29Å; Y97-M180 HydrophobicContact CE1-SD 4.47Å; Y97-M180 PolarHBondContact OH-SD 2.89Å; Y97-I181 HydrophobicContact CD1-CD1 3.95Å; Y97-I181 HydrophobicContact CD1-CG1 3.65Å; Y97-I181 HydrophobicContact CE1-CD1 4.33Å; Y97-I181 HydrophobicContact CE1-CG1 3.94Å
98	I	95.8	Very high	95.1	Very high	11 Å²	11	33.1 Å²	33.1	6%	0.056	16%	0.159	C	C	.	.	H	α-helix	trans	-66.5	-40.9	175.3	-63.4	174.5	0	0	0	110.3	V80 D95 L96 L101 A102 Y503	V80-I98 HydrophobicContact CG1-CG2 3.77Å; D95-I98 WeakPolarHBondContact O-CB 3.37Å; D95-I98 PolarHBondContact O-N 3.37Å; L96-I98 VanDerWaalsContact C-N 3.3Å; L96-I98 PolarHBondContact O-N 3.26Å; I98-L101 PolarHBondContact O-N 3.46Å; I98-A102 WeakPolarHBondContact O-CB 3.37Å; I98-A102 PolarHBondContact O-N 2.98Å; I98-Y503 HydrophobicContact CD1-CE1 4.11Å; I98-Y503 HydrophobicContact CG1-CE1 4.47Å; I98-Y503 HydrophobicContact CG2-CD2 4.41Å; I98-Y503 HydrophobicContact CG2-CE1 4.22Å; I98-Y503 HydrophobicContact CG2-CE2 3.7Å
99	V	97.2	Very high	95.4	Very high	36 Å²	36	25.7 Å²	25.7	22%	0.218	13%	0.128	C	C	.	.	H	α-helix	trans	-62.3	-42.7	174.3	170.8	0	0	0	0	111.4	I81 V84 D95 L96 A102 L103	I81-V99 HydrophobicContact CG1-CG1 4.39Å; I81-V99 HydrophobicContact CG2-CG1 4.49Å; V84-V99 HydrophobicContact CB-CG2 3.62Å; V84-V99 HydrophobicContact CG1-CG2 3.53Å; V84-V99 HydrophobicContact CG2-CG2 3.83Å; D95-V99 WeakPolarHBondContact O-CG2 3.47Å; D95-V99 PolarHBondContact O-N 3.41Å; L96-V99 PolarHBondContact O-N 3.46Å; V99-A102 PolarHBondContact O-N 3.05Å; V99-L103 WeakPolarHBondContact O-CB 3.45Å; V99-L103 PolarHBondContact O-N 3.18Å
100	S	97.9	Very high	95.7	Very high	8 Å²	8	25.6 Å²	25.6	6%	0.056	13%	0.128	C	C	.	.	H	α-helix	trans	-61.9	-42.4	177.2	-174.8	0	0	0	0	112.2	L96 Y97 L103 S104 N150 I181 W185	L96-S100 PolarHBondContact O-N 3.24Å; Y97-S100 PolarHBondContact O-N 3.35Å; S100-L103 PolarHBondContact O-N 3.1Å; S100-S104 PolarHBondContact O-N 3.15Å; S100-S104 VanDerWaalsContact O-N 3.14Å; S100-N150 WeakPolarHBondContact CB-OD1 3.16Å; S100-N150 PolarHBondContact OG-ND2 3.45Å; S100-N150 PolarHBondContact OG-OD1 3.28Å; S100-I181 WeakPolarHBondContact OG-CG2 3.47Å; S100-W185 PolarHBondContact OG-NE1 2.73Å
101	L	97.5	Very high	96	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.005	15%	0.145	C	C	.	.	H	α-helix	trans	-64.4	-44.7	174	-178	63.6	0	0	0	112.2	Y97 I98 L103 S104 D105 N150 I151 I154 V455	Y97-L101 PolarHBondContact O-N 3.48Å; I98-L101 PolarHBondContact O-N 3.46Å; L101-L103 PolarHBondContact O-N 3.22Å; L101-S104 PolarHBondContact O-N 3.39Å; L101-S104 PolarHBondContact O-OG 2.94Å; L101-D105 PolarHBondContact O-N 3.41Å; L101-D105 VanDerWaalsContact O-N 3.1Å; L101-N150 HydrophobicContact CB-CB 4.29Å; L101-N150 HydrophobicContact CD1-CB 4.16Å; L101-I151 HydrophobicContact CD1-CG1 4.16Å; L101-I151 HydrophobicContact CD2-CG1 4.29Å; L101-I154 HydrophobicContact CB-CD1 4.47Å; L101-I154 HydrophobicContact CD2-CD1 3.98Å; L101-V455 HydrophobicContact CD2-CG1 4.14Å
102	A	98	Very high	96.2	Very high	2 Å²	2	22.8 Å²	22.8	2%	0.017	12%	0.122	C	C	.	.	H	α-helix	trans	-63.4	-31.9	176.5	0	0	0	0	0	112.1	N77 V80 I81 I98 V99 L106	N77-A102 HydrophobicContact CB-CB 4.26Å; N77-A102 WeakPolarHBondContact CB-O 3.46Å; V80-A102 HydrophobicContact CB-CB 4.04Å; V80-A102 HydrophobicContact CG1-CB 3.78Å; I81-A102 HydrophobicContact CD1-CB 4.32Å; I81-A102 HydrophobicContact CG1-CB 3.86Å; I98-A102 WeakPolarHBondContact O-CB 3.37Å; I98-A102 PolarHBondContact O-N 2.98Å; V99-A102 PolarHBondContact O-N 3.05Å; A102-L106 WeakPolarHBondContact O-CB 3.45Å; A102-L106 PolarHBondContact O-N 3.32Å
103	L	98.2	Very high	96.5	Very high	72 Å²	72	20.3 Å²	20.3	38%	0.377	11%	0.113	S	C	.	.	H	α-helix	trans	-67.9	-44.8	175.5	-179.7	62.3	0	0	0	111.8	I81 V99 S100 L101 D105 L106 L107 W185	I81-L103 HydrophobicContact CD1-CB 4.47Å; V99-L103 WeakPolarHBondContact O-CB 3.45Å; V99-L103 PolarHBondContact O-N 3.18Å; S100-L103 PolarHBondContact O-N 3.1Å; L101-L103 PolarHBondContact O-N 3.22Å; L103-D105 VanDerWaalsContact C-N 3.34Å; L103-D105 PolarHBondContact O-N 2.77Å; L103-L106 PolarHBondContact O-N 2.94Å; L103-L107 HydrophobicContact CD1-CD1 4.44Å; L103-L107 HydrophobicContact CD1-CG 4.36Å; L103-L107 HydrophobicContact CG-CD1 4.3Å; L103-L107 VanDerWaalsContact O-CG 3.28Å; L103-L107 WeakPolarHBondContact O-CG 3.29Å; L103-L107 PolarHBondContact O-N 3.32Å; L103-W185 HydrophobicContact CD2-CZ2 4.3Å; L103-W185 HydrophobicContact CG-CZ2 4.42Å
104	S	97.8	Very high	96.6	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-62.7	-42.6	176.3	55.4	0	0	0	0	111.6	S100 L101 L107 V108 S147	S100-S104 PolarHBondContact O-N 3.15Å; S100-S104 VanDerWaalsContact O-N 3.14Å; L101-S104 PolarHBondContact O-N 3.39Å; L101-S104 PolarHBondContact O-OG 2.94Å; S104-L107 PolarHBondContact O-N 3.06Å; S104-V108 WeakPolarHBondContact O-CG2 3.41Å; S104-V108 PolarHBondContact O-N 3.37Å; S104-V108 VanDerWaalsContact O-N 3.1Å; S104-S147 WeakPolarHBondContact CB-OG 3.21Å; S104-S147 PolarHBondContact OG-OG 2.76Å
105	D	97.8	Very high	96.7	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-67.1	-36.5	177.9	-67.9	-13.8	0	0	0	112.8	I73 L101 L103 V108 A109 S147 S496 N499	I73-D105 WeakPolarHBondContact CG2-O 3.37Å; L101-D105 PolarHBondContact O-N 3.41Å; L101-D105 VanDerWaalsContact O-N 3.1Å; L103-D105 VanDerWaalsContact C-N 3.34Å; L103-D105 PolarHBondContact O-N 2.77Å; D105-V108 WeakPolarHBondContact O-CB 3.24Å; D105-V108 PolarHBondContact O-N 3.45Å; D105-A109 PolarHBondContact O-N 3.26Å; D105-S147 PolarHBondContact OD1-OG 3.39Å; D105-S496 PolarHBondContact OD1-OG 3.49Å; D105-N499 PolarHBondContact OD2-ND2 2.9Å
106	L	98	Very high	96.7	Very high	21 Å²	21	23.5 Å²	23.5	11%	0.11	13%	0.133	C	C	.	.	H	α-helix	trans	-66	-41.2	173.6	-177.5	146.5	0	0	0	111.5	F74 N77 L78 I81 A102 L103 V108 A109 V110	F74-L106 HydrophobicContact CD2-CG 4.31Å; N77-L106 HydrophobicContact CB-CB 4.04Å; L78-L106 HydrophobicContact CB-CD1 3.85Å; L78-L106 HydrophobicContact CD1-CD1 4.24Å; I81-L106 HydrophobicContact CD1-CD1 4.23Å; A102-L106 WeakPolarHBondContact O-CB 3.45Å; A102-L106 PolarHBondContact O-N 3.32Å; L103-L106 PolarHBondContact O-N 2.94Å; L106-V108 VanDerWaalsContact C-N 3.28Å; L106-V108 PolarHBondContact O-N 3.04Å; L106-A109 WeakPolarHBondContact O-CB 3.49Å; L106-A109 PolarHBondContact O-N 3.06Å; L106-A109 VanDerWaalsContact O-N 3.13Å; L106-V110 HydrophobicContact CD2-CG2 4.12Å; L106-V110 WeakPolarHBondContact O-CG2 3.29Å; L106-V110 PolarHBondContact O-N 3.45Å; L106-V110 VanDerWaalsContact O-N 3.12Å
107	L	98	Very high	96.7	Very high	47 Å²	47	22.6 Å²	22.6	25%	0.246	13%	0.129	C	C	.	.	H	α-helix	trans	-64.6	-32.2	176.7	-71.4	173.4	0	0	0	112	L103 S104 A109 V110 L111 L143 W185	L103-L107 HydrophobicContact CD1-CD1 4.44Å; L103-L107 HydrophobicContact CD1-CG 4.36Å; L103-L107 HydrophobicContact CG-CD1 4.3Å; L103-L107 VanDerWaalsContact O-CG 3.28Å; L103-L107 WeakPolarHBondContact O-CG 3.29Å; L103-L107 PolarHBondContact O-N 3.32Å; S104-L107 PolarHBondContact O-N 3.06Å; L107-A109 VanDerWaalsContact C-N 3.34Å; L107-V110 PolarHBondContact O-N 2.99Å; L107-L111 HydrophobicContact CB-CD1 4.44Å; L107-L111 HydrophobicContact CD2-CD1 4.12Å; L107-L111 WeakPolarHBondContact O-CB 3.36Å; L107-L111 PolarHBondContact O-N 3.35Å; L107-L143 HydrophobicContact CB-CD1 3.96Å; L107-L143 HydrophobicContact CB-CD2 3.69Å; L107-L143 HydrophobicContact CB-CG 4.5Å; L107-L143 HydrophobicContact CD1-CD2 3.93Å; L107-L143 HydrophobicContact CG-CD2 4.49Å; L107-W185 HydrophobicContact CD1-CH2 4.04Å; L107-W185 HydrophobicContact CD1-CZ3 4.49Å
108	V	97.6	Very high	96.5	Very high	3 Å²	3	25.6 Å²	25.6	2%	0.018	14%	0.144	C	C	.	.	I	π-helix	trans	-59.7	-46.1	170.9	171	0	0	0	0	110.5	S104 D105 L106 V110 I112 L113 L143 Y493	S104-V108 WeakPolarHBondContact O-CG2 3.41Å; S104-V108 PolarHBondContact O-N 3.37Å; S104-V108 VanDerWaalsContact O-N 3.1Å; D105-V108 WeakPolarHBondContact O-CB 3.24Å; D105-V108 PolarHBondContact O-N 3.45Å; L106-V108 VanDerWaalsContact C-N 3.28Å; L106-V108 PolarHBondContact O-N 3.04Å; V108-V110 VanDerWaalsContact C-N 3.3Å; V108-V110 PolarHBondContact O-N 3.2Å; V108-I112 HydrophobicContact CG1-CB 4.17Å; V108-I112 WeakPolarHBondContact O-CA 3.42Å; V108-I112 WeakPolarHBondContact O-CB 3.39Å; V108-I112 PolarHBondContact O-N 2.94Å; V108-L113 HydrophobicContact CG1-CD2 4.16Å; V108-L113 HydrophobicContact CG1-CG 4.18Å; V108-L113 PolarHBondContact O-N 3.06Å; V108-L143 HydrophobicContact CG2-CB 3.75Å; V108-L143 HydrophobicContact CG2-CD1 4.14Å; V108-Y493 HydrophobicContact CG1-CD1 4.13Å; V108-Y493 HydrophobicContact CG1-CE1 4.45Å
109	A	97.5	Very high	96.2	Very high	10 Å²	10	26.1 Å²	26.1	8%	0.083	15%	0.145	C	C	.	.	I	π-helix	trans	-64.1	-33.3	179	0	0	0	0	0	113.8	I73 F74 D105 L106 L107 L113 P114	I73-A109 HydrophobicContact CB-CB 4.09Å; I73-A109 HydrophobicContact CG2-CB 3.75Å; F74-A109 HydrophobicContact CB-CB 4.05Å; D105-A109 PolarHBondContact O-N 3.26Å; L106-A109 WeakPolarHBondContact O-CB 3.49Å; L106-A109 PolarHBondContact O-N 3.06Å; L106-A109 VanDerWaalsContact O-N 3.13Å; L107-A109 VanDerWaalsContact C-N 3.34Å; A109-L113 HydrophobicContact CB-CD1 4.19Å; A109-P114 WeakPolarHBondContact O-CD 3.34Å
110	V	97.4	Very high	95.8	Very high	68 Å²	68	26.4 Å²	26.4	41%	0.412	14%	0.144	S	C	.	.	I	π-helix	trans	-83	-42	-178.9	177.1	0	0	0	0	112	F74 L106 L107 V108	F74-V110 HydrophobicContact CD2-CG2 3.79Å; F74-V110 HydrophobicContact CE2-CG2 3.88Å; L106-V110 HydrophobicContact CD2-CG2 4.12Å; L106-V110 WeakPolarHBondContact O-CG2 3.29Å; L106-V110 PolarHBondContact O-N 3.45Å; L106-V110 VanDerWaalsContact O-N 3.12Å; L107-V110 PolarHBondContact O-N 2.99Å; V108-V110 VanDerWaalsContact C-N 3.3Å; V108-V110 PolarHBondContact O-N 3.2Å
111	L	96.5	Very high	95.5	Very high	67 Å²	67	29.6 Å²	29.6	35%	0.351	16%	0.163	S	C	.	.	I	π-helix	trans	-105.8	-27.7	-166.7	-57	174.5	0	0	0	113.9	L107 L139	L107-L111 HydrophobicContact CB-CD1 4.44Å; L107-L111 HydrophobicContact CD2-CD1 4.12Å; L107-L111 WeakPolarHBondContact O-CB 3.36Å; L107-L111 PolarHBondContact O-N 3.35Å; L111-L139 HydrophobicContact CB-CD2 3.63Å; L111-L139 HydrophobicContact CD1-CD2 3.91Å; L111-L139 HydrophobicContact CG-CD2 4.32Å
112	I	96.2	Very high	95.1	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.187	C	C	.	.	I	π-helix	trans	-103.8	-49.8	-172.8	-54.5	-54.4	0	0	0	111.5	V108 L115 S116 W136 L139 N140 L143 Y493	V108-I112 HydrophobicContact CG1-CB 4.17Å; V108-I112 WeakPolarHBondContact O-CA 3.42Å; V108-I112 WeakPolarHBondContact O-CB 3.39Å; V108-I112 PolarHBondContact O-N 2.94Å; I112-L115 PolarHBondContact O-N 3.38Å; I112-S116 WeakPolarHBondContact O-CB 3.48Å; I112-S116 PolarHBondContact O-N 3.49Å; I112-W136 PolarHBondContact O-NE1 3.04Å; I112-L139 HydrophobicContact CD1-CB 4.03Å; I112-L139 HydrophobicContact CD1-CD2 3.91Å; I112-L139 HydrophobicContact CD1-CG 3.85Å; I112-N140 HydrophobicContact CD1-CB 3.95Å; I112-N140 HydrophobicContact CG1-CB 4.42Å; I112-N140 HydrophobicContact CG2-CB 4.17Å; I112-L143 HydrophobicContact CD1-CD1 4.19Å; I112-L143 HydrophobicContact CG1-CD1 3.81Å; I112-Y493 HydrophobicContact CG2-CE1 4.12Å; I112-Y493 WeakPolarHBondContact CG2-OH 3.27Å
113	L	96.2	Very high	94.5	Very high	2 Å²	2	38 Å²	38	1%	0.01	21%	0.211	C	C	.	.	H	α-helix	trans	-63.4	-41.9	-172.3	-59.8	-174	0	0	0	113.9	I73 V108 A109 L115 S116 I117 W490 Y493	I73-L113 HydrophobicContact CD1-CD1 3.68Å; V108-L113 HydrophobicContact CG1-CD2 4.16Å; V108-L113 HydrophobicContact CG1-CG 4.18Å; V108-L113 PolarHBondContact O-N 3.06Å; A109-L113 HydrophobicContact CB-CD1 4.19Å; L113-L115 PolarHBondContact O-N 3.46Å; L113-S116 WeakPolarHBondContact O-CB 3.27Å; L113-S116 PolarHBondContact O-N 3.24Å; L113-I117 VanDerWaalsContact O-CG1 3.28Å; L113-I117 WeakPolarHBondContact O-CG1 3.45Å; L113-I117 PolarHBondContact O-N 2.7Å; L113-W490 HydrophobicContact CD2-CH2 4.02Å; L113-W490 HydrophobicContact CD2-CZ3 3.99Å; L113-Y493 HydrophobicContact CD2-CD1 4.26Å; L113-Y493 HydrophobicContact CD2-CD2 3.54Å; L113-Y493 HydrophobicContact CD2-CE2 3.99Å; L113-Y493 HydrophobicContact CD2-CG 3.7Å
114	P	95.6	Very high	93.9	Very high	64 Å²	64	38.2 Å²	38.2	42%	0.416	21%	0.21	S	C	.	.	H	α-helix	trans	-60.7	-44.8	-179.7	-25.8	36.8	0	0	0	112.4	A109 S116 I117 M118	A109-P114 WeakPolarHBondContact O-CD 3.34Å; P114-S116 VanDerWaalsContact C-N 3.35Å; P114-S116 PolarHBondContact O-N 3.41Å; P114-I117 PolarHBondContact O-N 2.86Å; P114-M118 VanDerWaalsContact O-CG 3.28Å; P114-M118 WeakPolarHBondContact O-CG 3.13Å; P114-M118 PolarHBondContact O-N 2.92Å
115	L	93.4	Very high	93.4	Very high	33 Å²	33	38.4 Å²	38.4	17%	0.173	21%	0.21	C	C	.	.	H	α-helix	trans	-65.8	-37.5	176.3	-73	166.4	0	0	0	111.9	I112 L113 M118 R119 W125 Y127 L132 W136	I112-L115 PolarHBondContact O-N 3.38Å; L113-L115 PolarHBondContact O-N 3.46Å; L115-M118 PolarHBondContact O-N 3.41Å; L115-R119 PolarHBondContact O-N 3.46Å; L115-W125 HydrophobicContact CD2-CH2 4.18Å; L115-Y127 HydrophobicContact CD2-CD2 4.28Å; L115-Y127 HydrophobicContact CD2-CE2 3.48Å; L115-Y127 VanDerWaalsContact CD2-CE2 3.48Å; L115-L132 HydrophobicContact CD2-CD2 4.36Å; L115-W136 HydrophobicContact CB-CG 4.23Å; L115-W136 HydrophobicContact CD1-CB 4.2Å; L115-W136 VanDerWaalsContact CD1-CD1 3.48Å; L115-W136 HydrophobicContact CD1-CG 3.99Å
116	S	92.8	Very high	92.9	Very high	3 Å²	3	40.1 Å²	40.1	2%	0.021	22%	0.222	C	C	.	.	H	α-helix	trans	-63.9	-40.6	174.9	-166.2	0	0	0	0	112.6	I112 L113 P114 Q120	I112-S116 WeakPolarHBondContact O-CB 3.48Å; I112-S116 PolarHBondContact O-N 3.49Å; L113-S116 WeakPolarHBondContact O-CB 3.27Å; L113-S116 PolarHBondContact O-N 3.24Å; P114-S116 VanDerWaalsContact C-N 3.35Å; P114-S116 PolarHBondContact O-N 3.41Å; S116-Q120 PolarHBondContact O-N 2.92Å
117	I	94.1	Very high	92.4	Very high	22 Å²	22	42.6 Å²	42.6	11%	0.113	23%	0.23	C	C	.	.	H	α-helix	trans	-68.5	-43.3	177.5	-68.1	163.8	0	0	0	109.8	I63 Q66 I67 L113 P114 R119 Q120 V121 W490	I63-I117 HydrophobicContact CG2-CG2 4.27Å; Q66-I117 HydrophobicContact CB-CD1 4.33Å; Q66-I117 HydrophobicContact CB-CG1 4.04Å; I67-I117 HydrophobicContact CD1-CG2 4.5Å; I67-I117 HydrophobicContact CG1-CD1 4.02Å; I67-I117 HydrophobicContact CG1-CG2 4.09Å; L113-I117 VanDerWaalsContact O-CG1 3.28Å; L113-I117 WeakPolarHBondContact O-CG1 3.45Å; L113-I117 PolarHBondContact O-N 2.7Å; P114-I117 PolarHBondContact O-N 2.86Å; I117-R119 VanDerWaalsContact C-N 3.35Å; I117-R119 PolarHBondContact O-N 3.43Å; I117-Q120 WeakPolarHBondContact O-CA 3.5Å; I117-Q120 WeakPolarHBondContact O-CB 3.35Å; I117-Q120 PolarHBondContact O-N 2.89Å; I117-V121 HydrophobicContact CG2-CG2 4.22Å; I117-V121 WeakPolarHBondContact O-CG2 3.37Å; I117-V121 PolarHBondContact O-N 3.39Å; I117-W490 HydrophobicContact CD1-CH2 4.18Å; I117-W490 HydrophobicContact CG1-CH2 3.77Å; I117-W490 HydrophobicContact CG1-CZ2 3.88Å
118	M	92.8	Very high	91.5	Very high	68 Å²	68	48.3 Å²	48.3	34%	0.335	26%	0.255	S	S	.	.	H	α-helix	trans	-60	-44.6	177.1	-70.5	-62.5	-78.2	0	0	111.7	P114 L115 Q120 V121 Y122	P114-M118 VanDerWaalsContact O-CG 3.28Å; P114-M118 WeakPolarHBondContact O-CG 3.13Å; P114-M118 PolarHBondContact O-N 2.92Å; L115-M118 PolarHBondContact O-N 3.41Å; M118-Q120 VanDerWaalsContact C-N 3.26Å; M118-Q120 PolarHBondContact O-N 3.42Å; M118-V121 PolarHBondContact O-N 3.39Å; M118-Y122 HydrophobicContact CE-CD2 4.48Å; M118-Y122 HydrophobicContact CE-CE2 3.68Å; M118-Y122 WeakPolarHBondContact O-CD2 3.41Å; M118-Y122 PolarHBondContact O-N 3.21Å; M118-Y122 VanDerWaalsContact O-N 3.11Å
119	R	89.4	Confident	90.9	Very high	22 Å²	22	50.5 Å²	50.5	8%	0.083	27%	0.271	C	S	.	.	H	α-helix	trans	-56.6	-40.2	172.4	177	-175.4	164.8	163.1	2.9	112.4	L115 I117 G123 H124 W125 C208 Y209 E482	L115-R119 PolarHBondContact O-N 3.46Å; I117-R119 VanDerWaalsContact C-N 3.35Å; I117-R119 PolarHBondContact O-N 3.43Å; R119-G123 PolarHBondContact O-N 3.43Å; R119-H124 PolarHBondContact O-N 2.96Å; R119-W125 HydrophobicContact CB-CE3 4.41Å; R119-C208 PolarHBondContact NH1-O 2.95Å; R119-Y209 VanDerWaalsContact NH2-CD1 3.34Å; R119-E482 IonicContact CZ-OE1 3.25Å; R119-E482 IonicContact NE-OE1 2.84Å; R119-E482 IonicContact NH2-OE1 3.44Å; R119-E482 PolarHBondContact NH2-OE1 3.17Å
120	Q	89.4	Confident	90.1	Very high	41 Å²	41	54.2 Å²	54.2	19%	0.192	29%	0.286	C	S	.	.	H	α-helix	trans	-68.5	-37.6	178	-175.3	65	66.2	0	0	112.6	I63 S116 I117 M118 G123 M486	I63-Q120 HydrophobicContact CD1-CG 4.35Å; I63-Q120 HydrophobicContact CG1-CG 3.81Å; S116-Q120 PolarHBondContact O-N 2.92Å; I117-Q120 WeakPolarHBondContact O-CA 3.5Å; I117-Q120 WeakPolarHBondContact O-CB 3.35Å; I117-Q120 PolarHBondContact O-N 2.89Å; M118-Q120 VanDerWaalsContact C-N 3.26Å; M118-Q120 PolarHBondContact O-N 3.42Å; Q120-G123 PolarHBondContact O-N 3.32Å; Q120-M486 HydrophobicContact CB-CE 4.45Å
121	V	91.3	Very high	89.5	Confident	76 Å²	76	57.8 Å²	57.8	46%	0.461	30%	0.299	S	S	.	.	H	α-helix	trans	-65.1	-45.8	179.3	169.2	0	0	0	0	111.3	I63 I117 M118	I63-V121 HydrophobicContact CD1-CG2 3.92Å; I63-V121 HydrophobicContact CG1-CG2 4.34Å; I63-V121 HydrophobicContact CG2-CG2 4Å; I117-V121 HydrophobicContact CG2-CG2 4.22Å; I117-V121 WeakPolarHBondContact O-CG2 3.37Å; I117-V121 PolarHBondContact O-N 3.39Å; M118-V121 PolarHBondContact O-N 3.39Å
122	Y	89.6	Confident	89.1	Confident	128 Å²	128	57.3 Å²	57.3	50%	0.502	30%	0.296	S	S	.	.	H	α-helix	trans	-81.6	-15.3	179.6	-74.3	-85.7	0	0	0	113.2	M118 H124 P126	M118-Y122 HydrophobicContact CE-CD2 4.48Å; M118-Y122 HydrophobicContact CE-CE2 3.68Å; M118-Y122 WeakPolarHBondContact O-CD2 3.41Å; M118-Y122 PolarHBondContact O-N 3.21Å; M118-Y122 VanDerWaalsContact O-N 3.11Å; Y122-H124 PolarHBondContact O-CD2 3.39Å; Y122-H124 PolarHBondContact O-N 2.93Å; Y122-H124 VanDerWaalsContact O-N 3.16Å; Y122-P126 HydrophobicContact CD1-CB 4.22Å; Y122-P126 HydrophobicContact CD2-CB 3.73Å; Y122-P126 HydrophobicContact CD2-CG 3.78Å; Y122-P126 HydrophobicContact CE2-CB 4.15Å; Y122-P126 HydrophobicContact CE2-CG 4.25Å; Y122-P126 HydrophobicContact CG-CB 3.78Å; Y122-P126 HydrophobicContact CG-CG 4.24Å
123	G	85.2	Confident	88.7	Confident	51 Å²	51	57.3 Å²	57.3	53%	0.526	30%	0.296	S	S	.	.	S	Bend	trans	72.8	-4.9	-173	0	0	0	0	0	114	R119 Q120	R119-G123 PolarHBondContact O-N 3.43Å; Q120-G123 PolarHBondContact O-N 3.32Å
124	H	85.7	Confident	88.2	Confident	76 Å²	76	58.2 Å²	58.2	35%	0.352	30%	0.302	S	S	.	.	S	Bend	trans	-144.9	172.3	176.8	69.7	83.3	0	0	0	109.6	R119 Y122 P126	R119-H124 PolarHBondContact O-N 2.96Å; Y122-H124 PolarHBondContact O-CD2 3.39Å; Y122-H124 PolarHBondContact O-N 2.93Å; Y122-H124 VanDerWaalsContact O-N 3.16Å; H124-P126 VanDerWaalsContact O-CD 3.23Å; H124-P126 WeakPolarHBondContact O-CD 3.28Å
125	W	87.4	Confident	87.8	Confident	4 Å²	4	61.1 Å²	61.1	2%	0.015	31%	0.306	C	S	.	.			trans	-73	114.2	171.3	-175.1	-106.8	0	0	0	109.6	L115 R119 Y127 L132 C133 W136 C208	L115-W125 HydrophobicContact CD2-CH2 4.18Å; R119-W125 HydrophobicContact CB-CE3 4.41Å; W125-Y127 VanDerWaalsContact C-N 3.34Å; W125-Y127 HydrophobicContact CD2-CD2 4.02Å; W125-Y127 AromaticContact CE2-CD2 3.66Å; W125-Y127 HydrophobicContact CE3-CD2 4.31Å; W125-Y127 AromaticContact CH2-CD2 3.98Å; W125-Y127 HydrophobicContact CH2-CD2 3.98Å; W125-Y127 HydrophobicContact CH2-CE2 4.36Å; W125-Y127 AromaticContact CZ2-CD2 3.64Å; W125-Y127 HydrophobicContact CZ2-CD2 3.64Å; W125-Y127 HydrophobicContact CZ2-CE2 4.45Å; W125-Y127 HydrophobicContact CZ2-CG 4.36Å; W125-Y127 HydrophobicContact CZ3-CD2 4.3Å; W125-Y127 PolarHBondContact NE1-O 3.4Å; W125-Y127 VanDerWaalsContact NE1-O 3.1Å; W125-L132 HydrophobicContact CH2-CG 4.33Å; W125-L132 HydrophobicContact CZ2-CB 4.14Å; W125-L132 HydrophobicContact CZ2-CD2 3.94Å; W125-L132 HydrophobicContact CZ2-CG 3.8Å; W125-C133 HydrophobicContact CZ2-CB 3.99Å; W125-W136 HydrophobicContact CE3-CE3 4.36Å; W125-W136 HydrophobicContact CE3-CZ3 4.44Å; W125-W136 HydrophobicContact CH2-CB 4.06Å; W125-W136 HydrophobicContact CH2-CD2 4.05Å; W125-W136 AromaticContact CH2-CE3 3.97Å; W125-W136 HydrophobicContact CH2-CE3 3.97Å; W125-W136 HydrophobicContact CH2-CG 4.1Å; W125-W136 AromaticContact CZ3-CD2 3.86Å; W125-W136 HydrophobicContact CZ3-CD2 3.86Å; W125-W136 AromaticContact CZ3-CE3 3.58Å; W125-W136 HydrophobicContact CZ3-CE3 3.58Å; W125-W136 HydrophobicContact CZ3-CG 4.38Å; W125-W136 AromaticContact CZ3-CZ3 3.99Å; W125-W136 HydrophobicContact CZ3-CZ3 3.99Å; W125-C208 HydrophobicContact CB-CB 3.56Å; W125-C208 HydrophobicContact CD2-CB 3.58Å; W125-C208 HydrophobicContact CE3-CB 3.85Å; W125-C208 HydrophobicContact CG-CB 3.47Å; W125-C208 VanDerWaalsContact CG-CB 3.47Å
126	P	87.3	Confident	87.8	Confident	37 Å²	37	60.2 Å²	60.2	24%	0.24	30%	0.3	C	S	.	.			trans	-86.4	-6.2	-171.3	35.6	-36.1	0	0	0	113.3	Y122 H124	Y122-P126 HydrophobicContact CD1-CB 4.22Å; Y122-P126 HydrophobicContact CD2-CB 3.73Å; Y122-P126 HydrophobicContact CD2-CG 3.78Å; Y122-P126 HydrophobicContact CE2-CB 4.15Å; Y122-P126 HydrophobicContact CE2-CG 4.25Å; Y122-P126 HydrophobicContact CG-CB 3.78Å; Y122-P126 HydrophobicContact CG-CG 4.24Å; H124-P126 VanDerWaalsContact O-CD 3.23Å; H124-P126 WeakPolarHBondContact O-CD 3.28Å
127	Y	86.7	Confident	87.6	Confident	73 Å²	73	61.4 Å²	61.4	29%	0.286	31%	0.305	S	S	.	.			trans	-95.7	125.3	-176.2	-50.5	-79.9	0	0	0	110.1	L115 W125 S129 L132	L115-Y127 HydrophobicContact CD2-CD2 4.28Å; L115-Y127 HydrophobicContact CD2-CE2 3.48Å; L115-Y127 VanDerWaalsContact CD2-CE2 3.48Å; W125-Y127 VanDerWaalsContact C-N 3.34Å; W125-Y127 HydrophobicContact CD2-CD2 4.02Å; W125-Y127 AromaticContact CE2-CD2 3.66Å; W125-Y127 HydrophobicContact CE3-CD2 4.31Å; W125-Y127 AromaticContact CH2-CD2 3.98Å; W125-Y127 HydrophobicContact CH2-CD2 3.98Å; W125-Y127 HydrophobicContact CH2-CE2 4.36Å; W125-Y127 AromaticContact CZ2-CD2 3.64Å; W125-Y127 HydrophobicContact CZ2-CD2 3.64Å; W125-Y127 HydrophobicContact CZ2-CE2 4.45Å; W125-Y127 HydrophobicContact CZ2-CG 4.36Å; W125-Y127 HydrophobicContact CZ3-CD2 4.3Å; W125-Y127 PolarHBondContact NE1-O 3.4Å; W125-Y127 VanDerWaalsContact NE1-O 3.1Å; Y127-S129 PolarHBondContact O-N 2.96Å; Y127-L132 HydrophobicContact CD1-CD2 3.99Å; Y127-L132 HydrophobicContact CD2-CD2 3.9Å; Y127-L132 HydrophobicContact CE2-CD2 4.46Å; Y127-L132 HydrophobicContact CG-CD2 3.64Å
128	E	79.8	Confident	87.4	Confident	166 Å²	166	60.3 Å²	60.3	78%	0.776	30%	0.3	S	S	*	.			trans	-74.8	30.7	175.7	-58.4	-177.7	173.7	0	0	112.9	V205	E128-V205 HydrophobicContact CB-CG2 4.44Å; E128-V205 HydrophobicContact CG-CG2 4.12Å
129	S	83.9	Confident	87.4	Confident	49 Å²	49	57.7 Å²	57.7	34%	0.343	29%	0.287	S	S	.	.			trans	-120.4	110.9	-179.1	179.9	0	0	0	0	110.4	Y127 E131 L132 C133	Y127-S129 PolarHBondContact O-N 2.96Å; S129-E131 VanDerWaalsContact C-N 3.29Å; S129-L132 PolarHBondContact O-N 3.43Å; S129-L132 PolarHBondContact OG-N 2.96Å; S129-L132 VanDerWaalsContact OG-N 3.12Å; S129-C133 PolarHBondContact O-N 3.37Å
130	H	80.9	Confident	87.6	Confident	88 Å²	88	58.1 Å²	58.1	41%	0.407	29%	0.291	S	S	.	.	H	α-helix	trans	-60.7	-42	170.9	-63.8	-99.4	0	0	0	110.9	L132 C133 T134 T203 G204	H130-L132 PolarHBondContact O-N 3.15Å; H130-C133 WeakPolarHBondContact O-CB 2.99Å; H130-C133 PolarHBondContact O-N 2.93Å; H130-T134 PolarHBondContact O-N 3.24Å; H130-T134 PolarHBondContact O-OG1 2.89Å; H130-T203 HydrophobicContact CB-CG2 4.42Å; H130-T203 PolarHBondContact CE1-O 2.87Å; H130-T203 WeakPolarHBondContact ND1-CB 3.21Å; H130-T203 PolarHBondContact ND1-O 3.46Å; H130-T203 PolarHBondContact ND1-OG1 3.29Å; H130-G204 VanDerWaalsContact CE1-CA 3.5Å; H130-G204 WeakPolarHBondContact CE1-CA 3.42Å
131	E	84.3	Confident	87.8	Confident	143 Å²	143	57.6 Å²	57.6	67%	0.668	29%	0.29	S	S	*	.	H	α-helix	trans	-61.8	-41.8	179.7	-57.9	-52.5	147	0	0	112.5	S129 C133 T134 Y135	S129-E131 VanDerWaalsContact C-N 3.29Å; E131-C133 VanDerWaalsContact C-N 3.3Å; E131-C133 PolarHBondContact O-N 3.14Å; E131-T134 PolarHBondContact O-N 3.44Å; E131-Y135 VanDerWaalsContact O-CB 3.24Å; E131-Y135 WeakPolarHBondContact O-CB 3.43Å; E131-Y135 PolarHBondContact O-N 2.84Å
132	L	88.3	Confident	88	Confident	57 Å²	57	55.4 Å²	55.4	30%	0.298	27%	0.274	S	S	.	.	H	α-helix	trans	-63.7	-39.1	177.3	-173.6	65.3	0	0	0	111.3	L115 W125 Y127 S129 H130 W136	L115-L132 HydrophobicContact CD2-CD2 4.36Å; W125-L132 HydrophobicContact CH2-CG 4.33Å; W125-L132 HydrophobicContact CZ2-CB 4.14Å; W125-L132 HydrophobicContact CZ2-CD2 3.94Å; W125-L132 HydrophobicContact CZ2-CG 3.8Å; Y127-L132 HydrophobicContact CD1-CD2 3.99Å; Y127-L132 HydrophobicContact CD2-CD2 3.9Å; Y127-L132 HydrophobicContact CE2-CD2 4.46Å; Y127-L132 HydrophobicContact CG-CD2 3.64Å; S129-L132 PolarHBondContact O-N 3.43Å; S129-L132 PolarHBondContact OG-N 2.96Å; S129-L132 VanDerWaalsContact OG-N 3.12Å; H130-L132 PolarHBondContact O-N 3.15Å; L132-W136 WeakPolarHBondContact O-CB 3.49Å; L132-W136 PolarHBondContact O-N 3.38Å
133	C	88.1	Confident	88.3	Confident	1 Å²	1	49.4 Å²	49.4	1%	0.007	25%	0.25	C	S	.	.	H	α-helix	trans	-64.8	-50.5	175.9	173.5	0	0	0	0	111.4	W125 S129 H130 E131 Y135 W136 I137 T203 C208	W125-C133 HydrophobicContact CZ2-CB 3.99Å; S129-C133 PolarHBondContact O-N 3.37Å; H130-C133 WeakPolarHBondContact O-CB 2.99Å; H130-C133 PolarHBondContact O-N 2.93Å; E131-C133 VanDerWaalsContact C-N 3.3Å; E131-C133 PolarHBondContact O-N 3.14Å; C133-Y135 VanDerWaalsContact C-N 3.33Å; C133-Y135 PolarHBondContact O-N 3.42Å; C133-W136 PolarHBondContact O-N 2.91Å; C133-I137 WeakPolarHBondContact O-CG1 3.46Å; C133-I137 PolarHBondContact O-N 3.3Å; C133-T203 HydrophobicContact CB-CG2 3.98Å; C133-C208 HydrophobicContact CB-CB 3.92Å; C133-C208 WeakPolarHBondContact CB-SG 2.94Å; C133-C208 WeakPolarHBondContact SG-CA 3.48Å; C133-C208 WeakPolarHBondContact SG-CB 3.22Å; C133-C208 CovalentContact SG-SG 2.02Å; C133-C208 PolarHBondContact SG-SG 3.44Å
134	T	86	Confident	88.8	Confident	21 Å²	21	47.9 Å²	47.9	13%	0.129	23%	0.231	C	C	.	.	H	α-helix	trans	-57.6	-47	177.7	-62.2	0	0	0	0	110.8	H130 E131 I137 S138	H130-T134 PolarHBondContact O-N 3.24Å; H130-T134 PolarHBondContact O-OG1 2.89Å; E131-T134 PolarHBondContact O-N 3.44Å; T134-I137 PolarHBondContact O-N 3.31Å; T134-S138 VanDerWaalsContact O-CB 3.23Å; T134-S138 WeakPolarHBondContact O-CB 3.31Å; T134-S138 PolarHBondContact O-N 3.47Å; T134-S138 PolarHBondContact O-OG 3.06Å
135	Y	88.2	Confident	89.2	Confident	125 Å²	125	44.3 Å²	44.3	49%	0.49	22%	0.215	S	C	.	.	H	α-helix	trans	-62.8	-44.6	177.2	-179.1	-100.5	0	0	0	112	E131 C133 S138 L139	E131-Y135 VanDerWaalsContact O-CB 3.24Å; E131-Y135 WeakPolarHBondContact O-CB 3.43Å; E131-Y135 PolarHBondContact O-N 2.84Å; C133-Y135 VanDerWaalsContact C-N 3.33Å; C133-Y135 PolarHBondContact O-N 3.42Å; Y135-S138 PolarHBondContact O-N 2.89Å; Y135-L139 HydrophobicContact CE1-CB 4.47Å; Y135-L139 HydrophobicContact CE1-CD2 3.75Å; Y135-L139 WeakPolarHBondContact O-CB 3.47Å; Y135-L139 PolarHBondContact O-N 2.66Å
136	W	91.3	Very high	89.7	Confident	14 Å²	14	44.1 Å²	44.1	5%	0.053	21%	0.214	C	C	.	.	H	α-helix	trans	-61.8	-45.8	179.2	173.6	65.7	0	0	0	112.2	I112 L115 W125 L132 C133 L139 N140	I112-W136 PolarHBondContact O-NE1 3.04Å; L115-W136 HydrophobicContact CB-CG 4.23Å; L115-W136 HydrophobicContact CD1-CB 4.2Å; L115-W136 VanDerWaalsContact CD1-CD1 3.48Å; L115-W136 HydrophobicContact CD1-CG 3.99Å; W125-W136 HydrophobicContact CE3-CE3 4.36Å; W125-W136 HydrophobicContact CE3-CZ3 4.44Å; W125-W136 HydrophobicContact CH2-CB 4.06Å; W125-W136 HydrophobicContact CH2-CD2 4.05Å; W125-W136 AromaticContact CH2-CE3 3.97Å; W125-W136 HydrophobicContact CH2-CE3 3.97Å; W125-W136 HydrophobicContact CH2-CG 4.1Å; W125-W136 AromaticContact CZ3-CD2 3.86Å; W125-W136 HydrophobicContact CZ3-CD2 3.86Å; W125-W136 AromaticContact CZ3-CE3 3.58Å; W125-W136 HydrophobicContact CZ3-CE3 3.58Å; W125-W136 HydrophobicContact CZ3-CG 4.38Å; W125-W136 AromaticContact CZ3-CZ3 3.99Å; W125-W136 HydrophobicContact CZ3-CZ3 3.99Å; L132-W136 WeakPolarHBondContact O-CB 3.49Å; L132-W136 PolarHBondContact O-N 3.38Å; C133-W136 PolarHBondContact O-N 2.91Å; W136-L139 PolarHBondContact O-N 3.46Å; W136-N140 WeakPolarHBondContact O-CB 3.48Å; W136-N140 PolarHBondContact O-N 2.93Å
137	I	88.9	Confident	90.2	Very high	27 Å²	27	42.5 Å²	42.5	14%	0.138	20%	0.204	C	C	.	.	H	α-helix	trans	-65.2	-45.1	176.8	-65	172.6	0	0	0	110.7	C133 T134 L139 N140 L141 H201 A210	C133-I137 WeakPolarHBondContact O-CG1 3.46Å; C133-I137 PolarHBondContact O-N 3.3Å; T134-I137 PolarHBondContact O-N 3.31Å; I137-L139 PolarHBondContact O-N 3.38Å; I137-N140 WeakPolarHBondContact O-CB 3.41Å; I137-N140 PolarHBondContact O-N 2.97Å; I137-L141 PolarHBondContact O-N 2.95Å; I137-H201 VanDerWaalsContact CG2-CE1 3.46Å; I137-H201 WeakPolarHBondContact CG2-CE1 3.27Å; I137-A210 HydrophobicContact CG2-CB 4.18Å
138	S	90.7	Very high	90.6	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-61.1	-44.8	178.5	-58	0	0	0	0	111.4	T134 Y135 L141 F142 M192 P195 I196	T134-S138 VanDerWaalsContact O-CB 3.23Å; T134-S138 WeakPolarHBondContact O-CB 3.31Å; T134-S138 PolarHBondContact O-N 3.47Å; T134-S138 PolarHBondContact O-OG 3.06Å; Y135-S138 PolarHBondContact O-N 2.89Å; S138-L141 WeakPolarHBondContact O-CB 3.05Å; S138-L141 PolarHBondContact O-N 3.03Å; S138-F142 WeakPolarHBondContact O-CB 3.32Å; S138-F142 PolarHBondContact O-N 2.9Å; S138-M192 WeakPolarHBondContact O-CG 3.43Å; S138-P195 WeakPolarHBondContact OG-CB 3.41Å; S138-I196 WeakPolarHBondContact OG-CG1 3.18Å
139	L	93.1	Very high	91.4	Very high	13 Å²	13	33.3 Å²	33.3	7%	0.068	16%	0.164	C	C	.	.	H	α-helix	trans	-67.1	-37.4	179.6	-173.6	69.1	0	0	0	111.8	L111 I112 Y135 W136 I137 F142 L143	L111-L139 HydrophobicContact CB-CD2 3.63Å; L111-L139 HydrophobicContact CD1-CD2 3.91Å; L111-L139 HydrophobicContact CG-CD2 4.32Å; I112-L139 HydrophobicContact CD1-CB 4.03Å; I112-L139 HydrophobicContact CD1-CD2 3.91Å; I112-L139 HydrophobicContact CD1-CG 3.85Å; Y135-L139 HydrophobicContact CE1-CB 4.47Å; Y135-L139 HydrophobicContact CE1-CD2 3.75Å; Y135-L139 WeakPolarHBondContact O-CB 3.47Å; Y135-L139 PolarHBondContact O-N 2.66Å; W136-L139 PolarHBondContact O-N 3.46Å; I137-L139 PolarHBondContact O-N 3.38Å; L139-F142 HydrophobicContact CD1-CD1 3.97Å; L139-F142 WeakPolarHBondContact O-CB 3.5Å; L139-F142 PolarHBondContact O-N 2.99Å; L139-L143 HydrophobicContact CD1-CD1 4.42Å; L139-L143 HydrophobicContact CD1-CG 4.44Å; L139-L143 HydrophobicContact CG-CD1 4.1Å; L139-L143 HydrophobicContact CG-CG 4.47Å; L139-L143 WeakPolarHBondContact O-CG 3.46Å; L139-L143 PolarHBondContact O-N 3.44Å
140	N	93.7	Very high	92.1	Very high	30 Å²	30	31 Å²	31	16%	0.16	15%	0.148	C	C	.	.	H	α-helix	trans	-59.6	-50.1	172.8	-174.4	33.1	0	0	0	110.3	I112 W136 I137 F142 L143 C144 Y493	I112-N140 HydrophobicContact CD1-CB 3.95Å; I112-N140 HydrophobicContact CG1-CB 4.42Å; I112-N140 HydrophobicContact CG2-CB 4.17Å; W136-N140 WeakPolarHBondContact O-CB 3.48Å; W136-N140 PolarHBondContact O-N 2.93Å; I137-N140 WeakPolarHBondContact O-CB 3.41Å; I137-N140 PolarHBondContact O-N 2.97Å; N140-F142 VanDerWaalsContact C-N 3.3Å; N140-F142 PolarHBondContact O-N 3.49Å; N140-L143 PolarHBondContact O-N 3.43Å; N140-C144 WeakPolarHBondContact O-CB 2.92Å; N140-C144 PolarHBondContact O-N 3.02Å; N140-C144 PolarHBondContact O-SG 3.27Å; N140-C144 PolarHBondContact OD1-SG 3.21Å; N140-C144 VanDerWaalsContact OD1-SG 3.39Å; N140-Y493 PolarHBondContact ND2-OH 3.09Å; N140-Y493 VanDerWaalsContact ND2-OH 3.14Å; N140-Y493 WeakPolarHBondContact OD1-CE1 3.39Å; N140-Y493 PolarHBondContact OD1-OH 3.32Å
141	L	92.5	Very high	92.8	Very high	31 Å²	31	27 Å²	27	16%	0.162	13%	0.129	C	C	.	.	H	α-helix	trans	-58.3	-42.7	177.1	-179.6	60.6	0	0	0	112	I137 S138 S145 I191 P195 I220 T224	I137-L141 PolarHBondContact O-N 2.95Å; S138-L141 WeakPolarHBondContact O-CB 3.05Å; S138-L141 PolarHBondContact O-N 3.03Å; L141-S145 WeakPolarHBondContact O-CB 3.35Å; L141-S145 PolarHBondContact O-N 2.91Å; L141-S145 PolarHBondContact O-OG 3.21Å; L141-I191 HydrophobicContact CD1-CG2 4.14Å; L141-I191 HydrophobicContact CD2-CG2 3.89Å; L141-I191 HydrophobicContact CG-CG2 3.88Å; L141-P195 HydrophobicContact CD2-CG 3.76Å; L141-I220 HydrophobicContact CD1-CG2 3.64Å; L141-I220 HydrophobicContact CD2-CD1 4.14Å; L141-I220 HydrophobicContact CD2-CG2 4.32Å; L141-T224 HydrophobicContact CD1-CG2 4.06Å
142	F	95.5	Very high	93.4	Very high	30 Å²	30	20.9 Å²	20.9	13%	0.132	10%	0.102	C	C	.	.	H	α-helix	trans	-59.2	-53.1	175.9	169.6	-115.3	0	0	0	112.5	S138 L139 N140 S145 A146 W185 F189 M192	S138-F142 WeakPolarHBondContact O-CB 3.32Å; S138-F142 PolarHBondContact O-N 2.9Å; L139-F142 HydrophobicContact CD1-CD1 3.97Å; L139-F142 WeakPolarHBondContact O-CB 3.5Å; L139-F142 PolarHBondContact O-N 2.99Å; N140-F142 VanDerWaalsContact C-N 3.3Å; N140-F142 PolarHBondContact O-N 3.49Å; F142-S145 PolarHBondContact O-N 3.24Å; F142-A146 WeakPolarHBondContact O-CB 3.26Å; F142-A146 PolarHBondContact O-N 3.25Å; F142-W185 HydrophobicContact CE1-CE3 4.17Å; F142-W185 AromaticContact CE1-CZ3 3.87Å; F142-W185 HydrophobicContact CE1-CZ3 3.87Å; F142-W185 HydrophobicContact CE2-CE3 4.16Å; F142-W185 AromaticContact CZ-CE3 3.52Å; F142-W185 HydrophobicContact CZ-CE3 3.52Å; F142-W185 AromaticContact CZ-CZ3 3.71Å; F142-W185 HydrophobicContact CZ-CZ3 3.71Å; F142-F189 HydrophobicContact CD2-CB 4.24Å; F142-F189 HydrophobicContact CE2-CB 3.82Å; F142-F189 HydrophobicContact CE2-CD2 4.35Å; F142-M192 HydrophobicContact CB-CB 4Å; F142-M192 HydrophobicContact CB-CG 3.96Å; F142-M192 HydrophobicContact CB-SD 3.62Å; F142-M192 HydrophobicContact CD1-SD 4.46Å; F142-M192 HydrophobicContact CD2-SD 4.39Å; F142-M192 HydrophobicContact CG-SD 3.92Å
143	L	96.6	Very high	93.9	Very high	1 Å²	1	19 Å²	19	1%	0.005	9%	0.093	C	C	.	.	H	α-helix	trans	-69.5	-39.3	-174.8	-69.5	173.9	0	0	0	112.1	L107 V108 I112 L139 N140 A146 S147 W185	L107-L143 HydrophobicContact CB-CD1 3.96Å; L107-L143 HydrophobicContact CB-CD2 3.69Å; L107-L143 HydrophobicContact CB-CG 4.5Å; L107-L143 HydrophobicContact CD1-CD2 3.93Å; L107-L143 HydrophobicContact CG-CD2 4.49Å; V108-L143 HydrophobicContact CG2-CB 3.75Å; V108-L143 HydrophobicContact CG2-CD1 4.14Å; I112-L143 HydrophobicContact CD1-CD1 4.19Å; I112-L143 HydrophobicContact CG1-CD1 3.81Å; L139-L143 HydrophobicContact CD1-CD1 4.42Å; L139-L143 HydrophobicContact CD1-CG 4.44Å; L139-L143 HydrophobicContact CG-CD1 4.1Å; L139-L143 HydrophobicContact CG-CG 4.47Å; L139-L143 WeakPolarHBondContact O-CG 3.46Å; L139-L143 PolarHBondContact O-N 3.44Å; N140-L143 PolarHBondContact O-N 3.43Å; L143-A146 WeakPolarHBondContact O-CB 3.34Å; L143-A146 PolarHBondContact O-N 3.48Å; L143-S147 PolarHBondContact O-N 3.38Å; L143-W185 HydrophobicContact CD2-CZ3 4.31Å
144	C	94.8	Very high	94.3	Very high	19 Å²	19	19.2 Å²	19.2	13%	0.128	9%	0.094	C	C	.	.	H	α-helix	trans	-63.2	-43.9	173.4	-65.5	0	0	0	0	111.2	N140 A146 S147 T148 W463	N140-C144 WeakPolarHBondContact O-CB 2.92Å; N140-C144 PolarHBondContact O-N 3.02Å; N140-C144 PolarHBondContact O-SG 3.27Å; N140-C144 PolarHBondContact OD1-SG 3.21Å; N140-C144 VanDerWaalsContact OD1-SG 3.39Å; C144-A146 VanDerWaalsContact C-N 3.27Å; C144-A146 PolarHBondContact O-N 2.91Å; C144-S147 PolarHBondContact O-N 2.96Å; C144-T148 PolarHBondContact O-N 3.04Å; C144-T148 PolarHBondContact O-OG1 3.32Å; C144-T148 VanDerWaalsContact O-OG1 3.1Å; C144-W463 HydrophobicContact CB-CH2 4.05Å; C144-W463 HydrophobicContact CB-CZ2 4.2Å; C144-W463 WeakPolarHBondContact SG-CH2 3.46Å; C144-W463 VanDerWaalsContact SG-CZ2 3.53Å
145	S	95.7	Very high	94.8	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.007	9%	0.088	C	C	.	.	H	α-helix	trans	-62.1	-36	174.2	-59.9	0	0	0	0	111.9	L141 F142 T148 F149 S188 T224	L141-S145 WeakPolarHBondContact O-CB 3.35Å; L141-S145 PolarHBondContact O-N 2.91Å; L141-S145 PolarHBondContact O-OG 3.21Å; F142-S145 PolarHBondContact O-N 3.24Å; S145-T148 PolarHBondContact O-N 3.01Å; S145-F149 WeakPolarHBondContact O-CD2 3.39Å; S145-F149 PolarHBondContact O-N 3.5Å; S145-S188 PolarHBondContact O-OG 2.99Å; S145-T224 WeakPolarHBondContact OG-CG2 3.23Å
146	A	97.6	Very high	95.1	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-64.2	-45.3	175.8	0	0	0	0	0	110.9	F142 L143 C144 T148 F149 N150 W185 S188	F142-A146 WeakPolarHBondContact O-CB 3.26Å; F142-A146 PolarHBondContact O-N 3.25Å; L143-A146 WeakPolarHBondContact O-CB 3.34Å; L143-A146 PolarHBondContact O-N 3.48Å; C144-A146 VanDerWaalsContact C-N 3.27Å; C144-A146 PolarHBondContact O-N 2.91Å; A146-T148 PolarHBondContact O-N 3.38Å; A146-F149 PolarHBondContact O-N 2.99Å; A146-N150 WeakPolarHBondContact O-CB 3.21Å; A146-N150 PolarHBondContact O-N 3.48Å; A146-N150 PolarHBondContact O-ND2 3.47Å; A146-W185 HydrophobicContact CB-CD2 4.38Å; A146-W185 HydrophobicContact CB-CE3 3.92Å; A146-W185 HydrophobicContact CB-CH2 4.2Å; A146-W185 HydrophobicContact CB-CZ3 3.84Å; A146-S188 WeakPolarHBondContact CA-OG 3.2Å; A146-S188 PolarHBondContact N-OG 2.96Å
147	S	96.5	Very high	95.3	Very high	4 Å²	4	14.4 Å²	14.4	3%	0.028	8%	0.079	C	C	.	.	H	α-helix	trans	-60.5	-43.9	174	-68.9	0	0	0	0	111.5	S104 D105 L143 C144 N150 I151	S104-S147 WeakPolarHBondContact CB-OG 3.21Å; S104-S147 PolarHBondContact OG-OG 2.76Å; D105-S147 PolarHBondContact OD1-OG 3.39Å; L143-S147 PolarHBondContact O-N 3.38Å; C144-S147 PolarHBondContact O-N 2.96Å; S147-N150 PolarHBondContact O-N 3.31Å; S147-I151 WeakPolarHBondContact O-CG1 3.28Å; S147-I151 PolarHBondContact O-N 3.37Å
148	T	96.3	Very high	95.6	Very high	8 Å²	8	13.3 Å²	13.3	5%	0.049	7%	0.073	C	C	.	.	H	α-helix	trans	-58.5	-53.3	176.4	-50.2	0	0	0	0	112.4	C144 S145 A146 N150 I151 C152 T224 P228 F459	C144-T148 PolarHBondContact O-N 3.04Å; C144-T148 PolarHBondContact O-OG1 3.32Å; C144-T148 VanDerWaalsContact O-OG1 3.1Å; S145-T148 PolarHBondContact O-N 3.01Å; A146-T148 PolarHBondContact O-N 3.38Å; T148-N150 VanDerWaalsContact C-N 3.3Å; T148-N150 PolarHBondContact O-N 2.96Å; T148-I151 WeakPolarHBondContact O-CA 3.36Å; T148-I151 WeakPolarHBondContact O-CB 3.48Å; T148-I151 PolarHBondContact O-N 3.46Å; T148-C152 PolarHBondContact O-N 3.01Å; T148-C152 PolarHBondContact O-SG 2.84Å; T148-T224 WeakPolarHBondContact CG2-O 3.23Å; T148-T224 PolarHBondContact OG1-O 2.86Å; T148-P228 HydrophobicContact CG2-CB 3.32Å; T148-P228 HydrophobicContact CG2-CG 3.84Å; T148-F459 HydrophobicContact CG2-CE1 4.19Å; T148-F459 HydrophobicContact CG2-CZ 4.02Å; T148-F459 WeakPolarHBondContact OG1-CZ 3.42Å
149	F	97.2	Very high	95.8	Very high	38 Å²	38	16.8 Å²	16.8	17%	0.167	9%	0.087	C	C	.	.	H	α-helix	trans	-70	-28.5	-176.2	-66.3	-36.9	0	0	0	112.6	S145 A146 C152 C153 A184 A187 S188 I191 P228	S145-F149 WeakPolarHBondContact O-CD2 3.39Å; S145-F149 PolarHBondContact O-N 3.5Å; A146-F149 PolarHBondContact O-N 2.99Å; F149-C152 WeakPolarHBondContact O-CB 3.33Å; F149-C152 PolarHBondContact O-N 3.07Å; F149-C153 PolarHBondContact O-N 3.48Å; F149-C153 PolarHBondContact O-SG 3.22Å; F149-A184 HydrophobicContact CB-CB 3.71Å; F149-A187 HydrophobicContact CD2-CB 3.74Å; F149-A187 HydrophobicContact CE2-CB 3.67Å; F149-A187 HydrophobicContact CZ-CB 4.45Å; F149-S188 VanDerWaalsContact CD2-OG 3.31Å; F149-S188 WeakPolarHBondContact CD2-OG 3.39Å; F149-I191 HydrophobicContact CE2-CD1 3.62Å; F149-I191 HydrophobicContact CZ-CD1 3.63Å; F149-P228 HydrophobicContact CE1-CG 3.99Å
150	N	97.6	Very high	95.9	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-62.6	-42	168	-84.3	-71.3	0	0	0	111.4	S100 L101 A146 S147 T148 C152 C153 I154	S100-N150 WeakPolarHBondContact CB-OD1 3.16Å; S100-N150 PolarHBondContact OG-ND2 3.45Å; S100-N150 PolarHBondContact OG-OD1 3.28Å; L101-N150 HydrophobicContact CB-CB 4.29Å; L101-N150 HydrophobicContact CD1-CB 4.16Å; A146-N150 WeakPolarHBondContact O-CB 3.21Å; A146-N150 PolarHBondContact O-N 3.48Å; A146-N150 PolarHBondContact O-ND2 3.47Å; S147-N150 PolarHBondContact O-N 3.31Å; T148-N150 VanDerWaalsContact C-N 3.3Å; T148-N150 PolarHBondContact O-N 2.96Å; N150-C152 VanDerWaalsContact C-N 3.34Å; N150-C152 PolarHBondContact O-N 3.04Å; N150-C153 WeakPolarHBondContact O-CB 3.37Å; N150-C153 PolarHBondContact O-N 3.18Å; N150-I154 VanDerWaalsContact O-CG1 3.26Å; N150-I154 WeakPolarHBondContact O-CG1 3.5Å; N150-I154 PolarHBondContact O-N 2.7Å
151	I	96.3	Very high	95.9	Very high	4 Å²	4	18.1 Å²	18.1	2%	0.021	9%	0.093	C	C	.	.	H	α-helix	trans	-61.9	-40.8	173.9	-68.7	170	0	0	0	111.3	L101 S147 T148 C153 I154 S155 V232 V456 F459	L101-I151 HydrophobicContact CD1-CG1 4.16Å; L101-I151 HydrophobicContact CD2-CG1 4.29Å; S147-I151 WeakPolarHBondContact O-CG1 3.28Å; S147-I151 PolarHBondContact O-N 3.37Å; T148-I151 WeakPolarHBondContact O-CA 3.36Å; T148-I151 WeakPolarHBondContact O-CB 3.48Å; T148-I151 PolarHBondContact O-N 3.46Å; I151-C153 PolarHBondContact O-N 3.32Å; I151-I154 PolarHBondContact O-N 2.91Å; I151-S155 WeakPolarHBondContact O-CB 3.37Å; I151-S155 PolarHBondContact O-N 3.35Å; I151-S155 PolarHBondContact O-OG 3.32Å; I151-V232 HydrophobicContact CG2-CG1 4.35Å; I151-V232 HydrophobicContact CG2-CG2 4.3Å; I151-V456 HydrophobicContact CG2-CG2 3.6Å; I151-F459 HydrophobicContact CD1-CB 3.66Å; I151-F459 HydrophobicContact CD1-CD1 4.13Å; I151-F459 HydrophobicContact CD1-CD2 3.4Å; I151-F459 VanDerWaalsContact CD1-CD2 3.4Å; I151-F459 HydrophobicContact CD1-CE2 4.11Å; I151-F459 HydrophobicContact CD1-CG 3.44Å; I151-F459 VanDerWaalsContact CD1-CG 3.44Å
152	C	97.4	Very high	95.9	Very high	15 Å²	15	16.6 Å²	16.6	10%	0.101	9%	0.086	C	C	.	.	H	α-helix	trans	-59.1	-46.6	172.8	-63.5	0	0	0	0	111.7	T148 F149 N150 I154 S155 V156 V232	T148-C152 PolarHBondContact O-N 3.01Å; T148-C152 PolarHBondContact O-SG 2.84Å; F149-C152 WeakPolarHBondContact O-CB 3.33Å; F149-C152 PolarHBondContact O-N 3.07Å; N150-C152 VanDerWaalsContact C-N 3.34Å; N150-C152 PolarHBondContact O-N 3.04Å; C152-I154 PolarHBondContact O-N 2.71Å; C152-S155 WeakPolarHBondContact O-CB 3.35Å; C152-S155 PolarHBondContact O-N 3.4Å; C152-V156 WeakPolarHBondContact O-CG2 3.26Å; C152-V156 PolarHBondContact O-N 3.42Å; C152-V232 HydrophobicContact CB-CG2 4.42Å
153	C	97.1	Very high	95.7	Very high	17 Å²	17	16.2 Å²	16.2	12%	0.115	9%	0.085	C	C	.	.	H	α-helix	trans	-59.7	-45.4	177.7	-71.1	0	0	0	0	112.1	Y97 F149 N150 I151 S155 V156 D157 M180	Y97-C153 HydrophobicContact CD1-CB 4.13Å; Y97-C153 HydrophobicContact CE1-CB 4.22Å; F149-C153 PolarHBondContact O-N 3.48Å; F149-C153 PolarHBondContact O-SG 3.22Å; N150-C153 WeakPolarHBondContact O-CB 3.37Å; N150-C153 PolarHBondContact O-N 3.18Å; I151-C153 PolarHBondContact O-N 3.32Å; C153-S155 VanDerWaalsContact C-N 3.32Å; C153-S155 PolarHBondContact O-N 3.08Å; C153-V156 PolarHBondContact O-N 3.17Å; C153-D157 PolarHBondContact O-N 3.24Å; C153-M180 HydrophobicContact CB-CE 4.07Å
154	I	96.4	Very high	95.5	Very high	5 Å²	5	22 Å²	22	3%	0.026	11%	0.108	C	C	.	.	H	α-helix	trans	-60.4	-45.8	175.9	-59.7	161.6	0	0	0	109.5	Y97 L101 N150 I151 C152 V156 D157 R158 V452	Y97-I154 HydrophobicContact CG-CG1 4.36Å; L101-I154 HydrophobicContact CB-CD1 4.47Å; L101-I154 HydrophobicContact CD2-CD1 3.98Å; N150-I154 VanDerWaalsContact O-CG1 3.26Å; N150-I154 WeakPolarHBondContact O-CG1 3.5Å; N150-I154 PolarHBondContact O-N 2.7Å; I151-I154 PolarHBondContact O-N 2.91Å; C152-I154 PolarHBondContact O-N 2.71Å; I154-V156 PolarHBondContact O-N 2.88Å; I154-D157 PolarHBondContact O-N 3.35Å; I154-R158 HydrophobicContact CG2-CG 4.11Å; I154-R158 WeakPolarHBondContact O-CB 3.21Å; I154-R158 VanDerWaalsContact O-CG 3.24Å; I154-R158 WeakPolarHBondContact O-CG 3.35Å; I154-R158 PolarHBondContact O-N 3.48Å; I154-V452 HydrophobicContact CB-CG1 4.31Å; I154-V452 HydrophobicContact CG2-CB 4.3Å; I154-V452 HydrophobicContact CG2-CG1 3.39Å; I154-V452 HydrophobicContact CG2-CG2 3.91Å
155	S	96.8	Very high	95.2	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-59.5	-44.5	-178.8	-56.8	0	0	0	0	112.2	I151 C152 C153 R158 Y159 V232 Y236	I151-S155 WeakPolarHBondContact O-CB 3.37Å; I151-S155 PolarHBondContact O-N 3.35Å; I151-S155 PolarHBondContact O-OG 3.32Å; C152-S155 WeakPolarHBondContact O-CB 3.35Å; C152-S155 PolarHBondContact O-N 3.4Å; C153-S155 VanDerWaalsContact C-N 3.32Å; C153-S155 PolarHBondContact O-N 3.08Å; S155-R158 PolarHBondContact O-N 3.49Å; S155-Y159 WeakPolarHBondContact O-CB 3.37Å; S155-Y159 PolarHBondContact O-N 3.42Å; S155-V232 WeakPolarHBondContact OG-CG1 3.31Å; S155-Y236 WeakPolarHBondContact OG-CE2 3.47Å
156	V	95.8	Very high	94.9	Very high	52 Å²	52	23.1 Å²	23.1	32%	0.315	11%	0.112	S	C	.	.	H	α-helix	trans	-64	-45.6	175.6	172.2	0	0	0	0	111.1	C152 C153 I154 R158 Y159 I160 M180 I235	C152-V156 WeakPolarHBondContact O-CG2 3.26Å; C152-V156 PolarHBondContact O-N 3.42Å; C153-V156 PolarHBondContact O-N 3.17Å; I154-V156 PolarHBondContact O-N 2.88Å; V156-R158 VanDerWaalsContact C-N 3.34Å; V156-R158 PolarHBondContact O-N 2.95Å; V156-Y159 WeakPolarHBondContact O-CB 3.44Å; V156-Y159 PolarHBondContact O-N 3.37Å; V156-I160 HydrophobicContact CG1-CD1 3.92Å; V156-I160 WeakPolarHBondContact O-CG1 3.4Å; V156-I160 PolarHBondContact O-N 3.49Å; V156-M180 HydrophobicContact CB-CE 4.31Å; V156-M180 HydrophobicContact CG1-CE 4.21Å; V156-I235 HydrophobicContact CG2-CD1 3.98Å
157	D	95.2	Very high	94.6	Very high	8 Å²	8	29.6 Å²	29.6	4%	0.043	14%	0.14	C	C	.	.	H	α-helix	trans	-58.7	-45.1	175.8	169	83.2	0	0	0	111.5	Y97 C153 I154 Y159 I160 A161 Y168	Y97-D157 HydrophobicContact CD2-CB 4.36Å; Y97-D157 HydrophobicContact CE2-CB 3.82Å; C153-D157 PolarHBondContact O-N 3.24Å; I154-D157 PolarHBondContact O-N 3.35Å; D157-Y159 PolarHBondContact O-N 3.44Å; D157-I160 PolarHBondContact O-N 3.5Å; D157-A161 WeakPolarHBondContact O-CB 3.42Å; D157-A161 PolarHBondContact O-N 2.84Å; D157-Y168 VanDerWaalsContact OD1-CE2 3.22Å; D157-Y168 WeakPolarHBondContact OD1-CE2 3.4Å; D157-Y168 PolarHBondContact OD1-OH 3.2Å; D157-Y168 PolarHBondContact OD2-OH 3.43Å
158	R	95	Very high	94.3	Very high	3 Å²	3	29.8 Å²	29.8	1%	0.011	14%	0.14	C	C	.	.	H	α-helix	trans	-62.1	-41.8	175.8	-66.8	-55	79.6	-158.6	-11.5	112	I154 S155 V156 A161 I162 Y168 I239 E445 T448 V449 V452	I154-R158 HydrophobicContact CG2-CG 4.11Å; I154-R158 WeakPolarHBondContact O-CB 3.21Å; I154-R158 VanDerWaalsContact O-CG 3.24Å; I154-R158 WeakPolarHBondContact O-CG 3.35Å; I154-R158 PolarHBondContact O-N 3.48Å; S155-R158 PolarHBondContact O-N 3.49Å; V156-R158 VanDerWaalsContact C-N 3.34Å; V156-R158 PolarHBondContact O-N 2.95Å; R158-A161 PolarHBondContact O-N 2.82Å; R158-I162 WeakPolarHBondContact O-CG1 3.3Å; R158-I162 PolarHBondContact O-N 3.43Å; R158-Y168 PolarHBondContact NH2-OH 2.84Å; R158-I239 HydrophobicContact CB-CD1 4.19Å; R158-E445 IonicContact CZ-OE2 3.4Å; R158-E445 IonicContact NH1-OE2 2.7Å; R158-E445 PolarHBondContact NH1-OE2 3.5Å; R158-E445 IonicContact NH2-OE2 3.24Å; R158-E445 PolarHBondContact NH2-OE2 2.92Å; R158-T448 VanDerWaalsContact NH1-CG2 3.31Å; R158-V449 HydrophobicContact CB-CG2 4.14Å; R158-V449 HydrophobicContact CG-CG2 4.38Å; R158-V452 HydrophobicContact CG-CB 4.48Å; R158-V452 HydrophobicContact CG-CG2 4.33Å
159	Y	95.3	Very high	94	Very high	74 Å²	74	31.7 Å²	31.7	29%	0.29	15%	0.149	S	C	.	.	H	α-helix	trans	-59.6	-47.8	176.9	-179.9	-94.6	0	0	0	111.8	S155 V156 D157 I162 N163 I235 R238 I239	S155-Y159 WeakPolarHBondContact O-CB 3.37Å; S155-Y159 PolarHBondContact O-N 3.42Å; V156-Y159 WeakPolarHBondContact O-CB 3.44Å; V156-Y159 PolarHBondContact O-N 3.37Å; D157-Y159 PolarHBondContact O-N 3.44Å; Y159-I162 PolarHBondContact O-N 3.5Å; Y159-N163 VanDerWaalsContact CD2-ND2 3.29Å; Y159-N163 WeakPolarHBondContact CD2-ND2 3.14Å; Y159-N163 WeakPolarHBondContact CE2-ND2 3.28Å; Y159-N163 VanDerWaalsContact CZ-ND2 3.32Å; Y159-N163 WeakPolarHBondContact O-CB 3.37Å; Y159-N163 PolarHBondContact O-N 3.4Å; Y159-N163 PolarHBondContact O-ND2 2.93Å; Y159-I235 HydrophobicContact CD2-CG2 4.17Å; Y159-I235 HydrophobicContact CG-CG2 4.37Å; Y159-R238 HydrophobicContact CE2-CB 3.95Å; Y159-I239 HydrophobicContact CD2-CG1 4.03Å
160	I	94.3	Very high	93.6	Very high	69 Å²	69	34.7 Å²	34.7	35%	0.354	18%	0.175	S	C	.	.	H	α-helix	trans	-64.9	-42.6	179.5	-61.7	166.4	0	0	0	110.3	V156 D157 I162 N163 Y164 Y168	V156-I160 HydrophobicContact CG1-CD1 3.92Å; V156-I160 WeakPolarHBondContact O-CG1 3.4Å; V156-I160 PolarHBondContact O-N 3.49Å; D157-I160 PolarHBondContact O-N 3.5Å; I160-I162 PolarHBondContact O-N 3.43Å; I160-N163 PolarHBondContact O-N 3.41Å; I160-Y164 PolarHBondContact O-N 3.49Å; I160-Y168 HydrophobicContact CB-CD2 4.42Å; I160-Y168 HydrophobicContact CG2-CD2 3.94Å
161	A	93.5	Very high	93.1	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.008	21%	0.207	C	C	.	.	H	α-helix	trans	-59.9	-43.2	179	0	0	0	0	0	112.7	D157 R158 P165 Y168 E445	D157-A161 WeakPolarHBondContact O-CB 3.42Å; D157-A161 PolarHBondContact O-N 2.84Å; R158-A161 PolarHBondContact O-N 2.82Å; A161-P165 WeakPolarHBondContact O-CA 3.37Å; A161-Y168 HydrophobicContact CB-CD1 3.78Å; A161-Y168 HydrophobicContact CB-CD2 4.02Å; A161-Y168 HydrophobicContact CB-CE1 3.64Å; A161-Y168 HydrophobicContact CB-CE2 3.9Å; A161-Y168 HydrophobicContact CB-CG 3.96Å; A161-E445 HydrophobicContact CB-CG 4.34Å
162	I	93.4	Very high	92.8	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-74	-45.1	179	-67.5	-60.1	0	0	0	111.7	R158 Y159 I160 I239 V242 I243 R246 Y442 E445 V449	R158-I162 WeakPolarHBondContact O-CG1 3.3Å; R158-I162 PolarHBondContact O-N 3.43Å; Y159-I162 PolarHBondContact O-N 3.5Å; I160-I162 PolarHBondContact O-N 3.43Å; I162-I239 HydrophobicContact CG1-CG2 4.23Å; I162-I239 HydrophobicContact CG2-CG2 4.47Å; I162-V242 HydrophobicContact CG2-CB 4.47Å; I162-V242 HydrophobicContact CG2-CG1 3.99Å; I162-I243 HydrophobicContact CD1-CD1 4.48Å; I162-I243 HydrophobicContact CG2-CG1 4.09Å; I162-R246 PolarHBondContact O-NH1 2.9Å; I162-Y442 HydrophobicContact CD1-CE2 4.44Å; I162-Y442 HydrophobicContact CG2-CE2 4.25Å; I162-E445 HydrophobicContact CD1-CB 4.02Å; I162-V449 HydrophobicContact CD1-CG2 3.83Å; I162-V449 HydrophobicContact CG1-CG2 3.63Å
163	N	91.7	Very high	92.6	Very high	21 Å²	21	47.5 Å²	47.5	11%	0.112	23%	0.232	C	C	.	.	H	α-helix	trans	-71.5	-38.8	-175.7	-76.7	-72.3	0	0	0	112.4	Y159 I160 V242 R246	Y159-N163 VanDerWaalsContact CD2-ND2 3.29Å; Y159-N163 WeakPolarHBondContact CD2-ND2 3.14Å; Y159-N163 WeakPolarHBondContact CE2-ND2 3.28Å; Y159-N163 VanDerWaalsContact CZ-ND2 3.32Å; Y159-N163 WeakPolarHBondContact O-CB 3.37Å; Y159-N163 PolarHBondContact O-N 3.4Å; Y159-N163 PolarHBondContact O-ND2 2.93Å; I160-N163 PolarHBondContact O-N 3.41Å; N163-V242 WeakPolarHBondContact OD1-CG2 3.14Å; N163-R246 PolarHBondContact O-NH2 2.93Å
164	Y	91.3	Very high	92.4	Very high	123 Å²	123	54 Å²	54	48%	0.482	26%	0.255	S	S	.	.			trans	-131.9	62	-172.4	-50.9	-72.3	0	0	0	113.3	I160 M166 K167 Y168	I160-Y164 PolarHBondContact O-N 3.49Å; Y164-M166 VanDerWaalsContact C-N 3.31Å; Y164-M166 PolarHBondContact O-N 3.3Å; Y164-M166 VanDerWaalsContact O-N 3.11Å; Y164-K167 HydrophobicContact CD1-CD 4.5Å; Y164-K167 PolarHBondContact O-N 2.94Å; Y164-K167 VanDerWaalsContact O-N 3.08Å; Y164-Y168 VanDerWaalsContact O-CB 3.3Å; Y164-Y168 WeakPolarHBondContact O-CB 3.24Å; Y164-Y168 PolarHBondContact O-N 3.46Å
165	P	88.9	Confident	92.3	Very high	4 Å²	4	58.1 Å²	58.1	3%	0.026	28%	0.284	C	S	.	.	H	α-helix	trans	-56.1	-39.1	-168.9	20.7	-34.1	0	0	0	114.5	A161 I169 K438 V441	A161-P165 WeakPolarHBondContact O-CA 3.37Å; P165-I169 WeakPolarHBondContact O-CG1 3.49Å; P165-I169 PolarHBondContact O-N 3.37Å; P165-I169 VanDerWaalsContact O-N 3.16Å; P165-K438 HydrophobicContact CG-CG 4Å; P165-V441 HydrophobicContact CB-CG1 4.05Å
166	M	89.4	Confident	92.2	Very high	40 Å²	40	61.3 Å²	61.3	20%	0.197	30%	0.303	C	S	.	.	H	α-helix	trans	-77.3	-36.6	-179.4	-61.4	-53.4	-62.7	0	0	112.6	Y164 S170 Y434 K438	Y164-M166 VanDerWaalsContact C-N 3.31Å; Y164-M166 PolarHBondContact O-N 3.3Å; Y164-M166 VanDerWaalsContact O-N 3.11Å; M166-S170 PolarHBondContact O-N 2.7Å; M166-Y434 HydrophobicContact CE-CD2 4.1Å; M166-Y434 HydrophobicContact CE-CE2 3.63Å; M166-Y434 HydrophobicContact CG-CE2 3.98Å; M166-Y434 WeakPolarHBondContact CG-OH 3.2Å; M166-Y434 HydrophobicContact SD-CE2 4.39Å; M166-K438 HydrophobicContact CG-CB 4.29Å; M166-K438 HydrophobicContact CG-CD 4.36Å; M166-K438 HydrophobicContact CG-CG 4.09Å; M166-K438 HydrophobicContact SD-CB 4.01Å; M166-K438 HydrophobicContact SD-CG 4.31Å
167	K	90.6	Very high	92.2	Very high	135 Å²	135	58.9 Å²	58.9	59%	0.587	29%	0.288	S	S	*	.	H	α-helix	trans	-68.9	-39.2	173.6	-64.2	-176.1	178.6	179.8	0	110.4	Y164 S170 K171	Y164-K167 HydrophobicContact CD1-CD 4.5Å; Y164-K167 PolarHBondContact O-N 2.94Å; Y164-K167 VanDerWaalsContact O-N 3.08Å; K167-S170 PolarHBondContact O-N 3.44Å; K167-K171 WeakPolarHBondContact O-CB 3.45Å; K167-K171 PolarHBondContact O-N 3.5Å
168	Y	91.5	Very high	92.2	Very high	9 Å²	9	64.3 Å²	64.3	4%	0.035	31%	0.312	C	S	.	.	H	α-helix	trans	-57	-51.5	176.5	178.9	-108.4	0	0	0	111.5	T94 D157 R158 I160 A161 Y164 S170 K171 R172	T94-Y168 WeakPolarHBondContact CG2-OH 3.46Å; D157-Y168 VanDerWaalsContact OD1-CE2 3.22Å; D157-Y168 WeakPolarHBondContact OD1-CE2 3.4Å; D157-Y168 PolarHBondContact OD1-OH 3.2Å; D157-Y168 PolarHBondContact OD2-OH 3.43Å; R158-Y168 PolarHBondContact NH2-OH 2.84Å; I160-Y168 HydrophobicContact CB-CD2 4.42Å; I160-Y168 HydrophobicContact CG2-CD2 3.94Å; A161-Y168 HydrophobicContact CB-CD1 3.78Å; A161-Y168 HydrophobicContact CB-CD2 4.02Å; A161-Y168 HydrophobicContact CB-CE1 3.64Å; A161-Y168 HydrophobicContact CB-CE2 3.9Å; A161-Y168 HydrophobicContact CB-CG 3.96Å; Y164-Y168 VanDerWaalsContact O-CB 3.3Å; Y164-Y168 WeakPolarHBondContact O-CB 3.24Å; Y164-Y168 PolarHBondContact O-N 3.46Å; Y168-S170 VanDerWaalsContact C-N 3.26Å; Y168-S170 PolarHBondContact O-N 3.29Å; Y168-K171 PolarHBondContact O-N 2.87Å; Y168-R172 HydrophobicContact CD2-CB 4.45Å; Y168-R172 HydrophobicContact CE2-CB 4.37Å; Y168-R172 HydrophobicContact CE2-CG 4.27Å; Y168-R172 WeakPolarHBondContact O-CB 3.25Å; Y168-R172 PolarHBondContact O-N 3.19Å; Y168-R172 WeakPolarHBondContact OH-CD 3.48Å; Y168-R172 PolarHBondContact OH-NH1 3.03Å
169	I	88.9	Confident	92.3	Very high	48 Å²	48	67.4 Å²	67.4	25%	0.246	34%	0.338	C	S	.	.	H	α-helix	trans	-60.5	-36.9	177.2	-71.2	172.1	0	0	0	112.3	P165 V441	P165-I169 WeakPolarHBondContact O-CG1 3.49Å; P165-I169 PolarHBondContact O-N 3.37Å; P165-I169 VanDerWaalsContact O-N 3.16Å; I169-V441 HydrophobicContact CD1-CB 4Å; I169-V441 HydrophobicContact CD1-CG1 3.46Å; I169-V441 VanDerWaalsContact CD1-CG1 3.46Å; I169-V441 HydrophobicContact CD1-CG2 3.35Å; I169-V441 HydrophobicContact CG1-CG1 4.26Å
170	S	88.8	Confident	92.4	Very high	100 Å²	100	66.6 Å²	66.6	70%	0.699	34%	0.338	S	S	*	.	H	α-helix	trans	-78.2	-31.6	-177.3	-178.6	0	0	0	0	113.9	M166 K167 Y168	M166-S170 PolarHBondContact O-N 2.7Å; K167-S170 PolarHBondContact O-N 3.44Å; Y168-S170 VanDerWaalsContact C-N 3.26Å; Y168-S170 PolarHBondContact O-N 3.29Å
171	K	88.4	Confident	92.6	Very high	158 Å²	158	64.2 Å²	64.2	69%	0.687	33%	0.325	S	S	*	.	H	α-helix	trans	-106	-17.5	-171.7	-68.7	-165.3	172	-163.2	0	113.9	K167 Y168 T173	K167-K171 WeakPolarHBondContact O-CB 3.45Å; K167-K171 PolarHBondContact O-N 3.5Å; Y168-K171 PolarHBondContact O-N 2.87Å; K171-T173 PolarHBondContact O-N 3.14Å
172	R	88.6	Confident	92.8	Very high	66 Å²	66	65.4 Å²	65.4	25%	0.249	34%	0.338	C	S	.	.			trans	-68.9	115.7	-178.6	-177.3	-173.9	68.9	-175.8	-1.8	110.1	I93 Y168	I93-R172 HydrophobicContact CB-CG 4.06Å; I93-R172 HydrophobicContact CD1-CG 3.73Å; I93-R172 WeakPolarHBondContact CD1-O 3.43Å; I93-R172 HydrophobicContact CG1-CG 4.49Å; I93-R172 HydrophobicContact CG2-CG 3.75Å; Y168-R172 HydrophobicContact CD2-CB 4.45Å; Y168-R172 HydrophobicContact CE2-CB 4.37Å; Y168-R172 HydrophobicContact CE2-CG 4.27Å; Y168-R172 WeakPolarHBondContact O-CB 3.25Å; Y168-R172 PolarHBondContact O-N 3.19Å; Y168-R172 WeakPolarHBondContact OH-CD 3.48Å; Y168-R172 PolarHBondContact OH-NH1 3.03Å
173	T	93.3	Very high	93	Very high	65 Å²	65	67.3 Å²	67.3	40%	0.399	36%	0.357	S	S	.	.			trans	-119	163.2	176.6	70.7	0	0	0	0	111.1	K171 S175 T176 A177	K171-T173 PolarHBondContact O-N 3.14Å; T173-S175 VanDerWaalsContact C-N 3.34Å; T173-T176 PolarHBondContact N-OG1 3.29Å; T173-T176 PolarHBondContact O-OG1 3.38Å; T173-T176 WeakPolarHBondContact OG1-CG2 3.48Å; T173-T176 PolarHBondContact OG1-N 3.33Å; T173-T176 PolarHBondContact OG1-OG1 3.49Å; T173-T176 VanDerWaalsContact OG1-OG1 3.07Å; T173-A177 PolarHBondContact O-N 3.33Å
174	R	93.2	Very high	93.3	Very high	154 Å²	154	66.5 Å²	66.5	58%	0.581	35%	0.354	S	S	*	.	H	α-helix	trans	-66.4	-38.2	172.1	-74.3	-176.4	177.9	158.8	-1	111.5	I93 L96 T176 A177 F178	I93-R174 HydrophobicContact CD1-CG 4.35Å; I93-R174 HydrophobicContact CG1-CG 3.94Å; L96-R174 HydrophobicContact CD1-CG 4.44Å; R174-T176 VanDerWaalsContact C-N 3.34Å; R174-T176 PolarHBondContact O-N 2.88Å; R174-A177 PolarHBondContact O-N 3.33Å; R174-A177 VanDerWaalsContact O-N 3.09Å; R174-F178 HydrophobicContact CB-CD2 4.33Å; R174-F178 HydrophobicContact CB-CE2 4.2Å; R174-F178 VanDerWaalsContact O-CD2 3.23Å; R174-F178 WeakPolarHBondContact O-CD2 3.43Å; R174-F178 PolarHBondContact O-N 2.97Å
175	S	94.8	Very high	93.7	Very high	91 Å²	91	63 Å²	63	64%	0.636	34%	0.34	S	S	*	.	H	α-helix	trans	-59	-43.8	179.1	-170.6	0	0	0	0	112.2	T173 A177 F178 A179	T173-S175 VanDerWaalsContact C-N 3.34Å; S175-A177 VanDerWaalsContact C-N 3.29Å; S175-A177 PolarHBondContact O-N 2.98Å; S175-F178 PolarHBondContact O-N 3.16Å; S175-A179 WeakPolarHBondContact O-CB 3.09Å; S175-A179 PolarHBondContact O-N 3.42Å
176	T	93.9	Very high	94.1	Very high	67 Å²	67	68 Å²	68	41%	0.411	37%	0.365	S	S	.	.	H	α-helix	trans	-64.1	-35.8	176.7	49.7	0	0	0	0	112.1	T173 R174 M180	T173-T176 PolarHBondContact N-OG1 3.29Å; T173-T176 PolarHBondContact O-OG1 3.38Å; T173-T176 WeakPolarHBondContact OG1-CG2 3.48Å; T173-T176 PolarHBondContact OG1-N 3.33Å; T173-T176 PolarHBondContact OG1-OG1 3.49Å; T173-T176 VanDerWaalsContact OG1-OG1 3.07Å; R174-T176 VanDerWaalsContact C-N 3.34Å; R174-T176 PolarHBondContact O-N 2.88Å; T176-M180 WeakPolarHBondContact O-CG 3.35Å; T176-M180 PolarHBondContact O-N 3.28Å; T176-M180 VanDerWaalsContact O-N 3.07Å
177	A	95.5	Very high	94.4	Very high	0 Å²	0	67.6 Å²	67.6	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-70.6	-42.9	177.3	0	0	0	0	0	112.1	I93 Y97 T173 R174 S175 A179 M180 I181	I93-A177 HydrophobicContact CG2-CB 3.57Å; Y97-A177 HydrophobicContact CE1-CB 4.28Å; Y97-A177 HydrophobicContact CE2-CB 4.29Å; Y97-A177 WeakPolarHBondContact OH-CA 3.44Å; T173-A177 PolarHBondContact O-N 3.33Å; R174-A177 PolarHBondContact O-N 3.33Å; R174-A177 VanDerWaalsContact O-N 3.09Å; S175-A177 VanDerWaalsContact C-N 3.29Å; S175-A177 PolarHBondContact O-N 2.98Å; A177-A179 VanDerWaalsContact C-N 3.33Å; A177-A179 PolarHBondContact O-N 3.1Å; A177-M180 PolarHBondContact O-N 3.04Å; A177-I181 WeakPolarHBondContact O-CB 3.45Å; A177-I181 VanDerWaalsContact O-CG1 3.31Å; A177-I181 WeakPolarHBondContact O-CG1 3.42Å; A177-I181 PolarHBondContact O-N 3.45Å
178	F	96.7	Very high	94.7	Very high	123 Å²	123	61.2 Å²	61.2	54%	0.539	34%	0.341	S	S	.	.	H	α-helix	trans	-63.1	-37.6	174	-75.3	-59.7	0	0	0	112.5	L96 R174 S175 I181 G182	L96-F178 HydrophobicContact CD1-CZ 4.37Å; R174-F178 HydrophobicContact CB-CD2 4.33Å; R174-F178 HydrophobicContact CB-CE2 4.2Å; R174-F178 VanDerWaalsContact O-CD2 3.23Å; R174-F178 WeakPolarHBondContact O-CD2 3.43Å; R174-F178 PolarHBondContact O-N 2.97Å; S175-F178 PolarHBondContact O-N 3.16Å; F178-I181 PolarHBondContact O-N 3.37Å; F178-G182 PolarHBondContact O-N 3.39Å
179	A	97	Very high	94.8	Very high	68 Å²	68	65.7 Å²	65.7	56%	0.562	36%	0.361	S	S	*	.	H	α-helix	trans	-64.1	-43.2	174.4	0	0	0	0	0	112.2	S175 A177 G183	S175-A179 WeakPolarHBondContact O-CB 3.09Å; S175-A179 PolarHBondContact O-N 3.42Å; A177-A179 VanDerWaalsContact C-N 3.33Å; A177-A179 PolarHBondContact O-N 3.1Å; A179-G183 PolarHBondContact O-N 3.35Å
180	M	96.9	Very high	95	Very high	56 Å²	56	68.4 Å²	68.4	28%	0.276	38%	0.375	S	S	.	.	H	α-helix	trans	-64.4	-46	175.7	-74	178	63.6	0	0	112.1	Y97 C153 V156 T176 A177 G183 A184	Y97-M180 HydrophobicContact CE1-CB 3.97Å; Y97-M180 HydrophobicContact CE1-CE 4.29Å; Y97-M180 HydrophobicContact CE1-SD 4.47Å; Y97-M180 PolarHBondContact OH-SD 2.89Å; C153-M180 HydrophobicContact CB-CE 4.07Å; V156-M180 HydrophobicContact CB-CE 4.31Å; V156-M180 HydrophobicContact CG1-CE 4.21Å; T176-M180 WeakPolarHBondContact O-CG 3.35Å; T176-M180 PolarHBondContact O-N 3.28Å; T176-M180 VanDerWaalsContact O-N 3.07Å; A177-M180 PolarHBondContact O-N 3.04Å; M180-G183 PolarHBondContact O-N 2.94Å; M180-A184 PolarHBondContact O-N 3.33Å
181	I	98.1	Very high	95.1	Very high	19 Å²	19	64.7 Å²	64.7	10%	0.097	35%	0.347	C	S	.	.	H	α-helix	trans	-61.6	-50.9	176.9	-71	166.3	0	0	0	110.2	L96 Y97 S100 A177 F178 G183 A184 W185	L96-I181 HydrophobicContact CB-CD1 4.19Å; Y97-I181 HydrophobicContact CD1-CD1 3.95Å; Y97-I181 HydrophobicContact CD1-CG1 3.65Å; Y97-I181 HydrophobicContact CE1-CD1 4.33Å; Y97-I181 HydrophobicContact CE1-CG1 3.94Å; S100-I181 WeakPolarHBondContact OG-CG2 3.47Å; A177-I181 WeakPolarHBondContact O-CB 3.45Å; A177-I181 VanDerWaalsContact O-CG1 3.31Å; A177-I181 WeakPolarHBondContact O-CG1 3.42Å; A177-I181 PolarHBondContact O-N 3.45Å; F178-I181 PolarHBondContact O-N 3.37Å; I181-G183 VanDerWaalsContact C-N 3.29Å; I181-G183 PolarHBondContact O-N 3.3Å; I181-A184 WeakPolarHBondContact O-CB 3.14Å; I181-A184 PolarHBondContact O-N 2.84Å; I181-W185 PolarHBondContact O-N 3.35Å
182	G	98.1	Very high	95	Very high	27 Å²	27	58 Å²	58	28%	0.278	32%	0.318	S	S	.	.	H	α-helix	trans	-57.8	-41.7	177.4	0	0	0	0	0	112.2	F178 A184 W185 I186	F178-G182 PolarHBondContact O-N 3.39Å; G182-A184 VanDerWaalsContact C-N 3.35Å; G182-A184 PolarHBondContact O-N 3.34Å; G182-W185 PolarHBondContact O-N 2.76Å; G182-I186 WeakPolarHBondContact O-CB 3.07Å; G182-I186 WeakPolarHBondContact O-CD1 3.48Å; G182-I186 VanDerWaalsContact O-CG1 3.22Å; G182-I186 WeakPolarHBondContact O-CG1 3.37Å; G182-I186 PolarHBondContact O-N 2.98Å
183	G	98.1	Very high	94.9	Very high	39 Å²	39	57.6 Å²	57.6	40%	0.402	32%	0.321	S	S	.	.	H	α-helix	trans	-60.8	-39.6	173.8	0	0	0	0	0	113.4	A179 M180 I181 A187	A179-G183 PolarHBondContact O-N 3.35Å; M180-G183 PolarHBondContact O-N 2.94Å; I181-G183 VanDerWaalsContact C-N 3.29Å; I181-G183 PolarHBondContact O-N 3.3Å; G183-A187 VanDerWaalsContact O-CB 3.29Å; G183-A187 WeakPolarHBondContact O-CB 3.39Å; G183-A187 PolarHBondContact O-N 3.21Å
184	A	97.7	Very high	94.3	Very high	5 Å²	5	57.3 Å²	57.3	4%	0.041	32%	0.32	C	S	.	.	H	α-helix	trans	-62.1	-49.5	174.5	0	0	0	0	0	111.6	F149 M180 I181 G182 I186 A187 S188	F149-A184 HydrophobicContact CB-CB 3.71Å; M180-A184 PolarHBondContact O-N 3.33Å; I181-A184 WeakPolarHBondContact O-CB 3.14Å; I181-A184 PolarHBondContact O-N 2.84Å; G182-A184 VanDerWaalsContact C-N 3.35Å; G182-A184 PolarHBondContact O-N 3.34Å; A184-I186 PolarHBondContact O-N 3.21Å; A184-A187 PolarHBondContact O-N 3.17Å; A184-S188 PolarHBondContact O-N 2.87Å; A184-S188 PolarHBondContact O-OG 2.99Å
185	W	98.3	Very high	93.4	Very high	48 Å²	48	50 Å²	50	18%	0.182	29%	0.292	C	S	.	.	H	α-helix	trans	-63.2	-41.2	178.6	-75.5	99.4	0	0	0	112.9	S100 L103 L107 F142 L143 A146 I181 G182 S188 F189	S100-W185 PolarHBondContact OG-NE1 2.73Å; L103-W185 HydrophobicContact CD2-CZ2 4.3Å; L103-W185 HydrophobicContact CG-CZ2 4.42Å; L107-W185 HydrophobicContact CD1-CH2 4.04Å; L107-W185 HydrophobicContact CD1-CZ3 4.49Å; F142-W185 HydrophobicContact CE1-CE3 4.17Å; F142-W185 AromaticContact CE1-CZ3 3.87Å; F142-W185 HydrophobicContact CE1-CZ3 3.87Å; F142-W185 HydrophobicContact CE2-CE3 4.16Å; F142-W185 AromaticContact CZ-CE3 3.52Å; F142-W185 HydrophobicContact CZ-CE3 3.52Å; F142-W185 AromaticContact CZ-CZ3 3.71Å; F142-W185 HydrophobicContact CZ-CZ3 3.71Å; L143-W185 HydrophobicContact CD2-CZ3 4.31Å; A146-W185 HydrophobicContact CB-CD2 4.38Å; A146-W185 HydrophobicContact CB-CE3 3.92Å; A146-W185 HydrophobicContact CB-CH2 4.2Å; A146-W185 HydrophobicContact CB-CZ3 3.84Å; I181-W185 PolarHBondContact O-N 3.35Å; G182-W185 PolarHBondContact O-N 2.76Å; W185-S188 PolarHBondContact O-N 3.03Å; W185-F189 WeakPolarHBondContact O-CB 3.42Å; W185-F189 PolarHBondContact O-N 3.24Å
186	I	97.8	Very high	92.6	Very high	109 Å²	109	49 Å²	49	56%	0.559	28%	0.279	S	S	*	.	H	α-helix	trans	-63.7	-45.9	175.8	-68.5	164.7	0	0	0	110.3	G182 A184 S188 F189 L190	G182-I186 WeakPolarHBondContact O-CB 3.07Å; G182-I186 WeakPolarHBondContact O-CD1 3.48Å; G182-I186 VanDerWaalsContact O-CG1 3.22Å; G182-I186 WeakPolarHBondContact O-CG1 3.37Å; G182-I186 PolarHBondContact O-N 2.98Å; A184-I186 PolarHBondContact O-N 3.21Å; I186-S188 VanDerWaalsContact C-N 3.31Å; I186-S188 PolarHBondContact O-N 2.88Å; I186-F189 WeakPolarHBondContact O-CB 3.4Å; I186-F189 PolarHBondContact O-N 2.9Å; I186-F189 VanDerWaalsContact O-N 3.15Å; I186-L190 HydrophobicContact CG2-CD1 4.35Å; I186-L190 HydrophobicContact CG2-CG 4.5Å; I186-L190 WeakPolarHBondContact O-CG 3.2Å; I186-L190 PolarHBondContact O-N 3.1Å
187	A	96.2	Very high	91.9	Very high	33 Å²	33	54 Å²	54	27%	0.273	30%	0.296	S	S	.	.	H	α-helix	trans	-60.3	-41.2	177.6	0	0	0	0	0	111.8	F149 G183 A184 L190 I191	F149-A187 HydrophobicContact CD2-CB 3.74Å; F149-A187 HydrophobicContact CE2-CB 3.67Å; F149-A187 HydrophobicContact CZ-CB 4.45Å; G183-A187 VanDerWaalsContact O-CB 3.29Å; G183-A187 WeakPolarHBondContact O-CB 3.39Å; G183-A187 PolarHBondContact O-N 3.21Å; A184-A187 PolarHBondContact O-N 3.17Å; A187-L190 PolarHBondContact O-N 3.2Å; A187-I191 WeakPolarHBondContact O-CG1 3.48Å; A187-I191 PolarHBondContact O-N 3.25Å
188	S	96.7	Very high	90.5	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-63.6	-41.2	174.2	-52.4	0	0	0	0	112.3	S145 A146 F149 A184 W185 I186 L190 I191 M192	S145-S188 PolarHBondContact O-OG 2.99Å; A146-S188 WeakPolarHBondContact CA-OG 3.2Å; A146-S188 PolarHBondContact N-OG 2.96Å; F149-S188 VanDerWaalsContact CD2-OG 3.31Å; F149-S188 WeakPolarHBondContact CD2-OG 3.39Å; A184-S188 PolarHBondContact O-N 2.87Å; A184-S188 PolarHBondContact O-OG 2.99Å; W185-S188 PolarHBondContact O-N 3.03Å; I186-S188 VanDerWaalsContact C-N 3.31Å; I186-S188 PolarHBondContact O-N 2.88Å; S188-L190 VanDerWaalsContact C-N 3.33Å; S188-L190 PolarHBondContact O-N 2.92Å; S188-I191 WeakPolarHBondContact O-CB 3.34Å; S188-I191 PolarHBondContact O-N 2.89Å; S188-M192 PolarHBondContact O-N 2.68Å
189	F	94.7	Very high	88.9	Confident	104 Å²	104	55.1 Å²	55.1	46%	0.456	32%	0.323	S	S	.	.	H	α-helix	trans	-63.1	-40.1	177.5	-176.8	-94	0	0	0	111.4	F142 W185 I186 I191 M192 I193	F142-F189 HydrophobicContact CD2-CB 4.24Å; F142-F189 HydrophobicContact CE2-CB 3.82Å; F142-F189 HydrophobicContact CE2-CD2 4.35Å; W185-F189 WeakPolarHBondContact O-CB 3.42Å; W185-F189 PolarHBondContact O-N 3.24Å; I186-F189 WeakPolarHBondContact O-CB 3.4Å; I186-F189 PolarHBondContact O-N 2.9Å; I186-F189 VanDerWaalsContact O-N 3.15Å; F189-I191 PolarHBondContact O-N 3.39Å; F189-M192 HydrophobicContact CD2-CE 3.43Å; F189-M192 VanDerWaalsContact CD2-CE 3.43Å; F189-M192 HydrophobicContact CE2-CE 3.22Å; F189-M192 HydrophobicContact CG-CE 4.39Å; F189-M192 HydrophobicContact CZ-CE 4.04Å; F189-M192 WeakPolarHBondContact O-CB 3.43Å; F189-M192 PolarHBondContact O-N 3.1Å; F189-I193 HydrophobicContact CD1-CD1 4.34Å; F189-I193 HydrophobicContact CD1-CG1 4.5Å; F189-I193 HydrophobicContact CE1-CD1 4.15Å; F189-I193 HydrophobicContact CE1-CG1 4.26Å; F189-I193 PolarHBondContact O-N 2.61Å
190	L	93	Very high	87.2	Confident	105 Å²	105	53.2 Å²	53.2	55%	0.55	30%	0.302	S	S	.	.	H	α-helix	trans	-62	-32.8	176.1	-67.8	174.8	0	0	0	112.7	I186 A187 S188 M192 I193	I186-L190 HydrophobicContact CG2-CD1 4.35Å; I186-L190 HydrophobicContact CG2-CG 4.5Å; I186-L190 WeakPolarHBondContact O-CG 3.2Å; I186-L190 PolarHBondContact O-N 3.1Å; A187-L190 PolarHBondContact O-N 3.2Å; S188-L190 VanDerWaalsContact C-N 3.33Å; S188-L190 PolarHBondContact O-N 2.92Å; L190-M192 VanDerWaalsContact C-N 3.28Å; L190-M192 PolarHBondContact O-N 3.32Å; L190-I193 HydrophobicContact CD2-CD1 3.84Å; L190-I193 PolarHBondContact O-N 3.15Å
191	I	89.7	Confident	85.6	Confident	22 Å²	22	51.5 Å²	51.5	11%	0.113	29%	0.294	C	S	.	.	H	α-helix	trans	-70	-27.2	174.7	-66.1	179.7	0	0	0	111.8	L141 F149 A187 S188 F189 I193 P194 I220 T224	L141-I191 HydrophobicContact CD1-CG2 4.14Å; L141-I191 HydrophobicContact CD2-CG2 3.89Å; L141-I191 HydrophobicContact CG-CG2 3.88Å; F149-I191 HydrophobicContact CE2-CD1 3.62Å; F149-I191 HydrophobicContact CZ-CD1 3.63Å; A187-I191 WeakPolarHBondContact O-CG1 3.48Å; A187-I191 PolarHBondContact O-N 3.25Å; S188-I191 WeakPolarHBondContact O-CB 3.34Å; S188-I191 PolarHBondContact O-N 2.89Å; F189-I191 PolarHBondContact O-N 3.39Å; I191-I193 VanDerWaalsContact C-N 3.35Å; I191-P194 WeakPolarHBondContact O-CD 3.37Å; I191-I220 HydrophobicContact CG2-CD1 3.88Å; I191-T224 HydrophobicContact CD1-CG2 3.73Å; I191-T224 HydrophobicContact CG2-CG2 3.71Å
192	M	87.6	Confident	83.8	Confident	16 Å²	16	55.5 Å²	55.5	8%	0.079	31%	0.312	C	S	.	.	H	α-helix	trans	-73.8	-22.5	177.6	-170.5	-176.9	70	0	0	113.5	S138 F142 S188 F189 L190 P195 I196	S138-M192 WeakPolarHBondContact O-CG 3.43Å; F142-M192 HydrophobicContact CB-CB 4Å; F142-M192 HydrophobicContact CB-CG 3.96Å; F142-M192 HydrophobicContact CB-SD 3.62Å; F142-M192 HydrophobicContact CD1-SD 4.46Å; F142-M192 HydrophobicContact CD2-SD 4.39Å; F142-M192 HydrophobicContact CG-SD 3.92Å; S188-M192 PolarHBondContact O-N 2.68Å; F189-M192 HydrophobicContact CD2-CE 3.43Å; F189-M192 VanDerWaalsContact CD2-CE 3.43Å; F189-M192 HydrophobicContact CE2-CE 3.22Å; F189-M192 HydrophobicContact CG-CE 4.39Å; F189-M192 HydrophobicContact CZ-CE 4.04Å; F189-M192 WeakPolarHBondContact O-CB 3.43Å; F189-M192 PolarHBondContact O-N 3.1Å; L190-M192 VanDerWaalsContact C-N 3.28Å; L190-M192 PolarHBondContact O-N 3.32Å; M192-P195 VanDerWaalsContact O-CD 3.25Å; M192-P195 WeakPolarHBondContact O-CD 3.37Å; M192-I196 HydrophobicContact CE-CD1 3.75Å; M192-I196 HydrophobicContact CG-CD1 3.85Å; M192-I196 WeakPolarHBondContact O-CG1 3.49Å; M192-I196 HydrophobicContact SD-CD1 4.21Å
193	I	85.7	Confident	82.1	Confident	59 Å²	59	56 Å²	56	30%	0.303	31%	0.31	S	S	.	.	H	α-helix	trans	-64.3	-49.2	-172.7	-65.4	173.2	0	0	0	113	F189 L190 I191 I196 F197	F189-I193 HydrophobicContact CD1-CD1 4.34Å; F189-I193 HydrophobicContact CD1-CG1 4.5Å; F189-I193 HydrophobicContact CE1-CD1 4.15Å; F189-I193 HydrophobicContact CE1-CG1 4.26Å; F189-I193 PolarHBondContact O-N 2.61Å; L190-I193 HydrophobicContact CD2-CD1 3.84Å; L190-I193 PolarHBondContact O-N 3.15Å; I191-I193 VanDerWaalsContact C-N 3.35Å; I193-I196 PolarHBondContact O-N 3.46Å; I193-I196 VanDerWaalsContact O-N 3.1Å; I193-F197 HydrophobicContact CG2-CD2 3.79Å; I193-F197 HydrophobicContact CG2-CE2 4.03Å; I193-F197 WeakPolarHBondContact O-CD2 3.48Å; I193-F197 PolarHBondContact O-N 3.42Å
194	P	81.2	Confident	80	Confident	58 Å²	58	55.2 Å²	55.2	38%	0.377	30%	0.302	S	S	.	.	H	α-helix	trans	-60.1	-40.5	-176.3	-21.3	31.8	0	0	0	115.3	I191 I196 G198 Y216	I191-P194 WeakPolarHBondContact O-CD 3.37Å; P194-I196 VanDerWaalsContact C-N 3.28Å; P194-I196 PolarHBondContact O-N 3.08Å; P194-G198 WeakPolarHBondContact O-CA 3.43Å; P194-G198 PolarHBondContact O-N 3.42Å; P194-Y216 HydrophobicContact CB-CE2 3.77Å
195	P	74.3	Confident	78	Confident	1 Å²	1	60 Å²	60	1%	0.006	33%	0.33	C	S	.	.	H	α-helix	trans	-51	-42.1	169.4	-30.5	32.4	0	0	0	115	S138 L141 M192 H201 Y216	S138-P195 WeakPolarHBondContact OG-CB 3.41Å; L141-P195 HydrophobicContact CD2-CG 3.76Å; M192-P195 VanDerWaalsContact O-CD 3.25Å; M192-P195 WeakPolarHBondContact O-CD 3.37Å; P195-H201 WeakPolarHBondContact CB-NE2 3.32Å; P195-H201 PolarHBondContact O-CD2 3.24Å; P195-H201 PolarHBondContact O-NE2 3.31Å; P195-Y216 WeakPolarHBondContact CD-OH 3.2Å; P195-Y216 WeakPolarHBondContact CG-OH 3.49Å
196	I	77.9	Confident	76.3	Confident	69 Å²	69	58.8 Å²	58.8	35%	0.354	33%	0.333	S	S	.	.	H	α-helix	trans	-72.3	-38.2	-171.3	-66.8	172.7	0	0	0	111.3	S138 M192 I193 P194	S138-I196 WeakPolarHBondContact OG-CG1 3.18Å; M192-I196 HydrophobicContact CE-CD1 3.75Å; M192-I196 HydrophobicContact CG-CD1 3.85Å; M192-I196 WeakPolarHBondContact O-CG1 3.49Å; M192-I196 HydrophobicContact SD-CD1 4.21Å; I193-I196 PolarHBondContact O-N 3.46Å; I193-I196 VanDerWaalsContact O-N 3.1Å; P194-I196 VanDerWaalsContact C-N 3.28Å; P194-I196 PolarHBondContact O-N 3.08Å
197	F	77.5	Confident	74.9	Confident	173 Å²	173	56.2 Å²	56.2	76%	0.759	32%	0.324	S	S	*	.	H	α-helix	trans	-100.7	-9.6	-177.4	-64.5	-77.3	0	0	0	113.8	I193	I193-F197 HydrophobicContact CG2-CD2 3.79Å; I193-F197 HydrophobicContact CG2-CE2 4.03Å; I193-F197 WeakPolarHBondContact O-CD2 3.48Å; I193-F197 PolarHBondContact O-N 3.42Å
198	G	67.6	Low	74.1	Confident	29 Å²	29	54.7 Å²	54.7	30%	0.299	31%	0.311	S	S	.	.	S	Bend	trans	-90.6	147.8	-177.9	0	0	0	0	0	112.7	P194 Q200	P194-G198 WeakPolarHBondContact O-CA 3.43Å; P194-G198 PolarHBondContact O-N 3.42Å; G198-Q200 PolarHBondContact O-N 2.95Å
199	S	62.3	Low	73.1	Confident	117 Å²	117	58.6 Å²	58.6	82%	0.818	33%	0.327	S	S	*	.	S	Bend	trans	-72.7	43	167.9	61.2	0	0	0	0	112.3
200	Q	62.1	Low	72	Confident	28 Å²	28	55 Å²	55	13%	0.131	32%	0.316	C	S	.	.			trans	-106.4	16.6	-163.3	-59.4	-71	-27.4	0	0	112.5	G198 R211 S212 D213	G198-Q200 PolarHBondContact O-N 2.95Å; Q200-R211 CarbonylContact C-O 3.59Å; Q200-R211 VanDerWaalsContact CA-O 3.24Å; Q200-R211 WeakPolarHBondContact CA-O 3.38Å; Q200-R211 CarbonylContact O-C 3.56Å; Q200-R211 PolarHBondContact O-N 2.98Å; Q200-S212 PolarHBondContact O-OG 3.39Å; Q200-D213 PolarHBondContact NE2-OD2 3.18Å
201	H	63.4	Low	70.7	Confident	21 Å²	21	57.5 Å²	57.5	10%	0.097	32%	0.318	C	S	.	.			trans	-134.1	126.4	179	-60.9	-63.9	0	0	0	110.1	I137 P195 T203	I137-H201 VanDerWaalsContact CG2-CE1 3.46Å; I137-H201 WeakPolarHBondContact CG2-CE1 3.27Å; P195-H201 WeakPolarHBondContact CB-NE2 3.32Å; P195-H201 PolarHBondContact O-CD2 3.24Å; P195-H201 PolarHBondContact O-NE2 3.31Å; H201-T203 HydrophobicContact CB-CG2 3.68Å; H201-T203 PolarHBondContact O-N 3.31Å; H201-T203 VanDerWaalsContact O-N 3.16Å
202	H	59.6	Low	69.8	Low	102 Å²	102	56.9 Å²	56.9	47%	0.472	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	101.3	162.4	-85.8	-30.2	0	0	0	106.5	S207 Y209 R211	H202-S207 VanDerWaalsContact O-O 3.07Å; H202-Y209 PolarHBondContact N-O 3.13Å; H202-Y209 VanDerWaalsContact N-O 3.09Å; H202-Y209 PolarHBondContact O-N 3.29Å; H202-R211 HydrophobicContact CB-CB 4.2Å; H202-R211 WeakPolarHBondContact CD2-CD 3.27Å; H202-R211 WeakPolarHBondContact CE1-CD 3.29Å; H202-R211 WeakPolarHBondContact NE2-CD 3.22Å
203	T	61.7	Low	69.3	Low	39 Å²	39	60.1 Å²	60.1	24%	0.239	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	130.7	177.2	54	0	0	0	0	107	H130 C133 H201 S207	H130-T203 HydrophobicContact CB-CG2 4.42Å; H130-T203 PolarHBondContact CE1-O 2.87Å; H130-T203 WeakPolarHBondContact ND1-CB 3.21Å; H130-T203 PolarHBondContact ND1-O 3.46Å; H130-T203 PolarHBondContact ND1-OG1 3.29Å; C133-T203 HydrophobicContact CB-CG2 3.98Å; H201-T203 HydrophobicContact CB-CG2 3.68Å; H201-T203 PolarHBondContact O-N 3.31Å; H201-T203 VanDerWaalsContact O-N 3.16Å; T203-S207 CarbonylContact C-O 3.59Å; T203-S207 WeakPolarHBondContact CA-O 3.4Å
204	G	54.6	Low	69.3	Low	22 Å²	22	59.9 Å²	59.9	23%	0.227	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-177.5	161.9	179.1	0	0	0	0	0	110.1	H130 G206 S207	H130-G204 VanDerWaalsContact CE1-CA 3.5Å; H130-G204 WeakPolarHBondContact CE1-CA 3.42Å; G204-G206 PolarHBondContact O-N 3.24Å; G204-G206 VanDerWaalsContact O-N 3.08Å; G204-S207 PolarHBondContact N-O 3.25Å; G204-S207 CarbonylContact O-C 3.1Å; G204-S207 PolarHBondContact O-N 3.29Å; G204-S207 VanDerWaalsContact O-O 3.06Å
205	V	55.2	Low	69.5	Low	105 Å²	105	66 Å²	66	64%	0.636	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	119.9	172.7	-174.4	0	0	0	0	107.9	E128	E128-V205 HydrophobicContact CB-CG2 4.44Å; E128-V205 HydrophobicContact CG-CG2 4.12Å
206	G	63.4	Low	69.9	Low	23 Å²	23	67.3 Å²	67.3	24%	0.237	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.9	-6.4	-176.5	0	0	0	0	0	116.6	G204	G204-G206 PolarHBondContact O-N 3.24Å; G204-G206 VanDerWaalsContact O-N 3.08Å
207	S	67.5	Low	70.4	Confident	54 Å²	54	65.2 Å²	65.2	38%	0.378	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	112.1	-178	-73.8	0	0	0	0	112.8	H202 T203 G204	H202-S207 VanDerWaalsContact O-O 3.07Å; T203-S207 CarbonylContact C-O 3.59Å; T203-S207 WeakPolarHBondContact CA-O 3.4Å; G204-S207 PolarHBondContact N-O 3.25Å; G204-S207 CarbonylContact O-C 3.1Å; G204-S207 PolarHBondContact O-N 3.29Å; G204-S207 VanDerWaalsContact O-O 3.06Å
208	C	81.3	Confident	71	Confident	1 Å²	1	62.3 Å²	62.3	1%	0.007	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	87.6	173.6	178.9	0	0	0	0	110	R119 W125 C133	R119-C208 PolarHBondContact NH1-O 2.95Å; W125-C208 HydrophobicContact CB-CB 3.56Å; W125-C208 HydrophobicContact CD2-CB 3.58Å; W125-C208 HydrophobicContact CE3-CB 3.85Å; W125-C208 HydrophobicContact CG-CB 3.47Å; W125-C208 VanDerWaalsContact CG-CB 3.47Å; C133-C208 HydrophobicContact CB-CB 3.92Å; C133-C208 WeakPolarHBondContact CB-SG 2.94Å; C133-C208 WeakPolarHBondContact SG-CA 3.48Å; C133-C208 WeakPolarHBondContact SG-CB 3.22Å; C133-C208 CovalentContact SG-SG 2.02Å; C133-C208 PolarHBondContact SG-SG 3.44Å
209	Y	75.3	Confident	72	Confident	83 Å²	83	65.9 Å²	65.9	33%	0.325	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	145.2	-176.4	-55.2	-95.1	0	0	0	110.9	R119 H202 R211 E482	R119-Y209 VanDerWaalsContact NH2-CD1 3.34Å; H202-Y209 PolarHBondContact N-O 3.13Å; H202-Y209 VanDerWaalsContact N-O 3.09Å; H202-Y209 PolarHBondContact O-N 3.29Å; Y209-R211 VanDerWaalsContact C-N 3.3Å; Y209-R211 PolarHBondContact O-N 3.29Å; Y209-E482 HydrophobicContact CE1-CG 4.41Å; Y209-E482 WeakPolarHBondContact CE1-OE1 3.09Å; Y209-E482 PolarHBondContact OH-OE1 3.46Å; Y209-E482 VanDerWaalsContact OH-OE1 3.1Å; Y209-E482 PolarHBondContact OH-OE2 2.98Å
210	A	70	Confident	73.3	Confident	28 Å²	28	60.9 Å²	60.9	23%	0.231	31%	0.311	C	S	.	.			trans	-73.7	84.2	170	0	0	0	0	0	109.8	I137 S212 R217	I137-A210 HydrophobicContact CG2-CB 4.18Å; A210-S212 PolarHBondContact O-N 3.03Å; A210-R217 PolarHBondContact O-NH2 3.39Å
211	R	65.7	Low	74.7	Confident	157 Å²	157	59.6 Å²	59.6	59%	0.592	31%	0.305	S	S	*	.			trans	-87.2	96.9	168.3	-178.6	174.5	-178.9	98.2	-4.9	109.1	Q200 H202 Y209	Q200-R211 CarbonylContact C-O 3.59Å; Q200-R211 VanDerWaalsContact CA-O 3.24Å; Q200-R211 WeakPolarHBondContact CA-O 3.38Å; Q200-R211 CarbonylContact O-C 3.56Å; Q200-R211 PolarHBondContact O-N 2.98Å; H202-R211 HydrophobicContact CB-CB 4.2Å; H202-R211 WeakPolarHBondContact CD2-CD 3.27Å; H202-R211 WeakPolarHBondContact CE1-CD 3.29Å; H202-R211 WeakPolarHBondContact NE2-CD 3.22Å; Y209-R211 VanDerWaalsContact C-N 3.3Å; Y209-R211 PolarHBondContact O-N 3.29Å
212	S	70.8	Confident	76.1	Confident	9 Å²	9	61 Å²	61	6%	0.063	31%	0.313	C	S	.	.			trans	-126.2	147.1	-179.6	-39.6	0	0	0	0	111.3	Q200 A210 Y216 R217	Q200-S212 PolarHBondContact O-OG 3.39Å; A210-S212 PolarHBondContact O-N 3.03Å; S212-Y216 WeakPolarHBondContact OG-CD1 3.34Å; S212-R217 PolarHBondContact O-NE 2.94Å
213	D	78.4	Confident	77.6	Confident	84 Å²	84	58.1 Å²	58.1	45%	0.449	30%	0.304	S	S	.	.			trans	-51.5	147.6	179.6	-59.3	-55.8	0	0	0	111.2	Q200 R215 Y216 R217	Q200-D213 PolarHBondContact NE2-OD2 3.18Å; D213-R215 PolarHBondContact O-N 3.46Å; D213-Y216 WeakPolarHBondContact O-CA 3.33Å; D213-Y216 WeakPolarHBondContact O-CB 3.24Å; D213-Y216 PolarHBondContact O-N 3.02Å; D213-R217 PolarHBondContact O-N 3.43Å
214	A	84.5	Confident	79.1	Confident	54 Å²	54	57 Å²	57	45%	0.446	30%	0.298	S	S	.	.	H	α-helix	trans	-50.6	-38.9	178.4	0	0	0	0	0	112.5	Y216 R217 F218 G474	A214-Y216 PolarHBondContact O-N 3.07Å; A214-R217 PolarHBondContact O-N 3.01Å; A214-F218 WeakPolarHBondContact O-CB 3.44Å; A214-F218 PolarHBondContact O-N 2.74Å; A214-G474 VanDerWaalsContact CB-O 3.27Å; A214-G474 WeakPolarHBondContact CB-O 3.42Å
215	R	85.6	Confident	81	Confident	188 Å²	188	56.3 Å²	56.3	71%	0.709	29%	0.288	S	S	*	.	H	α-helix	trans	-59.2	-44.2	174.6	-68.9	-171.6	-64.5	-91.8	-3.3	112.4	D213 F218 I219	D213-R215 PolarHBondContact O-N 3.46Å; R215-F218 PolarHBondContact O-N 3.31Å; R215-I219 VanDerWaalsContact O-CG1 3.28Å; R215-I219 WeakPolarHBondContact O-CG1 3.47Å; R215-I219 PolarHBondContact O-N 2.83Å
216	Y	84.4	Confident	82.9	Confident	27 Å²	27	53.9 Å²	53.9	11%	0.106	27%	0.269	C	S	.	.	H	α-helix	trans	-66.9	-46.8	179.4	178.6	-94.2	0	0	0	111.1	P194 P195 S212 D213 A214 F218 I219 I220	P194-Y216 HydrophobicContact CB-CE2 3.77Å; P195-Y216 WeakPolarHBondContact CD-OH 3.2Å; P195-Y216 WeakPolarHBondContact CG-OH 3.49Å; S212-Y216 WeakPolarHBondContact OG-CD1 3.34Å; D213-Y216 WeakPolarHBondContact O-CA 3.33Å; D213-Y216 WeakPolarHBondContact O-CB 3.24Å; D213-Y216 PolarHBondContact O-N 3.02Å; A214-Y216 PolarHBondContact O-N 3.07Å; Y216-F218 VanDerWaalsContact C-N 3.25Å; Y216-F218 PolarHBondContact O-N 2.92Å; Y216-I219 PolarHBondContact O-N 3.48Å; Y216-I220 HydrophobicContact CD1-CG1 4.05Å; Y216-I220 HydrophobicContact CD2-CG1 4.22Å; Y216-I220 HydrophobicContact CE1-CD1 4.44Å; Y216-I220 HydrophobicContact CE1-CG1 3.55Å; Y216-I220 HydrophobicContact CE2-CD1 3.81Å; Y216-I220 HydrophobicContact CE2-CG1 3.63Å; Y216-I220 HydrophobicContact CG-CG1 4.41Å; Y216-I220 WeakPolarHBondContact O-CG1 3.28Å; Y216-I220 PolarHBondContact O-N 2.93Å; Y216-I220 WeakPolarHBondContact OH-CD1 3.47Å; Y216-I220 WeakPolarHBondContact OH-CG1 3.48Å
217	R	87.5	Confident	84.4	Confident	25 Å²	25	56.8 Å²	56.8	9%	0.094	28%	0.282	C	S	.	.	H	α-helix	trans	-54.4	-44.5	175.6	-67	-174.8	167.5	179.8	-10.2	111.5	A210 S212 D213 A214 A221 Y470 E473	A210-R217 PolarHBondContact O-NH2 3.39Å; S212-R217 PolarHBondContact O-NE 2.94Å; D213-R217 PolarHBondContact O-N 3.43Å; A214-R217 PolarHBondContact O-N 3.01Å; R217-A221 VanDerWaalsContact O-CB 3.27Å; R217-A221 WeakPolarHBondContact O-CB 3.45Å; R217-A221 PolarHBondContact O-N 3.26Å; R217-Y470 HydrophobicContact CB-CD1 4.43Å; R217-Y470 HydrophobicContact CB-CE1 3.86Å; R217-Y470 HydrophobicContact CG-CE1 3.97Å; R217-Y470 HydrophobicContact CG-CE2 4.32Å; R217-E473 VanDerWaalsContact CZ-CD 3.49Å; R217-E473 IonicContact CZ-OE1 3.58Å; R217-E473 VanDerWaalsContact CZ-OE1 3.31Å; R217-E473 IonicContact CZ-OE2 3.31Å; R217-E473 VanDerWaalsContact NH1-CG 3.34Å; R217-E473 PolarHBondContact NH1-O 3.15Å; R217-E473 IonicContact NH1-OE1 3.59Å; R217-E473 PolarHBondContact NH1-OE1 2.88Å; R217-E473 IonicContact NH1-OE2 2.95Å; R217-E473 PolarHBondContact NH1-OE2 2.88Å; R217-E473 VanDerWaalsContact NH2-CD 3.28Å; R217-E473 IonicContact NH2-OE1 2.73Å; R217-E473 PolarHBondContact NH2-OE1 3.31Å; R217-E473 IonicContact NH2-OE2 2.8Å; R217-E473 PolarHBondContact NH2-OE2 3.48Å
218	F	89.8	Confident	85.8	Confident	113 Å²	113	54.5 Å²	54.5	50%	0.496	27%	0.266	S	S	.	.	H	α-helix	trans	-61.5	-50.3	177	-171	-97	0	0	0	112.4	A214 R215 Y216 I220 A221 I222 L471	A214-F218 WeakPolarHBondContact O-CB 3.44Å; A214-F218 PolarHBondContact O-N 2.74Å; R215-F218 PolarHBondContact O-N 3.31Å; Y216-F218 VanDerWaalsContact C-N 3.25Å; Y216-F218 PolarHBondContact O-N 2.92Å; F218-I220 VanDerWaalsContact C-N 3.35Å; F218-I220 PolarHBondContact O-N 3.39Å; F218-A221 PolarHBondContact O-N 3.19Å; F218-I222 HydrophobicContact CD1-CD1 3.53Å; F218-I222 HydrophobicContact CD2-CD1 4.02Å; F218-I222 HydrophobicContact CE1-CD1 3.13Å; F218-I222 HydrophobicContact CE1-CG1 4.47Å; F218-I222 HydrophobicContact CE2-CD1 3.64Å; F218-I222 HydrophobicContact CG-CD1 3.97Å; F218-I222 HydrophobicContact CZ-CD1 3.19Å; F218-I222 WeakPolarHBondContact O-CB 3.42Å; F218-I222 VanDerWaalsContact O-CG1 3.29Å; F218-I222 WeakPolarHBondContact O-CG1 3.34Å; F218-I222 PolarHBondContact O-N 3.42Å; F218-L471 HydrophobicContact CD2-CD1 3.78Å
219	I	89.2	Confident	86.4	Confident	103 Å²	103	55.4 Å²	55.4	53%	0.528	27%	0.272	S	S	.	.	H	α-helix	trans	-59.7	-46.2	179.8	-70.9	165.7	0	0	0	110.8	R215 Y216 S223	R215-I219 VanDerWaalsContact O-CG1 3.28Å; R215-I219 WeakPolarHBondContact O-CG1 3.47Å; R215-I219 PolarHBondContact O-N 2.83Å; Y216-I219 PolarHBondContact O-N 3.48Å; I219-S223 VanDerWaalsContact O-CB 3.23Å; I219-S223 WeakPolarHBondContact O-CB 3.17Å; I219-S223 PolarHBondContact O-N 3.32Å; I219-S223 PolarHBondContact O-OG 3.1Å
220	I	89.3	Confident	87.4	Confident	12 Å²	12	57.5 Å²	57.5	6%	0.062	29%	0.288	C	S	.	.	H	α-helix	trans	-65.5	-52.7	179.9	-66	-55.2	0	0	0	111.1	L141 I191 Y216 F218 I222 S223 T224	L141-I220 HydrophobicContact CD1-CG2 3.64Å; L141-I220 HydrophobicContact CD2-CD1 4.14Å; L141-I220 HydrophobicContact CD2-CG2 4.32Å; I191-I220 HydrophobicContact CG2-CD1 3.88Å; Y216-I220 HydrophobicContact CD1-CG1 4.05Å; Y216-I220 HydrophobicContact CD2-CG1 4.22Å; Y216-I220 HydrophobicContact CE1-CD1 4.44Å; Y216-I220 HydrophobicContact CE1-CG1 3.55Å; Y216-I220 HydrophobicContact CE2-CD1 3.81Å; Y216-I220 HydrophobicContact CE2-CG1 3.63Å; Y216-I220 HydrophobicContact CG-CG1 4.41Å; Y216-I220 WeakPolarHBondContact O-CG1 3.28Å; Y216-I220 PolarHBondContact O-N 2.93Å; Y216-I220 WeakPolarHBondContact OH-CD1 3.47Å; Y216-I220 WeakPolarHBondContact OH-CG1 3.48Å; F218-I220 VanDerWaalsContact C-N 3.35Å; F218-I220 PolarHBondContact O-N 3.39Å; I220-I222 VanDerWaalsContact C-N 3.26Å; I220-I222 PolarHBondContact O-N 2.78Å; I220-S223 PolarHBondContact O-N 2.93Å; I220-S223 PolarHBondContact O-OG 3.39Å; I220-T224 HydrophobicContact CG2-CG2 4.09Å; I220-T224 WeakPolarHBondContact O-CB 3.4Å; I220-T224 WeakPolarHBondContact O-CG2 3.44Å; I220-T224 PolarHBondContact O-N 3.34Å; I220-T224 PolarHBondContact O-OG1 3.21Å
221	A	92.1	Very high	88.6	Confident	1 Å²	1	60 Å²	60	1%	0.008	30%	0.298	C	S	.	.	H	α-helix	trans	-56.7	-41.3	-179.3	0	0	0	0	0	112.2	R217 F218 F225 F226 T467 Y470 L471	R217-A221 VanDerWaalsContact O-CB 3.27Å; R217-A221 WeakPolarHBondContact O-CB 3.45Å; R217-A221 PolarHBondContact O-N 3.26Å; F218-A221 PolarHBondContact O-N 3.19Å; A221-F225 PolarHBondContact O-N 3.3Å; A221-F225 VanDerWaalsContact O-N 3.15Å; A221-F226 HydrophobicContact CB-CD2 4.32Å; A221-F226 HydrophobicContact CB-CE2 4.23Å; A221-F226 WeakPolarHBondContact O-CD2 3.38Å; A221-F226 PolarHBondContact O-N 3.12Å; A221-F226 VanDerWaalsContact O-N 3.15Å; A221-T467 HydrophobicContact CB-CG2 3.96Å; A221-Y470 HydrophobicContact CB-CD1 4.47Å; A221-L471 HydrophobicContact CB-CD1 4.25Å
222	I	92.7	Very high	90.1	Very high	51 Å²	51	52.8 Å²	52.8	26%	0.262	27%	0.271	S	S	.	.	I	π-helix	trans	-70.9	-48.7	179.9	-70	179.9	0	0	0	112	F218 I220 F226 V227	F218-I222 HydrophobicContact CD1-CD1 3.53Å; F218-I222 HydrophobicContact CD2-CD1 4.02Å; F218-I222 HydrophobicContact CE1-CD1 3.13Å; F218-I222 HydrophobicContact CE1-CG1 4.47Å; F218-I222 HydrophobicContact CE2-CD1 3.64Å; F218-I222 HydrophobicContact CG-CD1 3.97Å; F218-I222 HydrophobicContact CZ-CD1 3.19Å; F218-I222 WeakPolarHBondContact O-CB 3.42Å; F218-I222 VanDerWaalsContact O-CG1 3.29Å; F218-I222 WeakPolarHBondContact O-CG1 3.34Å; F218-I222 PolarHBondContact O-N 3.42Å; I220-I222 VanDerWaalsContact C-N 3.26Å; I220-I222 PolarHBondContact O-N 2.78Å; I222-F226 PolarHBondContact O-N 3.33Å; I222-V227 HydrophobicContact CG2-CG2 3.57Å; I222-V227 WeakPolarHBondContact O-CB 3.49Å; I222-V227 PolarHBondContact O-N 3.42Å
223	S	91.3	Very high	91.3	Very high	41 Å²	41	53.8 Å²	53.8	29%	0.287	28%	0.283	S	S	.	.	I	π-helix	trans	-70.2	-34.2	-175.9	60	0	0	0	0	113	I219 I220 P228	I219-S223 VanDerWaalsContact O-CB 3.23Å; I219-S223 WeakPolarHBondContact O-CB 3.17Å; I219-S223 PolarHBondContact O-N 3.32Å; I219-S223 PolarHBondContact O-OG 3.1Å; I220-S223 PolarHBondContact O-N 2.93Å; I220-S223 PolarHBondContact O-OG 3.39Å; S223-P228 WeakPolarHBondContact O-CD 3.1Å; S223-P228 WeakPolarHBondContact O-CG 3.23Å
224	T	92.3	Very high	92.1	Very high	17 Å²	17	55.2 Å²	55.2	10%	0.104	29%	0.285	C	S	.	.	I	π-helix	trans	-93.4	-24.8	-174.3	60.4	0	0	0	0	114.5	L141 S145 T148 I191 I220	L141-T224 HydrophobicContact CD1-CG2 4.06Å; S145-T224 WeakPolarHBondContact OG-CG2 3.23Å; T148-T224 WeakPolarHBondContact CG2-O 3.23Å; T148-T224 PolarHBondContact OG1-O 2.86Å; I191-T224 HydrophobicContact CD1-CG2 3.73Å; I191-T224 HydrophobicContact CG2-CG2 3.71Å; I220-T224 HydrophobicContact CG2-CG2 4.09Å; I220-T224 WeakPolarHBondContact O-CB 3.4Å; I220-T224 WeakPolarHBondContact O-CG2 3.44Å; I220-T224 PolarHBondContact O-N 3.34Å; I220-T224 PolarHBondContact O-OG1 3.21Å
225	F	94.3	Very high	92.7	Very high	6 Å²	6	53.2 Å²	53.2	3%	0.026	27%	0.267	C	S	.	.	I	π-helix	trans	-131	-59.2	-174.5	-178.1	-100.5	0	0	0	113.2	A221 S229 F459 V460 W463 L464 T467	A221-F225 PolarHBondContact O-N 3.3Å; A221-F225 VanDerWaalsContact O-N 3.15Å; F225-S229 WeakPolarHBondContact O-CB 3.48Å; F225-S229 PolarHBondContact O-N 3.13Å; F225-S229 PolarHBondContact O-OG 3.22Å; F225-F459 AromaticContact CD2-CE1 3.98Å; F225-F459 HydrophobicContact CD2-CE1 3.98Å; F225-F459 HydrophobicContact CD2-CZ 4.41Å; F225-F459 AromaticContact CE2-CE1 4Å; F225-F459 HydrophobicContact CE2-CE1 4Å; F225-V460 HydrophobicContact CZ-CG1 4.39Å; F225-W463 HydrophobicContact CD2-CB 3.77Å; F225-W463 HydrophobicContact CE2-CB 3.4Å; F225-W463 VanDerWaalsContact CE2-CB 3.4Å; F225-W463 HydrophobicContact CZ-CB 4.24Å; F225-L464 HydrophobicContact CE1-CB 4.29Å; F225-L464 HydrophobicContact CE1-CD1 3.8Å; F225-L464 HydrophobicContact CZ-CB 3.9Å; F225-L464 HydrophobicContact CZ-CD1 4.22Å; F225-T467 HydrophobicContact CB-CG2 3.77Å; F225-T467 HydrophobicContact CD1-CG2 3.65Å; F225-T467 HydrophobicContact CG-CG2 3.88Å
226	F	94.8	Very high	93.2	Very high	55 Å²	55	44.9 Å²	44.9	24%	0.241	24%	0.235	C	C	.	.	I	π-helix	trans	-67.3	-50.1	-169.9	-70.4	-75.8	0	0	0	113	A221 I222 S229 L230 L464 T467 L471	A221-F226 HydrophobicContact CB-CD2 4.32Å; A221-F226 HydrophobicContact CB-CE2 4.23Å; A221-F226 WeakPolarHBondContact O-CD2 3.38Å; A221-F226 PolarHBondContact O-N 3.12Å; A221-F226 VanDerWaalsContact O-N 3.15Å; I222-F226 PolarHBondContact O-N 3.33Å; F226-S229 PolarHBondContact O-N 2.91Å; F226-L230 WeakPolarHBondContact O-CB 3.41Å; F226-L230 WeakPolarHBondContact O-CG 3.38Å; F226-L230 PolarHBondContact O-N 3.08Å; F226-L464 HydrophobicContact CE1-CD1 4.46Å; F226-T467 HydrophobicContact CD2-CG2 4.18Å; F226-T467 HydrophobicContact CE2-CG2 3.61Å; F226-T467 HydrophobicContact CZ-CG2 4.15Å; F226-L471 HydrophobicContact CE2-CD2 3.84Å; F226-L471 HydrophobicContact CZ-CD2 4.16Å
227	V	95.6	Very high	93.7	Very high	84 Å²	84	49.4 Å²	49.4	51%	0.509	26%	0.26	S	S	.	.	H	α-helix	trans	-62.8	-49.4	177.9	167.1	0	0	0	0	111.3	I222 S229 L230 L231	I222-V227 HydrophobicContact CG2-CG2 3.57Å; I222-V227 WeakPolarHBondContact O-CB 3.49Å; I222-V227 PolarHBondContact O-N 3.42Å; V227-S229 PolarHBondContact O-N 2.96Å; V227-L230 PolarHBondContact O-N 3.05Å; V227-L231 WeakPolarHBondContact O-CB 3.48Å; V227-L231 PolarHBondContact O-N 2.82Å
228	P	96.1	Very high	94.2	Very high	5 Å²	5	53.7 Å²	53.7	3%	0.032	28%	0.276	C	S	.	.	H	α-helix	trans	-57.1	-44.3	174.3	-29.9	38.3	0	0	0	114.2	T148 F149 S223 L231 V232	T148-P228 HydrophobicContact CG2-CB 3.32Å; T148-P228 HydrophobicContact CG2-CG 3.84Å; F149-P228 HydrophobicContact CE1-CG 3.99Å; S223-P228 WeakPolarHBondContact O-CD 3.1Å; S223-P228 WeakPolarHBondContact O-CG 3.23Å; P228-L231 PolarHBondContact O-N 3.37Å; P228-V232 WeakPolarHBondContact O-CB 3.44Å; P228-V232 VanDerWaalsContact O-CG2 3.23Å; P228-V232 WeakPolarHBondContact O-CG2 3.45Å; P228-V232 PolarHBondContact O-N 3.02Å
229	S	95.1	Very high	94.4	Very high	20 Å²	20	48.3 Å²	48.3	14%	0.14	25%	0.252	C	S	.	.	H	α-helix	trans	-67.4	-40.3	-178.9	-62.8	0	0	0	0	112.1	F225 F226 V227 V232 G233	F225-S229 WeakPolarHBondContact O-CB 3.48Å; F225-S229 PolarHBondContact O-N 3.13Å; F225-S229 PolarHBondContact O-OG 3.22Å; F226-S229 PolarHBondContact O-N 2.91Å; V227-S229 PolarHBondContact O-N 2.96Å; S229-V232 PolarHBondContact O-N 3.07Å; S229-G233 PolarHBondContact O-N 2.66Å
230	L	95.6	Very high	94.7	Very high	127 Å²	127	48.1 Å²	48.1	67%	0.665	25%	0.248	S	C	*	.	H	α-helix	trans	-64.9	-43.9	174.2	-72	173.4	0	0	0	111.6	F226 V227 G233 F234	F226-L230 WeakPolarHBondContact O-CB 3.41Å; F226-L230 WeakPolarHBondContact O-CG 3.38Å; F226-L230 PolarHBondContact O-N 3.08Å; V227-L230 PolarHBondContact O-N 3.05Å; L230-G233 PolarHBondContact O-N 3.42Å; L230-F234 WeakPolarHBondContact O-CB 3.45Å; L230-F234 PolarHBondContact O-N 3.5Å
231	L	95.8	Very high	94.9	Very high	82 Å²	82	53.9 Å²	53.9	43%	0.429	27%	0.269	S	S	.	.	H	α-helix	trans	-59.2	-49.7	175.8	174.1	64.4	0	0	0	111.2	V227 P228 F234 I235	V227-L231 WeakPolarHBondContact O-CB 3.48Å; V227-L231 PolarHBondContact O-N 2.82Å; P228-L231 PolarHBondContact O-N 3.37Å; L231-F234 PolarHBondContact O-N 2.98Å; L231-I235 HydrophobicContact CD1-CD1 4.07Å; L231-I235 HydrophobicContact CD1-CG1 4.49Å; L231-I235 HydrophobicContact CG-CD1 4.04Å; L231-I235 VanDerWaalsContact O-CG1 3.29Å; L231-I235 WeakPolarHBondContact O-CG1 3.35Å; L231-I235 PolarHBondContact O-N 3.28Å
232	V	96.4	Very high	95	Very high	5 Å²	5	54.5 Å²	54.5	3%	0.03	27%	0.273	C	S	.	.	H	α-helix	trans	-63.5	-46.6	179.1	169.4	0	0	0	0	110.5	I151 C152 S155 P228 S229 F234 I235 Y236 V456	I151-V232 HydrophobicContact CG2-CG1 4.35Å; I151-V232 HydrophobicContact CG2-CG2 4.3Å; C152-V232 HydrophobicContact CB-CG2 4.42Å; S155-V232 WeakPolarHBondContact OG-CG1 3.31Å; P228-V232 WeakPolarHBondContact O-CB 3.44Å; P228-V232 VanDerWaalsContact O-CG2 3.23Å; P228-V232 WeakPolarHBondContact O-CG2 3.45Å; P228-V232 PolarHBondContact O-N 3.02Å; S229-V232 PolarHBondContact O-N 3.07Å; V232-F234 VanDerWaalsContact C-N 3.35Å; V232-F234 PolarHBondContact O-N 3.26Å; V232-I235 WeakPolarHBondContact O-CB 3.15Å; V232-I235 PolarHBondContact O-N 3.49Å; V232-I235 VanDerWaalsContact O-N 3.14Å; V232-Y236 HydrophobicContact CG1-CD2 3.77Å; V232-Y236 HydrophobicContact CG1-CE2 3.87Å; V232-Y236 VanDerWaalsContact O-CD2 3.31Å; V232-Y236 WeakPolarHBondContact O-CD2 3.38Å; V232-Y236 PolarHBondContact O-N 2.96Å; V232-V456 HydrophobicContact CG1-CB 4.23Å; V232-V456 HydrophobicContact CG1-CG1 3.29Å; V232-V456 HydrophobicContact CG1-CG2 3.87Å
233	G	95.4	Very high	95	Very high	30 Å²	30	52.7 Å²	52.7	31%	0.309	26%	0.263	S	S	.	.	H	α-helix	trans	-55.3	-48.3	175.5	0	0	0	0	0	112.1	S229 L230 I235 Y236 I237	S229-G233 PolarHBondContact O-N 2.66Å; L230-G233 PolarHBondContact O-N 3.42Å; G233-I235 PolarHBondContact O-N 2.79Å; G233-Y236 PolarHBondContact O-N 3.33Å; G233-I237 VanDerWaalsContact O-CG1 3.26Å; G233-I237 WeakPolarHBondContact O-CG1 3.14Å; G233-I237 PolarHBondContact O-N 2.97Å
234	F	96.1	Very high	95	Very high	113 Å²	113	59.3 Å²	59.3	50%	0.496	28%	0.282	S	S	.	.	H	α-helix	trans	-58.7	-45.1	175.3	174.3	-99.3	0	0	0	112.4	L230 L231 V232 Y236 I237 R238	L230-F234 WeakPolarHBondContact O-CB 3.45Å; L230-F234 PolarHBondContact O-N 3.5Å; L231-F234 PolarHBondContact O-N 2.98Å; V232-F234 VanDerWaalsContact C-N 3.35Å; V232-F234 PolarHBondContact O-N 3.26Å; F234-Y236 PolarHBondContact O-N 2.71Å; F234-I237 PolarHBondContact O-N 3.26Å; F234-R238 HydrophobicContact CE1-CG 4.12Å; F234-R238 HydrophobicContact CE2-CG 4.27Å; F234-R238 HydrophobicContact CZ-CG 3.99Å; F234-R238 WeakPolarHBondContact O-CG 3.32Å; F234-R238 PolarHBondContact O-N 2.92Å
235	I	97.1	Very high	94.9	Very high	13 Å²	13	65 Å²	65	7%	0.067	30%	0.302	C	S	.	.	H	α-helix	trans	-58.5	-46.9	176.7	-74	167.9	0	0	0	110.7	V156 Y159 L231 V232 G233 R238 I239	V156-I235 HydrophobicContact CG2-CD1 3.98Å; Y159-I235 HydrophobicContact CD2-CG2 4.17Å; Y159-I235 HydrophobicContact CG-CG2 4.37Å; L231-I235 HydrophobicContact CD1-CD1 4.07Å; L231-I235 HydrophobicContact CD1-CG1 4.49Å; L231-I235 HydrophobicContact CG-CD1 4.04Å; L231-I235 VanDerWaalsContact O-CG1 3.29Å; L231-I235 WeakPolarHBondContact O-CG1 3.35Å; L231-I235 PolarHBondContact O-N 3.28Å; V232-I235 WeakPolarHBondContact O-CB 3.15Å; V232-I235 PolarHBondContact O-N 3.49Å; V232-I235 VanDerWaalsContact O-N 3.14Å; G233-I235 PolarHBondContact O-N 2.79Å; I235-R238 WeakPolarHBondContact O-CB 3.24Å; I235-R238 PolarHBondContact O-N 3.48Å; I235-I239 HydrophobicContact CG2-CD1 3.65Å; I235-I239 HydrophobicContact CG2-CG1 4.31Å; I235-I239 VanDerWaalsContact O-CG1 3.27Å; I235-I239 WeakPolarHBondContact O-CG1 3.46Å; I235-I239 PolarHBondContact O-N 3.37Å
236	Y	96.1	Very high	94.5	Very high	13 Å²	13	67 Å²	67	5%	0.051	31%	0.309	C	S	.	.	H	α-helix	trans	-68.6	-39.4	-179.3	-86.2	-81.8	0	0	0	113.1	S155 V232 G233 F234 R238 I239 F240 V449 V452 A453 V456	S155-Y236 WeakPolarHBondContact OG-CE2 3.47Å; V232-Y236 HydrophobicContact CG1-CD2 3.77Å; V232-Y236 HydrophobicContact CG1-CE2 3.87Å; V232-Y236 VanDerWaalsContact O-CD2 3.31Å; V232-Y236 WeakPolarHBondContact O-CD2 3.38Å; V232-Y236 PolarHBondContact O-N 2.96Å; G233-Y236 PolarHBondContact O-N 3.33Å; F234-Y236 PolarHBondContact O-N 2.71Å; Y236-R238 VanDerWaalsContact C-N 3.28Å; Y236-R238 PolarHBondContact O-N 3.39Å; Y236-I239 HydrophobicContact CD1-CD1 4.37Å; Y236-I239 HydrophobicContact CE1-CD1 4.43Å; Y236-I239 PolarHBondContact O-N 3.05Å; Y236-I239 VanDerWaalsContact O-N 3.15Å; Y236-F240 HydrophobicContact CD1-CE2 4.04Å; Y236-F240 WeakPolarHBondContact O-CD2 3.25Å; Y236-F240 PolarHBondContact O-N 3.07Å; Y236-V449 HydrophobicContact CE1-CG1 4.33Å; Y236-V452 WeakPolarHBondContact OH-CB 3.42Å; Y236-V452 WeakPolarHBondContact OH-CG1 3.5Å; Y236-A453 HydrophobicContact CD1-CB 3.83Å; Y236-A453 HydrophobicContact CE1-CB 3.62Å; Y236-V456 HydrophobicContact CD2-CG1 4.18Å; Y236-V456 HydrophobicContact CD2-CG2 4.33Å; Y236-V456 HydrophobicContact CE2-CB 4.23Å; Y236-V456 HydrophobicContact CE2-CG1 4.22Å; Y236-V456 HydrophobicContact CE2-CG2 3.55Å
237	I	95.8	Very high	94	Very high	121 Å²	121	66.5 Å²	66.5	62%	0.621	31%	0.312	S	S	*	.	H	α-helix	trans	-55.5	-47.6	172.3	-69.7	164.6	0	0	0	109.8	G233 F234 F240 W241	G233-I237 VanDerWaalsContact O-CG1 3.26Å; G233-I237 WeakPolarHBondContact O-CG1 3.14Å; G233-I237 PolarHBondContact O-N 2.97Å; F234-I237 PolarHBondContact O-N 3.26Å; I237-F240 PolarHBondContact O-N 3.3Å; I237-W241 WeakPolarHBondContact O-CB 3.48Å; I237-W241 PolarHBondContact O-N 2.98Å
238	R	96.4	Very high	93.2	Very high	115 Å²	115	69 Å²	69	43%	0.434	32%	0.316	S	S	.	.	H	α-helix	trans	-62.4	-43.8	175.9	-72.5	-69.2	-164.3	168.9	2.9	112.2	Y159 F234 I235 Y236 W241 V242	Y159-R238 HydrophobicContact CE2-CB 3.95Å; F234-R238 HydrophobicContact CE1-CG 4.12Å; F234-R238 HydrophobicContact CE2-CG 4.27Å; F234-R238 HydrophobicContact CZ-CG 3.99Å; F234-R238 WeakPolarHBondContact O-CG 3.32Å; F234-R238 PolarHBondContact O-N 2.92Å; I235-R238 WeakPolarHBondContact O-CB 3.24Å; I235-R238 PolarHBondContact O-N 3.48Å; Y236-R238 VanDerWaalsContact C-N 3.28Å; Y236-R238 PolarHBondContact O-N 3.39Å; R238-W241 PolarHBondContact O-N 2.89Å; R238-V242 VanDerWaalsContact O-CG2 3.3Å; R238-V242 WeakPolarHBondContact O-CG2 3.44Å; R238-V242 PolarHBondContact O-N 3.3Å
239	I	95.4	Very high	92.3	Very high	0 Å²	0	73.7 Å²	73.7	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-58.9	-49.9	177.4	-72.4	168	0	0	0	110.6	R158 Y159 I162 I235 Y236 W241 V242 I243 V449	R158-I239 HydrophobicContact CB-CD1 4.19Å; Y159-I239 HydrophobicContact CD2-CG1 4.03Å; I162-I239 HydrophobicContact CG1-CG2 4.23Å; I162-I239 HydrophobicContact CG2-CG2 4.47Å; I235-I239 HydrophobicContact CG2-CD1 3.65Å; I235-I239 HydrophobicContact CG2-CG1 4.31Å; I235-I239 VanDerWaalsContact O-CG1 3.27Å; I235-I239 WeakPolarHBondContact O-CG1 3.46Å; I235-I239 PolarHBondContact O-N 3.37Å; Y236-I239 HydrophobicContact CD1-CD1 4.37Å; Y236-I239 HydrophobicContact CE1-CD1 4.43Å; Y236-I239 PolarHBondContact O-N 3.05Å; Y236-I239 VanDerWaalsContact O-N 3.15Å; I239-W241 VanDerWaalsContact C-N 3.35Å; I239-W241 PolarHBondContact O-N 3.18Å; I239-V242 PolarHBondContact O-N 3.14Å; I239-I243 HydrophobicContact CG2-CD1 3.64Å; I239-I243 HydrophobicContact CG2-CG1 4.41Å; I239-I243 WeakPolarHBondContact O-CB 3.13Å; I239-I243 VanDerWaalsContact O-CG1 3.27Å; I239-I243 WeakPolarHBondContact O-CG1 3.32Å; I239-I243 PolarHBondContact O-N 3.39Å; I239-V449 HydrophobicContact CG2-CG1 3.55Å; I239-V449 HydrophobicContact CG2-CG2 4.46Å
240	F	94.4	Very high	91.2	Very high	100 Å²	100	76 Å²	76	44%	0.439	35%	0.346	S	S	.	.	H	α-helix	trans	-64.5	-39	179.8	-76.8	-63.1	0	0	0	112.2	Y236 I237 I243 R244 A453	Y236-F240 HydrophobicContact CD1-CE2 4.04Å; Y236-F240 WeakPolarHBondContact O-CD2 3.25Å; Y236-F240 PolarHBondContact O-N 3.07Å; I237-F240 PolarHBondContact O-N 3.3Å; F240-I243 PolarHBondContact O-N 3.23Å; F240-R244 WeakPolarHBondContact O-CB 3.38Å; F240-R244 PolarHBondContact O-N 3.3Å; F240-A453 HydrophobicContact CE2-CB 4.25Å; F240-A453 HydrophobicContact CZ-CB 3.91Å
241	W	94.9	Very high	89.9	Confident	132 Å²	132	77.4 Å²	77.4	50%	0.5	35%	0.346	S	S	.	.	H	α-helix	trans	-60.3	-47.6	174.2	-177	89.7	0	0	0	112.1	I237 R238 I239 I243 R244 R245	I237-W241 WeakPolarHBondContact O-CB 3.48Å; I237-W241 PolarHBondContact O-N 2.98Å; R238-W241 PolarHBondContact O-N 2.89Å; I239-W241 VanDerWaalsContact C-N 3.35Å; I239-W241 PolarHBondContact O-N 3.18Å; W241-I243 VanDerWaalsContact C-N 3.33Å; W241-I243 PolarHBondContact O-N 3.39Å; W241-R244 PolarHBondContact O-N 2.83Å; W241-R245 VanDerWaalsContact CH2-NH1 3.32Å; W241-R245 WeakPolarHBondContact O-CB 3.34Å; W241-R245 PolarHBondContact O-N 3.05Å
242	V	93.3	Very high	88.2	Confident	14 Å²	14	81.3 Å²	81.3	9%	0.085	36%	0.36	C	S	.	.	H	α-helix	trans	-62	-41.4	176.4	172.5	0	0	0	0	111.1	I162 N163 R238 I239 R245 R246	I162-V242 HydrophobicContact CG2-CB 4.47Å; I162-V242 HydrophobicContact CG2-CG1 3.99Å; N163-V242 WeakPolarHBondContact OD1-CG2 3.14Å; R238-V242 VanDerWaalsContact O-CG2 3.3Å; R238-V242 WeakPolarHBondContact O-CG2 3.44Å; R238-V242 PolarHBondContact O-N 3.3Å; I239-V242 PolarHBondContact O-N 3.14Å; V242-R245 PolarHBondContact O-N 3.14Å; V242-R246 PolarHBondContact O-N 3.04Å
243	I	92.6	Very high	86.4	Confident	13 Å²	13	82.9 Å²	82.9	7%	0.067	38%	0.377	C	S	.	.	H	α-helix	trans	-62.9	-44.8	178.1	-70.9	167.5	0	0	0	111.3	I162 I239 F240 W241 S247 Y442 K446 V449	I162-I243 HydrophobicContact CD1-CD1 4.48Å; I162-I243 HydrophobicContact CG2-CG1 4.09Å; I239-I243 HydrophobicContact CG2-CD1 3.64Å; I239-I243 HydrophobicContact CG2-CG1 4.41Å; I239-I243 WeakPolarHBondContact O-CB 3.13Å; I239-I243 VanDerWaalsContact O-CG1 3.27Å; I239-I243 WeakPolarHBondContact O-CG1 3.32Å; I239-I243 PolarHBondContact O-N 3.39Å; F240-I243 PolarHBondContact O-N 3.23Å; W241-I243 VanDerWaalsContact C-N 3.33Å; W241-I243 PolarHBondContact O-N 3.39Å; I243-S247 VanDerWaalsContact O-CB 3.28Å; I243-S247 WeakPolarHBondContact O-CB 3.44Å; I243-S247 PolarHBondContact O-N 2.86Å; I243-Y442 VanDerWaalsContact CA-OH 3.31Å; I243-Y442 WeakPolarHBondContact CA-OH 3.31Å; I243-K446 HydrophobicContact CD1-CG 4.34Å; I243-K446 HydrophobicContact CG2-CD 3.97Å; I243-K446 HydrophobicContact CG2-CG 4.42Å; I243-V449 HydrophobicContact CD1-CG1 4.17Å
244	R	91.1	Very high	84.2	Confident	181 Å²	181	86.8 Å²	86.8	68%	0.683	39%	0.391	S	S	*	.	H	α-helix	trans	-63.2	-44	177.6	-175.3	175.7	171.6	96.7	-3.9	111	F240 W241 S247 K248	F240-R244 WeakPolarHBondContact O-CB 3.38Å; F240-R244 PolarHBondContact O-N 3.3Å; W241-R244 PolarHBondContact O-N 2.83Å; R244-S247 PolarHBondContact O-N 2.99Å; R244-K248 PolarHBondContact O-N 3.24Å
245	R	90.5	Very high	81.8	Confident	137 Å²	137	88 Å²	88	52%	0.517	40%	0.397	S	S	.	.	H	α-helix	trans	-60.1	-53	177.3	-176.6	175	176.6	163	3.4	112	W241 V242 S247 K248 E249	W241-R245 VanDerWaalsContact CH2-NH1 3.32Å; W241-R245 WeakPolarHBondContact O-CB 3.34Å; W241-R245 PolarHBondContact O-N 3.05Å; V242-R245 PolarHBondContact O-N 3.14Å; R245-S247 VanDerWaalsContact C-N 3.31Å; R245-S247 PolarHBondContact O-N 3.36Å; R245-K248 WeakPolarHBondContact O-CB 3.36Å; R245-K248 PolarHBondContact O-N 3.05Å; R245-K248 VanDerWaalsContact O-N 3.12Å; R245-E249 IonicContact NE-OE1 3.84Å; R245-E249 PolarHBondContact O-N 3.22Å
246	R	86.9	Confident	79.2	Confident	48 Å²	48	90.7 Å²	90.7	18%	0.181	42%	0.416	C	S	.	.	H	α-helix	trans	-67.7	-30.3	-179.4	-70.9	-176.8	-179.3	173.6	7.5	113.3	I162 N163 V242 K248 E249 F250	I162-R246 PolarHBondContact O-NH1 2.9Å; N163-R246 PolarHBondContact O-NH2 2.93Å; V242-R246 PolarHBondContact O-N 3.04Å; R246-K248 PolarHBondContact O-N 3.42Å; R246-E249 PolarHBondContact O-N 3.32Å; R246-F250 HydrophobicContact CB-CD2 4.49Å; R246-F250 HydrophobicContact CB-CE2 4.26Å; R246-F250 WeakPolarHBondContact O-CD2 3.08Å; R246-F250 PolarHBondContact O-N 2.94Å
247	S	82.5	Confident	76.7	Confident	44 Å²	44	93.8 Å²	93.8	31%	0.308	44%	0.44	S	S	.	.	H	α-helix	trans	-63.7	-27.8	174.7	-168.5	0	0	0	0	112.5	I243 R244 R245 K251	I243-S247 VanDerWaalsContact O-CB 3.28Å; I243-S247 WeakPolarHBondContact O-CB 3.44Å; I243-S247 PolarHBondContact O-N 2.86Å; R244-S247 PolarHBondContact O-N 2.99Å; R245-S247 VanDerWaalsContact C-N 3.31Å; R245-S247 PolarHBondContact O-N 3.36Å; S247-K251 WeakPolarHBondContact O-CG 3.32Å; S247-K251 PolarHBondContact O-N 2.95Å
248	K	79.9	Confident	73.7	Confident	135 Å²	135	92.7 Å²	92.7	59%	0.587	44%	0.435	S	S	*	.	H	α-helix	trans	-74	-42	173.3	-65	-179.3	177.5	-169.8	0	111.1	R244 R245 R246 F250 K251 F252	R244-K248 PolarHBondContact O-N 3.24Å; R245-K248 WeakPolarHBondContact O-CB 3.36Å; R245-K248 PolarHBondContact O-N 3.05Å; R245-K248 VanDerWaalsContact O-N 3.12Å; R246-K248 PolarHBondContact O-N 3.42Å; K248-F250 PolarHBondContact O-N 3.31Å; K248-K251 PolarHBondContact O-N 3.35Å; K248-F252 PolarHBondContact O-N 3.49Å
249	E	78	Confident	71	Confident	105 Å²	105	92.4 Å²	92.4	49%	0.491	45%	0.448	S	S	.	.	H	α-helix	trans	-61.1	-42.8	177.8	-66.2	167.3	-168.2	0	0	112.1	R245 R246 F252 G253	R245-E249 IonicContact NE-OE1 3.84Å; R245-E249 PolarHBondContact O-N 3.22Å; R246-E249 PolarHBondContact O-N 3.32Å; E249-F252 PolarHBondContact O-N 3.36Å; E249-G253 PolarHBondContact O-N 2.93Å
250	F	71.5	Confident	68.3	Low	68 Å²	68	101.6 Å²	101.6	30%	0.298	49%	0.488	S	S	.	.	H	α-helix	trans	-69.9	-31.6	177.3	-71.2	-59.7	0	0	0	113.6	R246 K248 N254 L439 Y442	R246-F250 HydrophobicContact CB-CD2 4.49Å; R246-F250 HydrophobicContact CB-CE2 4.26Å; R246-F250 WeakPolarHBondContact O-CD2 3.08Å; R246-F250 PolarHBondContact O-N 2.94Å; K248-F250 PolarHBondContact O-N 3.31Å; F250-N254 PolarHBondContact O-N 3.42Å; F250-N254 VanDerWaalsContact O-N 3.12Å; F250-L439 HydrophobicContact CD1-CD1 3.97Å; F250-L439 HydrophobicContact CD1-CD2 4.4Å; F250-L439 HydrophobicContact CD2-CD1 4.04Å; F250-L439 HydrophobicContact CE1-CB 4.41Å; F250-L439 HydrophobicContact CE1-CD1 3.72Å; F250-L439 HydrophobicContact CE1-CD2 4.4Å; F250-L439 HydrophobicContact CE1-CG 4.39Å; F250-L439 HydrophobicContact CE2-CD1 3.78Å; F250-L439 HydrophobicContact CG-CD1 4.14Å; F250-L439 HydrophobicContact CZ-CD1 3.63Å; F250-Y442 HydrophobicContact CE2-CD1 4.1Å; F250-Y442 HydrophobicContact CE2-CE1 4.07Å
251	K	68.7	Low	65.6	Low	156 Å²	156	102.3 Å²	102.3	68%	0.678	49%	0.493	S	S	*	.	H	α-helix	trans	-66.6	-41.3	172.8	-75.8	-178.4	177.8	-165.9	0	111.2	S247 K248 N254 F255	S247-K251 WeakPolarHBondContact O-CG 3.32Å; S247-K251 PolarHBondContact O-N 2.95Å; K248-K251 PolarHBondContact O-N 3.35Å; K251-N254 PolarHBondContact O-N 3.33Å; K251-F255 PolarHBondContact O-N 3.45Å
252	F	60	Low	62.8	Low	164 Å²	164	101.7 Å²	101.7	72%	0.719	50%	0.496	S	S	*	.	H	α-helix	trans	-68.2	-41.3	177.1	-165	-97.1	0	0	0	112.4	K248 E249 N254 F255 S256	K248-F252 PolarHBondContact O-N 3.49Å; E249-F252 PolarHBondContact O-N 3.36Å; F252-N254 VanDerWaalsContact C-N 3.32Å; F252-N254 PolarHBondContact O-N 3.37Å; F252-F255 PolarHBondContact O-N 3.36Å; F252-S256 PolarHBondContact O-N 3.32Å; F252-S256 VanDerWaalsContact O-N 3.1Å
253	G	57.6	Low	60	Low	38 Å²	38	112.5 Å²	112.5	39%	0.392	54%	0.535	S	S	.	.	H	α-helix	trans	-63.6	-34.3	176	0	0	0	0	0	113.7	E249 S257	E249-G253 PolarHBondContact O-N 2.93Å; G253-S257 WeakPolarHBondContact O-CB 3.26Å; G253-S257 PolarHBondContact O-N 3Å; G253-S257 PolarHBondContact O-OG 3.49Å
254	N	50.2	Low	57.3	Low	113 Å²	113	122 Å²	122	60%	0.604	58%	0.576	S	S	*	*	H	α-helix	trans	-70.7	-36	174.7	-79.6	1	0	0	0	112.4	F250 K251 F252 S257	F250-N254 PolarHBondContact O-N 3.42Å; F250-N254 VanDerWaalsContact O-N 3.12Å; K251-N254 PolarHBondContact O-N 3.33Å; F252-N254 VanDerWaalsContact C-N 3.32Å; F252-N254 PolarHBondContact O-N 3.37Å; N254-S257 WeakPolarHBondContact CA-OG 3.27Å; N254-S257 PolarHBondContact O-N 2.95Å; N254-S257 PolarHBondContact O-OG 3.07Å
255	F	44.9	Very low	54.5	Low	139 Å²	139	115.5 Å²	115.5	61%	0.61	57%	0.565	S	S	*	*	H	α-helix	trans	-66.1	-41	176.2	-148.7	-91.6	0	0	0	111.5	K251 F252 S257 E261	K251-F255 PolarHBondContact O-N 3.45Å; F252-F255 PolarHBondContact O-N 3.36Å; F255-S257 VanDerWaalsContact C-N 3.26Å; F255-S257 PolarHBondContact O-N 2.8Å; F255-E261 WeakPolarHBondContact CE1-OE2 3.41Å
256	S	42.6	Very low	52	Low	68 Å²	68	114.3 Å²	114.3	48%	0.476	58%	0.578	S	S	.	*	H	α-helix	trans	-70.6	-17.2	175.8	-172.6	0	0	0	0	114.1	F252 H262	F252-S256 PolarHBondContact O-N 3.32Å; F252-S256 VanDerWaalsContact O-N 3.1Å; S256-H262 PolarHBondContact O-CD2 3.42Å; S256-H262 PolarHBondContact O-NE2 2.97Å
257	S	43.1	Very low	49.6	Very low	79 Å²	79	121 Å²	121	55%	0.552	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.7	2	-177.6	66.5	0	0	0	0	114.7	G253 N254 F255 P259	G253-S257 WeakPolarHBondContact O-CB 3.26Å; G253-S257 PolarHBondContact O-N 3Å; G253-S257 PolarHBondContact O-OG 3.49Å; N254-S257 WeakPolarHBondContact CA-OG 3.27Å; N254-S257 PolarHBondContact O-N 2.95Å; N254-S257 PolarHBondContact O-OG 3.07Å; F255-S257 VanDerWaalsContact C-N 3.26Å; F255-S257 PolarHBondContact O-N 2.8Å; S257-P259 VanDerWaalsContact O-CD 3.24Å; S257-P259 WeakPolarHBondContact O-CD 3.46Å
258	N	32.2	Very low	47.5	Very low	97 Å²	97	128.3 Å²	128.3	52%	0.519	64%	0.635	S	S	.	*			trans	-77.2	110	175.9	-128.1	-9.5	0	0	0	109	K260 E261	N258-K260 PolarHBondContact O-N 2.7Å; N258-E261 PolarHBondContact O-N 2.98Å
259	P	40.9	Very low	45.6	Very low	109 Å²	109	129.2 Å²	129.2	71%	0.708	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.6	-5.5	-170.4	16.2	-15.3	0	0	0	114.1	S257	S257-P259 VanDerWaalsContact O-CD 3.24Å; S257-P259 WeakPolarHBondContact O-CD 3.46Å
260	K	38	Very low	43.6	Very low	194 Å²	194	130.6 Å²	130.6	84%	0.843	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.8	-19.1	-178.4	-66.3	-173.1	176.5	-176.7	0	114.4	N258	N258-K260 PolarHBondContact O-N 2.7Å
261	E	39.2	Very low	41.9	Very low	115 Å²	115	136.6 Å²	136.6	54%	0.537	68%	0.682	S	S	.	*	T	Hydrogen-bonded Turn	trans	-97.7	-12.1	177.4	-83.9	-177.1	154.4	0	0	113.9	F255 N258 R263 F264	F255-E261 WeakPolarHBondContact CE1-OE2 3.41Å; N258-E261 PolarHBondContact O-N 2.98Å; E261-R263 PolarHBondContact O-N 3.45Å; E261-R263 VanDerWaalsContact O-N 3.1Å; E261-F264 PolarHBondContact O-N 3.02Å
262	H	35.2	Very low	40.1	Very low	119 Å²	119	135.8 Å²	135.8	55%	0.551	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.6	-4.1	-177.3	-109.8	-76.3	0	0	0	114.9	S256	S256-H262 PolarHBondContact O-CD2 3.42Å; S256-H262 PolarHBondContact O-NE2 2.97Å
263	R	35.1	Very low	38.8	Very low	241 Å²	241	134.2 Å²	134.2	91%	0.909	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.9	-10.8	179	-152.2	178.8	-102.8	-170.8	-5.4	113.3	E261	E261-R263 PolarHBondContact O-N 3.45Å; E261-R263 VanDerWaalsContact O-N 3.1Å
264	F	34.7	Very low	37.8	Very low	211 Å²	211	139.6 Å²	139.6	93%	0.925	71%	0.709	S	S	*	*	S	Bend	trans	-119.7	-0.1	-175.2	-136.4	-99.6	0	0	0	115.1	E261	E261-F264 PolarHBondContact O-N 3.02Å
265	G	33.5	Very low	37.1	Very low	45 Å²	45	141.8 Å²	141.8	46%	0.464	72%	0.72	S	S	.	*			trans	-108	6.2	-174	0	0	0	0	0	116.5	F267 K268	G265-F267 PolarHBondContact O-N 3.09Å; G265-K268 PolarHBondContact O-N 3.2Å
266	S	36.5	Very low	36.6	Very low	113 Å²	113	142.6 Å²	142.6	79%	0.79	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.7	-8.7	-170.1	-136.3	0	0	0	0	115.1
267	F	37.3	Very low	36.2	Very low	188 Å²	188	149.9 Å²	149.9	83%	0.825	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.4	-10.8	-177.8	-125.8	-95.5	0	0	0	114.7	G265	G265-F267 PolarHBondContact O-N 3.09Å
268	K	38.1	Very low	35.9	Very low	197 Å²	197	153.9 Å²	153.9	86%	0.857	76%	0.763	S	S	*	*	S	Bend	trans	-98.7	4.5	-170.3	-127.2	175.7	-174.3	174.3	0	115.8	G265	G265-K268 PolarHBondContact O-N 3.2Å
269	L	39.4	Very low	36.1	Very low	155 Å²	155	158.2 Å²	158.2	81%	0.812	78%	0.781	S	S	*	*			trans	-103.9	9	-176	-114	150.1	0	0	0	114.3	F271	L269-F271 VanDerWaalsContact C-N 3.27Å; L269-F271 PolarHBondContact O-N 3.1Å
270	L	37.6	Very low	35.8	Very low	134 Å²	134	158.4 Å²	158.4	70%	0.702	78%	0.784	S	S	*	*	S	Bend	trans	-79.8	-3	175.5	-80.4	163.7	0	0	0	114.1
271	F	34.9	Very low	35.9	Very low	193 Å²	193	159 Å²	159	85%	0.846	79%	0.788	S	S	*	*			trans	-135.8	84.3	-179	-68.5	-82.6	0	0	0	111.8	L269	L269-F271 VanDerWaalsContact C-N 3.27Å; L269-F271 PolarHBondContact O-N 3.1Å
272	N	31.1	Very low	35.7	Very low	140 Å²	140	156.7 Å²	156.7	75%	0.749	80%	0.795	S	S	*	*			trans	-159.6	107.1	146	-149.5	-22.7	0	0	0	112.2	N274	N272-N274 PolarHBondContact O-N 3.19Å
273	T	32.7	Very low	35.7	Very low	131 Å²	131	160.4 Å²	160.4	80%	0.804	81%	0.812	S	S	*	*			trans	-74.9	100	178.2	36.5	0	0	0	0	110.7
274	N	36.3	Very low	35.7	Very low	151 Å²	151	159 Å²	159	81%	0.807	81%	0.812	S	S	*	*			trans	-158.7	29	166.1	-96	-37.9	0	0	0	114.7	N272	N272-N274 PolarHBondContact O-N 3.19Å
275	N	35.2	Very low	35.8	Very low	158 Å²	158	157.3 Å²	157.3	85%	0.845	81%	0.81	S	S	*	*			trans	-104.9	18.9	-175	-118	2	0	0	0	115.5
276	I	35.3	Very low	35.7	Very low	157 Å²	157	163 Å²	163	81%	0.805	83%	0.83	S	S	*	*	S	Bend	trans	-96.2	-6.1	-171.2	-64.5	177.5	0	0	0	114.2
277	Y	33.3	Very low	35.4	Very low	220 Å²	220	168.7 Å²	168.7	86%	0.863	83%	0.833	S	S	*	*	S	Bend	trans	-108.1	9.3	-171.4	-108.7	-86.3	0	0	0	118.2
278	N	37	Very low	35.2	Very low	163 Å²	163	169.8 Å²	169.8	87%	0.872	84%	0.838	S	S	*	*	S	Bend	trans	-124.3	17.5	-176.1	-93.8	-28.3	0	0	0	115.8
279	Q	36.8	Very low	35	Very low	188 Å²	188	166.2 Å²	166.2	88%	0.879	84%	0.838	S	S	*	*	S	Bend	trans	-91	1.9	-174	-141	171.2	4.1	0	0	115.4
280	S	35.2	Very low	34.5	Very low	113 Å²	113	167.2 Å²	167.2	79%	0.79	84%	0.843	S	S	*	*	S	Bend	trans	-107.3	0.1	-174.2	77.8	0	0	0	0	117.5
281	F	39.1	Very low	34.4	Very low	207 Å²	207	169.1 Å²	169.1	91%	0.908	85%	0.848	S	S	*	*	S	Bend	trans	-112.8	9.4	-174.5	-133.6	-97.2	0	0	0	116
282	G	36.4	Very low	34.2	Very low	67 Å²	67	166.4 Å²	166.4	69%	0.691	84%	0.842	S	S	*	*	S	Bend	trans	-101.6	-6.1	-171.6	0	0	0	0	0	117
283	H	34.5	Very low	34	Very low	196 Å²	196	165.7 Å²	165.7	91%	0.907	85%	0.849	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.3	9.7	-160	-123.5	-65.7	0	0	0	117
284	K	34.3	Very low	34	Very low	211 Å²	211	164.2 Å²	164.2	92%	0.917	84%	0.844	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.3	17	-171.8	-128.5	176	-174.1	177.8	0	117.1
285	M	37.5	Very low	33.7	Very low	177 Å²	177	166.1 Å²	166.1	87%	0.872	85%	0.848	S	S	*	*			trans	-132.3	22.4	-172.9	-136.8	173.3	-174.9	0	0	116.3
286	N	31.5	Very low	33.3	Very low	165 Å²	165	170.5 Å²	170.5	88%	0.882	85%	0.853	S	S	*	*			trans	-118.1	31.6	-177.9	-87.2	-6.1	0	0	0	115
287	R	30.3	Very low	33	Very low	231 Å²	231	171.3 Å²	171.3	87%	0.872	85%	0.853	S	S	*	*	S	Bend	trans	-126.1	136.1	159.8	-71.4	-174.7	-160.5	179.9	5.1	107.1
288	F	32.7	Very low	32.7	Very low	212 Å²	212	168.5 Å²	168.5	93%	0.93	85%	0.852	S	S	*	*	S	Bend	trans	86.1	77.7	-171.1	-60.5	-82.9	0	0	0	116.3
289	S	33.5	Very low	32.2	Very low	121 Å²	121	169 Å²	169	85%	0.846	85%	0.847	S	S	*	*				178.7	81.3	125.1	65.6	0	0	0	0	109.9
290	L	29.7	Very low	31.9	Very low	176 Å²	176	166.2 Å²	166.2	92%	0.921	84%	0.842	S	S	*	*			trans	-83.1	155.3	147.3	-107.2	83.9	0	0	0	107.2
291	H	35	Very low	31.6	Very low	175 Å²	175	166.3 Å²	166.3	81%	0.81	84%	0.838	S	S	*	*			trans	88.2	80.6	170.4	-127.9	-70.5	0	0	0	118
292	N	31	Very low	30.9	Very low	135 Å²	135	164.4 Å²	164.4	72%	0.722	84%	0.837	S	S	*	*				167.4	96.5	117.8	-98.7	-8.5	0	0	0	109.4
293	S	27.9	Very low	30.6	Very low	126 Å²	126	166 Å²	166	88%	0.881	84%	0.838	S	S	*	*			trans	-89.6	96.6	171	42.2	0	0	0	0	109.6
294	S	31.3	Very low	30.4	Very low	100 Å²	100	163.3 Å²	163.3	70%	0.699	84%	0.836	S	S	*	*			trans	-162.6	129.1	159.7	43	0	0	0	0	110.2
295	Q	29.8	Very low	30.1	Very low	190 Å²	190	161.7 Å²	161.7	89%	0.888	83%	0.831	S	S	*	*			trans	77.7	98.1	173.6	-59.1	-175	-12	0	0	117.9
296	R	28	Very low	29.6	Very low	251 Å²	251	159.2 Å²	159.2	95%	0.947	83%	0.831	S	S	*	*			trans	-166.9	86.9	137.3	-103.3	171.5	-149.5	-122	3.8	109.5
297	Q	27.6	Very low	29.6	Very low	173 Å²	173	158 Å²	158	81%	0.808	83%	0.825	S	S	*	*			trans	-96.8	133.1	152.9	-73.7	-166.6	-3.2	0	0	107.5
298	L	27.9	Very low	29.6	Very low	161 Å²	161	154.3 Å²	154.3	84%	0.843	82%	0.822	S	S	*	*			trans	-137.1	105.7	168.6	-136	139.3	0	0	0	107.8
299	F	27.1	Very low	29.5	Very low	175 Å²	175	152.8 Å²	152.8	77%	0.768	82%	0.815	S	S	*	*			trans	-60.8	131.4	174.2	-91.6	-100.3	0	0	0	110
300	V	29.7	Very low	29.5	Very low	129 Å²	129	152.9 Å²	152.9	78%	0.782	81%	0.805	S	S	*	*			trans	-102.3	103.6	168.2	176.4	0	0	0	0	106.7
301	T	29.1	Very low	29.6	Very low	115 Å²	115	149.1 Å²	149.1	71%	0.706	80%	0.799	S	S	*	*			trans	-88.9	121.7	166.1	49.8	0	0	0	0	109	S303	T301-S303 PolarHBondContact O-N 2.88Å; T301-S303 VanDerWaalsContact O-N 3.15Å
302	N	24.9	Very low	29.3	Very low	167 Å²	167	149.3 Å²	149.3	89%	0.893	79%	0.794	S	S	*	*			trans	-65.3	104.1	168	-88.2	-20.6	0	0	0	109.2
303	S	30.2	Very low	29.2	Very low	101 Å²	101	149 Å²	149	71%	0.706	80%	0.796	S	S	*	*			trans	-144.1	130.5	157	59.6	0	0	0	0	110.4	T301 Q305	T301-S303 PolarHBondContact O-N 2.88Å; T301-S303 VanDerWaalsContact O-N 3.15Å; S303-Q305 PolarHBondContact O-N 3.49Å
304	T	28.5	Very low	29.4	Very low	139 Å²	139	148.1 Å²	148.1	85%	0.853	79%	0.788	S	S	*	*	S	Bend	trans	-63.8	92.6	179.7	41.2	0	0	0	0	111.1
305	Q	28.7	Very low	29.4	Very low	176 Å²	176	155.3 Å²	155.3	82%	0.822	80%	0.8	S	S	*	*			trans	-179.3	115.5	146.4	-105.2	174.3	11.9	0	0	110.2	S303 N307	S303-Q305 PolarHBondContact O-N 3.49Å; Q305-N307 PolarHBondContact O-N 3.48Å
306	S	28	Very low	29.5	Very low	125 Å²	125	153.1 Å²	153.1	87%	0.874	79%	0.793	S	S	*	*			trans	-80.2	84.9	-173.5	-43.7	0	0	0	0	112.4
307	N	29.9	Very low	29.6	Very low	140 Å²	140	151 Å²	151	75%	0.749	79%	0.79	S	S	*	*			trans	-118.8	77.3	160.9	-77.8	-32.6	0	0	0	109.5	Q305	Q305-N307 PolarHBondContact O-N 3.48Å
308	L	30.5	Very low	29.8	Very low	154 Å²	154	151.1 Å²	151.1	81%	0.806	79%	0.79	S	S	*	*			trans	-97.7	105.8	175	-159.7	77.2	0	0	0	110.5
309	F	31.4	Very low	30	Very low	180 Å²	180	153 Å²	153	79%	0.789	79%	0.792	S	S	*	*			trans	-69.8	130.2	166.4	-85.9	-96.1	0	0	0	109.7
310	I	33.8	Very low	30	Very low	123 Å²	123	152.3 Å²	152.3	63%	0.631	80%	0.796	S	S	*	*			trans	-111.5	102.5	169.4	-59	177	0	0	0	107.4
311	A	30.7	Very low	30.1	Very low	96 Å²	96	152.7 Å²	152.7	79%	0.793	80%	0.799	S	S	*	*			trans	-70.2	135.4	163.6	0	0	0	0	0	109.3
312	Y	29.5	Very low	30.3	Very low	180 Å²	180	155.3 Å²	155.3	71%	0.706	80%	0.803	S	S	*	*			trans	-101.7	115.6	176	-145.4	-85.4	0	0	0	107.4
313	T	29.3	Very low	30.5	Very low	127 Å²	127	154.9 Å²	154.9	78%	0.779	80%	0.796	S	S	*	*			trans	-95	123.5	163.8	46.2	0	0	0	0	108.5
314	P	32.1	Very low	30.4	Very low	108 Å²	108	159 Å²	159	70%	0.701	80%	0.797	S	S	*	*			trans	-73.8	129.6	176.2	21.4	-16.1	0	0	0	109.7	I316	P314-I316 PolarHBondContact O-N 3.47Å
315	R	30.2	Very low	30.4	Very low	251 Å²	251	157.4 Å²	157.4	95%	0.947	79%	0.787	S	S	*	*			trans	-75.2	111	168.6	-99.8	-175.4	-177.6	-170.7	-2.2	109
316	I	32.8	Very low	30.6	Very low	144 Å²	144	153.1 Å²	153.1	74%	0.738	77%	0.773	S	S	*	*			trans	-72.2	125.6	163.2	-61.9	173.6	0	0	0	107.5	P314	P314-I316 PolarHBondContact O-N 3.47Å
317	K	29.4	Very low	30.8	Very low	207 Å²	207	153 Å²	153	90%	0.9	76%	0.762	S	S	*	*			trans	-82.8	113.5	166.9	-83.1	-179.3	173.1	-178.6	0	107.4
318	H	32.7	Very low	30.8	Very low	175 Å²	175	154.3 Å²	154.3	81%	0.81	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-96.5	130.4	160.3	-107.8	-86	0	0	0	109.6
319	K	32.6	Very low	30.8	Very low	201 Å²	201	152.3 Å²	152.3	87%	0.874	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-77.4	138.7	176.2	-127.5	177.2	176.2	-173.6	0	108
320	N	27.1	Very low	30.7	Very low	160 Å²	160	151.7 Å²	151.7	86%	0.856	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-60.5	134.1	175.8	-58.6	-15.8	0	0	0	111.6
321	T	31.7	Very low	30.6	Very low	137 Å²	137	152.1 Å²	152.1	84%	0.84	77%	0.77	S	S	*	*			trans	-149.6	149.3	142	-43.6	0	0	0	0	108.3
322	E	32.4	Very low	30.5	Very low	170 Å²	170	155.1 Å²	155.1	79%	0.794	77%	0.768	S	S	*	*			trans	-72.2	155.9	-160.5	-68.9	143.4	158.8	0	0	116.7
323	E	28.8	Very low	30.4	Very low	158 Å²	158	151.7 Å²	151.7	74%	0.738	77%	0.77	S	S	*	*			trans	79.2	135.1	136.5	-101.7	178.3	164.9	0	0	124.8
324	Y	27.5	Very low	30.4	Very low	189 Å²	189	152.8 Å²	152.8	74%	0.741	78%	0.777	S	S	*	*			trans	79.2	83.8	161	-71.5	-80.1	0	0	0	122.9
325	T	30.1	Very low	30.2	Very low	105 Å²	105	152.7 Å²	152.7	64%	0.644	78%	0.779	S	S	*	*				37.7	128.7	121.3	52	0	0	0	0	125
326	V	32.8	Very low	30.2	Very low	86 Å²	86	147.8 Å²	147.8	52%	0.521	78%	0.777	S	S	.	*				84.2	141.6	126.2	169.2	0	0	0	0	115.5	F369	V326-F369 VanDerWaalsContact C-CZ 3.43Å; V326-F369 HydrophobicContact CB-CZ 4Å; V326-F369 HydrophobicContact CG1-CE1 3.75Å; V326-F369 HydrophobicContact CG1-CZ 3.66Å; V326-F369 VanDerWaalsContact O-CE2 3.25Å; V326-F369 WeakPolarHBondContact O-CE2 3.22Å; V326-F369 WeakPolarHBondContact O-CZ 3.44Å
327	N	30.7	Very low	29.9	Very low	122 Å²	122	146.1 Å²	146.1	65%	0.652	78%	0.778	S	S	*	*			cis	-157.1	168.1	6.8	-112.7	-4.9	0	0	0	113.5	F369	N327-F369 HydrophobicContact CB-CE1 4.45Å
328	Q	30.5	Very low	29.7	Very low	167 Å²	167	142.5 Å²	142.5	78%	0.78	78%	0.777	S	S	*	*			trans	-80.5	159.4	175.3	-65.9	166.1	-46.7	0	0	115.7
329	S	30.4	Very low	29.6	Very low	113 Å²	113	143 Å²	143	79%	0.79	78%	0.778	S	S	*	*			trans	-161.8	104.9	140.6	54.9	0	0	0	0	109.1
330	H	29.7	Very low	29.3	Very low	166 Å²	166	140 Å²	140	77%	0.769	77%	0.771	S	S	*	*				59.1	109.4	82.9	-92.5	-60.8	0	0	0	117
331	V	30.8	Very low	29.4	Very low	132 Å²	132	142.8 Å²	142.8	80%	0.8	78%	0.776	S	S	*	*			trans	-139.3	101.6	144.7	177.5	0	0	0	0	105.3
332	Q	30.2	Very low	29	Very low	160 Å²	160	147.9 Å²	147.9	75%	0.748	78%	0.78	S	S	*	*				60.3	102.9	106.9	-95.8	172.9	-13.9	0	0	113.5
333	S	27.8	Very low	29	Very low	107 Å²	107	145.6 Å²	145.6	75%	0.748	78%	0.782	S	S	*	*				86.1	105.8	76.9	-67	0	0	0	0	112.3
334	T	29.3	Very low	28.9	Very low	150 Å²	150	146.8 Å²	146.8	92%	0.92	79%	0.788	S	S	*	*			trans	-162.8	124.7	130.2	19.9	0	0	0	0	110.5
335	S	25.9	Very low	29	Very low	107 Å²	107	146.8 Å²	146.8	75%	0.748	79%	0.794	S	S	*	*			trans	-80.9	144.8	175.1	46.3	0	0	0	0	112.1
336	T	30.6	Very low	28.9	Very low	147 Å²	147	149 Å²	149	90%	0.902	80%	0.801	S	S	*	*			trans	-159.6	124.9	138.5	6.1	0	0	0	0	110.4
337	S	26.3	Very low	28.6	Very low	109 Å²	109	153.1 Å²	153.1	76%	0.762	82%	0.815	S	S	*	*			trans	-76.9	144.6	172.1	53.6	0	0	0	0	111.4
338	C	25.7	Very low	28.3	Very low	131 Å²	131	155.9 Å²	155.9	89%	0.885	82%	0.824	S	S	*	*				-169.5	156.9	126.8	-122	0	0	0	0	114.6
339	F	30.1	Very low	28.2	Very low	186 Å²	186	156.8 Å²	156.8	82%	0.816	83%	0.83	S	S	*	*			trans	-69.5	151.9	-166.2	-106.3	-113.4	0	0	0	117
340	N	26.9	Very low	28.2	Very low	139 Å²	139	157.6 Å²	157.6	74%	0.743	83%	0.83	S	S	*	*			trans	36.3	116.6	142.7	-80.3	-13.9	0	0	0	121
341	K	29.8	Very low	27.9	Very low	218 Å²	218	154.6 Å²	154.6	95%	0.948	83%	0.828	S	S	*	*				-160.7	133	125.5	-113.2	171.9	-177	178.2	0	111.7
342	R	22.9	Very low	27.9	Very low	244 Å²	244	155.6 Å²	155.6	92%	0.921	83%	0.827	S	S	*	*			trans	-82.5	132	175.4	178.3	-174.9	-164.7	174.3	3.1	109
343	S	31.2	Very low	27.8	Very low	121 Å²	121	153.5 Å²	153.5	85%	0.846	83%	0.827	S	S	*	*			trans	-176.3	155.5	148.9	-87.3	0	0	0	0	111
344	E	27.4	Very low	28	Very low	183 Å²	183	157.2 Å²	157.2	86%	0.855	84%	0.835	S	S	*	*			trans	-71.6	154.3	-162.3	-63.1	154.4	151.9	0	0	116.5
345	Q	30.8	Very low	27.9	Very low	189 Å²	189	158.7 Å²	158.7	88%	0.883	83%	0.829	S	S	*	*			trans	162.7	103.7	148.1	-92.1	170.5	3.4	0	0	109
346	I	28	Very low	28	Very low	152 Å²	152	162.2 Å²	162.2	78%	0.779	83%	0.833	S	S	*	*				52.4	113.3	92.1	-60.9	-176.3	0	0	0	115.4
347	E	25.7	Very low	27.9	Very low	173 Å²	173	158.6 Å²	158.6	81%	0.808	83%	0.825	S	S	*	*			trans	56.4	112.3	153.2	-69.6	-178.3	162.9	0	0	121.8
348	Q	25.2	Very low	27.9	Very low	180 Å²	180	163.4 Å²	163.4	84%	0.841	83%	0.832	S	S	*	*				165	135.7	115.6	-89.7	177	8.6	0	0	110
349	M	27.8	Very low	28.2	Very low	185 Å²	185	163.6 Å²	163.6	91%	0.911	83%	0.83	S	S	*	*			trans	176	92.7	147.5	-98	171.1	-164.5	0	0	107.9
350	V	30.5	Very low	28	Very low	130 Å²	130	164.3 Å²	164.3	79%	0.788	83%	0.832	S	S	*	*				74.5	122.7	91.9	176.3	0	0	0	0	113.3
351	S	24	Very low	28.3	Very low	104 Å²	104	162.8 Å²	162.8	73%	0.727	83%	0.833	S	S	*	*			trans	-88.1	145.5	-178.3	35.9	0	0	0	0	113.3
352	I	30.6	Very low	28.3	Very low	153 Å²	153	159.9 Å²	159.9	79%	0.785	83%	0.828	S	S	*	*			trans	-141.9	127.9	157.8	-55.4	-179.7	0	0	0	109.6
353	P	27.8	Very low	28.8	Very low	116 Å²	116	153 Å²	153	75%	0.753	82%	0.815	S	S	*	*			trans	-93.9	158.2	174.3	36.8	-29.6	0	0	0	111.3
354	M	31.2	Very low	28.8	Very low	184 Å²	184	154.3 Å²	154.3	91%	0.906	81%	0.812	S	S	*	*			trans	-150.3	121.6	161.9	-141.9	176.1	-89	0	0	113
355	F	27.9	Very low	29	Very low	181 Å²	181	152.7 Å²	152.7	79%	0.794	81%	0.809	S	S	*	*			trans	-85.2	151.3	170.8	-121.8	-96.1	0	0	0	109.8
356	H	27.7	Very low	29	Very low	181 Å²	181	152.7 Å²	152.7	84%	0.838	81%	0.807	S	S	*	*			trans	54.7	133.9	150.7	-89.4	9.8	0	0	0	124.1
357	G	28.8	Very low	29.3	Very low	72 Å²	72	150.3 Å²	150.3	74%	0.742	80%	0.803	S	S	*	*			trans	116.3	109.5	136	0	0	0	0	0	116.2
358	K	26.9	Very low	29.5	Very low	209 Å²	209	146.4 Å²	146.4	91%	0.909	80%	0.795	S	S	*	*			trans	-148.3	109.9	153.6	-105	-170.5	-177.4	-176.4	0	111.7
359	T	30.3	Very low	29.6	Very low	135 Å²	135	144 Å²	144	83%	0.828	78%	0.782	S	S	*	*			trans	-143.1	102.9	155.2	43.9	0	0	0	0	104.8
360	K	27.4	Very low	29.8	Very low	201 Å²	201	141.2 Å²	141.2	87%	0.874	78%	0.778	S	S	*	*				92.7	148	100.8	-101	-171.2	176.1	-174.3	0	113.4
361	S	33	Very low	29.6	Very low	108 Å²	108	141.3 Å²	141.3	76%	0.755	77%	0.773	S	S	*	*			trans	65.2	136.9	174.3	47.7	0	0	0	0	117.4
362	D	30.3	Very low	30	Very low	157 Å²	157	144.6 Å²	144.6	84%	0.84	78%	0.776	S	S	*	*			cis	-163.7	163.8	-0.1	-100.3	-35.4	0	0	0	108.7
363	P	32.3	Very low	29.8	Very low	99 Å²	99	141.1 Å²	141.1	64%	0.643	77%	0.765	S	S	*	*			trans	-109.9	161.4	-174.9	38.9	-28.2	0	0	0	114.8
364	N	31.6	Very low	29.9	Very low	148 Å²	148	142 Å²	142	79%	0.791	76%	0.764	S	S	*	*			trans	168.5	161.2	142.2	-85.3	-18.8	0	0	0	115
365	D	32.4	Very low	29.7	Very low	149 Å²	149	139.2 Å²	139.2	80%	0.797	76%	0.757	S	S	*	*			trans	98.5	89.4	174.4	-64.5	-12.1	0	0	0	116.8
366	F	30	Very low	29.9	Very low	189 Å²	189	138 Å²	138	83%	0.829	75%	0.754	S	S	*	*				59.4	130.2	76.6	-87.5	-94.1	0	0	0	113.4
367	S	33.5	Very low	30	Very low	102 Å²	102	135.7 Å²	135.7	71%	0.713	75%	0.748	S	S	*	*			cis	-173.3	125.3	45.1	48.1	0	0	0	0	110.4
368	S	29.9	Very low	30.3	Very low	91 Å²	91	137.7 Å²	137.7	64%	0.636	75%	0.746	S	S	*	*				59.5	106.2	88.4	63.5	0	0	0	0	119.1
369	F	27.4	Very low	30.5	Very low	130 Å²	130	136 Å²	136	57%	0.57	74%	0.741	S	S	*	*				75.1	162.3	109	-78.8	-74.1	0	0	0	117.2	V326 N327	V326-F369 VanDerWaalsContact C-CZ 3.43Å; V326-F369 HydrophobicContact CB-CZ 4Å; V326-F369 HydrophobicContact CG1-CE1 3.75Å; V326-F369 HydrophobicContact CG1-CZ 3.66Å; V326-F369 VanDerWaalsContact O-CE2 3.25Å; V326-F369 WeakPolarHBondContact O-CE2 3.22Å; V326-F369 WeakPolarHBondContact O-CZ 3.44Å; N327-F369 HydrophobicContact CB-CE1 4.45Å
370	P	31.9	Very low	30.8	Very low	126 Å²	126	136 Å²	136	82%	0.818	74%	0.735	S	S	*	*			cis	-142.6	-173	17.3	37.1	-12.3	0	0	0	118.1
371	I	27.1	Very low	31.2	Very low	132 Å²	132	135.4 Å²	135.4	68%	0.677	74%	0.735	S	S	*	*			trans	-88.1	149	-175.2	-65.5	160.2	0	0	0	112.9
372	H	31.5	Very low	31.1	Very low	174 Å²	174	134.2 Å²	134.2	81%	0.806	73%	0.732	S	S	*	*			trans	-145	143.7	151.9	-136.2	-75.9	0	0	0	112.5
373	S	26.4	Very low	31.2	Very low	79 Å²	79	134.4 Å²	134.4	55%	0.552	73%	0.732	S	S	*	*			trans	-70.9	160.3	177.6	55.6	0	0	0	0	114.3
374	N	30.6	Very low	31.1	Very low	135 Å²	135	139.1 Å²	139.1	72%	0.722	75%	0.745	S	S	*	*			trans	154	117.1	137.2	-72.9	-7	0	0	0	109.5
375	T	27.6	Very low	31.4	Very low	125 Å²	125	138.2 Å²	138.2	77%	0.767	75%	0.745	S	S	*	*				77.7	141.1	92.2	-30.1	0	0	0	0	114.5
376	E	31.8	Very low	31.3	Very low	156 Å²	156	138.1 Å²	138.1	73%	0.729	75%	0.75	S	S	*	*			trans	94.3	106.7	163	-59.8	-166.2	143.6	0	0	117.9
377	N	28.9	Very low	31.5	Very low	132 Å²	132	132.9 Å²	132.9	71%	0.706	75%	0.75	S	S	*	*				103.3	133.6	88.2	-70.3	-14.8	0	0	0	108.1
378	T	34.8	Very low	31.4	Very low	115 Å²	115	134.2 Å²	134.2	71%	0.706	75%	0.753	S	S	*	*				179.6	127.3	80.8	-44.4	0	0	0	0	109.9
379	E	32.7	Very low	31.7	Very low	172 Å²	172	136.9 Å²	136.9	80%	0.804	76%	0.759	S	S	*	*			trans	46.8	144.7	140.8	-54.4	176.6	152	0	0	122
380	I	35.7	Very low	32	Very low	135 Å²	135	135.9 Å²	135.9	69%	0.692	76%	0.76	S	S	*	*				-171.3	143.8	71.1	-81.8	-179	0	0	0	113.2
381	H	36.4	Very low	32.2	Very low	189 Å²	189	137.3 Å²	137.3	88%	0.875	75%	0.753	S	S	*	*			trans	89.9	107.3	157.3	-74.2	-49.6	0	0	0	122.4
382	A	31.2	Very low	32.4	Very low	84 Å²	84	137 Å²	137	69%	0.694	76%	0.757	S	S	*	*			trans	-91.7	157.8	175.8	0	0	0	0	0	113.2
383	L	32.2	Very low	32.7	Very low	161 Å²	161	134.8 Å²	134.8	84%	0.843	76%	0.756	S	S	*	*				179	115.2	121.3	-103.7	139.5	0	0	0	110.2
384	Q	29.8	Very low	33.2	Very low	197 Å²	197	135.5 Å²	135.5	92%	0.921	75%	0.753	S	S	*	*			trans	-122.7	128.3	161.5	-110.4	179.4	-11.3	0	0	106.6
385	T	36.8	Very low	33.7	Very low	130 Å²	130	133.7 Å²	133.7	80%	0.798	76%	0.758	S	S	*	*			trans	-129.3	124.1	163.5	6.1	0	0	0	0	108.8
386	T	31	Very low	34.4	Very low	147 Å²	147	131.6 Å²	131.6	90%	0.902	75%	0.748	S	S	*	*			trans	-66.1	145.7	178.2	38.5	0	0	0	0	113.3
387	G	34.3	Very low	34.8	Very low	79 Å²	79	129.7 Å²	129.7	81%	0.814	74%	0.74	S	S	*	*			trans	-175.9	96.6	170.8	0	0	0	0	0	113.6
388	T	32	Very low	35.6	Very low	129 Å²	129	128.2 Å²	128.2	79%	0.791	73%	0.733	S	S	*	*			trans	-43.8	158.8	178.4	-26.2	0	0	0	0	118.6
389	I	35.3	Very low	36.1	Very low	148 Å²	148	127.8 Å²	127.8	76%	0.759	73%	0.726	S	S	*	*			trans	87.6	125	156.8	-50.9	162.5	0	0	0	113.5
390	D	34.6	Very low	36.9	Very low	109 Å²	109	128.6 Å²	128.6	58%	0.583	72%	0.722	S	S	*	*			cis	-160.6	150.8	30.4	-136.9	-10.3	0	0	0	111.4
391	K	35.8	Very low	37.5	Very low	156 Å²	156	127.7 Å²	127.7	68%	0.678	71%	0.714	S	S	*	*			trans	53.1	113	138.5	-79.7	165.9	-156.2	141	0	123
392	T	31.7	Very low	38.1	Very low	124 Å²	124	124.5 Å²	124.5	76%	0.761	70%	0.698	S	S	*	*				55.6	110.2	125.9	56.8	0	0	0	0	118.3
393	V	37.2	Very low	39.2	Very low	128 Å²	128	125.1 Å²	125.1	78%	0.776	69%	0.69	S	S	*	*				176	150.1	130	155.6	0	0	0	0	105.8
394	D	37.9	Very low	40.3	Very low	94 Å²	94	123.3 Å²	123.3	50%	0.503	68%	0.677	S	S	.	*			trans	90.5	47.1	171.5	-51.3	-31.3	0	0	0	120.4	S396 M397	D394-S396 PolarHBondContact O-N 3.07Å; D394-M397 HydrophobicContact CB-CB 4.49Å
395	A	40.1	Very low	41.4	Very low	98 Å²	98	120.6 Å²	120.6	81%	0.81	66%	0.664	S	S	*	*	S	Bend	trans	-75.1	-3.1	159.3	0	0	0	0	0	114
396	S	41.9	Very low	42.3	Very low	80 Å²	80	122.4 Å²	122.4	56%	0.559	66%	0.656	S	S	*	*	S	Bend	trans	-106.5	-5.2	-177.6	75.5	0	0	0	0	115.1	D394	D394-S396 PolarHBondContact O-N 3.07Å
397	M	40.7	Very low	43.6	Very low	117 Å²	117	122.1 Å²	122.1	58%	0.576	65%	0.645	S	S	*	*	S	Bend	trans	-92.3	-21.8	177.1	-82.4	-179.3	70.6	0	0	113.7	D394	D394-M397 HydrophobicContact CB-CB 4.49Å
398	N	45.5	Very low	44.7	Very low	101 Å²	101	122.7 Å²	122.7	54%	0.54	63%	0.629	S	S	.	*	H	α-helix	trans	-76.8	-25.3	-178.9	-94.4	-22.1	0	0	0	114.4	K402	N398-K402 WeakPolarHBondContact O-CG 3.47Å; N398-K402 PolarHBondContact O-N 2.92Å
399	D	45.1	Very low	46	Very low	105 Å²	105	122.7 Å²	122.7	56%	0.561	62%	0.62	S	S	*	*	H	α-helix	trans	-76	-36.4	178	-78.5	-22.2	0	0	0	112	Q401 K402 D403	D399-Q401 PolarHBondContact O-N 2.94Å; D399-K402 PolarHBondContact O-N 3.18Å; D399-D403 PolarHBondContact O-N 3.29Å
400	R	49.6	Very low	47.3	Very low	190 Å²	190	122.5 Å²	122.5	72%	0.717	62%	0.616	S	S	*	*	H	α-helix	trans	-67.5	-35.3	175	-81.6	-168.5	-110.7	-155.8	-3	113.3	Q404	R400-Q404 PolarHBondContact O-N 3.39Å; R400-Q404 VanDerWaalsContact O-N 3.08Å
401	Q	48.6	Very low	48.8	Very low	116 Å²	116	125.6 Å²	125.6	54%	0.542	62%	0.619	S	S	.	*	H	α-helix	trans	-71.7	-34.3	174.2	-88.3	-178.7	-43.8	0	0	112.6	D399 Q405	D399-Q401 PolarHBondContact O-N 2.94Å; Q401-Q405 PolarHBondContact O-N 3.12Å
402	K	48.8	Very low	49.9	Very low	122 Å²	122	122.6 Å²	122.6	53%	0.53	61%	0.61	S	S	.	*	H	α-helix	trans	-68.9	-36.4	173.4	-82.2	179.3	178.2	173.9	0	112.7	N398 D399 Q405 R406	N398-K402 WeakPolarHBondContact O-CG 3.47Å; N398-K402 PolarHBondContact O-N 2.92Å; D399-K402 PolarHBondContact O-N 3.18Å; K402-Q405 PolarHBondContact O-N 2.87Å; K402-R406 WeakPolarHBondContact O-CG 3.42Å; K402-R406 PolarHBondContact O-N 3.46Å
403	D	54.4	Low	51.3	Low	97 Å²	97	121.1 Å²	121.1	52%	0.519	60%	0.597	S	S	.	*	H	α-helix	trans	-70.3	-39.8	175.8	-77.9	-21.4	0	0	0	112.1	D399 R406 E407	D399-D403 PolarHBondContact O-N 3.29Å; D403-R406 PolarHBondContact O-N 2.83Å; D403-E407 PolarHBondContact O-N 3.44Å
404	Q	55.3	Low	52.5	Low	123 Å²	123	117.2 Å²	117.2	58%	0.575	58%	0.576	S	S	*	*	H	α-helix	trans	-63.6	-39.8	172.7	-83.2	174	-30.6	0	0	112.5	R400 R406 E407 D408	R400-Q404 PolarHBondContact O-N 3.39Å; R400-Q404 VanDerWaalsContact O-N 3.08Å; Q404-R406 PolarHBondContact O-N 2.94Å; Q404-E407 PolarHBondContact O-N 3.43Å; Q404-D408 PolarHBondContact O-N 3.34Å
405	Q	52.4	Low	53.5	Low	140 Å²	140	118.1 Å²	118.1	65%	0.654	58%	0.577	S	S	*	*	H	α-helix	trans	-64.5	-36.9	173.7	-85.8	-178.8	-29.2	0	0	112.9	Q401 K402 E409	Q401-Q405 PolarHBondContact O-N 3.12Å; K402-Q405 PolarHBondContact O-N 2.87Å; Q405-E409 PolarHBondContact O-N 2.97Å
406	R	55.3	Low	54.1	Low	167 Å²	167	117.3 Å²	117.3	63%	0.63	56%	0.559	S	S	*	*	H	α-helix	trans	-69.5	-37	175.7	-77.2	-179.4	-175	-166.2	3.7	112.7	K402 D403 Q404 H410	K402-R406 WeakPolarHBondContact O-CG 3.42Å; K402-R406 PolarHBondContact O-N 3.46Å; D403-R406 PolarHBondContact O-N 2.83Å; Q404-R406 PolarHBondContact O-N 2.94Å; R406-H410 WeakPolarHBondContact O-CB 3.4Å; R406-H410 PolarHBondContact O-N 3.38Å
407	E	60	Low	54.5	Low	141 Å²	141	122.7 Å²	122.7	66%	0.659	57%	0.567	S	S	*	*	H	α-helix	trans	-66	-42.2	174.3	-78.7	-168.3	151.6	0	0	111.8	D403 Q404 H410 R411	D403-E407 PolarHBondContact O-N 3.44Å; Q404-E407 PolarHBondContact O-N 3.43Å; E407-H410 PolarHBondContact O-N 3.43Å; E407-R411 WeakPolarHBondContact O-CB 3.17Å; E407-R411 PolarHBondContact O-N 3.37Å
408	D	56.2	Low	55	Low	92 Å²	92	126.3 Å²	126.3	49%	0.492	57%	0.574	S	S	.	*	H	α-helix	trans	-66.4	-40	176.9	-80.5	-27.1	0	0	0	112.2	Q404 H410 R411 I412	Q404-D408 PolarHBondContact O-N 3.34Å; D408-H410 PolarHBondContact O-N 2.84Å; D408-R411 PolarHBondContact O-N 3.05Å; D408-I412 WeakPolarHBondContact O-CB 3.34Å; D408-I412 VanDerWaalsContact O-CG1 3.24Å; D408-I412 WeakPolarHBondContact O-CG1 3.46Å; D408-I412 PolarHBondContact O-N 2.87Å
409	E	58.8	Low	55.3	Low	128 Å²	128	126.8 Å²	126.8	60%	0.598	58%	0.575	S	S	*	*	H	α-helix	trans	-62	-40.9	171.9	-102.6	-170.6	147.9	0	0	112.3	Q405 R411 N413	Q405-E409 PolarHBondContact O-N 2.97Å; E409-R411 VanDerWaalsContact C-N 3.35Å; E409-N413 VanDerWaalsContact O-CB 3.31Å; E409-N413 WeakPolarHBondContact O-CB 3.46Å; E409-N413 PolarHBondContact O-N 3.18Å; E409-N413 PolarHBondContact O-ND2 2.95Å
410	H	64.3	Low	55.6	Low	145 Å²	145	125.7 Å²	125.7	67%	0.671	57%	0.573	S	S	*	*	H	α-helix	trans	-66.3	-36.8	174.9	-105.5	-75.9	0	0	0	112.1	R406 E407 D408 S414	R406-H410 WeakPolarHBondContact O-CB 3.4Å; R406-H410 PolarHBondContact O-N 3.38Å; E407-H410 PolarHBondContact O-N 3.43Å; D408-H410 PolarHBondContact O-N 2.84Å; H410-S414 VanDerWaalsContact O-CB 3.32Å; H410-S414 WeakPolarHBondContact O-CB 3.39Å; H410-S414 PolarHBondContact O-N 3.24Å; H410-S414 PolarHBondContact O-OG 3.03Å
411	R	65.5	Low	55.3	Low	174 Å²	174	123.4 Å²	123.4	66%	0.657	58%	0.575	S	S	*	*	H	α-helix	trans	-68	-45.7	177.6	-137.2	176.5	-174.8	-165.8	2.5	111.2	E407 D408 E409 S414 Q415	E407-R411 WeakPolarHBondContact O-CB 3.17Å; E407-R411 PolarHBondContact O-N 3.37Å; D408-R411 PolarHBondContact O-N 3.05Å; E409-R411 VanDerWaalsContact C-N 3.35Å; R411-S414 PolarHBondContact O-N 3.19Å; R411-S414 PolarHBondContact O-OG 3.34Å; R411-Q415 PolarHBondContact O-N 2.9Å
412	I	59.7	Low	55.2	Low	93 Å²	93	121.7 Å²	121.7	48%	0.477	58%	0.575	S	S	.	*	H	α-helix	trans	-63.8	-42	176.3	-66.8	165.6	0	0	0	110.6	D408 S414 Q415 N416	D408-I412 WeakPolarHBondContact O-CB 3.34Å; D408-I412 VanDerWaalsContact O-CG1 3.24Å; D408-I412 WeakPolarHBondContact O-CG1 3.46Å; D408-I412 PolarHBondContact O-N 2.87Å; I412-S414 PolarHBondContact O-N 2.94Å; I412-Q415 PolarHBondContact O-N 2.79Å; I412-N416 VanDerWaalsContact O-CB 3.31Å; I412-N416 WeakPolarHBondContact O-CB 3.35Å; I412-N416 PolarHBondContact O-N 2.95Å
413	N	61.3	Low	54.6	Low	92 Å²	92	123.6 Å²	123.6	49%	0.492	58%	0.584	S	S	.	*	H	α-helix	trans	-67.6	-33.9	175.3	-86.2	-33.4	0	0	0	113	E409 R417	E409-N413 VanDerWaalsContact O-CB 3.31Å; E409-N413 WeakPolarHBondContact O-CB 3.46Å; E409-N413 PolarHBondContact O-N 3.18Å; E409-N413 PolarHBondContact O-ND2 2.95Å; N413-R417 WeakPolarHBondContact O-CB 3.44Å; N413-R417 WeakPolarHBondContact O-CG 2.99Å; N413-R417 PolarHBondContact O-N 2.02Å
414	S	61.1	Low	54	Low	47 Å²	47	124.1 Å²	124.1	33%	0.329	59%	0.592	S	S	.	*	H	α-helix	trans	-70.9	-37.3	174.6	80.8	0	0	0	0	112.3	H410 R411 I412 R417 R418	H410-S414 VanDerWaalsContact O-CB 3.32Å; H410-S414 WeakPolarHBondContact O-CB 3.39Å; H410-S414 PolarHBondContact O-N 3.24Å; H410-S414 PolarHBondContact O-OG 3.03Å; R411-S414 PolarHBondContact O-N 3.19Å; R411-S414 PolarHBondContact O-OG 3.34Å; I412-S414 PolarHBondContact O-N 2.94Å; S414-R417 PolarHBondContact O-N 3.16Å; S414-R418 WeakPolarHBondContact O-CG 3.35Å; S414-R418 PolarHBondContact O-N 2.94Å
415	Q	58.7	Low	53.4	Low	112 Å²	112	125.8 Å²	125.8	52%	0.523	60%	0.598	S	S	.	*	H	α-helix	trans	-68.4	-43.7	172.8	-79.3	179.6	-19.6	0	0	111	R411 I412 R417 R418 I419	R411-Q415 PolarHBondContact O-N 2.9Å; I412-Q415 PolarHBondContact O-N 2.79Å; Q415-R417 VanDerWaalsContact C-N 3.34Å; Q415-R417 PolarHBondContact O-N 3.2Å; Q415-R418 PolarHBondContact O-N 3.14Å; Q415-R418 VanDerWaalsContact O-N 3.1Å; Q415-I419 WeakPolarHBondContact O-CD1 3.35Å; Q415-I419 VanDerWaalsContact O-CG1 3.23Å; Q415-I419 WeakPolarHBondContact O-CG1 3.14Å; Q415-I419 PolarHBondContact O-N 3.1Å
416	N	52.8	Low	53.2	Low	81 Å²	81	127 Å²	127	43%	0.433	60%	0.603	S	S	.	*	H	α-helix	trans	-63	-37.6	174.3	-78.9	-22.5	0	0	0	111.9	I412 I419 V420	I412-N416 VanDerWaalsContact O-CB 3.31Å; I412-N416 WeakPolarHBondContact O-CB 3.35Å; I412-N416 PolarHBondContact O-N 2.95Å; N416-I419 PolarHBondContact O-N 2.87Å; N416-V420 VanDerWaalsContact O-CB 3.29Å; N416-V420 WeakPolarHBondContact O-CB 3.42Å; N416-V420 WeakPolarHBondContact O-CG2 3.04Å; N416-V420 PolarHBondContact O-N 3.23Å
417	R	50.9	Low	53	Low	193 Å²	193	123.7 Å²	123.7	73%	0.728	61%	0.605	S	S	*	*	H	α-helix	trans	-65.7	-35.5	171.6	-79.8	-174.7	-170.6	-160.7	4.3	112.9	N413 S414 Q415 N421	N413-R417 WeakPolarHBondContact O-CB 3.44Å; N413-R417 WeakPolarHBondContact O-CG 2.99Å; N413-R417 PolarHBondContact O-N 2.02Å; S414-R417 PolarHBondContact O-N 3.16Å; Q415-R417 VanDerWaalsContact C-N 3.34Å; Q415-R417 PolarHBondContact O-N 3.2Å; R417-N421 VanDerWaalsContact O-CB 3.25Å; R417-N421 WeakPolarHBondContact O-CB 3.48Å; R417-N421 VanDerWaalsContact O-CG 3.31Å; R417-N421 PolarHBondContact O-N 2.99Å; R417-N421 PolarHBondContact O-ND2 3.09Å
418	R	51.2	Low	53	Low	194 Å²	194	119.2 Å²	119.2	73%	0.732	59%	0.589	S	S	*	*	H	α-helix	trans	-69.4	-37.6	173.7	-71.6	179.3	-163.1	-168.2	5.8	111.9	S414 Q415 N421 S422	S414-R418 WeakPolarHBondContact O-CG 3.35Å; S414-R418 PolarHBondContact O-N 2.94Å; Q415-R418 PolarHBondContact O-N 3.14Å; Q415-R418 VanDerWaalsContact O-N 3.1Å; R418-N421 PolarHBondContact O-N 3.16Å; R418-S422 PolarHBondContact O-N 3.2Å; R418-S422 PolarHBondContact O-OG 3.21Å
419	I	51.7	Low	53.7	Low	110 Å²	110	118.6 Å²	118.6	56%	0.564	59%	0.589	S	S	*	*	H	α-helix	trans	-72.6	-34.8	177.8	-65	163.4	0	0	0	111.5	Q415 N416 S422	Q415-I419 WeakPolarHBondContact O-CD1 3.35Å; Q415-I419 VanDerWaalsContact O-CG1 3.23Å; Q415-I419 WeakPolarHBondContact O-CG1 3.14Å; Q415-I419 PolarHBondContact O-N 3.1Å; N416-I419 PolarHBondContact O-N 2.87Å; I419-S422 WeakPolarHBondContact CA-OG 3.49Å; I419-S422 PolarHBondContact O-N 3.4Å; I419-S422 PolarHBondContact O-OG 3.01Å
420	V	51.1	Low	54.5	Low	83 Å²	83	122.3 Å²	122.3	50%	0.503	60%	0.598	S	S	.	*	H	α-helix	trans	-76.2	-29.7	175.6	173.9	0	0	0	0	111.9	N416 K423	N416-V420 VanDerWaalsContact O-CB 3.29Å; N416-V420 WeakPolarHBondContact O-CB 3.42Å; N416-V420 WeakPolarHBondContact O-CG2 3.04Å; N416-V420 PolarHBondContact O-N 3.23Å; V420-K423 WeakPolarHBondContact O-CG 3.46Å
421	N	44.3	Very low	55.1	Low	142 Å²	142	118.3 Å²	118.3	76%	0.759	59%	0.586	S	S	*	*	H	α-helix	trans	-82.4	-12	172.6	-75.4	-17.9	0	0	0	113.9	R417 R418 K423	R417-N421 VanDerWaalsContact O-CB 3.25Å; R417-N421 WeakPolarHBondContact O-CB 3.48Å; R417-N421 VanDerWaalsContact O-CG 3.31Å; R417-N421 PolarHBondContact O-N 2.99Å; R417-N421 PolarHBondContact O-ND2 3.09Å; R418-N421 PolarHBondContact O-N 3.16Å; N421-K423 VanDerWaalsContact C-N 3.27Å; N421-K423 PolarHBondContact O-N 3.43Å
422	S	45.1	Very low	55.9	Low	79 Å²	79	113.6 Å²	113.6	55%	0.552	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.4	29	167.6	59.9	0	0	0	0	113.5	R418 I419 P424	R418-S422 PolarHBondContact O-N 3.2Å; R418-S422 PolarHBondContact O-OG 3.21Å; I419-S422 WeakPolarHBondContact CA-OG 3.49Å; I419-S422 PolarHBondContact O-N 3.4Å; I419-S422 PolarHBondContact O-OG 3.01Å; S422-P424 WeakPolarHBondContact O-CD 3.18Å; S422-P424 VanDerWaalsContact O-N 3.16Å
423	K	36.8	Very low	57	Low	163 Å²	163	114.3 Å²	114.3	71%	0.709	58%	0.58	S	S	*	*			trans	-57.2	120.2	166.4	-84.4	177	-177.4	175.6	0	108.4	V420 N421 K425	V420-K423 WeakPolarHBondContact O-CG 3.46Å; N421-K423 VanDerWaalsContact C-N 3.27Å; N421-K423 PolarHBondContact O-N 3.43Å; K423-K425 PolarHBondContact O-N 3.4Å
424	P	42.5	Very low	58	Low	107 Å²	107	115.3 Å²	115.3	70%	0.695	58%	0.578	S	S	*	*			trans	-59.8	138.8	179.6	25.3	-31.7	0	0	0	108.2	S422 H426	S422-P424 WeakPolarHBondContact O-CD 3.18Å; S422-P424 VanDerWaalsContact O-N 3.16Å; P424-H426 VanDerWaalsContact C-N 3.26Å; P424-H426 PolarHBondContact O-N 2.65Å
425	K	42.4	Very low	59.1	Low	159 Å²	159	117.9 Å²	117.9	69%	0.691	59%	0.585	S	S	*	*			trans	-47.2	82.5	176.9	-70.3	172.9	176.4	173.8	0	111.4	K423 S427 S428 T429	K423-K425 PolarHBondContact O-N 3.4Å; K425-S427 PolarHBondContact O-N 3.01Å; K425-S427 VanDerWaalsContact O-N 3.09Å; K425-S428 WeakPolarHBondContact CB-OG 3.26Å; K425-S428 PolarHBondContact O-N 2.9Å; K425-S428 PolarHBondContact O-OG 3.43Å; K425-T429 PolarHBondContact O-N 3.49Å
426	H	47.4	Very low	60.3	Low	164 Å²	164	121.1 Å²	121.1	76%	0.759	59%	0.592	S	S	*	*	H	α-helix	trans	-66.1	-19.5	-176.1	-148.9	-62.2	0	0	0	111.3	P424	P424-H426 VanDerWaalsContact C-N 3.26Å; P424-H426 PolarHBondContact O-N 2.65Å
427	S	50.6	Low	61.8	Low	98 Å²	98	122.6 Å²	122.6	69%	0.685	59%	0.592	S	S	*	*	H	α-helix	trans	-71.5	-35.7	170.6	59.3	0	0	0	0	113.6	K425 S431	K425-S427 PolarHBondContact O-N 3.01Å; K425-S427 VanDerWaalsContact O-N 3.09Å; S427-S431 PolarHBondContact O-N 3.42Å
428	S	61.8	Low	63.4	Low	47 Å²	47	116.5 Å²	116.5	33%	0.329	57%	0.57	S	S	.	*	H	α-helix	trans	-74.9	-34.2	179.8	66.4	0	0	0	0	112.3	K425 S431 V432	K425-S428 WeakPolarHBondContact CB-OG 3.26Å; K425-S428 PolarHBondContact O-N 2.9Å; K425-S428 PolarHBondContact O-OG 3.43Å; S428-S431 PolarHBondContact O-N 3.28Å; S428-S431 PolarHBondContact O-OG 2.8Å; S428-V432 VanDerWaalsContact O-CG2 3.24Å; S428-V432 WeakPolarHBondContact O-CG2 3.47Å; S428-V432 PolarHBondContact O-N 3.17Å
429	T	70.7	Confident	65.1	Low	79 Å²	79	109.8 Å²	109.8	49%	0.485	55%	0.549	S	S	.	.	H	α-helix	trans	-65.8	-42	176.9	-50.5	0	0	0	0	111.2	K425 S431 V432 I433	K425-T429 PolarHBondContact O-N 3.49Å; T429-S431 PolarHBondContact O-N 3.38Å; T429-V432 PolarHBondContact O-N 3.44Å; T429-I433 HydrophobicContact CG2-CD1 4.06Å; T429-I433 VanDerWaalsContact O-CG1 3.29Å; T429-I433 WeakPolarHBondContact O-CG1 2.9Å; T429-I433 PolarHBondContact O-N 3.46Å
430	R	74.1	Confident	66.7	Low	207 Å²	207	110.2 Å²	110.2	78%	0.781	55%	0.552	S	S	*	*	H	α-helix	trans	-65.5	-38.4	177.7	-167	174.9	-177.2	178.8	-0.2	112.3	Y434	R430-Y434 WeakPolarHBondContact O-CB 3.27Å; R430-Y434 PolarHBondContact O-N 3.46Å
431	S	78.6	Confident	68.4	Low	61 Å²	61	107.4 Å²	107.4	43%	0.427	53%	0.534	S	S	.	.	H	α-helix	trans	-68.5	-40.7	177	70.3	0	0	0	0	112	S427 S428 T429 Y434 Q435	S427-S431 PolarHBondContact O-N 3.42Å; S428-S431 PolarHBondContact O-N 3.28Å; S428-S431 PolarHBondContact O-OG 2.8Å; T429-S431 PolarHBondContact O-N 3.38Å; S431-Y434 PolarHBondContact O-N 3.06Å; S431-Q435 WeakPolarHBondContact O-CG 3.29Å; S431-Q435 PolarHBondContact O-N 3.1Å
432	V	80.9	Confident	70.4	Confident	74 Å²	74	101 Å²	101	45%	0.448	50%	0.499	S	S	.	.	H	α-helix	trans	-62.8	-45.4	175.5	172.3	0	0	0	0	111.4	S428 T429 Y434 Q435 R436	S428-V432 VanDerWaalsContact O-CG2 3.24Å; S428-V432 WeakPolarHBondContact O-CG2 3.47Å; S428-V432 PolarHBondContact O-N 3.17Å; T429-V432 PolarHBondContact O-N 3.44Å; V432-Y434 VanDerWaalsContact C-N 3.34Å; V432-Y434 PolarHBondContact O-N 3.02Å; V432-Q435 PolarHBondContact O-N 2.91Å; V432-R436 WeakPolarHBondContact O-CG 3.41Å; V432-R436 PolarHBondContact O-N 2.95Å
433	I	83.4	Confident	72.4	Confident	109 Å²	109	100.5 Å²	100.5	56%	0.559	49%	0.491	S	S	*	.	H	α-helix	trans	-60.8	-44	176.3	-67.9	167.2	0	0	0	110.8	T429 R436 R437	T429-I433 HydrophobicContact CG2-CD1 4.06Å; T429-I433 VanDerWaalsContact O-CG1 3.29Å; T429-I433 WeakPolarHBondContact O-CG1 2.9Å; T429-I433 PolarHBondContact O-N 3.46Å; I433-R436 PolarHBondContact O-N 2.85Å; I433-R437 WeakPolarHBondContact O-CB 3.39Å; I433-R437 PolarHBondContact O-N 3.23Å
434	Y	82.1	Confident	74.8	Confident	113 Å²	113	95 Å²	95	44%	0.443	47%	0.473	S	S	.	.	H	α-helix	trans	-60.7	-45.2	177.1	177	-96.3	0	0	0	112.1	M166 R430 S431 V432 R437 K438	M166-Y434 HydrophobicContact CE-CD2 4.1Å; M166-Y434 HydrophobicContact CE-CE2 3.63Å; M166-Y434 HydrophobicContact CG-CE2 3.98Å; M166-Y434 WeakPolarHBondContact CG-OH 3.2Å; M166-Y434 HydrophobicContact SD-CE2 4.39Å; R430-Y434 WeakPolarHBondContact O-CB 3.27Å; R430-Y434 PolarHBondContact O-N 3.46Å; S431-Y434 PolarHBondContact O-N 3.06Å; V432-Y434 VanDerWaalsContact C-N 3.34Å; V432-Y434 PolarHBondContact O-N 3.02Å; Y434-R437 PolarHBondContact O-N 3.39Å; Y434-K438 WeakPolarHBondContact O-CB 3.12Å; Y434-K438 PolarHBondContact O-N 2.88Å
435	Q	83.3	Confident	77	Confident	101 Å²	101	90.7 Å²	90.7	47%	0.472	44%	0.444	S	S	.	.	H	α-helix	trans	-65.6	-42.3	178	-67.3	-64.1	-3	0	0	112.3	S431 V432 K438 L439	S431-Q435 WeakPolarHBondContact O-CG 3.29Å; S431-Q435 PolarHBondContact O-N 3.1Å; V432-Q435 PolarHBondContact O-N 2.91Å; Q435-K438 PolarHBondContact O-N 3.41Å; Q435-L439 WeakPolarHBondContact O-CB 3.22Å; Q435-L439 PolarHBondContact O-N 2.96Å
436	R	85.6	Confident	79.2	Confident	179 Å²	179	85.9 Å²	85.9	68%	0.675	42%	0.423	S	S	*	.	H	α-helix	trans	-59.9	-46.7	174.4	-76.3	-176.6	176.5	-173.8	-0.3	111.6	V432 I433 K438 L439 L440	V432-R436 WeakPolarHBondContact O-CG 3.41Å; V432-R436 PolarHBondContact O-N 2.95Å; I433-R436 PolarHBondContact O-N 2.85Å; R436-K438 PolarHBondContact O-N 3.46Å; R436-L439 PolarHBondContact O-N 2.03Å; R436-L440 WeakPolarHBondContact O-CG 3.32Å; R436-L440 PolarHBondContact O-N 3.44Å
437	R	82.8	Confident	81.2	Confident	113 Å²	113	85.6 Å²	85.6	43%	0.426	42%	0.419	S	S	.	.	H	α-helix	trans	-60.5	-44.8	176.7	-173.2	176.5	-178.1	174.5	1.8	111.5	I433 Y434 L439 L440 V441	I433-R437 WeakPolarHBondContact O-CB 3.39Å; I433-R437 PolarHBondContact O-N 3.23Å; Y434-R437 PolarHBondContact O-N 3.39Å; R437-L439 VanDerWaalsContact C-N 3.33Å; R437-L439 PolarHBondContact O-N 3.36Å; R437-L440 PolarHBondContact O-N 2.88Å; R437-V441 VanDerWaalsContact O-CG2 3.25Å; R437-V441 WeakPolarHBondContact O-CG2 3.45Å; R437-V441 PolarHBondContact O-N 3.1Å
438	K	85.6	Confident	83.1	Confident	65 Å²	65	82 Å²	82	28%	0.283	39%	0.393	S	S	.	.	H	α-helix	trans	-59.2	-43.4	176.4	-176	-177.9	175.8	-170.5	0	111.6	P165 M166 Y434 Q435 R436 Y442	P165-K438 HydrophobicContact CG-CG 4Å; M166-K438 HydrophobicContact CG-CB 4.29Å; M166-K438 HydrophobicContact CG-CD 4.36Å; M166-K438 HydrophobicContact CG-CG 4.09Å; M166-K438 HydrophobicContact SD-CB 4.01Å; M166-K438 HydrophobicContact SD-CG 4.31Å; Y434-K438 WeakPolarHBondContact O-CB 3.12Å; Y434-K438 PolarHBondContact O-N 2.88Å; Q435-K438 PolarHBondContact O-N 3.41Å; R436-K438 PolarHBondContact O-N 3.46Å; K438-Y442 WeakPolarHBondContact O-CB 3.43Å; K438-Y442 PolarHBondContact O-N 2.99Å
439	L	86.3	Confident	84.7	Confident	52 Å²	52	79.9 Å²	79.9	27%	0.272	38%	0.378	S	S	.	.	H	α-helix	trans	-66.1	-43.9	177.7	177.2	59.4	0	0	0	112.4	F250 Q435 R436 R437 Y442 N443	F250-L439 HydrophobicContact CD1-CD1 3.97Å; F250-L439 HydrophobicContact CD1-CD2 4.4Å; F250-L439 HydrophobicContact CD2-CD1 4.04Å; F250-L439 HydrophobicContact CE1-CB 4.41Å; F250-L439 HydrophobicContact CE1-CD1 3.72Å; F250-L439 HydrophobicContact CE1-CD2 4.4Å; F250-L439 HydrophobicContact CE1-CG 4.39Å; F250-L439 HydrophobicContact CE2-CD1 3.78Å; F250-L439 HydrophobicContact CG-CD1 4.14Å; F250-L439 HydrophobicContact CZ-CD1 3.63Å; Q435-L439 WeakPolarHBondContact O-CB 3.22Å; Q435-L439 PolarHBondContact O-N 2.96Å; R436-L439 PolarHBondContact O-N 2.03Å; R437-L439 VanDerWaalsContact C-N 3.33Å; R437-L439 PolarHBondContact O-N 3.36Å; L439-Y442 HydrophobicContact CD1-CD1 4.48Å; L439-Y442 PolarHBondContact O-N 3.22Å; L439-N443 WeakPolarHBondContact CD1-ND2 3.45Å; L439-N443 WeakPolarHBondContact O-CB 3.33Å; L439-N443 VanDerWaalsContact O-CG 3.28Å; L439-N443 PolarHBondContact O-N 3.5Å; L439-N443 PolarHBondContact O-ND2 3.33Å
440	L	86.3	Confident	85.7	Confident	120 Å²	120	82.3 Å²	82.3	63%	0.628	38%	0.382	S	S	*	.	H	α-helix	trans	-61.1	-46.1	177.6	-72.4	173.1	0	0	0	111.9	R436 R437 N443 S444	R436-L440 WeakPolarHBondContact O-CG 3.32Å; R436-L440 PolarHBondContact O-N 3.44Å; R437-L440 PolarHBondContact O-N 2.88Å; L440-N443 PolarHBondContact O-N 3.49Å; L440-S444 WeakPolarHBondContact O-CB 2.96Å; L440-S444 PolarHBondContact O-N 3.05Å
441	V	85.7	Confident	86.6	Confident	23 Å²	23	72.9 Å²	72.9	14%	0.139	35%	0.347	C	S	.	.	H	α-helix	trans	-59.6	-52.1	174.9	169.5	0	0	0	0	109.7	P165 I169 R437 N443 S444 E445	P165-V441 HydrophobicContact CB-CG1 4.05Å; I169-V441 HydrophobicContact CD1-CB 4Å; I169-V441 HydrophobicContact CD1-CG1 3.46Å; I169-V441 VanDerWaalsContact CD1-CG1 3.46Å; I169-V441 HydrophobicContact CD1-CG2 3.35Å; I169-V441 HydrophobicContact CG1-CG1 4.26Å; R437-V441 VanDerWaalsContact O-CG2 3.25Å; R437-V441 WeakPolarHBondContact O-CG2 3.45Å; R437-V441 PolarHBondContact O-N 3.1Å; V441-N443 VanDerWaalsContact C-N 3.33Å; V441-N443 PolarHBondContact O-N 3.45Å; V441-S444 WeakPolarHBondContact O-CB 3.11Å; V441-S444 PolarHBondContact O-N 3.27Å; V441-S444 VanDerWaalsContact O-N 3.12Å; V441-E445 HydrophobicContact CG1-CG 4.23Å; V441-E445 WeakPolarHBondContact O-CG 3.34Å; V441-E445 PolarHBondContact O-N 3.38Å
442	Y	86.6	Confident	87.3	Confident	7 Å²	7	70.2 Å²	70.2	3%	0.027	33%	0.328	C	S	.	.	H	α-helix	trans	-57.1	-44.1	-179.9	174.2	-97.6	0	0	0	112.7	I162 I243 F250 K438 L439 E445 K446	I162-Y442 HydrophobicContact CD1-CE2 4.44Å; I162-Y442 HydrophobicContact CG2-CE2 4.25Å; I243-Y442 VanDerWaalsContact CA-OH 3.31Å; I243-Y442 WeakPolarHBondContact CA-OH 3.31Å; F250-Y442 HydrophobicContact CE2-CD1 4.1Å; F250-Y442 HydrophobicContact CE2-CE1 4.07Å; K438-Y442 WeakPolarHBondContact O-CB 3.43Å; K438-Y442 PolarHBondContact O-N 2.99Å; L439-Y442 HydrophobicContact CD1-CD1 4.48Å; L439-Y442 PolarHBondContact O-N 3.22Å; Y442-E445 PolarHBondContact O-N 3.02Å; Y442-K446 WeakPolarHBondContact O-CB 3.41Å; Y442-K446 PolarHBondContact O-N 3.17Å
443	N	87.2	Confident	88	Confident	69 Å²	69	67.1 Å²	67.1	37%	0.369	31%	0.311	S	S	.	.	H	α-helix	trans	-66.3	-37.2	177.6	-75.3	-18.2	0	0	0	112.3	L439 L440 V441 K447	L439-N443 WeakPolarHBondContact CD1-ND2 3.45Å; L439-N443 WeakPolarHBondContact O-CB 3.33Å; L439-N443 VanDerWaalsContact O-CG 3.28Å; L439-N443 PolarHBondContact O-N 3.5Å; L439-N443 PolarHBondContact O-ND2 3.33Å; L440-N443 PolarHBondContact O-N 3.49Å; V441-N443 VanDerWaalsContact C-N 3.33Å; V441-N443 PolarHBondContact O-N 3.45Å; N443-K447 PolarHBondContact O-N 2.94Å
444	S	86.6	Confident	88.6	Confident	49 Å²	49	66 Å²	66	34%	0.343	31%	0.305	S	S	.	.	H	α-helix	trans	-64	-49.5	173.3	179.6	0	0	0	0	111.1	L440 V441 K446 K447 T448	L440-S444 WeakPolarHBondContact O-CB 2.96Å; L440-S444 PolarHBondContact O-N 3.05Å; V441-S444 WeakPolarHBondContact O-CB 3.11Å; V441-S444 PolarHBondContact O-N 3.27Å; V441-S444 VanDerWaalsContact O-N 3.12Å; S444-K446 VanDerWaalsContact C-N 3.33Å; S444-K446 PolarHBondContact O-N 3.08Å; S444-K447 PolarHBondContact O-N 2.9Å; S444-T448 PolarHBondContact O-N 2.98Å
445	E	89.1	Confident	89.2	Confident	16 Å²	16	60.6 Å²	60.6	8%	0.075	29%	0.285	C	S	.	.	H	α-helix	trans	-64.1	-37.1	-179.9	-62.7	-54.3	146	0	0	111.8	R158 A161 I162 V441 Y442 K447 T448 V449	R158-E445 IonicContact CZ-OE2 3.4Å; R158-E445 IonicContact NH1-OE2 2.7Å; R158-E445 PolarHBondContact NH1-OE2 3.5Å; R158-E445 IonicContact NH2-OE2 3.24Å; R158-E445 PolarHBondContact NH2-OE2 2.92Å; A161-E445 HydrophobicContact CB-CG 4.34Å; I162-E445 HydrophobicContact CD1-CB 4.02Å; V441-E445 HydrophobicContact CG1-CG 4.23Å; V441-E445 WeakPolarHBondContact O-CG 3.34Å; V441-E445 PolarHBondContact O-N 3.38Å; Y442-E445 PolarHBondContact O-N 3.02Å; E445-K447 VanDerWaalsContact C-N 3.29Å; E445-K447 PolarHBondContact O-N 3.43Å; E445-T448 PolarHBondContact O-N 3.43Å; E445-T448 VanDerWaalsContact O-N 3.17Å; E445-V449 WeakPolarHBondContact O-CG2 3.02Å; E445-V449 PolarHBondContact O-N 2.87Å
446	K	89.5	Confident	89.7	Confident	58 Å²	58	56.3 Å²	56.3	25%	0.252	27%	0.265	S	S	.	.	H	α-helix	trans	-57.2	-38.4	174.4	177.8	178.9	175.4	-179.5	0	112.7	I243 Y442 S444 V449 K450	I243-K446 HydrophobicContact CD1-CG 4.34Å; I243-K446 HydrophobicContact CG2-CD 3.97Å; I243-K446 HydrophobicContact CG2-CG 4.42Å; Y442-K446 WeakPolarHBondContact O-CB 3.41Å; Y442-K446 PolarHBondContact O-N 3.17Å; S444-K446 VanDerWaalsContact C-N 3.33Å; S444-K446 PolarHBondContact O-N 3.08Å; K446-V449 PolarHBondContact O-N 2.84Å; K446-K450 PolarHBondContact O-N 3.36Å
447	K	89.6	Confident	90.1	Very high	158 Å²	158	51.2 Å²	51.2	69%	0.687	26%	0.256	S	S	*	.	H	α-helix	trans	-64.8	-46.3	176.9	-69.4	179.9	-179	-174.8	0	110.6	N443 S444 E445 V449 K450 T451	N443-K447 PolarHBondContact O-N 2.94Å; S444-K447 PolarHBondContact O-N 2.9Å; E445-K447 VanDerWaalsContact C-N 3.29Å; E445-K447 PolarHBondContact O-N 3.43Å; K447-V449 VanDerWaalsContact C-N 3.34Å; K447-V449 PolarHBondContact O-N 2.76Å; K447-K450 WeakPolarHBondContact O-CB 3.28Å; K447-K450 PolarHBondContact O-N 3.26Å; K447-T451 PolarHBondContact O-N 2.91Å
448	T	90.5	Very high	90.8	Very high	23 Å²	23	47 Å²	47	14%	0.141	24%	0.243	C	C	.	.	H	α-helix	trans	-62.6	-39.7	177.3	-57.8	0	0	0	0	112.2	R158 S444 E445 K450 T451 V452	R158-T448 VanDerWaalsContact NH1-CG2 3.31Å; S444-T448 PolarHBondContact O-N 2.98Å; E445-T448 PolarHBondContact O-N 3.43Å; E445-T448 VanDerWaalsContact O-N 3.17Å; T448-K450 VanDerWaalsContact C-N 3.27Å; T448-K450 PolarHBondContact O-N 2.72Å; T448-T451 PolarHBondContact O-N 3.42Å; T448-V452 HydrophobicContact CG2-CG2 4.38Å; T448-V452 WeakPolarHBondContact O-CG2 3.45Å; T448-V452 PolarHBondContact O-N 3.28Å; T448-V452 VanDerWaalsContact O-N 3.08Å
449	V	93.7	Very high	91.2	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.006	23%	0.231	C	C	.	.	H	α-helix	trans	-56.7	-40.5	175.9	165.1	0	0	0	0	112.4	R158 I162 Y236 I239 I243 E445 K446 K447 T451 V452 A453	R158-V449 HydrophobicContact CB-CG2 4.14Å; R158-V449 HydrophobicContact CG-CG2 4.38Å; I162-V449 HydrophobicContact CD1-CG2 3.83Å; I162-V449 HydrophobicContact CG1-CG2 3.63Å; Y236-V449 HydrophobicContact CE1-CG1 4.33Å; I239-V449 HydrophobicContact CG2-CG1 3.55Å; I239-V449 HydrophobicContact CG2-CG2 4.46Å; I243-V449 HydrophobicContact CD1-CG1 4.17Å; E445-V449 WeakPolarHBondContact O-CG2 3.02Å; E445-V449 PolarHBondContact O-N 2.87Å; K446-V449 PolarHBondContact O-N 2.84Å; K447-V449 VanDerWaalsContact C-N 3.34Å; K447-V449 PolarHBondContact O-N 2.76Å; V449-T451 PolarHBondContact O-N 2.73Å; V449-V452 PolarHBondContact O-N 2.9Å; V449-A453 WeakPolarHBondContact O-CB 3.04Å; V449-A453 PolarHBondContact O-N 3.48Å
450	K	92.3	Very high	91.6	Very high	130 Å²	130	43.8 Å²	43.8	57%	0.565	23%	0.231	S	C	*	.	H	α-helix	trans	-60.4	-46.1	177.5	-70	-175.1	173.1	-166.3	0	111.6	K446 K447 T448 A453 L454	K446-K450 PolarHBondContact O-N 3.36Å; K447-K450 WeakPolarHBondContact O-CB 3.28Å; K447-K450 PolarHBondContact O-N 3.26Å; T448-K450 VanDerWaalsContact C-N 3.27Å; T448-K450 PolarHBondContact O-N 2.72Å; K450-A453 PolarHBondContact O-N 2.9Å; K450-L454 PolarHBondContact O-N 2.84Å
451	T	93.4	Very high	92.1	Very high	9 Å²	9	44 Å²	44	6%	0.055	23%	0.232	C	C	.	.	H	α-helix	trans	-60.3	-46.8	177.8	-49.9	0	0	0	0	111.4	K447 T448 V449 A453 L454 V455 I502 Y503 C506 N507	K447-T451 PolarHBondContact O-N 2.91Å; T448-T451 PolarHBondContact O-N 3.42Å; V449-T451 PolarHBondContact O-N 2.73Å; T451-A453 PolarHBondContact O-N 3.47Å; T451-L454 WeakPolarHBondContact O-CB 3.28Å; T451-L454 PolarHBondContact O-N 3.12Å; T451-V455 PolarHBondContact O-N 3.33Å; T451-I502 HydrophobicContact CG2-CG2 3.89Å; T451-Y503 HydrophobicContact CG2-CD1 3.97Å; T451-Y503 HydrophobicContact CG2-CE1 4.25Å; T451-C506 HydrophobicContact CG2-CB 3.88Å; T451-C506 PolarHBondContact OG1-O 2.92Å; T451-N507 HydrophobicContact CG2-CB 4.48Å
452	V	93.1	Very high	92.6	Very high	5 Å²	5	43.8 Å²	43.8	3%	0.03	23%	0.231	C	C	.	.	H	α-helix	trans	-69	-34.6	-179.8	-172.6	0	0	0	0	111.7	I154 R158 Y236 T448 V449 L454 V455 V456	I154-V452 HydrophobicContact CB-CG1 4.31Å; I154-V452 HydrophobicContact CG2-CB 4.3Å; I154-V452 HydrophobicContact CG2-CG1 3.39Å; I154-V452 HydrophobicContact CG2-CG2 3.91Å; R158-V452 HydrophobicContact CG-CB 4.48Å; R158-V452 HydrophobicContact CG-CG2 4.33Å; Y236-V452 WeakPolarHBondContact OH-CB 3.42Å; Y236-V452 WeakPolarHBondContact OH-CG1 3.5Å; T448-V452 HydrophobicContact CG2-CG2 4.38Å; T448-V452 WeakPolarHBondContact O-CG2 3.45Å; T448-V452 PolarHBondContact O-N 3.28Å; T448-V452 VanDerWaalsContact O-N 3.08Å; V449-V452 PolarHBondContact O-N 2.9Å; V452-L454 PolarHBondContact O-N 3.46Å; V452-V455 WeakPolarHBondContact O-CB 3.31Å; V452-V455 PolarHBondContact O-N 2.97Å; V452-V455 VanDerWaalsContact O-N 3.13Å; V452-V456 HydrophobicContact CG1-CG2 4.36Å; V452-V456 WeakPolarHBondContact O-CG2 3.46Å; V452-V456 PolarHBondContact O-N 3.29Å
453	A	95.3	Very high	93	Very high	10 Å²	10	44.5 Å²	44.5	8%	0.083	23%	0.234	C	C	.	.	H	α-helix	trans	-58.8	-36.8	174.6	0	0	0	0	0	111.9	Y236 F240 V449 K450 T451 V456 C457	Y236-A453 HydrophobicContact CD1-CB 3.83Å; Y236-A453 HydrophobicContact CE1-CB 3.62Å; F240-A453 HydrophobicContact CE2-CB 4.25Å; F240-A453 HydrophobicContact CZ-CB 3.91Å; V449-A453 WeakPolarHBondContact O-CB 3.04Å; V449-A453 PolarHBondContact O-N 3.48Å; K450-A453 PolarHBondContact O-N 2.9Å; T451-A453 PolarHBondContact O-N 3.47Å; A453-V456 PolarHBondContact O-N 3.5Å; A453-C457 PolarHBondContact O-N 2.92Å; A453-C457 PolarHBondContact O-SG 3.44Å
454	L	95.3	Very high	93.4	Very high	84 Å²	84	44.6 Å²	44.6	44%	0.44	23%	0.234	S	C	.	.	H	α-helix	trans	-66.2	-42.8	174.3	-68	172.5	0	0	0	112.2	K450 T451 V452 V456 C457 C458 I502 C506	K450-L454 PolarHBondContact O-N 2.84Å; T451-L454 WeakPolarHBondContact O-CB 3.28Å; T451-L454 PolarHBondContact O-N 3.12Å; V452-L454 PolarHBondContact O-N 3.46Å; L454-V456 VanDerWaalsContact C-N 3.29Å; L454-V456 PolarHBondContact O-N 3.19Å; L454-C457 PolarHBondContact O-N 3.05Å; L454-C458 WeakPolarHBondContact O-CB 3.36Å; L454-C458 PolarHBondContact O-N 3.42Å; L454-I502 HydrophobicContact CB-CD1 4.48Å; L454-I502 HydrophobicContact CB-CG2 4.09Å; L454-C506 VanDerWaalsContact CD1-SG 3.55Å
455	V	94.6	Very high	93.8	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.006	23%	0.233	C	C	.	.	H	α-helix	trans	-56.9	-45.5	174.2	171	0	0	0	0	110.7	L101 T451 V452 C458 F459 N499 I502 Y503	L101-V455 HydrophobicContact CD2-CG1 4.14Å; T451-V455 PolarHBondContact O-N 3.33Å; V452-V455 WeakPolarHBondContact O-CB 3.31Å; V452-V455 PolarHBondContact O-N 2.97Å; V452-V455 VanDerWaalsContact O-N 3.13Å; V455-C458 PolarHBondContact O-N 3.47Å; V455-F459 PolarHBondContact O-N 2.88Å; V455-N499 WeakPolarHBondContact CG1-OD1 3.19Å; V455-I502 HydrophobicContact CG2-CB 4.34Å; V455-I502 HydrophobicContact CG2-CD1 4.04Å; V455-I502 HydrophobicContact CG2-CG2 3.85Å; V455-Y503 HydrophobicContact CG2-CE1 4.27Å
456	V	94.3	Very high	94	Very high	10 Å²	10	45.9 Å²	45.9	6%	0.061	24%	0.238	C	C	.	.	H	α-helix	trans	-63.9	-47.1	178.8	165.5	0	0	0	0	112.2	I151 V232 Y236 V452 A453 L454 C458 F459 V460	I151-V456 HydrophobicContact CG2-CG2 3.6Å; V232-V456 HydrophobicContact CG1-CB 4.23Å; V232-V456 HydrophobicContact CG1-CG1 3.29Å; V232-V456 HydrophobicContact CG1-CG2 3.87Å; Y236-V456 HydrophobicContact CD2-CG1 4.18Å; Y236-V456 HydrophobicContact CD2-CG2 4.33Å; Y236-V456 HydrophobicContact CE2-CB 4.23Å; Y236-V456 HydrophobicContact CE2-CG1 4.22Å; Y236-V456 HydrophobicContact CE2-CG2 3.55Å; V452-V456 HydrophobicContact CG1-CG2 4.36Å; V452-V456 WeakPolarHBondContact O-CG2 3.46Å; V452-V456 PolarHBondContact O-N 3.29Å; A453-V456 PolarHBondContact O-N 3.5Å; L454-V456 VanDerWaalsContact C-N 3.29Å; L454-V456 PolarHBondContact O-N 3.19Å; V456-C458 VanDerWaalsContact C-N 3.31Å; V456-C458 PolarHBondContact O-N 3.42Å; V456-F459 PolarHBondContact O-N 3.04Å; V456-V460 WeakPolarHBondContact O-CG2 3.34Å; V456-V460 PolarHBondContact O-N 3.46Å; V456-V460 VanDerWaalsContact O-N 3.08Å
457	C	95.3	Very high	94.2	Very high	72 Å²	72	43.5 Å²	43.5	49%	0.486	23%	0.229	S	C	.	.	H	α-helix	trans	-61.3	-42.1	177.5	-70.8	0	0	0	0	111.4	A453 L454 V460 L461	A453-C457 PolarHBondContact O-N 2.92Å; A453-C457 PolarHBondContact O-SG 3.44Å; L454-C457 PolarHBondContact O-N 3.05Å; C457-V460 PolarHBondContact O-N 3.49Å; C457-L461 WeakPolarHBondContact O-CB 3.34Å; C457-L461 VanDerWaalsContact O-CG 3.26Å; C457-L461 WeakPolarHBondContact O-CG 3.23Å; C457-L461 PolarHBondContact O-N 2.92Å
458	C	95.9	Very high	94.3	Very high	24 Å²	24	38.2 Å²	38.2	16%	0.162	21%	0.21	C	C	.	.	H	α-helix	trans	-59.8	-47.4	176.4	-167.7	0	0	0	0	111.3	L454 V455 V456 V460 L461 C462 C498 I502	L454-C458 WeakPolarHBondContact O-CB 3.36Å; L454-C458 PolarHBondContact O-N 3.42Å; V455-C458 PolarHBondContact O-N 3.47Å; V456-C458 VanDerWaalsContact C-N 3.31Å; V456-C458 PolarHBondContact O-N 3.42Å; C458-V460 PolarHBondContact O-N 3.11Å; C458-L461 PolarHBondContact O-N 3.19Å; C458-C462 VanDerWaalsContact O-CB 3.32Å; C458-C462 WeakPolarHBondContact O-CB 3.44Å; C458-C462 PolarHBondContact O-N 3.31Å; C458-C462 PolarHBondContact O-SG 3.03Å; C458-C462 VanDerWaalsContact O-SG 3.36Å; C458-C498 WeakPolarHBondContact SG-CB 3.38Å; C458-I502 HydrophobicContact CB-CD1 4.25Å
459	F	94.7	Very high	94.4	Very high	7 Å²	7	38.6 Å²	38.6	3%	0.031	21%	0.211	C	C	.	.	H	α-helix	trans	-55.7	-50.7	177.4	177.8	-89.8	0	0	0	112.3	T148 I151 F225 V455 V456 L461 C462 W463 N495	T148-F459 HydrophobicContact CG2-CE1 4.19Å; T148-F459 HydrophobicContact CG2-CZ 4.02Å; T148-F459 WeakPolarHBondContact OG1-CZ 3.42Å; I151-F459 HydrophobicContact CD1-CB 3.66Å; I151-F459 HydrophobicContact CD1-CD1 4.13Å; I151-F459 HydrophobicContact CD1-CD2 3.4Å; I151-F459 VanDerWaalsContact CD1-CD2 3.4Å; I151-F459 HydrophobicContact CD1-CE2 4.11Å; I151-F459 HydrophobicContact CD1-CG 3.44Å; I151-F459 VanDerWaalsContact CD1-CG 3.44Å; F225-F459 AromaticContact CD2-CE1 3.98Å; F225-F459 HydrophobicContact CD2-CE1 3.98Å; F225-F459 HydrophobicContact CD2-CZ 4.41Å; F225-F459 AromaticContact CE2-CE1 4Å; F225-F459 HydrophobicContact CE2-CE1 4Å; V455-F459 PolarHBondContact O-N 2.88Å; V456-F459 PolarHBondContact O-N 3.04Å; F459-L461 PolarHBondContact O-N 3.18Å; F459-C462 PolarHBondContact O-N 2.89Å; F459-W463 AromaticContact CD2-CD1 3.52Å; F459-W463 AromaticContact CD2-NE1 3.87Å; F459-W463 AromaticContact CE2-CD1 3.36Å; F459-W463 HydrophobicContact CE2-CG 4.17Å; F459-W463 AromaticContact CE2-NE1 3.57Å; F459-W463 AromaticContact CZ-CD1 3.8Å; F459-W463 HydrophobicContact CZ-CG 4.2Å; F459-W463 WeakPolarHBondContact O-CB 3.37Å; F459-W463 PolarHBondContact O-N 3.48Å; F459-N495 WeakPolarHBondContact CA-OD1 3.48Å; F459-N495 PolarHBondContact N-OD1 2.87Å
460	V	95	Very high	94.1	Very high	44 Å²	44	40 Å²	40	27%	0.267	22%	0.216	S	C	.	.	H	α-helix	trans	-62.5	-46.3	-179.6	175	0	0	0	0	111	F225 V456 C457 C458 C462 L464	F225-V460 HydrophobicContact CZ-CG1 4.39Å; V456-V460 WeakPolarHBondContact O-CG2 3.34Å; V456-V460 PolarHBondContact O-N 3.46Å; V456-V460 VanDerWaalsContact O-N 3.08Å; C457-V460 PolarHBondContact O-N 3.49Å; C458-V460 PolarHBondContact O-N 3.11Å; V460-C462 VanDerWaalsContact C-N 3.35Å; V460-C462 PolarHBondContact O-N 3.23Å; V460-L464 WeakPolarHBondContact O-CB 3.47Å; V460-L464 PolarHBondContact O-N 2.98Å
461	L	95.7	Very high	94	Very high	124 Å²	124	35.3 Å²	35.3	65%	0.649	20%	0.197	S	C	*	.	H	α-helix	trans	-65.4	-36.9	-178.3	-69.4	173.1	0	0	0	112.8	C457 C458 F459 P465	C457-L461 WeakPolarHBondContact O-CB 3.34Å; C457-L461 VanDerWaalsContact O-CG 3.26Å; C457-L461 WeakPolarHBondContact O-CG 3.23Å; C457-L461 PolarHBondContact O-N 2.92Å; C458-L461 PolarHBondContact O-N 3.19Å; F459-L461 PolarHBondContact O-N 3.18Å; L461-P465 VanDerWaalsContact O-CD 3.31Å; L461-P465 WeakPolarHBondContact O-CD 3.3Å
462	C	96.3	Very high	93.8	Very high	18 Å²	18	38.8 Å²	38.8	12%	0.122	21%	0.214	C	C	.	.	H	α-helix	trans	-74	-38.7	-179.9	-75.7	0	0	0	0	113	C458 F459 V460 I491 G492 N495	C458-C462 VanDerWaalsContact O-CB 3.32Å; C458-C462 WeakPolarHBondContact O-CB 3.44Å; C458-C462 PolarHBondContact O-N 3.31Å; C458-C462 PolarHBondContact O-SG 3.03Å; C458-C462 VanDerWaalsContact O-SG 3.36Å; F459-C462 PolarHBondContact O-N 2.89Å; V460-C462 VanDerWaalsContact C-N 3.35Å; V460-C462 PolarHBondContact O-N 3.23Å; C462-I491 HydrophobicContact CB-CG2 4.38Å; C462-I491 WeakPolarHBondContact CB-O 3.49Å; C462-I491 WeakPolarHBondContact O-CG2 3.32Å; C462-G492 PolarHBondContact O-N 2.87Å; C462-N495 HydrophobicContact CB-CB 3.81Å
463	W	95.3	Very high	93.5	Very high	23 Å²	23	40.2 Å²	40.2	9%	0.087	22%	0.22	C	C	.	.	H	α-helix	trans	-91.8	-20.5	-174.8	-78.3	100.2	0	0	0	114.5	C144 F225 F459 F466 T467 G492 Y493	C144-W463 HydrophobicContact CB-CH2 4.05Å; C144-W463 HydrophobicContact CB-CZ2 4.2Å; C144-W463 WeakPolarHBondContact SG-CH2 3.46Å; C144-W463 VanDerWaalsContact SG-CZ2 3.53Å; F225-W463 HydrophobicContact CD2-CB 3.77Å; F225-W463 HydrophobicContact CE2-CB 3.4Å; F225-W463 VanDerWaalsContact CE2-CB 3.4Å; F225-W463 HydrophobicContact CZ-CB 4.24Å; F459-W463 AromaticContact CD2-CD1 3.52Å; F459-W463 AromaticContact CD2-NE1 3.87Å; F459-W463 AromaticContact CE2-CD1 3.36Å; F459-W463 HydrophobicContact CE2-CG 4.17Å; F459-W463 AromaticContact CE2-NE1 3.57Å; F459-W463 AromaticContact CZ-CD1 3.8Å; F459-W463 HydrophobicContact CZ-CG 4.2Å; F459-W463 WeakPolarHBondContact O-CB 3.37Å; F459-W463 PolarHBondContact O-N 3.48Å; W463-F466 HydrophobicContact CE3-CD1 4.26Å; W463-F466 HydrophobicContact CZ3-CD1 4.13Å; W463-T467 WeakPolarHBondContact O-CB 3.47Å; W463-T467 PolarHBondContact O-N 2.68Å; W463-T467 PolarHBondContact O-OG1 3.32Å; W463-G492 PolarHBondContact NE1-O 3.2Å; W463-Y493 HydrophobicContact CH2-CD1 4.5Å; W463-Y493 HydrophobicContact CH2-CE1 4.47Å
464	L	95.6	Very high	92.9	Very high	71 Å²	71	40.2 Å²	40.2	37%	0.372	22%	0.221	S	C	.	.	H	α-helix	trans	-58	-45	-179	179.5	66.1	0	0	0	113.5	F225 F226 V460 T467 T468	F225-L464 HydrophobicContact CE1-CB 4.29Å; F225-L464 HydrophobicContact CE1-CD1 3.8Å; F225-L464 HydrophobicContact CZ-CB 3.9Å; F225-L464 HydrophobicContact CZ-CD1 4.22Å; F226-L464 HydrophobicContact CE1-CD1 4.46Å; V460-L464 WeakPolarHBondContact O-CB 3.47Å; V460-L464 PolarHBondContact O-N 2.98Å; L464-T467 PolarHBondContact O-N 3.1Å; L464-T468 VanDerWaalsContact O-CB 3.32Å; L464-T468 WeakPolarHBondContact O-CB 3.42Å; L464-T468 PolarHBondContact O-N 3.2Å; L464-T468 PolarHBondContact O-OG1 3.42Å
465	P	95.3	Very high	92.5	Very high	48 Å²	48	41.1 Å²	41.1	31%	0.312	23%	0.23	S	C	.	.	H	α-helix	trans	-60.9	-50.7	-178.2	-24.1	35	0	0	0	112.5	L461 T468 L469 T488	L461-P465 VanDerWaalsContact O-CD 3.31Å; L461-P465 WeakPolarHBondContact O-CD 3.3Å; P465-T468 PolarHBondContact O-N 3.42Å; P465-L469 WeakPolarHBondContact O-CG 3.5Å; P465-L469 PolarHBondContact O-N 3.49Å; P465-T488 HydrophobicContact CB-CG2 3.85Å
466	F	93.5	Very high	92.1	Very high	43 Å²	43	44 Å²	44	19%	0.189	25%	0.25	C	C	.	.	H	α-helix	trans	-61.2	-48.6	179.1	173.6	-100.8	0	0	0	111.5	W463 T468 L469 Y470 F485 T489	W463-F466 HydrophobicContact CE3-CD1 4.26Å; W463-F466 HydrophobicContact CZ3-CD1 4.13Å; F466-T468 VanDerWaalsContact C-N 3.27Å; F466-T468 PolarHBondContact O-N 3.16Å; F466-L469 PolarHBondContact O-N 2.9Å; F466-Y470 HydrophobicContact CZ-CD2 4.39Å; F466-Y470 WeakPolarHBondContact O-CB 3.22Å; F466-Y470 PolarHBondContact O-N 2.93Å; F466-F485 HydrophobicContact CD2-CD1 4.39Å; F466-F485 HydrophobicContact CE2-CD1 4.13Å; F466-T489 VanDerWaalsContact CD2-OG1 3.22Å; F466-T489 WeakPolarHBondContact CD2-OG1 3.44Å; F466-T489 WeakPolarHBondContact CE2-OG1 3.43Å
467	T	92.9	Very high	91.4	Very high	8 Å²	8	52 Å²	52	5%	0.049	29%	0.286	C	S	.	.	H	α-helix	trans	-64.6	-35.5	-177.3	-48.3	0	0	0	0	111.6	A221 F225 F226 W463 L464 L471	A221-T467 HydrophobicContact CB-CG2 3.96Å; F225-T467 HydrophobicContact CB-CG2 3.77Å; F225-T467 HydrophobicContact CD1-CG2 3.65Å; F225-T467 HydrophobicContact CG-CG2 3.88Å; F226-T467 HydrophobicContact CD2-CG2 4.18Å; F226-T467 HydrophobicContact CE2-CG2 3.61Å; F226-T467 HydrophobicContact CZ-CG2 4.15Å; W463-T467 WeakPolarHBondContact O-CB 3.47Å; W463-T467 PolarHBondContact O-N 2.68Å; W463-T467 PolarHBondContact O-OG1 3.32Å; L464-T467 PolarHBondContact O-N 3.1Å; T467-L471 WeakPolarHBondContact O-CB 3.22Å; T467-L471 PolarHBondContact O-N 3.21Å
468	T	92.8	Very high	90.8	Very high	48 Å²	48	51 Å²	51	29%	0.294	28%	0.279	S	S	.	.	H	α-helix	trans	-65.7	-47.4	175.9	-55.8	0	0	0	0	110.7	L464 P465 F466 L471 M472	L464-T468 VanDerWaalsContact O-CB 3.32Å; L464-T468 WeakPolarHBondContact O-CB 3.42Å; L464-T468 PolarHBondContact O-N 3.2Å; L464-T468 PolarHBondContact O-OG1 3.42Å; P465-T468 PolarHBondContact O-N 3.42Å; F466-T468 VanDerWaalsContact C-N 3.27Å; F466-T468 PolarHBondContact O-N 3.16Å; T468-L471 PolarHBondContact O-N 3.16Å; T468-M472 HydrophobicContact CG2-CE 4.42Å; T468-M472 HydrophobicContact CG2-CG 4.3Å; T468-M472 WeakPolarHBondContact O-CB 3.3Å; T468-M472 WeakPolarHBondContact O-CG 3.44Å; T468-M472 PolarHBondContact O-N 3.29Å
469	L	91.6	Very high	90.1	Very high	31 Å²	31	57.7 Å²	57.7	16%	0.162	31%	0.312	C	S	.	.	H	α-helix	trans	-62.7	-44.3	177.1	-69.3	178	0	0	0	112.1	P465 F466 L471 M472 E473 Y480 I484 F485 T488	P465-L469 WeakPolarHBondContact O-CG 3.5Å; P465-L469 PolarHBondContact O-N 3.49Å; F466-L469 PolarHBondContact O-N 2.9Å; L469-L471 VanDerWaalsContact C-N 3.28Å; L469-L471 PolarHBondContact O-N 2.92Å; L469-M472 PolarHBondContact O-N 3.45Å; L469-E473 WeakPolarHBondContact O-CB 3.42Å; L469-E473 PolarHBondContact O-N 3.22Å; L469-Y480 HydrophobicContact CD2-CD1 4.26Å; L469-Y480 HydrophobicContact CD2-CD2 4.32Å; L469-Y480 HydrophobicContact CD2-CE1 4.01Å; L469-Y480 HydrophobicContact CD2-CE2 4.07Å; L469-Y480 HydrophobicContact CD2-CG 4.41Å; L469-I484 HydrophobicContact CD1-CG2 3.53Å; L469-F485 HydrophobicContact CB-CE1 4.06Å; L469-F485 HydrophobicContact CB-CZ 4.44Å; L469-T488 HydrophobicContact CD1-CG2 3.62Å
470	Y	88.8	Confident	89.5	Confident	30 Å²	30	60.7 Å²	60.7	12%	0.118	32%	0.324	C	S	.	.	H	α-helix	trans	-59.8	-38.6	177.5	-174.2	-104.4	0	0	0	112.2	R217 A221 F466	R217-Y470 HydrophobicContact CB-CD1 4.43Å; R217-Y470 HydrophobicContact CB-CE1 3.86Å; R217-Y470 HydrophobicContact CG-CE1 3.97Å; R217-Y470 HydrophobicContact CG-CE2 4.32Å; A221-Y470 HydrophobicContact CB-CD1 4.47Å; F466-Y470 HydrophobicContact CZ-CD2 4.39Å; F466-Y470 WeakPolarHBondContact O-CB 3.22Å; F466-Y470 PolarHBondContact O-N 2.93Å
471	L	89.6	Confident	89.2	Confident	31 Å²	31	62 Å²	62	16%	0.162	34%	0.335	C	S	.	.	H	α-helix	trans	-70.2	-45.6	173.9	-173.9	66.3	0	0	0	111.7	F218 A221 F226 T467 T468 L469 E473 G474 V475	F218-L471 HydrophobicContact CD2-CD1 3.78Å; A221-L471 HydrophobicContact CB-CD1 4.25Å; F226-L471 HydrophobicContact CE2-CD2 3.84Å; F226-L471 HydrophobicContact CZ-CD2 4.16Å; T467-L471 WeakPolarHBondContact O-CB 3.22Å; T467-L471 PolarHBondContact O-N 3.21Å; T468-L471 PolarHBondContact O-N 3.16Å; L469-L471 VanDerWaalsContact C-N 3.28Å; L469-L471 PolarHBondContact O-N 2.92Å; L471-E473 PolarHBondContact O-N 3.39Å; L471-G474 PolarHBondContact O-N 3.26Å; L471-G474 VanDerWaalsContact O-N 3.1Å; L471-V475 HydrophobicContact CG-CG2 4.46Å; L471-V475 WeakPolarHBondContact O-CG2 3.34Å; L471-V475 PolarHBondContact O-N 3.32Å; L471-V475 VanDerWaalsContact O-N 3.09Å
472	M	88.8	Confident	88.5	Confident	83 Å²	83	59.4 Å²	59.4	41%	0.409	32%	0.32	S	S	.	.	H	α-helix	trans	-63.4	-41.3	-178.4	-71.7	-63.1	166.1	0	0	112.2	T468 L469 G474 V475 C476 Y480	T468-M472 HydrophobicContact CG2-CE 4.42Å; T468-M472 HydrophobicContact CG2-CG 4.3Å; T468-M472 WeakPolarHBondContact O-CB 3.3Å; T468-M472 WeakPolarHBondContact O-CG 3.44Å; T468-M472 PolarHBondContact O-N 3.29Å; L469-M472 PolarHBondContact O-N 3.45Å; M472-G474 PolarHBondContact O-N 3.47Å; M472-V475 PolarHBondContact O-N 3.01Å; M472-C476 PolarHBondContact O-N 2.76Å; M472-C476 PolarHBondContact O-SG 2.93Å; M472-Y480 HydrophobicContact CB-CE2 4.17Å
473	E	86.2	Confident	88.1	Confident	34 Å²	34	61.7 Å²	61.7	16%	0.159	34%	0.34	C	S	.	.	H	α-helix	trans	-57.3	-32.2	174.5	-156.1	-154.4	142.1	0	0	111.8	R217 L469 L471 E477 C478 Y480 F485	R217-E473 VanDerWaalsContact CZ-CD 3.49Å; R217-E473 IonicContact CZ-OE1 3.58Å; R217-E473 VanDerWaalsContact CZ-OE1 3.31Å; R217-E473 IonicContact CZ-OE2 3.31Å; R217-E473 VanDerWaalsContact NH1-CG 3.34Å; R217-E473 PolarHBondContact NH1-O 3.15Å; R217-E473 IonicContact NH1-OE1 3.59Å; R217-E473 PolarHBondContact NH1-OE1 2.88Å; R217-E473 IonicContact NH1-OE2 2.95Å; R217-E473 PolarHBondContact NH1-OE2 2.88Å; R217-E473 VanDerWaalsContact NH2-CD 3.28Å; R217-E473 IonicContact NH2-OE1 2.73Å; R217-E473 PolarHBondContact NH2-OE1 3.31Å; R217-E473 IonicContact NH2-OE2 2.8Å; R217-E473 PolarHBondContact NH2-OE2 3.48Å; L469-E473 WeakPolarHBondContact O-CB 3.42Å; L469-E473 PolarHBondContact O-N 3.22Å; L471-E473 PolarHBondContact O-N 3.39Å; E473-E477 WeakPolarHBondContact O-CA 3.23Å; E473-E477 PolarHBondContact O-N 3.47Å; E473-C478 WeakPolarHBondContact CG-O 3.25Å; E473-Y480 HydrophobicContact CB-CD2 4.32Å; E473-Y480 HydrophobicContact CB-CE2 4.37Å; E473-Y480 HydrophobicContact CG-CD2 4.39Å; E473-F485 HydrophobicContact CB-CZ 4.11Å; E473-F485 HydrophobicContact CG-CE2 4.35Å; E473-F485 HydrophobicContact CG-CZ 4.09Å; E473-F485 WeakPolarHBondContact OE2-CE2 3.44Å; E473-F485 WeakPolarHBondContact OE2-CZ 3.34Å
474	G	84.4	Confident	87.8	Confident	11 Å²	11	64.3 Å²	64.3	11%	0.113	36%	0.355	C	S	.	.	H	α-helix	trans	-79.6	-26.8	173.5	0	0	0	0	0	114.7	A214 L471 M472	A214-G474 VanDerWaalsContact CB-O 3.27Å; A214-G474 WeakPolarHBondContact CB-O 3.42Å; L471-G474 PolarHBondContact O-N 3.26Å; L471-G474 VanDerWaalsContact O-N 3.1Å; M472-G474 PolarHBondContact O-N 3.47Å
475	V	86.5	Confident	87.5	Confident	103 Å²	103	62.5 Å²	62.5	62%	0.624	34%	0.344	S	S	*	.	H	α-helix	trans	-87.2	-44.6	-176.2	171	0	0	0	0	112.2	L471 M472	L471-V475 HydrophobicContact CG-CG2 4.46Å; L471-V475 WeakPolarHBondContact O-CG2 3.34Å; L471-V475 PolarHBondContact O-N 3.32Å; L471-V475 VanDerWaalsContact O-N 3.09Å; M472-V475 PolarHBondContact O-N 3.01Å
476	C	86.5	Confident	87.2	Confident	61 Å²	61	61.1 Å²	61.1	41%	0.412	33%	0.334	S	S	.	.	S	Bend	trans	-102.5	-0.7	-176.5	64.3	0	0	0	0	113.6	M472 C478	M472-C476 PolarHBondContact O-N 2.76Å; M472-C476 PolarHBondContact O-SG 2.93Å; C476-C478 HydrophobicContact CB-CB 4.38Å; C476-C478 WeakPolarHBondContact CB-SG 3.31Å; C476-C478 PolarHBondContact O-N 3.3Å; C476-C478 WeakPolarHBondContact SG-CB 3.45Å; C476-C478 CovalentContact SG-SG 2.03Å; C476-C478 PolarHBondContact SG-SG 2.99Å
477	E	77.8	Confident	87.2	Confident	179 Å²	179	61.7 Å²	61.7	84%	0.836	35%	0.347	S	S	*	.			trans	52.2	24.8	-171.3	-59.2	-176.3	178.1	0	0	112.7	E473	E473-E477 WeakPolarHBondContact O-CA 3.23Å; E473-E477 PolarHBondContact O-N 3.47Å
478	C	83.7	Confident	87.2	Confident	49 Å²	49	62 Å²	62	33%	0.331	35%	0.348	S	S	.	.			trans	-71.6	138	-178.8	-56	0	0	0	0	110.7	E473 C476 Y480	E473-C478 WeakPolarHBondContact CG-O 3.25Å; C476-C478 HydrophobicContact CB-CB 4.38Å; C476-C478 WeakPolarHBondContact CB-SG 3.31Å; C476-C478 PolarHBondContact O-N 3.3Å; C476-C478 WeakPolarHBondContact SG-CB 3.45Å; C476-C478 CovalentContact SG-SG 2.03Å; C476-C478 PolarHBondContact SG-SG 2.99Å; C478-Y480 HydrophobicContact CB-CE2 4.26Å
479	L	80.5	Confident	87.3	Confident	165 Å²	165	60.5 Å²	60.5	86%	0.864	34%	0.339	S	S	*	.			trans	-92.2	106.5	171.7	-166.7	71.6	0	0	0	110
480	Y	83.3	Confident	87.4	Confident	70 Å²	70	60 Å²	60	28%	0.275	34%	0.335	S	S	.	.			trans	-84.2	147.9	168.9	-61.4	-75.2	0	0	0	110.6	L469 M472 E473 C478 E482 F485	L469-Y480 HydrophobicContact CD2-CD1 4.26Å; L469-Y480 HydrophobicContact CD2-CD2 4.32Å; L469-Y480 HydrophobicContact CD2-CE1 4.01Å; L469-Y480 HydrophobicContact CD2-CE2 4.07Å; L469-Y480 HydrophobicContact CD2-CG 4.41Å; M472-Y480 HydrophobicContact CB-CE2 4.17Å; E473-Y480 HydrophobicContact CB-CD2 4.32Å; E473-Y480 HydrophobicContact CB-CE2 4.37Å; E473-Y480 HydrophobicContact CG-CD2 4.39Å; C478-Y480 HydrophobicContact CB-CE2 4.26Å; Y480-E482 PolarHBondContact O-N 3.5Å; Y480-F485 HydrophobicContact CD2-CE2 4.09Å; Y480-F485 HydrophobicContact CD2-CZ 4.09Å; Y480-F485 HydrophobicContact CG-CE2 4.37Å
481	S	87.1	Confident	87.7	Confident	71 Å²	71	62 Å²	62	50%	0.497	35%	0.347	S	S	.	.			trans	-57.3	138	174	176.7	0	0	0	0	110.8	A483 I484 F485	S481-A483 PolarHBondContact O-N 3.46Å; S481-A483 VanDerWaalsContact O-N 3.16Å; S481-A483 PolarHBondContact OG-N 3.45Å; S481-I484 WeakPolarHBondContact O-CB 3.23Å; S481-I484 PolarHBondContact O-N 3.23Å; S481-F485 PolarHBondContact O-N 2.9Å
482	E	82.6	Confident	88	Confident	70 Å²	70	60.5 Å²	60.5	33%	0.327	34%	0.339	S	S	.	.	H	α-helix	trans	-54.5	-34.3	175.7	178.8	165.5	-167	0	0	112.1	R119 Y209 Y480 I484 F485 M486	R119-E482 IonicContact CZ-OE1 3.25Å; R119-E482 IonicContact NE-OE1 2.84Å; R119-E482 IonicContact NH2-OE1 3.44Å; R119-E482 PolarHBondContact NH2-OE1 3.17Å; Y209-E482 HydrophobicContact CE1-CG 4.41Å; Y209-E482 WeakPolarHBondContact CE1-OE1 3.09Å; Y209-E482 PolarHBondContact OH-OE1 3.46Å; Y209-E482 VanDerWaalsContact OH-OE1 3.1Å; Y209-E482 PolarHBondContact OH-OE2 2.98Å; Y480-E482 PolarHBondContact O-N 3.5Å; E482-I484 VanDerWaalsContact C-N 3.27Å; E482-I484 PolarHBondContact O-N 2.94Å; E482-F485 PolarHBondContact O-N 2.88Å; E482-M486 HydrophobicContact CG-CG 4.04Å; E482-M486 WeakPolarHBondContact O-CB 3.47Å; E482-M486 VanDerWaalsContact O-CG 3.3Å; E482-M486 WeakPolarHBondContact O-CG 3.41Å; E482-M486 PolarHBondContact O-N 2.87Å
483	A	86.3	Confident	88.3	Confident	67 Å²	67	56.7 Å²	56.7	55%	0.554	32%	0.32	S	S	*	.	H	α-helix	trans	-59.5	-37.8	176.2	0	0	0	0	0	112.4	S481 A487	S481-A483 PolarHBondContact O-N 3.46Å; S481-A483 VanDerWaalsContact O-N 3.16Å; S481-A483 PolarHBondContact OG-N 3.45Å; A483-A487 WeakPolarHBondContact O-CB 3.31Å; A483-A487 PolarHBondContact O-N 3.29Å
484	I	90.9	Very high	88.7	Confident	78 Å²	78	58 Å²	58	40%	0.4	33%	0.328	S	S	.	.	H	α-helix	trans	-70.3	-42.6	178.2	-60	174.3	0	0	0	110	L469 S481 E482 A487 T488	L469-I484 HydrophobicContact CD1-CG2 3.53Å; S481-I484 WeakPolarHBondContact O-CB 3.23Å; S481-I484 PolarHBondContact O-N 3.23Å; E482-I484 VanDerWaalsContact C-N 3.27Å; E482-I484 PolarHBondContact O-N 2.94Å; I484-A487 PolarHBondContact O-N 3.46Å; I484-T488 WeakPolarHBondContact O-CG2 3.37Å; I484-T488 PolarHBondContact O-N 3.2Å; I484-T488 PolarHBondContact O-OG1 3.02Å
485	F	88.4	Confident	89.2	Confident	33 Å²	33	57.5 Å²	57.5	15%	0.145	32%	0.323	C	S	.	.	H	α-helix	trans	-62	-46.8	175.1	-90.1	-65	0	0	0	111.9	F466 L469 E473 Y480 S481 E482 T488 T489	F466-F485 HydrophobicContact CD2-CD1 4.39Å; F466-F485 HydrophobicContact CE2-CD1 4.13Å; L469-F485 HydrophobicContact CB-CE1 4.06Å; L469-F485 HydrophobicContact CB-CZ 4.44Å; E473-F485 HydrophobicContact CB-CZ 4.11Å; E473-F485 HydrophobicContact CG-CE2 4.35Å; E473-F485 HydrophobicContact CG-CZ 4.09Å; E473-F485 WeakPolarHBondContact OE2-CE2 3.44Å; E473-F485 WeakPolarHBondContact OE2-CZ 3.34Å; Y480-F485 HydrophobicContact CD2-CE2 4.09Å; Y480-F485 HydrophobicContact CD2-CZ 4.09Å; Y480-F485 HydrophobicContact CG-CE2 4.37Å; S481-F485 PolarHBondContact O-N 2.9Å; E482-F485 PolarHBondContact O-N 2.88Å; F485-T488 PolarHBondContact O-N 3.23Å; F485-T488 PolarHBondContact O-OG1 3.5Å; F485-T488 VanDerWaalsContact O-OG1 3.12Å; F485-T489 VanDerWaalsContact O-CB 3.29Å; F485-T489 WeakPolarHBondContact O-CB 3.29Å; F485-T489 PolarHBondContact O-N 3.42Å; F485-T489 PolarHBondContact O-OG1 3.42Å
486	M	89.3	Confident	89.7	Confident	19 Å²	19	52.9 Å²	52.9	9%	0.094	30%	0.295	C	S	.	.	H	α-helix	trans	-62	-47.5	177.6	-70.2	-64.1	-76.8	0	0	110.9	Q120 E482 T488 T489 W490	Q120-M486 HydrophobicContact CB-CE 4.45Å; E482-M486 HydrophobicContact CG-CG 4.04Å; E482-M486 WeakPolarHBondContact O-CB 3.47Å; E482-M486 VanDerWaalsContact O-CG 3.3Å; E482-M486 WeakPolarHBondContact O-CG 3.41Å; E482-M486 PolarHBondContact O-N 2.87Å; M486-T488 PolarHBondContact O-N 3.47Å; M486-T489 PolarHBondContact O-N 3.33Å; M486-W490 PolarHBondContact O-N 3.33Å
487	A	92.5	Very high	90.1	Very high	55 Å²	55	52.1 Å²	52.1	46%	0.455	29%	0.286	S	S	.	.	H	α-helix	trans	-58.7	-48.6	178.7	0	0	0	0	0	112.1	A483 I484 T489 W490 I491	A483-A487 WeakPolarHBondContact O-CB 3.31Å; A483-A487 PolarHBondContact O-N 3.29Å; I484-A487 PolarHBondContact O-N 3.46Å; A487-T489 VanDerWaalsContact C-N 3.35Å; A487-T489 PolarHBondContact O-N 2.95Å; A487-W490 PolarHBondContact O-N 3.08Å; A487-I491 WeakPolarHBondContact O-CG1 3.17Å; A487-I491 PolarHBondContact O-N 3.01Å
488	T	94.4	Very high	91	Very high	14 Å²	14	45.2 Å²	45.2	9%	0.086	26%	0.257	C	S	.	.	H	α-helix	trans	-68	-33.4	178.9	54	0	0	0	0	113.1	P465 L469 I484 F485 M486 I491 G492	P465-T488 HydrophobicContact CB-CG2 3.85Å; L469-T488 HydrophobicContact CD1-CG2 3.62Å; I484-T488 WeakPolarHBondContact O-CG2 3.37Å; I484-T488 PolarHBondContact O-N 3.2Å; I484-T488 PolarHBondContact O-OG1 3.02Å; F485-T488 PolarHBondContact O-N 3.23Å; F485-T488 PolarHBondContact O-OG1 3.5Å; F485-T488 VanDerWaalsContact O-OG1 3.12Å; M486-T488 PolarHBondContact O-N 3.47Å; T488-I491 PolarHBondContact O-N 3.31Å; T488-G492 PolarHBondContact O-N 3.46Å; T488-G492 VanDerWaalsContact O-N 3.17Å
489	T	93.2	Very high	91.5	Very high	17 Å²	17	42.9 Å²	42.9	10%	0.104	24%	0.241	C	C	.	.	H	α-helix	trans	-63.7	-45.1	173.1	-55.8	0	0	0	0	111.1	F466 F485 M486 A487 I491 G492 Y493	F466-T489 VanDerWaalsContact CD2-OG1 3.22Å; F466-T489 WeakPolarHBondContact CD2-OG1 3.44Å; F466-T489 WeakPolarHBondContact CE2-OG1 3.43Å; F485-T489 VanDerWaalsContact O-CB 3.29Å; F485-T489 WeakPolarHBondContact O-CB 3.29Å; F485-T489 PolarHBondContact O-N 3.42Å; F485-T489 PolarHBondContact O-OG1 3.42Å; M486-T489 PolarHBondContact O-N 3.33Å; A487-T489 VanDerWaalsContact C-N 3.35Å; A487-T489 PolarHBondContact O-N 2.95Å; T489-I491 VanDerWaalsContact C-N 3.35Å; T489-I491 PolarHBondContact O-N 2.66Å; T489-G492 CarbonylContact O-C 3.58Å; T489-G492 VanDerWaalsContact O-CA 3.32Å; T489-G492 WeakPolarHBondContact O-CA 3.19Å; T489-G492 PolarHBondContact O-N 3.29Å; T489-Y493 HydrophobicContact CG2-CD2 4.29Å; T489-Y493 HydrophobicContact CG2-CE1 4.31Å; T489-Y493 HydrophobicContact CG2-CE2 3.59Å; T489-Y493 PolarHBondContact O-N 3.05Å
490	W	94.8	Very high	92.2	Very high	21 Å²	21	35.6 Å²	35.6	8%	0.08	20%	0.204	C	C	.	.	H	α-helix	trans	-64.7	-36.3	177	-84.5	102.8	0	0	0	112.8	Q66 L113 I117 M486 A487 G492 Y493 L494	Q66-W490 HydrophobicContact CB-CE3 4.38Å; Q66-W490 HydrophobicContact CB-CH2 3.42Å; Q66-W490 VanDerWaalsContact CB-CH2 3.42Å; Q66-W490 HydrophobicContact CB-CZ2 3.68Å; Q66-W490 HydrophobicContact CB-CZ3 3.79Å; Q66-W490 HydrophobicContact CG-CD2 3.69Å; Q66-W490 VanDerWaalsContact CG-CE2 3.45Å; Q66-W490 HydrophobicContact CG-CE3 3.82Å; Q66-W490 HydrophobicContact CG-CG 4.46Å; Q66-W490 HydrophobicContact CG-CH2 3.54Å; Q66-W490 HydrophobicContact CG-CZ2 3.38Å; Q66-W490 HydrophobicContact CG-CZ3 3.75Å; Q66-W490 VanDerWaalsContact NE2-CE2 3.32Å; Q66-W490 VanDerWaalsContact OE1-CZ2 3.28Å; L113-W490 HydrophobicContact CD2-CH2 4.02Å; L113-W490 HydrophobicContact CD2-CZ3 3.99Å; I117-W490 HydrophobicContact CD1-CH2 4.18Å; I117-W490 HydrophobicContact CG1-CH2 3.77Å; I117-W490 HydrophobicContact CG1-CZ2 3.88Å; M486-W490 PolarHBondContact O-N 3.33Å; A487-W490 PolarHBondContact O-N 3.08Å; W490-G492 PolarHBondContact O-N 2.92Å; W490-Y493 AromaticContact CD2-CD2 4Å; W490-Y493 HydrophobicContact CD2-CD2 4Å; W490-Y493 AromaticContact CE3-CD2 3.96Å; W490-Y493 HydrophobicContact CE3-CD2 3.96Å; W490-Y493 HydrophobicContact CG-CD2 4.44Å; W490-Y493 HydrophobicContact CZ3-CD2 4.33Å; W490-Y493 PolarHBondContact O-N 3.18Å; W490-Y493 VanDerWaalsContact O-N 3.1Å; W490-L494 WeakPolarHBondContact O-CG 3.4Å; W490-L494 PolarHBondContact O-N 3.11Å
491	I	95.7	Very high	92.8	Very high	71 Å²	71	37 Å²	37	36%	0.364	21%	0.211	S	C	.	.	H	α-helix	trans	-57.8	-39.8	170.2	-66	168.9	0	0	0	110.5	C462 A487 T488 T489 L494	C462-I491 HydrophobicContact CB-CG2 4.38Å; C462-I491 WeakPolarHBondContact CB-O 3.49Å; C462-I491 WeakPolarHBondContact O-CG2 3.32Å; A487-I491 WeakPolarHBondContact O-CG1 3.17Å; A487-I491 PolarHBondContact O-N 3.01Å; T488-I491 PolarHBondContact O-N 3.31Å; T489-I491 VanDerWaalsContact C-N 3.35Å; T489-I491 PolarHBondContact O-N 2.66Å; I491-L494 PolarHBondContact O-N 3.38Å
492	G	95.2	Very high	93.2	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-59.6	-46.7	171.5	0	0	0	0	0	112.8	C462 W463 T488 T489 W490 L494 N495	C462-G492 PolarHBondContact O-N 2.87Å; W463-G492 PolarHBondContact NE1-O 3.2Å; T488-G492 PolarHBondContact O-N 3.46Å; T488-G492 VanDerWaalsContact O-N 3.17Å; T489-G492 CarbonylContact O-C 3.58Å; T489-G492 VanDerWaalsContact O-CA 3.32Å; T489-G492 WeakPolarHBondContact O-CA 3.19Å; T489-G492 PolarHBondContact O-N 3.29Å; W490-G492 PolarHBondContact O-N 2.92Å; G492-L494 VanDerWaalsContact C-N 3.34Å; G492-L494 PolarHBondContact O-N 3.35Å; G492-N495 WeakPolarHBondContact O-CB 3.47Å; G492-N495 PolarHBondContact O-N 3.16Å
493	Y	95.5	Very high	93.8	Very high	3 Å²	3	31.6 Å²	31.6	1%	0.012	18%	0.179	C	C	.	.	H	α-helix	trans	-65.6	-32.6	177.4	-62.6	-34	0	0	0	113.7	V108 I112 L113 N140 W463 T489 W490 N495 S496	V108-Y493 HydrophobicContact CG1-CD1 4.13Å; V108-Y493 HydrophobicContact CG1-CE1 4.45Å; I112-Y493 HydrophobicContact CG2-CE1 4.12Å; I112-Y493 WeakPolarHBondContact CG2-OH 3.27Å; L113-Y493 HydrophobicContact CD2-CD1 4.26Å; L113-Y493 HydrophobicContact CD2-CD2 3.54Å; L113-Y493 HydrophobicContact CD2-CE2 3.99Å; L113-Y493 HydrophobicContact CD2-CG 3.7Å; N140-Y493 PolarHBondContact ND2-OH 3.09Å; N140-Y493 VanDerWaalsContact ND2-OH 3.14Å; N140-Y493 WeakPolarHBondContact OD1-CE1 3.39Å; N140-Y493 PolarHBondContact OD1-OH 3.32Å; W463-Y493 HydrophobicContact CH2-CD1 4.5Å; W463-Y493 HydrophobicContact CH2-CE1 4.47Å; T489-Y493 HydrophobicContact CG2-CD2 4.29Å; T489-Y493 HydrophobicContact CG2-CE1 4.31Å; T489-Y493 HydrophobicContact CG2-CE2 3.59Å; T489-Y493 PolarHBondContact O-N 3.05Å; W490-Y493 AromaticContact CD2-CD2 4Å; W490-Y493 HydrophobicContact CD2-CD2 4Å; W490-Y493 AromaticContact CE3-CD2 3.96Å; W490-Y493 HydrophobicContact CE3-CD2 3.96Å; W490-Y493 HydrophobicContact CG-CD2 4.44Å; W490-Y493 HydrophobicContact CZ3-CD2 4.33Å; W490-Y493 PolarHBondContact O-N 3.18Å; W490-Y493 VanDerWaalsContact O-N 3.1Å; Y493-N495 PolarHBondContact O-N 2.88Å; Y493-N495 VanDerWaalsContact O-N 3.16Å; Y493-S496 WeakPolarHBondContact O-CB 3.35Å; Y493-S496 PolarHBondContact O-N 2.85Å
494	L	94.4	Very high	94.1	Very high	61 Å²	61	30 Å²	30	32%	0.319	17%	0.165	S	C	.	.	H	α-helix	trans	-61.7	-21.1	175.5	-69.8	175.3	0	0	0	112.8	W490 I491 G492 S496 M497 C498	W490-L494 WeakPolarHBondContact O-CG 3.4Å; W490-L494 PolarHBondContact O-N 3.11Å; I491-L494 PolarHBondContact O-N 3.38Å; G492-L494 VanDerWaalsContact C-N 3.34Å; G492-L494 PolarHBondContact O-N 3.35Å; L494-S496 PolarHBondContact O-N 2.98Å; L494-M497 HydrophobicContact CD2-CE 3.85Å; L494-M497 HydrophobicContact CD2-SD 4.27Å; L494-M497 VanDerWaalsContact O-CB 3.27Å; L494-M497 WeakPolarHBondContact O-CB 3.42Å; L494-M497 PolarHBondContact O-N 2.86Å; L494-C498 PolarHBondContact O-N 2.73Å; L494-C498 PolarHBondContact O-SG 3.4Å; L494-C498 VanDerWaalsContact O-SG 3.4Å
495	N	95.6	Very high	94.3	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.005	18%	0.181	C	C	.	.	H	α-helix	trans	-53.5	-43.2	170.3	174.3	68.3	0	0	0	112.1	F459 C462 G492 Y493 M497 C498	F459-N495 WeakPolarHBondContact CA-OD1 3.48Å; F459-N495 PolarHBondContact N-OD1 2.87Å; C462-N495 HydrophobicContact CB-CB 3.81Å; G492-N495 WeakPolarHBondContact O-CB 3.47Å; G492-N495 PolarHBondContact O-N 3.16Å; Y493-N495 PolarHBondContact O-N 2.88Å; Y493-N495 VanDerWaalsContact O-N 3.16Å; N495-M497 PolarHBondContact O-N 3.4Å; N495-C498 PolarHBondContact O-N 3.44Å; N495-C498 VanDerWaalsContact O-N 3.14Å
496	S	95.8	Very high	94.5	Very high	5 Å²	5	35.5 Å²	35.5	4%	0.035	19%	0.194	C	C	.	.	H	α-helix	trans	-63.6	-23.9	179.7	-57.7	0	0	0	0	112.4	N77 D105 Y493 L494	N77-S496 PolarHBondContact ND2-O 3.23Å; D105-S496 PolarHBondContact OD1-OG 3.49Å; Y493-S496 WeakPolarHBondContact O-CB 3.35Å; Y493-S496 PolarHBondContact O-N 2.85Å; L494-S496 PolarHBondContact O-N 2.98Å
497	M	95.4	Very high	94.6	Very high	45 Å²	45	35.6 Å²	35.6	22%	0.222	19%	0.194	C	C	.	.	H	α-helix	trans	-79.8	-37.3	176.2	-169.7	-178	67.6	0	0	111.5	F72 I73 L494 N495 N499 P500 F501	F72-M497 HydrophobicContact CB-CG 4.08Å; F72-M497 HydrophobicContact CB-SD 4.14Å; I73-M497 HydrophobicContact CD1-CB 4.31Å; I73-M497 HydrophobicContact CG1-CB 3.63Å; I73-M497 HydrophobicContact CG1-CG 4.26Å; L494-M497 HydrophobicContact CD2-CE 3.85Å; L494-M497 HydrophobicContact CD2-SD 4.27Å; L494-M497 VanDerWaalsContact O-CB 3.27Å; L494-M497 WeakPolarHBondContact O-CB 3.42Å; L494-M497 PolarHBondContact O-N 2.86Å; N495-M497 PolarHBondContact O-N 3.4Å; M497-N499 VanDerWaalsContact C-N 3.3Å; M497-N499 PolarHBondContact O-N 3.44Å; M497-P500 WeakPolarHBondContact O-CD 3.29Å; M497-F501 HydrophobicContact CG-CD2 4.49Å; M497-F501 HydrophobicContact CG-CE2 4.01Å; M497-F501 VanDerWaalsContact O-CD2 3.26Å; M497-F501 WeakPolarHBondContact O-CD2 3.14Å
498	C	95.9	Very high	94.5	Very high	34 Å²	34	37 Å²	37	23%	0.23	21%	0.206	C	C	.	.	H	α-helix	trans	-65.8	-29.7	-175.9	-66.5	0	0	0	0	113.5	C458 L494 N495 F501 I502	C458-C498 WeakPolarHBondContact SG-CB 3.38Å; L494-C498 PolarHBondContact O-N 2.73Å; L494-C498 PolarHBondContact O-SG 3.4Å; L494-C498 VanDerWaalsContact O-SG 3.4Å; N495-C498 PolarHBondContact O-N 3.44Å; N495-C498 VanDerWaalsContact O-N 3.14Å; C498-F501 PolarHBondContact O-N 2.87Å; C498-I502 HydrophobicContact CB-CD1 4.34Å; C498-I502 WeakPolarHBondContact O-CG1 3.07Å; C498-I502 PolarHBondContact O-N 3.34Å
499	N	94.6	Very high	94.3	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.005	22%	0.22	C	C	.	.	H	α-helix	trans	-57.3	-56.7	-174.6	-73.9	-19.9	0	0	0	113.5	D105 V455 M497 F501 I502 Y503	D105-N499 PolarHBondContact OD2-ND2 2.9Å; V455-N499 WeakPolarHBondContact CG1-OD1 3.19Å; M497-N499 VanDerWaalsContact C-N 3.3Å; M497-N499 PolarHBondContact O-N 3.44Å; N499-F501 VanDerWaalsContact C-N 3.3Å; N499-F501 PolarHBondContact O-N 3.17Å; N499-I502 PolarHBondContact O-N 3.17Å; N499-Y503 HydrophobicContact CB-CE2 4.26Å; N499-Y503 WeakPolarHBondContact O-CD2 3.22Å; N499-Y503 PolarHBondContact O-N 3.38Å
500	P	95.8	Very high	94.3	Very high	12 Å²	12	40 Å²	40	8%	0.078	22%	0.217	C	C	.	.	H	α-helix	trans	-51.9	-43	173.5	-29.2	33.9	0	0	0	114.3	G76 V80 M497 Y503 A504	G76-P500 WeakPolarHBondContact O-CG 3.44Å; V80-P500 HydrophobicContact CG2-CB 4.19Å; V80-P500 HydrophobicContact CG2-CG 4.12Å; M497-P500 WeakPolarHBondContact O-CD 3.29Å; P500-Y503 PolarHBondContact O-N 3.29Å; P500-A504 WeakPolarHBondContact O-CB 3.38Å; P500-A504 PolarHBondContact O-N 3.26Å
501	F	95.3	Very high	94.2	Very high	98 Å²	98	40 Å²	40	43%	0.43	22%	0.222	S	C	.	.	H	α-helix	trans	-63.2	-45.9	178	-72.5	-71.1	0	0	0	111.7	M497 C498 N499 Y503 A504 F505	M497-F501 HydrophobicContact CG-CD2 4.49Å; M497-F501 HydrophobicContact CG-CE2 4.01Å; M497-F501 VanDerWaalsContact O-CD2 3.26Å; M497-F501 WeakPolarHBondContact O-CD2 3.14Å; C498-F501 PolarHBondContact O-N 2.87Å; N499-F501 VanDerWaalsContact C-N 3.3Å; N499-F501 PolarHBondContact O-N 3.17Å; F501-Y503 VanDerWaalsContact C-N 3.26Å; F501-Y503 PolarHBondContact O-N 3.4Å; F501-A504 PolarHBondContact O-N 3.46Å; F501-A504 VanDerWaalsContact O-N 3.14Å; F501-F505 HydrophobicContact CB-CD2 4.43Å; F501-F505 HydrophobicContact CB-CE2 4.42Å; F501-F505 HydrophobicContact CD1-CE2 4.01Å; F501-F505 WeakPolarHBondContact O-CD2 3.33Å; F501-F505 PolarHBondContact O-N 2.96Å
502	I	96	Very high	94.1	Very high	24 Å²	24	42.7 Å²	42.7	12%	0.123	23%	0.231	C	C	.	.	H	α-helix	trans	-58	-42.1	176.5	-66.9	165.3	0	0	0	110.2	T451 L454 V455 C458 C498 N499 C506	T451-I502 HydrophobicContact CG2-CG2 3.89Å; L454-I502 HydrophobicContact CB-CD1 4.48Å; L454-I502 HydrophobicContact CB-CG2 4.09Å; V455-I502 HydrophobicContact CG2-CB 4.34Å; V455-I502 HydrophobicContact CG2-CD1 4.04Å; V455-I502 HydrophobicContact CG2-CG2 3.85Å; C458-I502 HydrophobicContact CB-CD1 4.25Å; C498-I502 HydrophobicContact CB-CD1 4.34Å; C498-I502 WeakPolarHBondContact O-CG1 3.07Å; C498-I502 PolarHBondContact O-N 3.34Å; N499-I502 PolarHBondContact O-N 3.17Å; I502-C506 WeakPolarHBondContact O-CA 3.25Å; I502-C506 WeakPolarHBondContact O-CB 3.21Å; I502-C506 PolarHBondContact O-N 2.98Å
503	Y	94.2	Very high	94	Very high	5 Å²	5	42.8 Å²	42.8	2%	0.02	23%	0.231	C	C	.	.	H	α-helix	trans	-68.3	-38.3	176.6	-61.2	-48.4	0	0	0	113.3	V80 I98 T451 V455 N499 P500 F501 N507	V80-Y503 HydrophobicContact CG1-CD2 4.37Å; V80-Y503 HydrophobicContact CG1-CE2 4.44Å; V80-Y503 HydrophobicContact CG2-CD2 3.89Å; V80-Y503 HydrophobicContact CG2-CE2 4.48Å; I98-Y503 HydrophobicContact CD1-CE1 4.11Å; I98-Y503 HydrophobicContact CG1-CE1 4.47Å; I98-Y503 HydrophobicContact CG2-CD2 4.41Å; I98-Y503 HydrophobicContact CG2-CE1 4.22Å; I98-Y503 HydrophobicContact CG2-CE2 3.7Å; T451-Y503 HydrophobicContact CG2-CD1 3.97Å; T451-Y503 HydrophobicContact CG2-CE1 4.25Å; V455-Y503 HydrophobicContact CG2-CE1 4.27Å; N499-Y503 HydrophobicContact CB-CE2 4.26Å; N499-Y503 WeakPolarHBondContact O-CD2 3.22Å; N499-Y503 PolarHBondContact O-N 3.38Å; P500-Y503 PolarHBondContact O-N 3.29Å; F501-Y503 VanDerWaalsContact C-N 3.26Å; F501-Y503 PolarHBondContact O-N 3.4Å; Y503-N507 WeakPolarHBondContact O-CA 3.41Å; Y503-N507 WeakPolarHBondContact O-CB 3.34Å; Y503-N507 PolarHBondContact O-N 2.93Å; Y503-N507 VanDerWaalsContact O-N 3.07Å
504	A	93.9	Very high	94	Very high	32 Å²	32	43.4 Å²	43.4	26%	0.264	23%	0.234	S	C	.	.	H	α-helix	trans	-62.9	-41.6	177.5	0	0	0	0	0	112.3	P500 F501 A511 F514	P500-A504 WeakPolarHBondContact O-CB 3.38Å; P500-A504 PolarHBondContact O-N 3.26Å; F501-A504 PolarHBondContact O-N 3.46Å; F501-A504 VanDerWaalsContact O-N 3.14Å; A504-A511 WeakPolarHBondContact O-CB 3.06Å; A504-F514 HydrophobicContact CB-CD2 3.86Å; A504-F514 HydrophobicContact CB-CE2 3.95Å
505	F	94.1	Very high	93.9	Very high	168 Å²	168	46.8 Å²	46.8	74%	0.737	25%	0.246	S	C	*	.	H	α-helix	trans	-90.3	-36.1	-176.7	-66.8	-66.8	0	0	0	113.7	F501	F501-F505 HydrophobicContact CB-CD2 4.43Å; F501-F505 HydrophobicContact CB-CE2 4.42Å; F501-F505 HydrophobicContact CD1-CE2 4.01Å; F501-F505 WeakPolarHBondContact O-CD2 3.33Å; F501-F505 PolarHBondContact O-N 2.96Å
506	C	92.8	Very high	93.8	Very high	60 Å²	60	54.3 Å²	54.3	41%	0.405	28%	0.275	S	S	.	.	H	α-helix	trans	-101.8	-10.4	-172.6	-65.6	0	0	0	0	114.4	T451 L454 I502	T451-C506 HydrophobicContact CG2-CB 3.88Å; T451-C506 PolarHBondContact OG1-O 2.92Å; L454-C506 VanDerWaalsContact CD1-SG 3.55Å; I502-C506 WeakPolarHBondContact O-CA 3.25Å; I502-C506 WeakPolarHBondContact O-CB 3.21Å; I502-C506 PolarHBondContact O-N 2.98Å
507	N	90.8	Very high	93.6	Very high	20 Å²	20	56.8 Å²	56.8	11%	0.107	29%	0.287	C	S	.	.			trans	-122.3	94.4	177.1	-174.9	-11.8	0	0	0	111.6	T451 Y503 K509 C510 A511	T451-N507 HydrophobicContact CG2-CB 4.48Å; Y503-N507 WeakPolarHBondContact O-CA 3.41Å; Y503-N507 WeakPolarHBondContact O-CB 3.34Å; Y503-N507 PolarHBondContact O-N 2.93Å; Y503-N507 VanDerWaalsContact O-N 3.07Å; N507-K509 PolarHBondContact O-N 3.4Å; N507-K509 PolarHBondContact OD1-N 3.49Å; N507-C510 HydrophobicContact CB-CB 4.12Å; N507-C510 PolarHBondContact ND2-SG 3.33Å; N507-C510 PolarHBondContact O-N 2.66Å; N507-C510 PolarHBondContact OD1-N 3.46Å; N507-A511 PolarHBondContact O-N 2.85Å
508	A	91.1	Very high	93.4	Very high	84 Å²	84	59.1 Å²	59.1	69%	0.694	30%	0.3	S	S	*	.	H	α-helix	trans	-53.5	-30.2	-178.6	0	0	0	0	0	114.6	K512	A508-K512 WeakPolarHBondContact O-CB 3.39Å; A508-K512 PolarHBondContact O-N 3.18Å; A508-K512 VanDerWaalsContact O-N 3.07Å
509	K	91	Very high	93.1	Very high	89 Å²	89	64.9 Å²	64.9	39%	0.387	32%	0.323	S	S	.	.	H	α-helix	trans	-72.2	-42.9	177.6	-63.2	179.7	178	-177.5	0	111.3	V89 L90 N507 A513	V89-K509 HydrophobicContact CG1-CD 4.1Å; L90-K509 HydrophobicContact CD2-CB 3.65Å; N507-K509 PolarHBondContact O-N 3.4Å; N507-K509 PolarHBondContact OD1-N 3.49Å; K509-A513 PolarHBondContact O-N 2.92Å; K509-A513 VanDerWaalsContact O-N 3.16Å
510	C	91.8	Very high	92.2	Very high	7 Å²	7	69.9 Å²	69.9	5%	0.047	35%	0.349	C	S	.	.	H	α-helix	trans	-66.9	-44.3	173.9	-66.9	0	0	0	0	110.9	N507 K512 A513 F514	N507-C510 HydrophobicContact CB-CB 4.12Å; N507-C510 PolarHBondContact ND2-SG 3.33Å; N507-C510 PolarHBondContact O-N 2.66Å; N507-C510 PolarHBondContact OD1-N 3.46Å; C510-K512 VanDerWaalsContact C-N 3.29Å; C510-K512 PolarHBondContact O-N 3.2Å; C510-A513 CarbonylContact O-C 2.88Å; C510-A513 WeakPolarHBondContact O-CA 3.32Å; C510-A513 WeakPolarHBondContact O-CB 3.46Å; C510-A513 PolarHBondContact O-N 3.41Å; C510-F514 HydrophobicContact CB-CZ 4.49Å; C510-F514 WeakPolarHBondContact O-CD1 3.4Å; C510-F514 WeakPolarHBondContact O-CG 3.21Å; C510-F514 PolarHBondContact O-N 3.25Å
511	A	93.4	Very high	90.7	Very high	21 Å²	21	72.2 Å²	72.2	17%	0.174	38%	0.375	C	S	.	.	H	α-helix	trans	-53.9	-44.8	175.8	0	0	0	0	0	112.5	A504 N507 F514 K515	A504-A511 WeakPolarHBondContact O-CB 3.06Å; N507-A511 PolarHBondContact O-N 2.85Å; A511-F514 PolarHBondContact O-N 3.42Å; A511-K515 WeakPolarHBondContact O-CG 3.41Å; A511-K515 PolarHBondContact O-N 3.32Å
512	K	93.4	Very high	88.9	Confident	126 Å²	126	72 Å²	72	55%	0.548	39%	0.385	S	S	.	.	H	α-helix	trans	-65.3	-37.9	175.9	-171.1	172.6	-174.5	172	0	112.2	A508 C510 R516	A508-K512 WeakPolarHBondContact O-CB 3.39Å; A508-K512 PolarHBondContact O-N 3.18Å; A508-K512 VanDerWaalsContact O-N 3.07Å; C510-K512 VanDerWaalsContact C-N 3.29Å; C510-K512 PolarHBondContact O-N 3.2Å; K512-R516 WeakPolarHBondContact O-CG 3.39Å; K512-R516 PolarHBondContact O-N 2.93Å
513	A	93.4	Very high	86.7	Confident	2 Å²	2	78.9 Å²	78.9	2%	0.017	42%	0.423	C	S	.	.	H	α-helix	trans	-66.9	-41.4	175.4	0	0	0	0	0	111.8	A83 T87 L90 K509 C510 R516 L517	A83-A513 HydrophobicContact CB-CB 3.81Å; T87-A513 WeakPolarHBondContact OG1-CB 3.43Å; L90-A513 HydrophobicContact CD1-CB 3.7Å; K509-A513 PolarHBondContact O-N 2.92Å; K509-A513 VanDerWaalsContact O-N 3.16Å; C510-A513 CarbonylContact O-C 2.88Å; C510-A513 WeakPolarHBondContact O-CA 3.32Å; C510-A513 WeakPolarHBondContact O-CB 3.46Å; C510-A513 PolarHBondContact O-N 3.41Å; A513-R516 PolarHBondContact O-N 3.4Å; A513-L517 WeakPolarHBondContact O-CG 3.43Å; A513-L517 PolarHBondContact O-N 3.47Å
514	F	94.5	Very high	83.9	Confident	17 Å²	17	86.9 Å²	86.9	8%	0.075	48%	0.479	C	S	.	.	H	α-helix	trans	-61.7	-47	176.2	-67.4	-5.4	0	0	0	111.7	L79 V80 A83 A504 C510 A511 R516 L517 L518	L79-F514 HydrophobicContact CD1-CD1 4.22Å; L79-F514 HydrophobicContact CD2-CB 4.05Å; L79-F514 HydrophobicContact CD2-CD1 3.81Å; L79-F514 HydrophobicContact CD2-CD2 4.01Å; L79-F514 HydrophobicContact CD2-CE1 4.21Å; L79-F514 HydrophobicContact CD2-CE2 4.39Å; L79-F514 HydrophobicContact CD2-CG 3.71Å; L79-F514 HydrophobicContact CD2-CZ 4.48Å; L79-F514 HydrophobicContact CG-CD1 3.59Å; L79-F514 HydrophobicContact CG-CE1 3.8Å; L79-F514 HydrophobicContact CG-CG 4.04Å; L79-F514 HydrophobicContact CG-CZ 4.4Å; V80-F514 HydrophobicContact CG2-CE1 4.46Å; V80-F514 HydrophobicContact CG2-CZ 3.79Å; A83-F514 HydrophobicContact CB-CD1 3.75Å; A83-F514 HydrophobicContact CB-CE1 3.55Å; A504-F514 HydrophobicContact CB-CD2 3.86Å; A504-F514 HydrophobicContact CB-CE2 3.95Å; C510-F514 HydrophobicContact CB-CZ 4.49Å; C510-F514 WeakPolarHBondContact O-CD1 3.4Å; C510-F514 WeakPolarHBondContact O-CG 3.21Å; C510-F514 PolarHBondContact O-N 3.25Å; A511-F514 PolarHBondContact O-N 3.42Å; F514-R516 VanDerWaalsContact C-N 3.28Å; F514-R516 PolarHBondContact O-N 2.99Å; F514-L517 PolarHBondContact O-N 3.03Å; F514-L518 WeakPolarHBondContact O-CB 3.45Å; F514-L518 WeakPolarHBondContact O-CG 3.36Å; F514-L518 PolarHBondContact O-N 3.32Å
515	K	93.5	Very high	83.4	Confident	132 Å²	132	89.7 Å²	89.7	57%	0.574	49%	0.49	S	S	*	.	H	α-helix	trans	-56.1	-42.9	175.1	-73.5	-176.6	178.7	-167.4	0	112.3	A511 H519 I520	A511-K515 WeakPolarHBondContact O-CG 3.41Å; A511-K515 PolarHBondContact O-N 3.32Å; K515-H519 PolarHBondContact O-N 3.3Å; K515-I520 PolarHBondContact O-N 3.39Å
516	R	92.4	Very high	82.8	Confident	159 Å²	159	85.5 Å²	85.5	60%	0.6	48%	0.477	S	S	*	.	H	α-helix	trans	-64.7	-46	176.6	-73.4	174	176	-163.3	-8	112.6	K512 A513 F514 H519	K512-R516 WeakPolarHBondContact O-CG 3.39Å; K512-R516 PolarHBondContact O-N 2.93Å; A513-R516 PolarHBondContact O-N 3.4Å; F514-R516 VanDerWaalsContact C-N 3.28Å; F514-R516 PolarHBondContact O-N 2.99Å; R516-H519 PolarHBondContact O-N 3.48Å
517	L	92.1	Very high	82.3	Confident	57 Å²	57	86.9 Å²	86.9	30%	0.298	48%	0.481	S	S	.	.	H	α-helix	trans	-69.2	-34	-178.1	-73.7	175.3	0	0	0	113.2	L79 A83 T86 A513 F514 H519	L79-L517 HydrophobicContact CD1-CB 3.85Å; L79-L517 HydrophobicContact CD1-CD1 3.86Å; A83-L517 HydrophobicContact CB-CD1 4Å; T86-L517 HydrophobicContact CG2-CD2 4.14Å; A513-L517 WeakPolarHBondContact O-CG 3.43Å; A513-L517 PolarHBondContact O-N 3.47Å; F514-L517 PolarHBondContact O-N 3.03Å; L517-H519 VanDerWaalsContact C-N 3.26Å; L517-H519 PolarHBondContact O-N 3.15Å
518	L	92.3	Very high	81.7	Confident	94 Å²	94	90.9 Å²	90.9	49%	0.492	50%	0.503	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	4.6	177.5	-63.1	174.2	0	0	0	112.9	L79 F514 I520	L79-L518 HydrophobicContact CD1-CD2 4.3Å; L79-L518 HydrophobicContact CD1-CG 4.27Å; L79-L518 HydrophobicContact CD2-CD1 3.97Å; L79-L518 HydrophobicContact CD2-CG 4.32Å; F514-L518 WeakPolarHBondContact O-CB 3.45Å; F514-L518 WeakPolarHBondContact O-CG 3.36Å; F514-L518 PolarHBondContact O-N 3.32Å; L518-I520 HydrophobicContact CB-CD1 3.66Å; L518-I520 HydrophobicContact CB-CG1 3.76Å; L518-I520 HydrophobicContact CD1-CD1 3.88Å; L518-I520 HydrophobicContact CG-CD1 4.44Å; L518-I520 PolarHBondContact O-N 2.87Å
519	H	87.8	Confident	81.2	Confident	154 Å²	154	91.3 Å²	91.3	71%	0.713	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	23.2	-172.6	-58.7	105.4	0	0	0	114.5	K515 R516 L517 G521	K515-H519 PolarHBondContact O-N 3.3Å; R516-H519 PolarHBondContact O-N 3.48Å; L517-H519 VanDerWaalsContact C-N 3.26Å; L517-H519 PolarHBondContact O-N 3.15Å; H519-G521 PolarHBondContact O-N 3.05Å
520	I	77.6	Confident	80.5	Confident	107 Å²	107	91.5 Å²	91.5	55%	0.549	50%	0.498	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	101.9	179.8	-61.2	171.8	0	0	0	108.2	K515 L518	K515-I520 PolarHBondContact O-N 3.39Å; L518-I520 HydrophobicContact CB-CD1 3.66Å; L518-I520 HydrophobicContact CB-CG1 3.76Å; L518-I520 HydrophobicContact CD1-CD1 3.88Å; L518-I520 HydrophobicContact CG-CD1 4.44Å; L518-I520 PolarHBondContact O-N 2.87Å
521	G	63.4	Low	79.7	Confident	60 Å²	60	97.5 Å²	97.5	62%	0.619	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.2	34.2	173	0	0	0	0	0	115.7	H519 N523	H519-G521 PolarHBondContact O-N 3.05Å; G521-N523 VanDerWaalsContact C-N 3.25Å; G521-N523 PolarHBondContact O-N 2.85Å
522	S	58.5	Low	78.6	Confident	93 Å²	93	103.4 Å²	103.4	65%	0.65	56%	0.558	S	S	*	*			trans	-84.4	15.4	171.9	-165.3	0	0	0	0	114.3
523	N	48	Very low	77.4	Confident	170 Å²	170	101.5 Å²	101.5	91%	0.909	56%	0.559	S	S	*	*			trans	-115.2	29.6	180	-76.4	-4.7	0	0	0	113.6	G521	G521-N523 VanDerWaalsContact C-N 3.25Å; G521-N523 PolarHBondContact O-N 2.85Å
524	S	35.6	Very low	76	Confident	173 Å²	173	110.5 Å²	110.5	100%	1.21	61%	0.608	S	S	*	*			trans	-151.6	0	167.8	54.3	0	0	0	0	111.3

Retrieved 524 of 524 residues in 121 ms (Link to these results)

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