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Gamma-glutamyl carboxylase

AlphaFold DB , UniProt , Accession A0A089X5C5, Species DROME (Drosophila melanogaster, Fruit fly), Gene GC, Length 672 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.5	Very low	33.2	Very low	248 Å²	248	158.4 Å²	158.4	100%	1.222	81%	0.813	S	S	*	*				0	127.6	0	-87.9	174.3	166.4	0	0	108.7
2	A	27.9	Very low	34	Very low	91 Å²	91	155.2 Å²	155.2	75%	0.752	81%	0.81	S	S	*	*			trans	50.4	111.3	161.4	0	0	0	0	0	118.9
3	N	30	Very low	33.6	Very low	164 Å²	164	151.3 Å²	151.3	88%	0.877	80%	0.804	S	S	*	*				62	140.3	89.5	-87.3	-17.9	0	0	0	113.1
4	S	31.4	Very low	33.4	Very low	83 Å²	83	147 Å²	147	58%	0.58	80%	0.8	S	S	*	*			cis	165.4	142.9	10.5	-178.8	0	0	0	0	103.1
5	K	34.9	Very low	33.1	Very low	166 Å²	166	145.5 Å²	145.5	72%	0.722	80%	0.798	S	S	*	*				158.6	128.6	90.9	-116.6	140.4	-173.6	-168.4	0	107.2
6	R	33.1	Very low	32.8	Very low	214 Å²	214	147.1 Å²	147.1	81%	0.808	79%	0.794	S	S	*	*				79.9	133.8	99.3	-123.6	-174	-159	177.9	3.1	113.1
7	K	31.4	Very low	32.6	Very low	185 Å²	185	146.9 Å²	146.9	80%	0.804	79%	0.793	S	S	*	*			cis	-166.4	149.4	45.1	-87.7	177	175.6	177.7	0	111.7
8	L	32.6	Very low	32.3	Very low	162 Å²	162	144.1 Å²	144.1	85%	0.848	79%	0.793	S	S	*	*			trans	-85.3	174.8	153.1	-95.7	148.7	0	0	0	109.4
9	P	46.4	Very low	32	Very low	105 Å²	105	143.4 Å²	143.4	68%	0.682	79%	0.793	S	S	*	*			cis	-141.5	-170.8	34.9	34.9	-8.6	0	0	0	113.1
10	T	31.1	Very low	33.4	Very low	131 Å²	131	141.2 Å²	141.2	80%	0.804	79%	0.786	S	S	*	*			cis	-177.4	153.7	44.3	-12.3	0	0	0	0	109.8
11	K	33.5	Very low	33.2	Very low	193 Å²	193	142.8 Å²	142.8	84%	0.839	79%	0.787	S	S	*	*			trans	-101.8	162.6	164.4	-99.5	-176.7	177.3	179.5	0	110.3
12	P	43.3	Very low	33	Very low	120 Å²	120	138.5 Å²	138.5	78%	0.779	76%	0.762	S	S	*	*				-146	139.8	108.3	31.8	-12.7	0	0	0	112.7
13	S	29.1	Very low	33	Very low	105 Å²	105	139.8 Å²	139.8	73%	0.734	76%	0.756	S	S	*	*				98.1	126.6	72.2	87.1	0	0	0	0	115.5
14	A	30.3	Very low	32.7	Very low	91 Å²	91	138.1 Å²	138.1	75%	0.752	75%	0.752	S	S	*	*			trans	66	146.4	147.7	0	0	0	0	0	118.8
15	T	28.7	Very low	33.2	Very low	124 Å²	124	139.6 Å²	139.6	76%	0.761	76%	0.759	S	S	*	*			cis	-170.6	145.6	26	-12.2	0	0	0	0	112
16	K	29.4	Very low	32.8	Very low	171 Å²	171	143 Å²	143	74%	0.743	77%	0.768	S	S	*	*			trans	44.2	143.5	134.9	-81.7	-178.9	171.8	-167.3	0	127.6
17	D	28.7	Very low	32.4	Very low	144 Å²	144	137.4 Å²	137.4	77%	0.77	76%	0.762	S	S	*	*			trans	65.3	146.6	143.2	-55.8	-18.9	0	0	0	118.8
18	A	27.8	Very low	32	Very low	96 Å²	96	133.4 Å²	133.4	79%	0.793	76%	0.757	S	S	*	*			cis	-161.7	167.1	10.3	0	0	0	0	0	110.9
19	T	26.4	Very low	31.8	Very low	131 Å²	131	134.6 Å²	134.6	80%	0.804	76%	0.758	S	S	*	*			trans	-71.2	-168.1	171	45.1	0	0	0	0	114.7
20	P	59.3	Low	30.9	Very low	100 Å²	100	138.6 Å²	138.6	65%	0.649	77%	0.768	S	S	*	*				-133.4	-177.5	-56	37.9	-20	0	0	0	112.6
21	H	28.8	Very low	30.7	Very low	174 Å²	174	142.1 Å²	142.1	81%	0.806	77%	0.772	S	S	*	*			trans	151.5	155	154.9	-90	-58.1	0	0	0	111.3
22	K	29.5	Very low	30.4	Very low	159 Å²	159	138.5 Å²	138.5	69%	0.691	77%	0.768	S	S	*	*			cis	-173	144.3	-26	-137.3	-166.1	173.1	-165.4	0	106.9
23	D	28.4	Very low	29.6	Very low	117 Å²	117	138.9 Å²	138.9	63%	0.626	77%	0.769	S	S	*	*			trans	57.2	107.9	145.9	-57.3	-18	0	0	0	125.2
24	T	23.6	Very low	29.4	Very low	130 Å²	130	141.8 Å²	141.8	80%	0.798	78%	0.776	S	S	*	*				41.5	169.4	125.3	27	0	0	0	0	124.1
25	P	41.6	Very low	29.3	Very low	113 Å²	113	143.7 Å²	143.7	73%	0.734	78%	0.778	S	S	*	*			cis	-137.9	163.8	-35.4	37.2	-20.2	0	0	0	114.8
26	R	25.2	Very low	29	Very low	238 Å²	238	144.9 Å²	144.9	90%	0.898	78%	0.78	S	S	*	*				168.5	132	129.5	-111.2	179.8	170.7	164.1	-3.7	116.2
27	S	24.5	Very low	29	Very low	97 Å²	97	145.4 Å²	145.4	68%	0.678	78%	0.784	S	S	*	*			trans	58.1	125.8	139.1	63.5	0	0	0	0	123.7
28	S	24.7	Very low	28.9	Very low	100 Å²	100	148 Å²	148	70%	0.699	79%	0.789	S	S	*	*			trans	70	102.9	135.8	63	0	0	0	0	119.1
29	E	27.6	Very low	28.9	Very low	187 Å²	187	148.4 Å²	148.4	87%	0.874	79%	0.786	S	S	*	*				172.1	120.7	103.8	-91.4	176.5	176	0	0	108.8
30	E	27.5	Very low	29.1	Very low	190 Å²	190	146.5 Å²	146.5	89%	0.888	78%	0.783	S	S	*	*			trans	-84.2	118	173.9	-86.1	179.4	151.3	0	0	110
31	F	26.1	Very low	27.8	Very low	204 Å²	204	151.1 Å²	151.1	90%	0.895	79%	0.793	S	S	*	*			trans	-147.9	149.9	149.5	-88.8	-76.5	0	0	0	109.2
32	P	28.9	Very low	28.3	Very low	118 Å²	118	150.9 Å²	150.9	77%	0.766	79%	0.79	S	S	*	*			trans	-86.9	136.7	-144.4	33	-35.4	0	0	0	113.7
33	T	24.8	Very low	28.8	Very low	128 Å²	128	148.9 Å²	148.9	79%	0.785	80%	0.796	S	S	*	*			trans	-82.3	123.1	168.1	43.5	0	0	0	0	111.2	V35	T33-V35 PolarHBondContact O-N 2.93Å; T33-V35 VanDerWaalsContact O-N 3.15Å
34	D	26	Very low	29.9	Very low	165 Å²	165	148.6 Å²	148.6	88%	0.882	79%	0.79	S	S	*	*			trans	-38.6	110	162.3	-92.3	-45.5	0	0	0	112.6	N36	D34-N36 PolarHBondContact O-N 2.9Å
35	V	27.2	Very low	31.8	Very low	132 Å²	132	148 Å²	148	80%	0.8	78%	0.781	S	S	*	*			trans	-84.3	95.9	162.4	179.7	0	0	0	0	107.8	T33 H37	T33-V35 PolarHBondContact O-N 2.93Å; T33-V35 VanDerWaalsContact O-N 3.15Å; V35-H37 PolarHBondContact O-N 3.49Å
36	N	24	Very low	33.1	Very low	148 Å²	148	147.8 Å²	147.8	79%	0.791	78%	0.779	S	S	*	*			trans	-38.6	95.8	165.1	-136.5	-20.7	0	0	0	112	D34 K38	D34-N36 PolarHBondContact O-N 2.9Å; N36-K38 PolarHBondContact O-N 3.07Å
37	H	28	Very low	35.1	Very low	182 Å²	182	143 Å²	143	84%	0.843	77%	0.767	S	S	*	*			trans	-68.3	100.5	165.8	-111.2	-69.7	0	0	0	107.9	V35 S39	V35-H37 PolarHBondContact O-N 3.49Å; H37-S39 VanDerWaalsContact C-N 3.3Å; H37-S39 PolarHBondContact O-N 3.4Å
38	K	27.1	Very low	37.4	Very low	200 Å²	200	140.3 Å²	140.3	87%	0.87	75%	0.745	S	S	*	*			trans	-55.7	95.8	164.5	-82.7	177.2	175.7	173.7	0	108.7	N36 A40	N36-K38 PolarHBondContact O-N 3.07Å; K38-A40 PolarHBondContact O-N 2.94Å
39	S	27.7	Very low	39.7	Very low	103 Å²	103	141.2 Å²	141.2	72%	0.72	74%	0.738	S	S	*	*			trans	-57.6	106.7	159.3	174.4	0	0	0	0	107.5	H37 K41	H37-S39 VanDerWaalsContact C-N 3.3Å; H37-S39 PolarHBondContact O-N 3.4Å; S39-K41 VanDerWaalsContact C-N 3.26Å; S39-K41 PolarHBondContact O-N 3.32Å
40	A	29.9	Very low	42	Very low	92 Å²	92	139 Å²	139	76%	0.76	73%	0.726	S	S	*	*			trans	-63.7	93.8	167.5	0	0	0	0	0	107.5	K38 K42	K38-A40 PolarHBondContact O-N 2.94Å; A40-K42 VanDerWaalsContact C-N 3.25Å; A40-K42 PolarHBondContact O-N 3.37Å
41	K	33.6	Very low	44.3	Very low	196 Å²	196	132.2 Å²	132.2	85%	0.852	69%	0.694	S	S	*	*			trans	-56.7	91.1	164.9	-83.2	-179.9	173.7	177.2	0	108.2	S39 S43	S39-K41 VanDerWaalsContact C-N 3.26Å; S39-K41 PolarHBondContact O-N 3.32Å; K41-S43 PolarHBondContact O-N 2.97Å; K41-S43 VanDerWaalsContact O-N 3.14Å
42	K	39.1	Very low	46.8	Very low	169 Å²	169	129.3 Å²	129.3	74%	0.735	68%	0.677	S	S	*	*			trans	-60.5	113	158.1	-87.1	178	176.7	173.3	0	106	A40 F44	A40-K42 VanDerWaalsContact C-N 3.25Å; A40-K42 PolarHBondContact O-N 3.37Å; K42-F44 VanDerWaalsContact C-N 3.32Å; K42-F44 HydrophobicContact CB-CD2 4.34Å; K42-F44 HydrophobicContact CB-CE2 3.96Å; K42-F44 HydrophobicContact CB-CZ 4.49Å; K42-F44 WeakPolarHBondContact O-CD2 3.22Å; K42-F44 PolarHBondContact O-N 3.35Å
43	S	39.3	Very low	48.8	Very low	118 Å²	118	127.4 Å²	127.4	83%	0.825	66%	0.66	S	S	*	*			trans	-64.1	93.4	172.2	56.3	0	0	0	0	108.4	K41 L45	K41-S43 PolarHBondContact O-N 2.97Å; K41-S43 VanDerWaalsContact O-N 3.14Å; S43-L45 PolarHBondContact O-N 2.8Å
44	F	50.8	Low	51	Low	111 Å²	111	123.8 Å²	123.8	49%	0.487	64%	0.64	S	S	.	*			trans	-69.3	130.4	172.7	-75.7	-88.5	0	0	0	108.4	K42 N48	K42-F44 VanDerWaalsContact C-N 3.32Å; K42-F44 HydrophobicContact CB-CD2 4.34Å; K42-F44 HydrophobicContact CB-CE2 3.96Å; K42-F44 HydrophobicContact CB-CZ 4.49Å; K42-F44 WeakPolarHBondContact O-CD2 3.22Å; K42-F44 PolarHBondContact O-N 3.35Å; F44-N48 HydrophobicContact CB-CB 4.31Å; F44-N48 HydrophobicContact CD1-CB 4.02Å
45	L	63.5	Low	53.2	Low	118 Å²	118	119.6 Å²	119.6	62%	0.618	62%	0.617	S	S	*	*			trans	-50.9	140.9	168.3	-77	147	0	0	0	109	S43 Q47 N48 Q49	S43-L45 PolarHBondContact O-N 2.8Å; L45-Q47 PolarHBondContact O-N 2.81Å; L45-N48 WeakPolarHBondContact O-CB 3.45Å; L45-N48 PolarHBondContact O-N 2.8Å; L45-Q49 PolarHBondContact O-N 2.83Å
46	P	69.4	Low	55.4	Low	108 Å²	108	115 Å²	115	70%	0.701	60%	0.596	S	S	*	*	H	α-helix	trans	-50.3	-32.3	179.2	-27.5	33.2	0	0	0	113.4	Q49 F50	P46-Q49 PolarHBondContact O-N 3.35Å; P46-F50 WeakPolarHBondContact O-CB 3.43Å; P46-F50 PolarHBondContact O-N 3Å
47	Q	67.1	Low	58	Low	137 Å²	137	110.4 Å²	110.4	64%	0.64	57%	0.57	S	S	*	*	H	α-helix	trans	-65.2	-36.8	176.4	-167.6	174.2	8.1	0	0	113.7	L45 F51	L45-Q47 PolarHBondContact O-N 2.81Å; Q47-F51 VanDerWaalsContact O-CB 3.24Å; Q47-F51 WeakPolarHBondContact O-CB 3.31Å; Q47-F51 PolarHBondContact O-N 2.87Å
48	N	73.2	Confident	60.6	Low	40 Å²	40	104.8 Å²	104.8	21%	0.214	55%	0.546	C	S	.	.	H	α-helix	trans	-69.9	-37.8	176.2	-79.4	-8.5	0	0	0	111.5	F44 L45 R52 L59	F44-N48 HydrophobicContact CB-CB 4.31Å; F44-N48 HydrophobicContact CD1-CB 4.02Å; L45-N48 WeakPolarHBondContact O-CB 3.45Å; L45-N48 PolarHBondContact O-N 2.8Å; N48-R52 WeakPolarHBondContact O-CB 3.43Å; N48-R52 PolarHBondContact O-N 3.32Å; N48-L59 WeakPolarHBondContact OD1-CB 3.37Å; N48-L59 WeakPolarHBondContact OD1-CD2 3.31Å
49	Q	73.7	Confident	63.3	Low	120 Å²	120	97.4 Å²	97.4	56%	0.561	52%	0.516	S	S	*	.	H	α-helix	trans	-68.1	-46.2	177.4	-168.6	164.9	4	0	0	110.7	L45 P46 F51 R52 D53	L45-Q49 PolarHBondContact O-N 2.83Å; P46-Q49 PolarHBondContact O-N 3.35Å; Q49-F51 PolarHBondContact O-N 2.7Å; Q49-R52 PolarHBondContact O-N 3.09Å; Q49-D53 VanDerWaalsContact O-CB 3.3Å; Q49-D53 WeakPolarHBondContact O-CB 3.08Å; Q49-D53 VanDerWaalsContact O-CG 3.29Å; Q49-D53 PolarHBondContact O-N 2.87Å
50	F	75.1	Confident	66	Low	141 Å²	141	95.5 Å²	95.5	62%	0.618	50%	0.503	S	S	*	.	H	α-helix	trans	-57	-47.5	172.7	179.1	-97.7	0	0	0	112.5	P46 R52 D53 C54	P46-F50 WeakPolarHBondContact O-CB 3.43Å; P46-F50 PolarHBondContact O-N 3Å; F50-R52 VanDerWaalsContact C-N 3.34Å; F50-R52 PolarHBondContact O-N 2.82Å; F50-D53 PolarHBondContact O-N 3.46Å; F50-C54 VanDerWaalsContact CE2-SG 3.56Å; F50-C54 VanDerWaalsContact CZ-SG 3.56Å; F50-C54 WeakPolarHBondContact O-CB 3.45Å; F50-C54 PolarHBondContact O-N 3.39Å; F50-C54 PolarHBondContact O-SG 2.95Å
51	F	76.4	Confident	68.6	Low	46 Å²	46	93.1 Å²	93.1	20%	0.202	48%	0.477	C	S	.	.	H	α-helix	trans	-63.1	-40	-179.5	-169.7	-91.6	0	0	0	112	Q47 Q49 L55 H57 L59 F62	Q47-F51 VanDerWaalsContact O-CB 3.24Å; Q47-F51 WeakPolarHBondContact O-CB 3.31Å; Q47-F51 PolarHBondContact O-N 2.87Å; Q49-F51 PolarHBondContact O-N 2.7Å; F51-L55 HydrophobicContact CD2-CD1 3.65Å; F51-L55 HydrophobicContact CE1-CD1 4.15Å; F51-L55 HydrophobicContact CE2-CD1 3.23Å; F51-L55 HydrophobicContact CG-CD1 4.27Å; F51-L55 HydrophobicContact CZ-CD1 3.51Å; F51-L55 WeakPolarHBondContact O-CB 3.26Å; F51-L55 PolarHBondContact O-N 2.71Å; F51-H57 WeakPolarHBondContact CD1-O 3.43Å; F51-H57 HydrophobicContact CE1-CB 4.34Å; F51-L59 HydrophobicContact CD1-CB 3.98Å; F51-L59 HydrophobicContact CD1-CD1 4Å; F51-L59 HydrophobicContact CD2-CD1 3.79Å; F51-L59 HydrophobicContact CE1-CB 4.44Å; F51-L59 HydrophobicContact CE1-CD1 4.06Å; F51-L59 HydrophobicContact CE2-CD1 3.82Å; F51-L59 HydrophobicContact CG-CB 4.31Å; F51-L59 HydrophobicContact CG-CD1 3.88Å; F51-L59 HydrophobicContact CZ-CD1 3.98Å; F51-F62 AromaticContact CE1-CD2 3.66Å; F51-F62 HydrophobicContact CE1-CD2 3.66Å; F51-F62 AromaticContact CE1-CE2 3.6Å; F51-F62 HydrophobicContact CE1-CE2 3.6Å; F51-F62 AromaticContact CZ-CD2 3.67Å; F51-F62 HydrophobicContact CZ-CD2 3.67Å; F51-F62 AromaticContact CZ-CE2 3.77Å; F51-F62 HydrophobicContact CZ-CE2 3.77Å
52	R	77.8	Confident	71.2	Confident	144 Å²	144	87.5 Å²	87.5	54%	0.543	45%	0.453	S	S	.	.	H	α-helix	trans	-67.8	-41.4	174.2	-173.1	178.6	176.5	-174	-0.8	112.2	N48 Q49 F50 G56 H57 D58	N48-R52 WeakPolarHBondContact O-CB 3.43Å; N48-R52 PolarHBondContact O-N 3.32Å; Q49-R52 PolarHBondContact O-N 3.09Å; F50-R52 VanDerWaalsContact C-N 3.34Å; F50-R52 PolarHBondContact O-N 2.82Å; R52-G56 WeakPolarHBondContact O-CA 3.4Å; R52-G56 PolarHBondContact O-N 3.42Å; R52-H57 WeakPolarHBondContact CA-O 3.43Å; R52-D58 WeakPolarHBondContact CD-OD1 3.31Å; R52-D58 IonicContact NE-OD1 2.75Å
53	D	71.6	Confident	73.4	Confident	78 Å²	78	84.1 Å²	84.1	42%	0.417	45%	0.446	S	S	.	.	H	α-helix	trans	-71.1	-31.9	-178.6	-77.7	-34.1	0	0	0	113.3	Q49 F50 K289	Q49-D53 VanDerWaalsContact O-CB 3.3Å; Q49-D53 WeakPolarHBondContact O-CB 3.08Å; Q49-D53 VanDerWaalsContact O-CG 3.29Å; Q49-D53 PolarHBondContact O-N 2.87Å; F50-D53 PolarHBondContact O-N 3.46Å; D53-K289 WeakPolarHBondContact O-CE 3.38Å; D53-K289 PolarHBondContact O-NZ 2.95Å; D53-K289 IonicContact OD1-NZ 2.97Å
54	C	70.6	Confident	75.9	Confident	52 Å²	52	80.7 Å²	80.7	35%	0.351	42%	0.422	S	S	.	.	H	α-helix	trans	-81.8	-62.3	174.1	-69	0	0	0	0	110.6	F50 L287	F50-C54 VanDerWaalsContact CE2-SG 3.56Å; F50-C54 VanDerWaalsContact CZ-SG 3.56Å; F50-C54 WeakPolarHBondContact O-CB 3.45Å; F50-C54 PolarHBondContact O-N 3.39Å; F50-C54 PolarHBondContact O-SG 2.95Å; C54-L287 WeakPolarHBondContact O-CD2 3.24Å
55	L	72.7	Confident	77.7	Confident	77 Å²	77	79.7 Å²	79.7	40%	0.403	42%	0.422	S	S	.	.	H	α-helix	trans	-93.5	-3.2	-167	-64.9	165.1	0	0	0	114.4	F51 H57 L287	F51-L55 HydrophobicContact CD2-CD1 3.65Å; F51-L55 HydrophobicContact CE1-CD1 4.15Å; F51-L55 HydrophobicContact CE2-CD1 3.23Å; F51-L55 HydrophobicContact CG-CD1 4.27Å; F51-L55 HydrophobicContact CZ-CD1 3.51Å; F51-L55 WeakPolarHBondContact O-CB 3.26Å; F51-L55 PolarHBondContact O-N 2.71Å; L55-H57 PolarHBondContact O-CD2 3.39Å; L55-H57 PolarHBondContact O-N 2.91Å; L55-L287 HydrophobicContact CD2-CD2 3.98Å
56	G	72.1	Confident	79	Confident	36 Å²	36	76.4 Å²	76.4	37%	0.371	41%	0.407	S	S	.	.	S	Bend	trans	68.2	13.4	-179.3	0	0	0	0	0	114	R52	R52-G56 WeakPolarHBondContact O-CA 3.4Å; R52-G56 PolarHBondContact O-N 3.42Å
57	H	80	Confident	80	Confident	51 Å²	51	73.9 Å²	73.9	24%	0.236	39%	0.387	C	S	.	.	S	Bend	trans	-130.2	147.1	-174.8	-64.9	-36.1	0	0	0	111.6	F51 R52 L55 F62 W71	F51-H57 WeakPolarHBondContact CD1-O 3.43Å; F51-H57 HydrophobicContact CE1-CB 4.34Å; R52-H57 WeakPolarHBondContact CA-O 3.43Å; L55-H57 PolarHBondContact O-CD2 3.39Å; L55-H57 PolarHBondContact O-N 2.91Å; H57-F62 HydrophobicContact CB-CE2 3.93Å; H57-F62 HydrophobicContact CB-CZ 4.34Å; H57-W71 AromaticContact CD2-CZ2 3.98Å; H57-W71 AromaticContact NE2-CZ2 3.71Å
58	D	82.5	Confident	81.2	Confident	64 Å²	64	68.7 Å²	68.7	34%	0.342	36%	0.362	S	S	.	.			trans	-76.3	134.4	173.1	-65.5	-44.9	0	0	0	110.8	R52 S60 N61	R52-D58 WeakPolarHBondContact CD-OD1 3.31Å; R52-D58 IonicContact NE-OD1 2.75Å; D58-S60 PolarHBondContact O-N 3.16Å; D58-S60 VanDerWaalsContact O-N 3.17Å; D58-N61 WeakPolarHBondContact O-CB 3.35Å; D58-N61 PolarHBondContact O-N 2.85Å; D58-N61 VanDerWaalsContact O-N 3.14Å; D58-N61 PolarHBondContact O-ND2 2.99Å
59	L	83.5	Confident	82.2	Confident	45 Å²	45	66.8 Å²	66.8	24%	0.236	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-59.5	-29.1	179.9	-171	67.2	0	0	0	112.3	N48 F51 N61 F62	N48-L59 WeakPolarHBondContact OD1-CB 3.37Å; N48-L59 WeakPolarHBondContact OD1-CD2 3.31Å; F51-L59 HydrophobicContact CD1-CB 3.98Å; F51-L59 HydrophobicContact CD1-CD1 4Å; F51-L59 HydrophobicContact CD2-CD1 3.79Å; F51-L59 HydrophobicContact CE1-CB 4.44Å; F51-L59 HydrophobicContact CE1-CD1 4.06Å; F51-L59 HydrophobicContact CE2-CD1 3.82Å; F51-L59 HydrophobicContact CG-CB 4.31Å; F51-L59 HydrophobicContact CG-CD1 3.88Å; F51-L59 HydrophobicContact CZ-CD1 3.98Å; L59-N61 PolarHBondContact O-N 3.18Å; L59-N61 VanDerWaalsContact O-N 3.11Å; L59-F62 PolarHBondContact O-N 3.01Å
60	S	84	Confident	83.2	Confident	63 Å²	63	62.1 Å²	62.1	44%	0.441	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-54.7	-30.1	177.9	54	0	0	0	0	113	D58 F62 T63 N67	D58-S60 PolarHBondContact O-N 3.16Å; D58-S60 VanDerWaalsContact O-N 3.17Å; S60-F62 PolarHBondContact O-N 2.84Å; S60-T63 PolarHBondContact O-N 2.94Å; S60-T63 PolarHBondContact O-OG1 3Å; S60-N67 WeakPolarHBondContact O-CB 3.4Å; S60-N67 PolarHBondContact O-ND2 3.29Å
61	N	85.1	Confident	84	Confident	41 Å²	41	56.3 Å²	56.3	22%	0.219	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-63.6	-24.1	177.2	-66.8	-43.6	0	0	0	113.2	D58 L59 N67 F68 W71	D58-N61 WeakPolarHBondContact O-CB 3.35Å; D58-N61 PolarHBondContact O-N 2.85Å; D58-N61 VanDerWaalsContact O-N 3.14Å; D58-N61 PolarHBondContact O-ND2 2.99Å; L59-N61 PolarHBondContact O-N 3.18Å; L59-N61 VanDerWaalsContact O-N 3.11Å; N61-N67 CarbonylContact O-C 3.59Å; N61-N67 VanDerWaalsContact O-C 3.29Å; N61-F68 WeakPolarHBondContact O-CA 3.42Å; N61-F68 PolarHBondContact O-N 2.91Å; N61-W71 HydrophobicContact CB-CB 4.19Å; N61-W71 HydrophobicContact CB-CG 4.18Å
62	F	86.9	Confident	84.9	Confident	78 Å²	78	54.1 Å²	54.1	34%	0.342	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-108.7	0.3	-174.1	-53.4	-76.3	0	0	0	113.4	F51 H57 L59 S60 F68 W71	F51-F62 AromaticContact CE1-CD2 3.66Å; F51-F62 HydrophobicContact CE1-CD2 3.66Å; F51-F62 AromaticContact CE1-CE2 3.6Å; F51-F62 HydrophobicContact CE1-CE2 3.6Å; F51-F62 AromaticContact CZ-CD2 3.67Å; F51-F62 HydrophobicContact CZ-CD2 3.67Å; F51-F62 AromaticContact CZ-CE2 3.77Å; F51-F62 HydrophobicContact CZ-CE2 3.77Å; H57-F62 HydrophobicContact CB-CE2 3.93Å; H57-F62 HydrophobicContact CB-CZ 4.34Å; L59-F62 PolarHBondContact O-N 3.01Å; S60-F62 PolarHBondContact O-N 2.84Å; F62-F68 AromaticContact CD1-CD2 3.73Å; F62-F68 HydrophobicContact CD1-CD2 3.73Å; F62-F68 HydrophobicContact CD1-CE2 4.05Å; F62-F68 AromaticContact CE1-CD2 3.9Å; F62-F68 HydrophobicContact CE1-CD2 3.9Å; F62-F68 AromaticContact CE1-CE2 3.91Å; F62-F68 HydrophobicContact CE1-CE2 3.91Å; F62-W71 HydrophobicContact CE1-CD2 4.46Å; F62-W71 HydrophobicContact CE1-CE3 4.38Å; F62-W71 HydrophobicContact CE1-CH2 4.41Å; F62-W71 HydrophobicContact CE1-CZ3 4.35Å; F62-W71 HydrophobicContact CZ-CD2 4.47Å; F62-W71 HydrophobicContact CZ-CH2 4.46Å; F62-W71 HydrophobicContact CZ-CZ2 4.17Å
63	T	87	Confident	85.6	Confident	98 Å²	98	49.3 Å²	49.3	60%	0.601	28%	0.282	S	S	*	.	S	Bend	trans	-75.5	-22.9	-177.8	54.7	0	0	0	0	114.2	S60 N67	S60-T63 PolarHBondContact O-N 2.94Å; S60-T63 PolarHBondContact O-OG1 3Å; T63-N67 PolarHBondContact OG1-ND2 3.18Å
64	S	90.4	Very high	86.6	Confident	46 Å²	46	48.6 Å²	48.6	32%	0.322	27%	0.274	S	S	.	.	S	Bend	trans	-146.3	153.4	178.7	75.4	0	0	0	0	111.4	T66 N67 F68	S64-T66 PolarHBondContact O-N 3.19Å; S64-N67 PolarHBondContact O-N 2.84Å; S64-N67 PolarHBondContact OG-N 2.7Å; S64-N67 PolarHBondContact OG-ND2 3.12Å; S64-F68 PolarHBondContact O-N 3Å
65	L	89.6	Confident	87.7	Confident	91 Å²	91	50.7 Å²	50.7	48%	0.476	29%	0.287	S	S	.	.	H	α-helix	trans	-57.6	-36	176.2	-177.1	63.8	0	0	0	111.8	F68 T69 T363 L367	L65-F68 PolarHBondContact O-N 3.22Å; L65-T69 WeakPolarHBondContact O-CB 3.39Å; L65-T69 PolarHBondContact O-N 2.96Å; L65-T69 PolarHBondContact O-OG1 3.22Å; L65-T363 HydrophobicContact CD1-CG2 3.75Å; L65-L367 HydrophobicContact CD1-CD1 4.04Å
66	T	90.6	Very high	88.7	Confident	49 Å²	49	47.7 Å²	47.7	30%	0.301	27%	0.271	S	S	.	.	H	α-helix	trans	-65.1	-45.3	179.5	-56.7	0	0	0	0	111.3	S64 T69 S70 P355	S64-T66 PolarHBondContact O-N 3.19Å; T66-T69 PolarHBondContact O-N 3.19Å; T66-S70 PolarHBondContact O-N 2.95Å; T66-P355 VanDerWaalsContact CG2-CD 3.5Å; T66-P355 HydrophobicContact CG2-CG 3.59Å
67	N	90.3	Very high	89.8	Confident	55 Å²	55	47.5 Å²	47.5	29%	0.294	26%	0.262	S	S	.	.	H	α-helix	trans	-66	-41.1	177.4	-65	-12.3	0	0	0	111	S60 N61 T63 S64 S70 W71	S60-N67 WeakPolarHBondContact O-CB 3.4Å; S60-N67 PolarHBondContact O-ND2 3.29Å; N61-N67 CarbonylContact O-C 3.59Å; N61-N67 VanDerWaalsContact O-C 3.29Å; T63-N67 PolarHBondContact OG1-ND2 3.18Å; S64-N67 PolarHBondContact O-N 2.84Å; S64-N67 PolarHBondContact OG-N 2.7Å; S64-N67 PolarHBondContact OG-ND2 3.12Å; N67-S70 WeakPolarHBondContact O-CB 3.36Å; N67-S70 PolarHBondContact O-N 2.9Å; N67-W71 WeakPolarHBondContact O-CB 3.35Å; N67-W71 PolarHBondContact O-N 3.12Å
68	F	93	Very high	90.4	Very high	27 Å²	27	45 Å²	45	12%	0.118	25%	0.251	C	S	.	.	H	α-helix	trans	-65.5	-42.4	178.2	-177.4	-113.1	0	0	0	111.9	N61 F62 S64 L65 S70 W71 L72 T363 L367	N61-F68 WeakPolarHBondContact O-CA 3.42Å; N61-F68 PolarHBondContact O-N 2.91Å; F62-F68 AromaticContact CD1-CD2 3.73Å; F62-F68 HydrophobicContact CD1-CD2 3.73Å; F62-F68 HydrophobicContact CD1-CE2 4.05Å; F62-F68 AromaticContact CE1-CD2 3.9Å; F62-F68 HydrophobicContact CE1-CD2 3.9Å; F62-F68 AromaticContact CE1-CE2 3.91Å; F62-F68 HydrophobicContact CE1-CE2 3.91Å; S64-F68 PolarHBondContact O-N 3Å; L65-F68 PolarHBondContact O-N 3.22Å; F68-S70 VanDerWaalsContact C-N 3.31Å; F68-S70 PolarHBondContact O-N 2.83Å; F68-W71 AromaticContact CD2-CE3 3.94Å; F68-W71 HydrophobicContact CD2-CE3 3.94Å; F68-W71 HydrophobicContact CD2-CZ3 4.36Å; F68-W71 AromaticContact CE2-CE3 3.69Å; F68-W71 HydrophobicContact CE2-CE3 3.69Å; F68-W71 AromaticContact CE2-CZ3 3.65Å; F68-W71 HydrophobicContact CE2-CZ3 3.65Å; F68-W71 HydrophobicContact CZ-CZ3 4.35Å; F68-W71 PolarHBondContact O-N 2.79Å; F68-L72 HydrophobicContact CD1-CD1 4Å; F68-L72 HydrophobicContact CD1-CG 4.5Å; F68-L72 HydrophobicContact CE1-CD1 3.44Å; F68-L72 VanDerWaalsContact CE1-CD1 3.44Å; F68-L72 HydrophobicContact CE1-CG 4.08Å; F68-L72 HydrophobicContact CE2-CG 4.29Å; F68-L72 HydrophobicContact CZ-CD1 3.74Å; F68-L72 HydrophobicContact CZ-CD2 4.26Å; F68-L72 HydrophobicContact CZ-CG 3.96Å; F68-L72 WeakPolarHBondContact O-CB 3.34Å; F68-L72 PolarHBondContact O-N 3.09Å; F68-T363 HydrophobicContact CD1-CG2 3.64Å; F68-T363 HydrophobicContact CE1-CG2 3.87Å; F68-L367 HydrophobicContact CE1-CD1 4.35Å; F68-L367 HydrophobicContact CE1-CD2 3.78Å; F68-L367 HydrophobicContact CE1-CG 4.17Å; F68-L367 HydrophobicContact CZ-CD2 4.34Å
69	T	94	Very high	91	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-60.1	-42.4	172.6	-65.4	0	0	0	0	111.1	L65 T66 L72 N73 P355 A359 R360 T363	L65-T69 WeakPolarHBondContact O-CB 3.39Å; L65-T69 PolarHBondContact O-N 2.96Å; L65-T69 PolarHBondContact O-OG1 3.22Å; T66-T69 PolarHBondContact O-N 3.19Å; T69-L72 PolarHBondContact O-N 2.99Å; T69-N73 WeakPolarHBondContact O-CB 3.47Å; T69-N73 PolarHBondContact O-N 3.38Å; T69-N73 PolarHBondContact O-ND2 3.38Å; T69-P355 HydrophobicContact CG2-CB 3.44Å; T69-P355 VanDerWaalsContact CG2-CB 3.44Å; T69-P355 HydrophobicContact CG2-CG 3.94Å; T69-A359 HydrophobicContact CG2-CB 3.78Å; T69-R360 HydrophobicContact CG2-CG 4.39Å; T69-T363 WeakPolarHBondContact CB-OG1 3.27Å; T69-T363 WeakPolarHBondContact CG2-OG1 3.41Å; T69-T363 WeakPolarHBondContact OG1-CB 3.48Å; T69-T363 PolarHBondContact OG1-OG1 2.88Å
70	S	93.1	Very high	91.6	Very high	22 Å²	22	39.9 Å²	39.9	15%	0.154	22%	0.224	C	C	.	.	H	α-helix	trans	-64.2	-43.9	176.9	-164.9	0	0	0	0	111.9	T66 N67 F68 L72 N73 R74 L352	T66-S70 PolarHBondContact O-N 2.95Å; N67-S70 WeakPolarHBondContact O-CB 3.36Å; N67-S70 PolarHBondContact O-N 2.9Å; F68-S70 VanDerWaalsContact C-N 3.31Å; F68-S70 PolarHBondContact O-N 2.83Å; S70-L72 PolarHBondContact O-N 2.87Å; S70-N73 PolarHBondContact O-N 3.25Å; S70-N73 VanDerWaalsContact O-N 3.15Å; S70-R74 PolarHBondContact O-N 3.38Å; S70-R74 VanDerWaalsContact O-N 3.07Å; S70-L352 WeakPolarHBondContact OG-CD1 3.39Å; S70-L352 VanDerWaalsContact OG-CD2 3.3Å; S70-L352 WeakPolarHBondContact OG-CD2 3.36Å; S70-L352 WeakPolarHBondContact OG-CG 3.18Å
71	W	93.1	Very high	92.2	Very high	20 Å²	20	36.9 Å²	36.9	8%	0.076	20%	0.203	C	C	.	.	H	α-helix	trans	-59	-45.4	175.5	176.5	86.7	0	0	0	111.6	H57 N61 F62 N67 F68 N73 R74 Y212 F216	H57-W71 AromaticContact CD2-CZ2 3.98Å; H57-W71 AromaticContact NE2-CZ2 3.71Å; N61-W71 HydrophobicContact CB-CB 4.19Å; N61-W71 HydrophobicContact CB-CG 4.18Å; F62-W71 HydrophobicContact CE1-CD2 4.46Å; F62-W71 HydrophobicContact CE1-CE3 4.38Å; F62-W71 HydrophobicContact CE1-CH2 4.41Å; F62-W71 HydrophobicContact CE1-CZ3 4.35Å; F62-W71 HydrophobicContact CZ-CD2 4.47Å; F62-W71 HydrophobicContact CZ-CH2 4.46Å; F62-W71 HydrophobicContact CZ-CZ2 4.17Å; N67-W71 WeakPolarHBondContact O-CB 3.35Å; N67-W71 PolarHBondContact O-N 3.12Å; F68-W71 AromaticContact CD2-CE3 3.94Å; F68-W71 HydrophobicContact CD2-CE3 3.94Å; F68-W71 HydrophobicContact CD2-CZ3 4.36Å; F68-W71 AromaticContact CE2-CE3 3.69Å; F68-W71 HydrophobicContact CE2-CE3 3.69Å; F68-W71 AromaticContact CE2-CZ3 3.65Å; F68-W71 HydrophobicContact CE2-CZ3 3.65Å; F68-W71 HydrophobicContact CZ-CZ3 4.35Å; F68-W71 PolarHBondContact O-N 2.79Å; W71-N73 VanDerWaalsContact C-N 3.29Å; W71-N73 PolarHBondContact O-N 3.36Å; W71-R74 VanDerWaalsContact CD1-NH1 3.29Å; W71-R74 WeakPolarHBondContact O-CD 3.24Å; W71-R74 VanDerWaalsContact O-CG 3.22Å; W71-R74 WeakPolarHBondContact O-CG 3.28Å; W71-R74 PolarHBondContact O-N 3.03Å; W71-R74 PolarHBondContact O-NH1 2.99Å; W71-Y212 HydrophobicContact CE3-CD1 4.46Å; W71-Y212 HydrophobicContact CE3-CE1 4.48Å; W71-Y212 HydrophobicContact CH2-CD1 4.08Å; W71-Y212 AromaticContact CH2-CE1 3.33Å; W71-Y212 HydrophobicContact CH2-CE1 3.33Å; W71-Y212 HydrophobicContact CZ2-CD1 4.25Å; W71-Y212 AromaticContact CZ2-CE1 3.59Å; W71-Y212 HydrophobicContact CZ2-CE1 3.59Å; W71-Y212 HydrophobicContact CZ3-CD1 4.17Å; W71-Y212 AromaticContact CZ3-CE1 3.82Å; W71-Y212 HydrophobicContact CZ3-CE1 3.82Å; W71-F216 HydrophobicContact CH2-CD2 4.08Å; W71-F216 HydrophobicContact CH2-CE2 4.43Å; W71-F216 HydrophobicContact CZ3-CD2 4.1Å; W71-F216 HydrophobicContact CZ3-CE2 4.38Å
72	L	94.3	Very high	92.7	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-64.4	-29.7	176	-80.6	-178	0	0	0	113.6	F68 T69 S70 Y212 W213 F216 T363 I366	F68-L72 HydrophobicContact CD1-CD1 4Å; F68-L72 HydrophobicContact CD1-CG 4.5Å; F68-L72 HydrophobicContact CE1-CD1 3.44Å; F68-L72 VanDerWaalsContact CE1-CD1 3.44Å; F68-L72 HydrophobicContact CE1-CG 4.08Å; F68-L72 HydrophobicContact CE2-CG 4.29Å; F68-L72 HydrophobicContact CZ-CD1 3.74Å; F68-L72 HydrophobicContact CZ-CD2 4.26Å; F68-L72 HydrophobicContact CZ-CG 3.96Å; F68-L72 WeakPolarHBondContact O-CB 3.34Å; F68-L72 PolarHBondContact O-N 3.09Å; T69-L72 PolarHBondContact O-N 2.99Å; S70-L72 PolarHBondContact O-N 2.87Å; L72-Y212 HydrophobicContact CD2-CD1 4.41Å; L72-Y212 PolarHBondContact O-N 2.82Å; L72-W213 HydrophobicContact CB-CB 4.17Å; L72-W213 HydrophobicContact CD2-CB 4.04Å; L72-W213 PolarHBondContact O-N 2.72Å; L72-F216 HydrophobicContact CD2-CB 3.98Å; L72-F216 HydrophobicContact CD2-CD1 3.94Å; L72-F216 HydrophobicContact CD2-CD2 4.31Å; L72-F216 HydrophobicContact CD2-CG 3.8Å; L72-T363 HydrophobicContact CD1-CG2 3.94Å; L72-I366 HydrophobicContact CD1-CD1 4.25Å
73	N	94.1	Very high	93.2	Very high	42 Å²	42	32.8 Å²	32.8	23%	0.225	18%	0.184	C	C	.	.	H	α-helix	trans	-92.8	-1.6	-178.6	-74.8	-80.4	0	0	0	114.1	T69 S70 W71 R362	T69-N73 WeakPolarHBondContact O-CB 3.47Å; T69-N73 PolarHBondContact O-N 3.38Å; T69-N73 PolarHBondContact O-ND2 3.38Å; S70-N73 PolarHBondContact O-N 3.25Å; S70-N73 VanDerWaalsContact O-N 3.15Å; W71-N73 VanDerWaalsContact C-N 3.29Å; W71-N73 PolarHBondContact O-N 3.36Å; N73-R362 PolarHBondContact OD1-NH1 3.15Å
74	R	92	Very high	93.7	Very high	63 Å²	63	28.2 Å²	28.2	24%	0.238	16%	0.155	C	C	.	.			trans	-55.9	137.3	177.9	79.2	-173	179.3	-89.5	8.9	110.7	S70 W71 V76 P211 Y212	S70-R74 PolarHBondContact O-N 3.38Å; S70-R74 VanDerWaalsContact O-N 3.07Å; W71-R74 VanDerWaalsContact CD1-NH1 3.29Å; W71-R74 WeakPolarHBondContact O-CD 3.24Å; W71-R74 VanDerWaalsContact O-CG 3.22Å; W71-R74 WeakPolarHBondContact O-CG 3.28Å; W71-R74 PolarHBondContact O-N 3.03Å; W71-R74 PolarHBondContact O-NH1 2.99Å; R74-V76 HydrophobicContact CG-CG1 4.31Å; R74-P211 WeakPolarHBondContact O-CA 3.31Å; R74-Y212 VanDerWaalsContact NH1-CG 3.3Å; R74-Y212 PolarHBondContact O-N 2.93Å
75	P	93.2	Very high	94.1	Very high	96 Å²	96	26 Å²	26	62%	0.623	14%	0.14	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-69.8	135.1	178.5	28.4	-33.4	0	0	0	110.7	C209	P75-C209 HydrophobicContact CB-CB 3.91Å
76	V	93.9	Very high	94.5	Very high	14 Å²	14	24.2 Å²	24.2	9%	0.085	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	154.4	172.3	-63.2	0	0	0	0	109.4	R74 G78 C209 I210 Y212 Y215 F328	R74-V76 HydrophobicContact CG-CG1 4.31Å; V76-G78 PolarHBondContact O-N 3.05Å; V76-C209 CarbonylContact O-C 3.5Å; V76-C209 VanDerWaalsContact O-CA 3.23Å; V76-C209 WeakPolarHBondContact O-CA 3.45Å; V76-I210 HydrophobicContact CG2-CG1 4.28Å; V76-I210 WeakPolarHBondContact CG2-O 3.31Å; V76-I210 PolarHBondContact N-O 3.11Å; V76-I210 PolarHBondContact O-N 2.55Å; V76-I210 VanDerWaalsContact O-O 3.1Å; V76-Y212 HydrophobicContact CG1-CD2 4.24Å; V76-Y212 HydrophobicContact CG2-CD2 4.48Å; V76-Y215 HydrophobicContact CG2-CD2 3.85Å; V76-Y215 HydrophobicContact CG2-CE2 3.82Å; V76-F328 HydrophobicContact CB-CD1 4.48Å; V76-F328 HydrophobicContact CB-CD2 3.88Å; V76-F328 HydrophobicContact CB-CE2 4.2Å; V76-F328 HydrophobicContact CB-CG 4.05Å; V76-F328 HydrophobicContact CG1-CD2 3.96Å; V76-F328 HydrophobicContact CG1-CE2 3.8Å; V76-F328 HydrophobicContact CG1-CZ 4.26Å; V76-F328 HydrophobicContact CG2-CD1 4.49Å
77	D	94.1	Very high	94.9	Very high	32 Å²	32	25.1 Å²	25.1	17%	0.171	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62	137.8	174.9	-161.8	-58.7	0	0	0	110.5	A79 Y215 F328 D329 R332	D77-A79 VanDerWaalsContact C-N 3.34Å; D77-A79 WeakPolarHBondContact OD1-CB 3.3Å; D77-A79 PolarHBondContact OD1-N 2.91Å; D77-Y215 WeakPolarHBondContact O-CE2 3.49Å; D77-Y215 PolarHBondContact O-OH 3.47Å; D77-F328 HydrophobicContact CB-CB 4.26Å; D77-F328 WeakPolarHBondContact O-CB 3.29Å; D77-D329 HydrophobicContact CB-CB 4.06Å; D77-R332 VanDerWaalsContact CG-NE 3.33Å; D77-R332 IonicContact OD1-CZ 3.19Å; D77-R332 IonicContact OD1-NE 2.77Å; D77-R332 PolarHBondContact OD1-NE 2.93Å; D77-R332 VanDerWaalsContact OD1-NE 3.07Å; D77-R332 IonicContact OD1-NH2 2.75Å; D77-R332 PolarHBondContact OD1-NH2 2.81Å; D77-R332 VanDerWaalsContact OD1-NH2 3.09Å; D77-R332 WeakPolarHBondContact OD2-CD 3.48Å; D77-R332 IonicContact OD2-CZ 3.96Å; D77-R332 IonicContact OD2-NE 3.18Å; D77-R332 PolarHBondContact OD2-NE 3.28Å; D77-R332 IonicContact OD2-NH2 3.31Å
78	G	93.9	Very high	95.3	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.119	C	C	.	.			trans	-84.8	2.5	177.7	0	0	0	0	0	115.5	V76 A80 L81 G82 H208	V76-G78 PolarHBondContact O-N 3.05Å; G78-A80 PolarHBondContact O-N 2.82Å; G78-L81 PolarHBondContact O-N 3.02Å; G78-G82 PolarHBondContact O-N 2.81Å; G78-H208 PolarHBondContact N-O 2.86Å
79	A	94.6	Very high	95.5	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-59.5	-51.9	-170.2	0	0	0	0	0	113.8	D77 L81 G82 I83 Y195 P331 R332	D77-A79 VanDerWaalsContact C-N 3.34Å; D77-A79 WeakPolarHBondContact OD1-CB 3.3Å; D77-A79 PolarHBondContact OD1-N 2.91Å; A79-L81 VanDerWaalsContact C-N 3.28Å; A79-L81 PolarHBondContact O-N 2.87Å; A79-G82 PolarHBondContact O-N 2.71Å; A79-I83 PolarHBondContact O-N 2.78Å; A79-I83 VanDerWaalsContact O-N 3.09Å; A79-Y195 HydrophobicContact CB-CD1 3.88Å; A79-Y195 HydrophobicContact CB-CD2 4Å; A79-Y195 HydrophobicContact CB-CE1 4.06Å; A79-Y195 HydrophobicContact CB-CE2 4.16Å; A79-Y195 HydrophobicContact CB-CG 3.84Å; A79-Y195 VanDerWaalsContact O-CD1 3.27Å; A79-Y195 WeakPolarHBondContact O-CD1 3.39Å; A79-P331 HydrophobicContact CB-CB 4.24Å; A79-P331 HydrophobicContact CB-CG 3.87Å; A79-R332 HydrophobicContact CB-CG 4.05Å
80	A	95.7	Very high	95.7	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.008	13%	0.126	C	C	.	.	H	α-helix	trans	-61.1	-36.5	-180	0	0	0	0	0	112.6	G78 I83 F84 Y215 L324 F328	G78-A80 PolarHBondContact O-N 2.82Å; A80-I83 PolarHBondContact O-N 3.41Å; A80-F84 PolarHBondContact O-N 3.23Å; A80-Y215 HydrophobicContact CB-CE1 3.96Å; A80-Y215 PolarHBondContact N-OH 2.93Å; A80-L324 HydrophobicContact CB-CD2 4.42Å; A80-F328 WeakPolarHBondContact CB-O 3.22Å; A80-F328 PolarHBondContact N-O 3.36Å
81	L	97.1	Very high	95.9	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-68.5	-38	176.9	-176.7	65.6	0	0	0	111.8	G78 A79 I83 F84 R85 A192 I210 N214 Y215 I218 L324	G78-L81 PolarHBondContact O-N 3.02Å; A79-L81 VanDerWaalsContact C-N 3.28Å; A79-L81 PolarHBondContact O-N 2.87Å; L81-I83 VanDerWaalsContact C-N 3.32Å; L81-I83 PolarHBondContact O-N 2.92Å; L81-F84 HydrophobicContact CD1-CD1 4.24Å; L81-F84 PolarHBondContact O-N 2.86Å; L81-R85 WeakPolarHBondContact O-CB 3.48Å; L81-R85 PolarHBondContact O-N 3.12Å; L81-A192 HydrophobicContact CD1-CB 4.45Å; L81-A192 HydrophobicContact CD2-CB 3.94Å; L81-A192 HydrophobicContact CG-CB 3.73Å; L81-I210 HydrophobicContact CB-CD1 4.4Å; L81-I210 HydrophobicContact CD2-CD1 3.55Å; L81-N214 HydrophobicContact CD2-CB 3.71Å; L81-Y215 HydrophobicContact CB-CE1 3.82Å; L81-Y215 HydrophobicContact CB-CE2 4.06Å; L81-Y215 PolarHBondContact N-OH 2.82Å; L81-I218 HydrophobicContact CD1-CG1 4.34Å; L81-L324 HydrophobicContact CD1-CD2 4.42Å
82	G	96.4	Very high	96.2	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-63.7	-35.9	174.2	0	0	0	0	0	113.2	G78 A79 L86 A192	G78-G82 PolarHBondContact O-N 2.81Å; A79-G82 PolarHBondContact O-N 2.71Å; G82-L86 PolarHBondContact O-N 2.82Å; G82-L86 VanDerWaalsContact O-N 3.1Å; G82-A192 WeakPolarHBondContact CA-O 3.3Å
83	I	97.2	Very high	96.3	Very high	32 Å²	32	21.7 Å²	21.7	16%	0.164	12%	0.121	C	C	.	.	H	α-helix	trans	-67.8	-46.1	172.5	-64.2	-57.4	0	0	0	111.2	A79 A80 L81 R85 L86 L87 Y195 C196 W330 P331	A79-I83 PolarHBondContact O-N 2.78Å; A79-I83 VanDerWaalsContact O-N 3.09Å; A80-I83 PolarHBondContact O-N 3.41Å; L81-I83 VanDerWaalsContact C-N 3.32Å; L81-I83 PolarHBondContact O-N 2.92Å; I83-R85 VanDerWaalsContact C-N 3.3Å; I83-R85 PolarHBondContact O-N 2.7Å; I83-L86 WeakPolarHBondContact O-CB 3.37Å; I83-L86 PolarHBondContact O-N 2.85Å; I83-L86 VanDerWaalsContact O-N 3.07Å; I83-L87 HydrophobicContact CG2-CD1 3.98Å; I83-L87 HydrophobicContact CG2-CG 4.31Å; I83-L87 WeakPolarHBondContact O-CG 3.28Å; I83-L87 PolarHBondContact O-N 2.93Å; I83-Y195 HydrophobicContact CD1-CD1 4.23Å; I83-Y195 HydrophobicContact CD1-CE1 3.84Å; I83-Y195 HydrophobicContact CG1-CD1 4.24Å; I83-Y195 HydrophobicContact CG1-CE1 4.03Å; I83-C196 HydrophobicContact CD1-CB 4.33Å; I83-W330 HydrophobicContact CB-CZ2 4.35Å; I83-W330 HydrophobicContact CG1-CH2 4.48Å; I83-W330 HydrophobicContact CG1-CZ2 4.42Å; I83-W330 HydrophobicContact CG2-CH2 4.14Å; I83-W330 HydrophobicContact CG2-CZ2 4.06Å; I83-P331 HydrophobicContact CG1-CB 3.92Å; I83-P331 HydrophobicContact CG1-CG 3.74Å
84	F	98.2	Very high	96.4	Very high	2 Å²	2	22.6 Å²	22.6	1%	0.009	13%	0.126	C	C	.	.	H	α-helix	trans	-55.9	-46.1	174.8	170.6	-103.1	0	0	0	111.7	A80 L81 L86 L87 Y88 V183 L187 I218 F222 A320 E321 L324	A80-F84 PolarHBondContact O-N 3.23Å; L81-F84 HydrophobicContact CD1-CD1 4.24Å; L81-F84 PolarHBondContact O-N 2.86Å; F84-L86 VanDerWaalsContact C-N 3.28Å; F84-L86 PolarHBondContact O-N 3.01Å; F84-L87 PolarHBondContact O-N 3.47Å; F84-Y88 HydrophobicContact CZ-CD2 4.47Å; F84-Y88 VanDerWaalsContact O-CB 3.23Å; F84-Y88 WeakPolarHBondContact O-CB 3.23Å; F84-Y88 PolarHBondContact O-N 3Å; F84-V183 HydrophobicContact CE1-CG1 3.97Å; F84-V183 HydrophobicContact CZ-CG1 3.78Å; F84-L187 HydrophobicContact CD1-CD2 4.37Å; F84-L187 HydrophobicContact CE1-CD1 4.45Å; F84-L187 HydrophobicContact CE1-CD2 4.26Å; F84-I218 HydrophobicContact CD1-CG2 4.39Å; F84-I218 HydrophobicContact CE1-CD1 4.44Å; F84-I218 HydrophobicContact CE1-CG2 3.78Å; F84-I218 HydrophobicContact CZ-CG2 3.85Å; F84-F222 HydrophobicContact CE2-CE2 4.21Å; F84-F222 HydrophobicContact CE2-CZ 4.39Å; F84-F222 AromaticContact CZ-CE2 3.97Å; F84-F222 HydrophobicContact CZ-CE2 3.97Å; F84-F222 HydrophobicContact CZ-CZ 4.38Å; F84-A320 WeakPolarHBondContact CD2-O 3.28Å; F84-E321 HydrophobicContact CD2-CB 4.47Å; F84-E321 HydrophobicContact CE2-CB 4.11Å; F84-E321 HydrophobicContact CE2-CG 4.45Å; F84-L324 HydrophobicContact CB-CD1 4.04Å; F84-L324 HydrophobicContact CB-CD2 3.68Å; F84-L324 HydrophobicContact CB-CG 3.94Å; F84-L324 HydrophobicContact CD1-CD1 4.12Å; F84-L324 HydrophobicContact CD2-CD1 3.82Å; F84-L324 HydrophobicContact CD2-CG 4.32Å; F84-L324 HydrophobicContact CE2-CD1 4.29Å; F84-L324 HydrophobicContact CG-CD1 3.71Å; F84-L324 HydrophobicContact CG-CD2 4.27Å; F84-L324 HydrophobicContact CG-CG 4.16Å
85	R	98	Very high	96.5	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-56	-41.9	174.9	177.2	-142.1	53.4	59.5	-7.6	112.2	L81 I83 G89 I145 M146 F151 A192 C196	L81-R85 WeakPolarHBondContact O-CB 3.48Å; L81-R85 PolarHBondContact O-N 3.12Å; I83-R85 VanDerWaalsContact C-N 3.3Å; I83-R85 PolarHBondContact O-N 2.7Å; R85-G89 PolarHBondContact O-N 2.81Å; R85-I145 WeakPolarHBondContact CD-O 3.3Å; R85-I145 HydrophobicContact CG-CG2 4.23Å; R85-I145 PolarHBondContact NH1-O 3.41Å; R85-M146 VanDerWaalsContact CZ-O 3.24Å; R85-M146 PolarHBondContact NH1-O 2.84Å; R85-M146 PolarHBondContact NH2-O 3.09Å; R85-F151 HydrophobicContact CG-CD2 4.44Å; R85-F151 HydrophobicContact CG-CE2 3.59Å; R85-F151 HydrophobicContact CG-CZ 4.07Å; R85-A192 HydrophobicContact CB-CB 3.79Å; R85-A192 HydrophobicContact CG-CB 3.96Å; R85-C196 PolarHBondContact NH2-O 2.86Å
86	L	98.1	Very high	96.7	Very high	53 Å²	53	15.1 Å²	15.1	28%	0.277	9%	0.085	S	C	.	.	H	α-helix	trans	-62.9	-52.9	177.6	-171.4	154	0	0	0	110.7	G82 I83 F84 Y88 G89 A90 M146 C196	G82-L86 PolarHBondContact O-N 2.82Å; G82-L86 VanDerWaalsContact O-N 3.1Å; I83-L86 WeakPolarHBondContact O-CB 3.37Å; I83-L86 PolarHBondContact O-N 2.85Å; I83-L86 VanDerWaalsContact O-N 3.07Å; F84-L86 VanDerWaalsContact C-N 3.28Å; F84-L86 PolarHBondContact O-N 3.01Å; L86-Y88 PolarHBondContact O-N 3.22Å; L86-G89 PolarHBondContact O-N 3.17Å; L86-A90 WeakPolarHBondContact O-CB 3.47Å; L86-A90 PolarHBondContact O-N 3.26Å; L86-M146 HydrophobicContact CG-CG 4.29Å; L86-M146 WeakPolarHBondContact O-CG 3.29Å; L86-C196 VanDerWaalsContact CD1-SG 3.57Å
87	L	98.2	Very high	96.7	Very high	68 Å²	68	14.6 Å²	14.6	36%	0.356	8%	0.082	S	C	.	.	H	α-helix	trans	-65.1	-39.9	-178.1	-63.2	176.4	0	0	0	112	I83 F84 A90 A91 A320	I83-L87 HydrophobicContact CG2-CD1 3.98Å; I83-L87 HydrophobicContact CG2-CG 4.31Å; I83-L87 WeakPolarHBondContact O-CG 3.28Å; I83-L87 PolarHBondContact O-N 2.93Å; F84-L87 PolarHBondContact O-N 3.47Å; L87-A90 PolarHBondContact O-N 3.21Å; L87-A91 WeakPolarHBondContact O-CB 3.33Å; L87-A91 PolarHBondContact O-N 3.44Å; L87-A320 HydrophobicContact CB-CB 3.62Å; L87-A320 HydrophobicContact CD1-CB 3.98Å; L87-A320 HydrophobicContact CG-CB 4.46Å
88	Y	98.4	Very high	96.6	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-61.5	-48.5	174.2	176.7	-93.4	0	0	0	111.4	F84 L86 A90 A91 M92 I145 F180 V183 G184 L187 V317	F84-Y88 HydrophobicContact CZ-CD2 4.47Å; F84-Y88 VanDerWaalsContact O-CB 3.23Å; F84-Y88 WeakPolarHBondContact O-CB 3.23Å; F84-Y88 PolarHBondContact O-N 3Å; L86-Y88 PolarHBondContact O-N 3.22Å; Y88-A90 VanDerWaalsContact C-N 3.32Å; Y88-A90 PolarHBondContact O-N 2.86Å; Y88-A91 PolarHBondContact O-N 2.86Å; Y88-M92 HydrophobicContact CD1-CG 4.1Å; Y88-M92 HydrophobicContact CE1-CG 3.57Å; Y88-M92 HydrophobicContact CE1-SD 4.35Å; Y88-M92 HydrophobicContact CE2-CE 4.1Å; Y88-M92 HydrophobicContact CE2-CG 4.14Å; Y88-M92 HydrophobicContact CE2-SD 4.06Å; Y88-M92 WeakPolarHBondContact O-CG 3.12Å; Y88-M92 PolarHBondContact O-N 3.24Å; Y88-M92 PolarHBondContact OH-SD 3.43Å; Y88-I145 HydrophobicContact CD1-CG2 4.25Å; Y88-F180 PolarHBondContact OH-O 3.36Å; Y88-V183 HydrophobicContact CD2-CG1 3.66Å; Y88-V183 HydrophobicContact CE1-CG1 4.46Å; Y88-V183 HydrophobicContact CE2-CB 3.86Å; Y88-V183 HydrophobicContact CE2-CG1 3.45Å; Y88-V183 VanDerWaalsContact CE2-CG1 3.45Å; Y88-V183 HydrophobicContact CG-CG1 4.25Å; Y88-G184 PolarHBondContact OH-N 3.46Å; Y88-L187 HydrophobicContact CD1-CD1 3.46Å; Y88-L187 VanDerWaalsContact CD1-CD1 3.46Å; Y88-L187 HydrophobicContact CE1-CD1 3.83Å; Y88-L187 HydrophobicContact CG-CD1 4.03Å; Y88-V317 HydrophobicContact CD2-CG1 4.31Å
89	G	98.2	Very high	96.3	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-60	-41.5	176.5	0	0	0	0	0	112.5	R85 L86 M92 L93	R85-G89 PolarHBondContact O-N 2.81Å; L86-G89 PolarHBondContact O-N 3.17Å; G89-M92 PolarHBondContact O-N 3.4Å; G89-L93 WeakPolarHBondContact O-CG 3.43Å; G89-L93 PolarHBondContact O-N 3.02Å; G89-L93 VanDerWaalsContact O-N 3.08Å
90	A	98	Very high	96.2	Very high	32 Å²	32	18.3 Å²	18.3	26%	0.264	10%	0.098	S	C	.	.	H	α-helix	trans	-62.3	-42.8	174.6	0	0	0	0	0	112.2	L86 L87 Y88 M92 L93 I94 M146	L86-A90 WeakPolarHBondContact O-CB 3.47Å; L86-A90 PolarHBondContact O-N 3.26Å; L87-A90 PolarHBondContact O-N 3.21Å; Y88-A90 VanDerWaalsContact C-N 3.32Å; Y88-A90 PolarHBondContact O-N 2.86Å; A90-M92 VanDerWaalsContact C-N 3.35Å; A90-M92 PolarHBondContact O-N 2.82Å; A90-L93 PolarHBondContact O-N 3.21Å; A90-I94 PolarHBondContact O-N 3.16Å; A90-M146 HydrophobicContact CB-CG 4.35Å; A90-M146 HydrophobicContact CB-SD 3.67Å
91	A	97.8	Very high	96	Very high	8 Å²	8	18.5 Å²	18.5	7%	0.066	10%	0.1	C	C	.	.	H	α-helix	trans	-63	-41.6	176.1	0	0	0	0	0	111.8	L87 Y88 L93 I94 D95 M313 V317	L87-A91 WeakPolarHBondContact O-CB 3.33Å; L87-A91 PolarHBondContact O-N 3.44Å; Y88-A91 PolarHBondContact O-N 2.86Å; A91-L93 VanDerWaalsContact C-N 3.32Å; A91-L93 PolarHBondContact O-N 3.14Å; A91-I94 PolarHBondContact O-N 2.88Å; A91-D95 WeakPolarHBondContact O-CB 3.37Å; A91-D95 PolarHBondContact O-N 3.32Å; A91-M313 HydrophobicContact CB-CE 3.93Å; A91-V317 HydrophobicContact CB-CG2 3.75Å
92	M	98.1	Very high	95.8	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.005	10%	0.1	C	C	.	.	H	α-helix	trans	-65.5	-32.7	177.5	-66	-55.2	91	0	0	113	Y88 G89 A90 I94 D95 I96 A142 F158 F180 V317	Y88-M92 HydrophobicContact CD1-CG 4.1Å; Y88-M92 HydrophobicContact CE1-CG 3.57Å; Y88-M92 HydrophobicContact CE1-SD 4.35Å; Y88-M92 HydrophobicContact CE2-CE 4.1Å; Y88-M92 HydrophobicContact CE2-CG 4.14Å; Y88-M92 HydrophobicContact CE2-SD 4.06Å; Y88-M92 WeakPolarHBondContact O-CG 3.12Å; Y88-M92 PolarHBondContact O-N 3.24Å; Y88-M92 PolarHBondContact OH-SD 3.43Å; G89-M92 PolarHBondContact O-N 3.4Å; A90-M92 VanDerWaalsContact C-N 3.35Å; A90-M92 PolarHBondContact O-N 2.82Å; M92-I94 VanDerWaalsContact C-N 3.27Å; M92-I94 PolarHBondContact O-N 2.94Å; M92-D95 HydrophobicContact CE-CB 4.13Å; M92-D95 PolarHBondContact O-N 2.94Å; M92-I96 WeakPolarHBondContact O-CB 3.34Å; M92-I96 WeakPolarHBondContact O-CD1 3.33Å; M92-I96 WeakPolarHBondContact O-CG1 3.37Å; M92-I96 PolarHBondContact O-N 3.27Å; M92-A142 HydrophobicContact CB-CB 4.15Å; M92-F158 HydrophobicContact CB-CE2 3.97Å; M92-F158 HydrophobicContact CB-CZ 4.25Å; M92-F158 HydrophobicContact CG-CE2 4.08Å; M92-F158 HydrophobicContact CG-CZ 3.83Å; M92-F158 HydrophobicContact SD-CE2 4.41Å; M92-F158 HydrophobicContact SD-CZ 3.82Å; M92-F180 HydrophobicContact CE-CB 4.3Å; M92-F180 HydrophobicContact CE-CD1 4.18Å; M92-F180 HydrophobicContact CE-CD2 3.58Å; M92-F180 HydrophobicContact CE-CE1 4.43Å; M92-F180 HydrophobicContact CE-CE2 3.84Å; M92-F180 HydrophobicContact CE-CG 3.76Å; M92-F180 HydrophobicContact CE-CZ 4.25Å; M92-F180 HydrophobicContact SD-CB 3.93Å; M92-F180 HydrophobicContact SD-CD2 4.03Å; M92-F180 HydrophobicContact SD-CG 4.05Å; M92-V317 HydrophobicContact CE-CG2 4.06Å
93	L	97.3	Very high	95.7	Very high	11 Å²	11	18.7 Å²	18.7	6%	0.058	10%	0.102	C	C	.	.	H	α-helix	trans	-59.9	-40.9	174.7	-72.6	171.3	0	0	0	111.6	G89 A90 A91 W139 A142 W143 M146 Y644	G89-L93 WeakPolarHBondContact O-CG 3.43Å; G89-L93 PolarHBondContact O-N 3.02Å; G89-L93 VanDerWaalsContact O-N 3.08Å; A90-L93 PolarHBondContact O-N 3.21Å; A91-L93 VanDerWaalsContact C-N 3.32Å; A91-L93 PolarHBondContact O-N 3.14Å; L93-W139 HydrophobicContact CD2-CG 4.41Å; L93-A142 HydrophobicContact CD2-CB 3.73Å; L93-A142 HydrophobicContact CG-CB 4.1Å; L93-W143 HydrophobicContact CD1-CD2 3.84Å; L93-W143 HydrophobicContact CD1-CE3 4.32Å; L93-W143 HydrophobicContact CD1-CG 4.16Å; L93-W143 HydrophobicContact CD1-CZ2 4.09Å; L93-W143 HydrophobicContact CD2-CB 4.48Å; L93-W143 HydrophobicContact CD2-CD2 4.29Å; L93-W143 HydrophobicContact CD2-CG 3.82Å; L93-M146 HydrophobicContact CD1-CE 3.93Å; L93-M146 HydrophobicContact CD1-SD 3.79Å; L93-Y644 WeakPolarHBondContact O-CE2 3.46Å
94	I	95.6	Very high	95.4	Very high	61 Å²	61	22.5 Å²	22.5	31%	0.313	12%	0.119	S	C	.	.	H	α-helix	trans	-72.2	-47.2	176.6	-59.5	170.5	0	0	0	110.3	A90 A91 M92 I96 A97 E98 M313 R640	A90-I94 PolarHBondContact O-N 3.16Å; A91-I94 PolarHBondContact O-N 2.88Å; M92-I94 VanDerWaalsContact C-N 3.27Å; M92-I94 PolarHBondContact O-N 2.94Å; I94-I96 VanDerWaalsContact C-N 3.27Å; I94-I96 PolarHBondContact O-N 2.85Å; I94-A97 PolarHBondContact O-N 3.22Å; I94-E98 VanDerWaalsContact CG2-OE1 3.23Å; I94-E98 WeakPolarHBondContact CG2-OE1 3.44Å; I94-E98 PolarHBondContact O-N 3.21Å; I94-M313 HydrophobicContact CB-CE 4.3Å; I94-M313 HydrophobicContact CB-CG 4.39Å; I94-M313 HydrophobicContact CB-SD 4.09Å; I94-M313 HydrophobicContact CD1-CE 4.06Å; I94-M313 HydrophobicContact CG2-CE 4.4Å; I94-M313 HydrophobicContact CG2-CG 4.3Å; I94-M313 HydrophobicContact CG2-SD 3.67Å; I94-R640 VanDerWaalsContact CG2-NH1 3.32Å
95	D	95.4	Very high	95.2	Very high	2 Å²	2	22.4 Å²	22.4	1%	0.011	12%	0.119	C	C	.	.	H	α-helix	trans	-58.2	-36.7	-178.3	-165.5	75.8	0	0	0	112.9	A91 M92 A97 E98 E99 R100 F180 M313	A91-D95 WeakPolarHBondContact O-CB 3.37Å; A91-D95 PolarHBondContact O-N 3.32Å; M92-D95 HydrophobicContact CE-CB 4.13Å; M92-D95 PolarHBondContact O-N 2.94Å; D95-A97 PolarHBondContact O-N 3.46Å; D95-E98 CarbonylContact O-C 3.5Å; D95-E98 PolarHBondContact O-N 3.34Å; D95-E99 PolarHBondContact O-N 3.2Å; D95-E99 WeakPolarHBondContact OD1-CB 3.36Å; D95-R100 PolarHBondContact O-N 3.02Å; D95-R100 VanDerWaalsContact OD2-CG 3.31Å; D95-R100 WeakPolarHBondContact OD2-CG 3.47Å; D95-R100 IonicContact OD2-NE 2.87Å; D95-R100 PolarHBondContact OD2-NE 2.91Å; D95-F180 WeakPolarHBondContact OD1-CE2 3.18Å; D95-M313 HydrophobicContact CB-CB 4.2Å; D95-M313 HydrophobicContact CB-CG 3.81Å
96	I	96.1	Very high	94.8	Very high	1 Å²	1	24 Å²	24	1%	0.005	13%	0.127	C	C	.	.	H	α-helix	trans	-60.3	-46	179.6	-74.3	165.8	0	0	0	111.6	M92 I94 G102 Y135 M138 A142 F158 F647	M92-I96 WeakPolarHBondContact O-CB 3.34Å; M92-I96 WeakPolarHBondContact O-CD1 3.33Å; M92-I96 WeakPolarHBondContact O-CG1 3.37Å; M92-I96 PolarHBondContact O-N 3.27Å; I94-I96 VanDerWaalsContact C-N 3.27Å; I94-I96 PolarHBondContact O-N 2.85Å; I96-G102 WeakPolarHBondContact O-CA 3.33Å; I96-G102 PolarHBondContact O-N 3.32Å; I96-Y135 HydrophobicContact CG2-CD1 4.11Å; I96-M138 HydrophobicContact CB-CE 4.38Å; I96-M138 HydrophobicContact CD1-CE 4.38Å; I96-M138 HydrophobicContact CD1-CG 3.9Å; I96-M138 HydrophobicContact CG1-CE 3.87Å; I96-M138 HydrophobicContact CG1-CG 4.29Å; I96-M138 HydrophobicContact CG1-SD 4.32Å; I96-M138 HydrophobicContact CG2-CE 3.8Å; I96-A142 HydrophobicContact CD1-CB 3.78Å; I96-F158 HydrophobicContact CD1-CD2 4.36Å; I96-F158 HydrophobicContact CD1-CE2 4.13Å; I96-F647 HydrophobicContact CG2-CE1 4.39Å; I96-F647 HydrophobicContact CG2-CE2 4.26Å; I96-F647 HydrophobicContact CG2-CZ 3.91Å
97	A	94.4	Very high	94.4	Very high	2 Å²	2	24 Å²	24	2%	0.017	13%	0.13	C	C	.	.	H	α-helix	trans	-73.9	-34.4	-178.7	0	0	0	0	0	111.8	I94 D95 G102 G103 Y644 F647	I94-A97 PolarHBondContact O-N 3.22Å; D95-A97 PolarHBondContact O-N 3.46Å; A97-G102 PolarHBondContact O-N 3.37Å; A97-G103 PolarHBondContact O-N 2.96Å; A97-Y644 HydrophobicContact CB-CD2 3.5Å; A97-Y644 VanDerWaalsContact CB-CD2 3.5Å; A97-Y644 HydrophobicContact CB-CE2 4.04Å; A97-Y644 HydrophobicContact CB-CG 4.25Å; A97-F647 HydrophobicContact CB-CB 4Å; A97-F647 HydrophobicContact CB-CD1 4.06Å; A97-F647 HydrophobicContact CB-CG 4.09Å
98	E	91.3	Very high	94	Very high	36 Å²	36	21.1 Å²	21.1	17%	0.168	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-90.1	-177.5	-67.1	173.2	-154.1	0	0	111.6	I94 D95 R100 G101 R640	I94-E98 VanDerWaalsContact CG2-OE1 3.23Å; I94-E98 WeakPolarHBondContact CG2-OE1 3.44Å; I94-E98 PolarHBondContact O-N 3.21Å; D95-E98 CarbonylContact O-C 3.5Å; D95-E98 PolarHBondContact O-N 3.34Å; E98-R100 VanDerWaalsContact C-N 3.31Å; E98-R100 PolarHBondContact O-N 2.65Å; E98-G101 WeakPolarHBondContact O-CA 3.29Å; E98-G101 PolarHBondContact O-N 3.34Å; E98-R640 WeakPolarHBondContact OE1-CB 3.35Å; E98-R640 VanDerWaalsContact OE1-CD 3.27Å; E98-R640 WeakPolarHBondContact OE1-CD 3.48Å; E98-R640 WeakPolarHBondContact OE1-CG 3.35Å; E98-R640 IonicContact OE1-CZ 2.91Å; E98-R640 IonicContact OE1-NE 3.55Å; E98-R640 IonicContact OE1-NH1 3.41Å; E98-R640 PolarHBondContact OE1-NH1 3.31Å; E98-R640 IonicContact OE2-CZ 3.75Å; E98-R640 IonicContact OE2-NH1 3.68Å; E98-R640 PolarHBondContact OE2-NH1 2.88Å; E98-R640 IonicContact OE2-NH2 2.9Å
99	E	89.3	Confident	93.7	Very high	59 Å²	59	21.8 Å²	21.8	28%	0.276	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-26	-168.1	-68.2	-73.7	154	0	0	114.3	D95 G312	D95-E99 PolarHBondContact O-N 3.2Å; D95-E99 WeakPolarHBondContact OD1-CB 3.36Å; E99-G312 WeakPolarHBondContact OE1-CA 3.12Å; E99-G312 PolarHBondContact OE1-N 2.93Å
100	R	92.2	Very high	93.3	Very high	15 Å²	15	23.4 Å²	23.4	6%	0.057	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	8.4	171.8	-54.5	-58.9	97.5	-146.4	-4.5	112.2	D95 E98 G102 R108 Y135 Y162 T172 S177	D95-R100 PolarHBondContact O-N 3.02Å; D95-R100 VanDerWaalsContact OD2-CG 3.31Å; D95-R100 WeakPolarHBondContact OD2-CG 3.47Å; D95-R100 IonicContact OD2-NE 2.87Å; D95-R100 PolarHBondContact OD2-NE 2.91Å; E98-R100 VanDerWaalsContact C-N 3.31Å; E98-R100 PolarHBondContact O-N 2.65Å; R100-G102 PolarHBondContact O-N 2.93Å; R100-R108 PolarHBondContact O-NH1 2.94Å; R100-Y135 WeakPolarHBondContact O-CE1 3.4Å; R100-Y135 PolarHBondContact O-OH 3.02Å; R100-Y162 HydrophobicContact CG-CE2 4.31Å; R100-T172 PolarHBondContact NH1-O 3.16Å; R100-S177 PolarHBondContact NH1-OG 3.33Å; R100-S177 VanDerWaalsContact NH1-OG 3.11Å; R100-S177 PolarHBondContact NH2-OG 3.15Å
101	G	90.9	Very high	92.9	Very high	6 Å²	6	25.2 Å²	25.2	6%	0.062	13%	0.127	C	C	.	.			trans	70.9	25.4	169.8	0	0	0	0	0	114.8	E98 G103 Q104 L105	E98-G101 WeakPolarHBondContact O-CA 3.29Å; E98-G101 PolarHBondContact O-N 3.34Å; G101-G103 VanDerWaalsContact C-N 3.35Å; G101-Q104 CarbonylContact O-C 3.54Å; G101-Q104 PolarHBondContact O-N 3.41Å; G101-L105 PolarHBondContact O-N 2.88Å
102	G	93.6	Very high	92.3	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.159	C	C	.	.	S	Bend	trans	-65	-37	175.9	0	0	0	0	0	112.9	I96 A97 R100 Q104 L105 F647	I96-G102 WeakPolarHBondContact O-CA 3.33Å; I96-G102 PolarHBondContact O-N 3.32Å; A97-G102 PolarHBondContact O-N 3.37Å; R100-G102 PolarHBondContact O-N 2.93Å; G102-Q104 PolarHBondContact O-N 3.4Å; G102-L105 PolarHBondContact O-N 2.81Å; G102-F647 WeakPolarHBondContact O-CD2 3.14Å
103	G	93.1	Very high	91.9	Very high	4 Å²	4	30.5 Å²	30.5	4%	0.041	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-13.7	175.6	0	0	0	0	0	114.1	A97 G101 H650	A97-G103 PolarHBondContact O-N 2.96Å; G101-G103 VanDerWaalsContact C-N 3.35Å; G103-H650 PolarHBondContact O-NE2 2.96Å
104	Q	91.9	Very high	91.7	Very high	112 Å²	112	30.5 Å²	30.5	52%	0.523	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.3	29.4	179	-63.1	175.5	-6.5	0	0	110.7	G101 G102 D106 V107 R108	G101-Q104 CarbonylContact O-C 3.54Å; G101-Q104 PolarHBondContact O-N 3.41Å; G102-Q104 PolarHBondContact O-N 3.4Å; Q104-D106 PolarHBondContact O-N 3.01Å; Q104-V107 PolarHBondContact O-N 2.93Å; Q104-R108 WeakPolarHBondContact O-CG 3.31Å; Q104-R108 PolarHBondContact O-N 3.19Å; Q104-R108 VanDerWaalsContact O-N 3.12Å
105	L	92.4	Very high	91.6	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-59.4	-33.8	-174.7	-167.7	74.4	0	0	0	111.5	G101 G102 F109 Y128 Y135 H650	G101-L105 PolarHBondContact O-N 2.88Å; G102-L105 PolarHBondContact O-N 2.81Å; L105-F109 HydrophobicContact CD1-CD2 3.63Å; L105-F109 HydrophobicContact CD1-CE2 3.97Å; L105-F109 HydrophobicContact CG-CD2 4.25Å; L105-F109 PolarHBondContact O-N 3.26Å; L105-Y128 HydrophobicContact CB-CE2 4.26Å; L105-Y128 HydrophobicContact CD2-CE2 4Å; L105-Y128 HydrophobicContact CG-CE2 3.88Å; L105-Y128 WeakPolarHBondContact O-CE2 3.23Å; L105-Y135 HydrophobicContact CD1-CD1 4.39Å; L105-Y135 HydrophobicContact CD1-CD2 3.35Å; L105-Y135 HydrophobicContact CD1-CE1 4.32Å; L105-Y135 HydrophobicContact CD1-CE2 3.24Å; L105-Y135 HydrophobicContact CD1-CG 3.94Å; L105-H650 HydrophobicContact CB-CB 4.18Å; L105-H650 HydrophobicContact CD2-CB 4.07Å
106	D	90.7	Very high	91.6	Very high	32 Å²	32	29.4 Å²	29.4	17%	0.171	15%	0.154	C	C	.	.	H	α-helix	trans	-65.9	-51.4	178.2	60.4	-23.4	0	0	0	112.3	Q104 R108 F109 Q110 Y128 H650 A667	Q104-D106 PolarHBondContact O-N 3.01Å; D106-R108 PolarHBondContact O-N 2.85Å; D106-F109 PolarHBondContact O-N 3.35Å; D106-Q110 HydrophobicContact CB-CB 4.35Å; D106-Q110 WeakPolarHBondContact O-CA 3.25Å; D106-Q110 WeakPolarHBondContact O-CB 3.2Å; D106-Q110 PolarHBondContact O-N 3.27Å; D106-Y128 HydrophobicContact CB-CE2 4.31Å; D106-H650 IonicContact OD1-CE1 3.81Å; D106-H650 IonicContact OD1-NE2 3.38Å; D106-H650 IonicContact OD2-CE1 3.51Å; D106-H650 PolarHBondContact OD2-CE1 3.23Å; D106-A667 HydrophobicContact CB-CB 4.04Å; D106-A667 WeakPolarHBondContact OD2-CB 3.44Å
107	V	88.9	Confident	91.5	Very high	55 Å²	55	29.3 Å²	29.3	33%	0.333	15%	0.154	S	C	.	.	H	α-helix	trans	-58.4	-41.5	176.9	-179.7	0	0	0	0	110.4	Q104	Q104-V107 PolarHBondContact O-N 2.93Å
108	R	89.8	Confident	91.5	Very high	7 Å²	7	30 Å²	30	3%	0.026	16%	0.158	C	C	.	.	H	α-helix	trans	-75.5	-36.6	-174.8	-67	-173.9	70.5	-163.9	-0.5	114.3	R100 Q104 D106 H114 H116 Y135 D169	R100-R108 PolarHBondContact O-NH1 2.94Å; Q104-R108 WeakPolarHBondContact O-CG 3.31Å; Q104-R108 PolarHBondContact O-N 3.19Å; Q104-R108 VanDerWaalsContact O-N 3.12Å; D106-R108 PolarHBondContact O-N 2.85Å; R108-H114 PolarHBondContact O-ND1 2.91Å; R108-H116 PolarHBondContact O-CE1 3.29Å; R108-H116 PolarHBondContact O-NE2 3.12Å; R108-Y135 PolarHBondContact NH1-OH 2.82Å; R108-D169 IonicContact CZ-OD2 3.56Å; R108-D169 IonicContact NE-OD2 3.47Å; R108-D169 IonicContact NH2-OD2 3.73Å; R108-D169 PolarHBondContact NH2-OD2 3.26Å
109	F	92.4	Very high	91.6	Very high	13 Å²	13	29.8 Å²	29.8	6%	0.057	16%	0.158	C	C	.	.	H	α-helix	trans	-132.3	-6.1	-167.9	-58.8	-69.8	0	0	0	115	L105 D106 H116 A125 Y128 M131 Y135 L168	L105-F109 HydrophobicContact CD1-CD2 3.63Å; L105-F109 HydrophobicContact CD1-CE2 3.97Å; L105-F109 HydrophobicContact CG-CD2 4.25Å; L105-F109 PolarHBondContact O-N 3.26Å; D106-F109 PolarHBondContact O-N 3.35Å; F109-H116 AromaticContact CD1-CE1 3.64Å; F109-H116 AromaticContact CD1-NE2 3.7Å; F109-H116 AromaticContact CE1-CE1 3.53Å; F109-H116 AromaticContact CE1-NE2 3.98Å; F109-A125 HydrophobicContact CD1-CB 3.87Å; F109-A125 HydrophobicContact CE1-CB 4.14Å; F109-Y128 HydrophobicContact CB-CD2 4.12Å; F109-M131 HydrophobicContact CB-CB 4.41Å; F109-M131 HydrophobicContact CB-CG 4.26Å; F109-M131 HydrophobicContact CD1-CE 4.13Å; F109-M131 HydrophobicContact CD1-CG 4.19Å; F109-M131 HydrophobicContact CD2-CB 4.44Å; F109-M131 HydrophobicContact CD2-CE 4.12Å; F109-M131 HydrophobicContact CE1-CE 3.78Å; F109-M131 HydrophobicContact CE2-CE 3.76Å; F109-M131 HydrophobicContact CG-CB 4.35Å; F109-M131 HydrophobicContact CG-CE 4.29Å; F109-M131 HydrophobicContact CG-CG 4.07Å; F109-M131 HydrophobicContact CZ-CE 3.59Å; F109-Y135 AromaticContact CE2-CE2 3.95Å; F109-Y135 HydrophobicContact CE2-CE2 3.95Å; F109-L168 HydrophobicContact CE1-CD2 3.97Å
110	Q	91.1	Very high	91.6	Very high	35 Å²	35	32.7 Å²	32.7	16%	0.164	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-36.1	-178.9	-166.9	175.9	24.6	0	0	112.9	D106 P112 Y128 P665	D106-Q110 HydrophobicContact CB-CB 4.35Å; D106-Q110 WeakPolarHBondContact O-CA 3.25Å; D106-Q110 WeakPolarHBondContact O-CB 3.2Å; D106-Q110 PolarHBondContact O-N 3.27Å; Q110-P112 VanDerWaalsContact O-CD 3.27Å; Q110-P112 WeakPolarHBondContact O-CD 3.28Å; Q110-Y128 HydrophobicContact CB-CD2 3.9Å; Q110-Y128 HydrophobicContact CB-CE2 4.22Å; Q110-Y128 HydrophobicContact CB-CG 4.16Å; Q110-Y128 HydrophobicContact CG-CD1 4.45Å; Q110-Y128 HydrophobicContact CG-CD2 4.49Å; Q110-Y128 HydrophobicContact CG-CG 4.31Å; Q110-P665 PolarHBondContact NE2-O 3.18Å
111	E	88.5	Confident	91.3	Very high	69 Å²	69	37.7 Å²	37.7	32%	0.322	20%	0.197	S	C	.	.	S	Bend	trans	-76.3	115.3	177.9	177.4	63.2	-134.7	0	0	110	L113 H114 K457	E111-L113 HydrophobicContact CG-CB 4.49Å; E111-L113 PolarHBondContact O-N 3.06Å; E111-H114 HydrophobicContact CB-CB 4.25Å; E111-H114 HydrophobicContact CG-CB 4.45Å; E111-H114 VanDerWaalsContact O-CB 3.27Å; E111-H114 WeakPolarHBondContact O-CB 3.22Å; E111-H114 PolarHBondContact O-N 3.36Å; E111-H114 VanDerWaalsContact O-N 3.09Å; E111-K457 IonicContact OE1-NZ 3.89Å; E111-K457 PolarHBondContact OE1-NZ 3Å
112	P	85.8	Confident	91	Very high	114 Å²	114	41 Å²	41	74%	0.74	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-27.9	-175.9	-23.1	35.1	0	0	0	113.8	Q110 H114	Q110-P112 VanDerWaalsContact O-CD 3.27Å; Q110-P112 WeakPolarHBondContact O-CD 3.28Å; P112-H114 VanDerWaalsContact C-N 3.27Å; P112-H114 PolarHBondContact O-N 2.95Å
113	L	89.7	Confident	90.9	Very high	6 Å²	6	43.2 Å²	43.2	3%	0.031	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	5.7	179.2	-62.8	-151.3	0	0	0	113.8	E111 C115 F430 N453 K457	E111-L113 HydrophobicContact CG-CB 4.49Å; E111-L113 PolarHBondContact O-N 3.06Å; L113-C115 PolarHBondContact O-N 2.89Å; L113-F430 HydrophobicContact CB-CD1 4.21Å; L113-F430 HydrophobicContact CD1-CD1 4.5Å; L113-F430 HydrophobicContact CD1-CE1 4.02Å; L113-N453 HydrophobicContact CD1-CB 4.13Å; L113-N453 PolarHBondContact O-ND2 3.34Å; L113-K457 HydrophobicContact CD1-CD 3.25Å; L113-K457 HydrophobicContact CD1-CG 3.74Å; L113-K457 HydrophobicContact CG-CD 4.35Å
114	H	92.4	Very high	90.9	Very high	11 Å²	11	51.5 Å²	51.5	5%	0.051	27%	0.272	C	S	.	.			trans	-66.6	127.2	178.8	-178.6	-100.1	0	0	0	110.7	R108 E111 P112 H116 F430 T431 E432 Y433	R108-H114 PolarHBondContact O-ND1 2.91Å; E111-H114 HydrophobicContact CB-CB 4.25Å; E111-H114 HydrophobicContact CG-CB 4.45Å; E111-H114 VanDerWaalsContact O-CB 3.27Å; E111-H114 WeakPolarHBondContact O-CB 3.22Å; E111-H114 PolarHBondContact O-N 3.36Å; E111-H114 VanDerWaalsContact O-N 3.09Å; P112-H114 VanDerWaalsContact C-N 3.27Å; P112-H114 PolarHBondContact O-N 2.95Å; H114-H116 AromaticContact CE1-CE1 3.66Å; H114-H116 AromaticContact CE1-ND1 3.8Å; H114-H116 AromaticContact ND1-CD2 3.83Å; H114-H116 AromaticContact ND1-CE1 3.15Å; H114-H116 PolarHBondContact ND1-CE1 3.38Å; H114-H116 AromaticContact ND1-ND1 3.59Å; H114-H116 AromaticContact ND1-NE2 3.32Å; H114-H116 PolarHBondContact ND1-NE2 3.34Å; H114-H116 PolarHBondContact O-N 3.5Å; H114-F430 WeakPolarHBondContact CA-O 3.34Å; H114-F430 PolarHBondContact CD2-O 3.18Å; H114-T431 PolarHBondContact NE2-OG1 3.44Å; H114-E432 IonicContact CD2-OE2 2.79Å; H114-E432 PolarHBondContact CD2-OE2 3.05Å; H114-E432 IonicContact NE2-OE1 2.55Å; H114-E432 IonicContact NE2-OE2 2.64Å; H114-E432 PolarHBondContact NE2-OE2 3.4Å; H114-Y433 AromaticContact CE1-CE2 3.67Å
115	C	94.1	Very high	91	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.26	C	S	.	.			trans	-81.2	114.6	-179.1	-65.5	0	0	0	0	111	L113 F117 F430 Y446 C449	L113-C115 PolarHBondContact O-N 2.89Å; C115-F117 VanDerWaalsContact O-CE2 3.26Å; C115-F117 WeakPolarHBondContact O-CE2 3.35Å; C115-F430 HydrophobicContact CB-CB 4.48Å; C115-F430 PolarHBondContact N-O 3.02Å; C115-F430 WeakPolarHBondContact SG-CB 3.43Å; C115-Y446 HydrophobicContact CB-CD2 3.84Å; C115-Y446 HydrophobicContact CB-CE2 3.87Å; C115-C449 WeakPolarHBondContact CA-SG 3.35Å; C115-C449 HydrophobicContact CB-CB 3.78Å; C115-C449 WeakPolarHBondContact CB-SG 3.42Å; C115-C449 WeakPolarHBondContact SG-CB 3.47Å; C115-C449 CovalentContact SG-SG 2.02Å; C115-C449 PolarHBondContact SG-SG 3.49Å
116	H	94.2	Very high	91.1	Very high	40 Å²	40	51.3 Å²	51.3	19%	0.185	28%	0.279	C	S	.	.			trans	-97.4	155	172.1	-68.1	-70.6	0	0	0	112.2	R108 F109 H114 P118 D169	R108-H116 PolarHBondContact O-CE1 3.29Å; R108-H116 PolarHBondContact O-NE2 3.12Å; F109-H116 AromaticContact CD1-CE1 3.64Å; F109-H116 AromaticContact CD1-NE2 3.7Å; F109-H116 AromaticContact CE1-CE1 3.53Å; F109-H116 AromaticContact CE1-NE2 3.98Å; H114-H116 AromaticContact CE1-CE1 3.66Å; H114-H116 AromaticContact CE1-ND1 3.8Å; H114-H116 AromaticContact ND1-CD2 3.83Å; H114-H116 AromaticContact ND1-CE1 3.15Å; H114-H116 PolarHBondContact ND1-CE1 3.38Å; H114-H116 AromaticContact ND1-ND1 3.59Å; H114-H116 AromaticContact ND1-NE2 3.32Å; H114-H116 PolarHBondContact ND1-NE2 3.34Å; H114-H116 PolarHBondContact O-N 3.5Å; H116-P118 VanDerWaalsContact O-CD 3.26Å; H116-P118 WeakPolarHBondContact O-CD 3.46Å; H116-D169 IonicContact ND1-OD1 2.63Å; H116-D169 IonicContact ND1-OD2 3.75Å
117	F	94.9	Very high	91.2	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	30%	0.302	C	S	.	.			trans	-123	78.4	-172.7	-62.2	-89.3	0	0	0	110.4	C115 L168 K170 P171 T431 Y433 W436 M442 Q445 Y446	C115-F117 VanDerWaalsContact O-CE2 3.26Å; C115-F117 WeakPolarHBondContact O-CE2 3.35Å; F117-L168 CarbonylContact C-O 3.53Å; F117-K170 WeakPolarHBondContact O-CE 3.47Å; F117-K170 WeakPolarHBondContact O-CG 3.34Å; F117-K170 PolarHBondContact O-N 3.37Å; F117-P171 HydrophobicContact CB-CG 3.91Å; F117-P171 HydrophobicContact CD2-CG 3.46Å; F117-P171 VanDerWaalsContact CD2-CG 3.46Å; F117-P171 HydrophobicContact CE2-CG 4.16Å; F117-P171 HydrophobicContact CG-CG 3.81Å; F117-T431 HydrophobicContact CE2-CG2 4.25Å; F117-T431 HydrophobicContact CZ-CG2 4.22Å; F117-Y433 HydrophobicContact CD2-CD2 4Å; F117-Y433 AromaticContact CE2-CD2 3.96Å; F117-Y433 HydrophobicContact CE2-CD2 3.96Å; F117-W436 HydrophobicContact CE1-CB 3.69Å; F117-W436 HydrophobicContact CE1-CG 4.39Å; F117-W436 HydrophobicContact CZ-CB 3.83Å; F117-W436 HydrophobicContact CZ-CG 4.11Å; F117-M442 HydrophobicContact CB-CG 4.13Å; F117-M442 HydrophobicContact CB-SD 4.15Å; F117-M442 HydrophobicContact CD1-CB 3.67Å; F117-M442 HydrophobicContact CD1-CG 3.77Å; F117-M442 HydrophobicContact CD1-SD 4.32Å; F117-M442 HydrophobicContact CE1-CB 4.03Å; F117-M442 WeakPolarHBondContact CE1-O 3.27Å; F117-M442 HydrophobicContact CG-CG 4.23Å; F117-M442 HydrophobicContact CG-SD 4.3Å; F117-Q445 VanDerWaalsContact CA-OE1 3.29Å; F117-Q445 HydrophobicContact CD1-CB 4.03Å; F117-Q445 HydrophobicContact CE1-CB 4.46Å; F117-Y446 HydrophobicContact CE1-CD2 4.41Å; F117-Y446 HydrophobicContact CE1-CG 4.4Å; F117-Y446 AromaticContact CZ-CD2 3.91Å; F117-Y446 HydrophobicContact CZ-CD2 3.91Å; F117-Y446 HydrophobicContact CZ-CG 4.2Å
118	P	94.9	Very high	91.5	Very high	17 Å²	17	53.8 Å²	53.8	11%	0.11	29%	0.289	C	S	.	.			trans	-73.6	150.9	-177.7	30	-35.8	0	0	0	112.2	H116 M123 L167 L168 K170 Q445	H116-P118 VanDerWaalsContact O-CD 3.26Å; H116-P118 WeakPolarHBondContact O-CD 3.46Å; P118-M123 HydrophobicContact CB-CB 3.75Å; P118-L167 WeakPolarHBondContact CA-O 3.49Å; P118-L168 WeakPolarHBondContact CA-O 3.49Å; P118-K170 WeakPolarHBondContact O-CE 3.28Å; P118-K170 PolarHBondContact O-NZ 2.92Å; P118-K170 VanDerWaalsContact O-NZ 3.08Å; P118-Q445 PolarHBondContact O-NE2 3.45Å
119	L	92.8	Very high	91.7	Very high	30 Å²	30	54.2 Å²	54.2	16%	0.157	29%	0.293	C	S	.	.	S	Bend	trans	-69.6	-39.3	173.3	-173.8	65.2	0	0	0	112	L167 K170 W173 Y386 L393	L119-L167 HydrophobicContact CB-CD2 4.3Å; L119-L167 HydrophobicContact CD2-CD2 3.63Å; L119-L167 PolarHBondContact N-O 2.81Å; L119-K170 HydrophobicContact CB-CD 4.39Å; L119-K170 HydrophobicContact CB-CG 4.49Å; L119-K170 HydrophobicContact CD1-CD 4.01Å; L119-W173 HydrophobicContact CB-CH2 3.86Å; L119-W173 HydrophobicContact CD1-CH2 4.37Å; L119-W173 HydrophobicContact CD2-CH2 4.06Å; L119-W173 HydrophobicContact CG-CH2 4.31Å; L119-Y386 HydrophobicContact CD1-CE1 4.44Å; L119-L393 HydrophobicContact CD1-CD1 4.38Å; L119-L393 HydrophobicContact CD1-CD2 3.56Å
120	F	90.3	Very high	91.9	Very high	121 Å²	121	57.1 Å²	57.1	53%	0.531	31%	0.308	S	S	.	.	S	Bend	trans	-107.1	129.6	178.2	-58	-65.4	0	0	0	110.3	G122 M123 L167	F120-G122 PolarHBondContact O-N 3.29Å; F120-M123 HydrophobicContact CB-CG 4.4Å; F120-M123 HydrophobicContact CB-SD 4.22Å; F120-M123 HydrophobicContact CD2-SD 4.08Å; F120-M123 PolarHBondContact O-N 2.92Å; F120-L167 HydrophobicContact CE2-CD1 4.17Å; F120-L167 HydrophobicContact CE2-CD2 3.94Å
121	N	84.3	Confident	92.2	Very high	119 Å²	119	55.4 Å²	55.4	64%	0.636	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	134.1	176.6	-65.9	-27.6	0	0	0	110.4
122	G	84.5	Confident	92.6	Very high	75 Å²	75	52.2 Å²	52.2	77%	0.773	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	96	-8.9	178.7	0	0	0	0	0	115.1	F120	F120-G122 PolarHBondContact O-N 3.29Å
123	M	93.1	Very high	93.1	Very high	47 Å²	47	49 Å²	49	23%	0.232	27%	0.266	C	S	.	.			trans	-70.2	133.4	165	-71.6	-175.3	54.8	0	0	110	P118 F120 Y164 L167 L168	P118-M123 HydrophobicContact CB-CB 3.75Å; F120-M123 HydrophobicContact CB-CG 4.4Å; F120-M123 HydrophobicContact CB-SD 4.22Å; F120-M123 HydrophobicContact CD2-SD 4.08Å; F120-M123 PolarHBondContact O-N 2.92Å; M123-Y164 HydrophobicContact CE-CD2 4.13Å; M123-Y164 HydrophobicContact CE-CE2 4.26Å; M123-L167 HydrophobicContact CE-CB 3.8Å; M123-L167 HydrophobicContact SD-CB 4Å; M123-L168 HydrophobicContact CB-CD1 4.4Å; M123-L168 HydrophobicContact CE-CB 3.96Å; M123-L168 HydrophobicContact CE-CD1 4.46Å
124	R	91.9	Very high	93.5	Very high	179 Å²	179	49.8 Å²	49.8	68%	0.675	27%	0.271	S	S	*	.			trans	-132.9	151.8	175.7	-68.8	-174.1	172.3	-166.7	-8.2	109.3	Y164 L168 E452	R124-Y164 PolarHBondContact O-OH 2.96Å; R124-Y164 VanDerWaalsContact O-OH 3.13Å; R124-L168 VanDerWaalsContact C-CD1 3.47Å; R124-E452 IonicContact NH2-OE2 3.76Å
125	A	93.6	Very high	93.8	Very high	31 Å²	31	49.3 Å²	49.3	26%	0.256	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-62.8	148.7	172.1	0	0	0	0	0	109.4	F109 L168	F109-A125 HydrophobicContact CD1-CB 3.87Å; F109-A125 HydrophobicContact CE1-CB 4.14Å; A125-L168 HydrophobicContact CB-CD2 3.98Å
126	L	94.4	Very high	94	Very high	77 Å²	77	51.1 Å²	51.1	40%	0.403	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-76.5	161.5	166.7	-62.3	172.6	0	0	0	108.2	L130 M131 V134 Y164	L126-L130 HydrophobicContact CB-CB 3.86Å; L126-L130 HydrophobicContact CB-CD1 4.48Å; L126-L130 HydrophobicContact CD1-CB 4.19Å; L126-M131 HydrophobicContact CB-CG 4.1Å; L126-M131 HydrophobicContact CB-SD 3.93Å; L126-M131 HydrophobicContact CG-SD 4.44Å; L126-M131 WeakPolarHBondContact O-CG 3.5Å; L126-V134 HydrophobicContact CD1-CG2 3.9Å; L126-Y164 PolarHBondContact N-OH 3.43Å
127	D	93.5	Very high	94.2	Very high	123 Å²	123	51.8 Å²	51.8	66%	0.658	29%	0.287	S	S	*	.	P	Polyproline II helix	trans	-54.7	146.6	172.6	-59.3	-26.9	0	0	0	110.6	P129 L130 M131	D127-P129 VanDerWaalsContact C-CD 3.42Å; D127-P129 VanDerWaalsContact C-N 3.34Å; D127-P129 VanDerWaalsContact O-N 3.11Å; D127-L130 WeakPolarHBondContact O-CA 3.27Å; D127-L130 WeakPolarHBondContact O-CB 3.28Å; D127-L130 PolarHBondContact O-N 2.99Å; D127-M131 PolarHBondContact O-N 2.94Å
128	Y	94.4	Very high	94.4	Very high	16 Å²	16	51.9 Å²	51.9	6%	0.063	29%	0.287	C	S	.	.	H	α-helix	trans	-44.6	-47	-174.2	175.8	-103.1	0	0	0	114.9	L105 D106 F109 Q110 L130 M131 G132 H650 C654 I664	L105-Y128 HydrophobicContact CB-CE2 4.26Å; L105-Y128 HydrophobicContact CD2-CE2 4Å; L105-Y128 HydrophobicContact CG-CE2 3.88Å; L105-Y128 WeakPolarHBondContact O-CE2 3.23Å; D106-Y128 HydrophobicContact CB-CE2 4.31Å; F109-Y128 HydrophobicContact CB-CD2 4.12Å; Q110-Y128 HydrophobicContact CB-CD2 3.9Å; Q110-Y128 HydrophobicContact CB-CE2 4.22Å; Q110-Y128 HydrophobicContact CB-CG 4.16Å; Q110-Y128 HydrophobicContact CG-CD1 4.45Å; Q110-Y128 HydrophobicContact CG-CD2 4.49Å; Q110-Y128 HydrophobicContact CG-CG 4.31Å; Y128-L130 VanDerWaalsContact C-N 3.32Å; Y128-L130 PolarHBondContact O-N 2.99Å; Y128-M131 WeakPolarHBondContact O-CB 3.43Å; Y128-M131 PolarHBondContact O-N 2.89Å; Y128-G132 PolarHBondContact O-N 2.84Å; Y128-H650 PolarHBondContact OH-ND1 2.72Å; Y128-C654 VanDerWaalsContact CE1-SG 3.58Å; Y128-I664 HydrophobicContact CD1-CD1 3.71Å; Y128-I664 HydrophobicContact CD1-CG2 4.15Å; Y128-I664 HydrophobicContact CE1-CD1 3.81Å; Y128-I664 HydrophobicContact CE1-CG2 3.57Å
129	P	95.4	Very high	94.5	Very high	15 Å²	15	53.2 Å²	53.2	10%	0.097	29%	0.29	C	S	.	.	H	α-helix	trans	-62	-37.3	178.5	-20.2	32.3	0	0	0	113.6	D127 G132 C133 C654 Y657 L658 I664	D127-P129 VanDerWaalsContact C-CD 3.42Å; D127-P129 VanDerWaalsContact C-N 3.34Å; D127-P129 VanDerWaalsContact O-N 3.11Å; P129-G132 PolarHBondContact O-N 2.72Å; P129-C133 PolarHBondContact O-N 3.38Å; P129-C654 HydrophobicContact CB-CB 4.49Å; P129-Y657 HydrophobicContact CB-CD1 3.75Å; P129-Y657 HydrophobicContact CB-CE1 4.26Å; P129-Y657 HydrophobicContact CG-CD1 3.47Å; P129-Y657 VanDerWaalsContact CG-CD1 3.47Å; P129-Y657 HydrophobicContact CG-CE1 3.63Å; P129-Y657 HydrophobicContact CG-CG 4.31Å; P129-L658 HydrophobicContact CB-CD1 4.12Å; P129-L658 HydrophobicContact CB-CD2 3.91Å; P129-L658 HydrophobicContact CB-CG 3.82Å; P129-I664 HydrophobicContact CB-CD1 4.48Å; P129-I664 HydrophobicContact CG-CD1 3.88Å
130	L	96.4	Very high	94.8	Very high	74 Å²	74	56.3 Å²	56.3	39%	0.387	31%	0.306	S	S	.	.	H	α-helix	trans	-73	-34.5	177.7	-66.6	178.2	0	0	0	111.6	L126 D127 Y128 G132 C133 V134 L658	L126-L130 HydrophobicContact CB-CB 3.86Å; L126-L130 HydrophobicContact CB-CD1 4.48Å; L126-L130 HydrophobicContact CD1-CB 4.19Å; D127-L130 WeakPolarHBondContact O-CA 3.27Å; D127-L130 WeakPolarHBondContact O-CB 3.28Å; D127-L130 PolarHBondContact O-N 2.99Å; Y128-L130 VanDerWaalsContact C-N 3.32Å; Y128-L130 PolarHBondContact O-N 2.99Å; L130-G132 PolarHBondContact O-N 3.09Å; L130-C133 WeakPolarHBondContact O-CA 3.08Å; L130-C133 WeakPolarHBondContact O-CB 3.39Å; L130-C133 PolarHBondContact O-N 3.32Å; L130-V134 WeakPolarHBondContact O-CG2 3.48Å; L130-V134 PolarHBondContact O-N 3.28Å; L130-L658 HydrophobicContact CD2-CD2 4.45Å
131	M	96.3	Very high	95.2	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-59.9	-37.4	169.3	-71.4	-58.5	-58.6	0	0	111.2	F109 L126 D127 Y128 C133 V134 Y135 Y164 I165	F109-M131 HydrophobicContact CB-CB 4.41Å; F109-M131 HydrophobicContact CB-CG 4.26Å; F109-M131 HydrophobicContact CD1-CE 4.13Å; F109-M131 HydrophobicContact CD1-CG 4.19Å; F109-M131 HydrophobicContact CD2-CB 4.44Å; F109-M131 HydrophobicContact CD2-CE 4.12Å; F109-M131 HydrophobicContact CE1-CE 3.78Å; F109-M131 HydrophobicContact CE2-CE 3.76Å; F109-M131 HydrophobicContact CG-CB 4.35Å; F109-M131 HydrophobicContact CG-CE 4.29Å; F109-M131 HydrophobicContact CG-CG 4.07Å; F109-M131 HydrophobicContact CZ-CE 3.59Å; L126-M131 HydrophobicContact CB-CG 4.1Å; L126-M131 HydrophobicContact CB-SD 3.93Å; L126-M131 HydrophobicContact CG-SD 4.44Å; L126-M131 WeakPolarHBondContact O-CG 3.5Å; D127-M131 PolarHBondContact O-N 2.94Å; Y128-M131 WeakPolarHBondContact O-CB 3.43Å; Y128-M131 PolarHBondContact O-N 2.89Å; M131-C133 VanDerWaalsContact C-N 3.32Å; M131-C133 PolarHBondContact O-N 3.4Å; M131-V134 WeakPolarHBondContact O-CB 3.24Å; M131-V134 PolarHBondContact O-N 3.25Å; M131-V134 VanDerWaalsContact O-N 3.13Å; M131-Y135 HydrophobicContact CE-CD2 4.47Å; M131-Y135 HydrophobicContact CE-CE2 4.08Å; M131-Y135 WeakPolarHBondContact O-CD2 3.45Å; M131-Y135 PolarHBondContact O-N 2.77Å; M131-Y164 HydrophobicContact CE-CE1 4.23Å; M131-Y164 HydrophobicContact SD-CE1 3.89Å; M131-I165 HydrophobicContact CE-CG1 4.23Å
132	G	96.8	Very high	95.9	Very high	2 Å²	2	45 Å²	45	2%	0.021	25%	0.251	C	S	.	.	H	α-helix	trans	-54	-45	168.4	0	0	0	0	0	113	Y128 P129 L130 V134 Y135 L136 I651	Y128-G132 PolarHBondContact O-N 2.84Å; P129-G132 PolarHBondContact O-N 2.72Å; L130-G132 PolarHBondContact O-N 3.09Å; G132-V134 PolarHBondContact O-N 3.47Å; G132-Y135 PolarHBondContact O-N 3.38Å; G132-L136 WeakPolarHBondContact O-CB 3.1Å; G132-L136 PolarHBondContact O-N 3.28Å; G132-I651 WeakPolarHBondContact O-CD1 3.46Å
133	C	97.8	Very high	96.5	Very high	46 Å²	46	45.9 Å²	45.9	31%	0.311	23%	0.231	S	C	.	.	H	α-helix	trans	-65.1	-38.2	175.1	-65	0	0	0	0	113.4	P129 L130 M131 L136 C137 L658	P129-C133 PolarHBondContact O-N 3.38Å; L130-C133 WeakPolarHBondContact O-CA 3.08Å; L130-C133 WeakPolarHBondContact O-CB 3.39Å; L130-C133 PolarHBondContact O-N 3.32Å; M131-C133 VanDerWaalsContact C-N 3.32Å; M131-C133 PolarHBondContact O-N 3.4Å; C133-L136 PolarHBondContact O-N 3.49Å; C133-C137 WeakPolarHBondContact O-CB 3.39Å; C133-C137 PolarHBondContact O-N 2.68Å; C133-L658 WeakPolarHBondContact SG-CD1 3.43Å
134	V	98	Very high	96.8	Very high	23 Å²	23	43.9 Å²	43.9	14%	0.139	22%	0.223	C	C	.	.	H	α-helix	trans	-59.7	-48.1	175.7	172.5	0	0	0	0	110.3	L126 L130 M131 G132 C137 M138 P161 Y164 I165	L126-V134 HydrophobicContact CD1-CG2 3.9Å; L130-V134 WeakPolarHBondContact O-CG2 3.48Å; L130-V134 PolarHBondContact O-N 3.28Å; M131-V134 WeakPolarHBondContact O-CB 3.24Å; M131-V134 PolarHBondContact O-N 3.25Å; M131-V134 VanDerWaalsContact O-N 3.13Å; G132-V134 PolarHBondContact O-N 3.47Å; V134-C137 PolarHBondContact O-N 3.41Å; V134-M138 PolarHBondContact O-N 2.68Å; V134-P161 HydrophobicContact CG1-CB 3.7Å; V134-P161 HydrophobicContact CG1-CG 4.36Å; V134-Y164 HydrophobicContact CG1-CD1 3.99Å; V134-Y164 HydrophobicContact CG1-CE1 4.36Å; V134-Y164 HydrophobicContact CG2-CE1 4.5Å; V134-I165 HydrophobicContact CG1-CD1 3.95Å; V134-I165 HydrophobicContact CG1-CG1 4.19Å
135	Y	97.9	Very high	97.1	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-66.5	-39.4	177.2	-88.9	-99.7	0	0	0	112.9	I96 R100 L105 R108 F109 M131 G132 C137 M138 W139 I165 F647	I96-Y135 HydrophobicContact CG2-CD1 4.11Å; R100-Y135 WeakPolarHBondContact O-CE1 3.4Å; R100-Y135 PolarHBondContact O-OH 3.02Å; L105-Y135 HydrophobicContact CD1-CD1 4.39Å; L105-Y135 HydrophobicContact CD1-CD2 3.35Å; L105-Y135 HydrophobicContact CD1-CE1 4.32Å; L105-Y135 HydrophobicContact CD1-CE2 3.24Å; L105-Y135 HydrophobicContact CD1-CG 3.94Å; R108-Y135 PolarHBondContact NH1-OH 2.82Å; F109-Y135 AromaticContact CE2-CE2 3.95Å; F109-Y135 HydrophobicContact CE2-CE2 3.95Å; M131-Y135 HydrophobicContact CE-CD2 4.47Å; M131-Y135 HydrophobicContact CE-CE2 4.08Å; M131-Y135 WeakPolarHBondContact O-CD2 3.45Å; M131-Y135 PolarHBondContact O-N 2.77Å; G132-Y135 PolarHBondContact O-N 3.38Å; Y135-C137 VanDerWaalsContact C-N 3.33Å; Y135-C137 PolarHBondContact O-N 3.44Å; Y135-M138 HydrophobicContact CD1-CE 3.64Å; Y135-M138 HydrophobicContact CE1-CE 3.81Å; Y135-M138 HydrophobicContact CG-CE 4.23Å; Y135-M138 WeakPolarHBondContact O-CB 3.49Å; Y135-M138 PolarHBondContact O-N 2.96Å; Y135-W139 VanDerWaalsContact O-CB 3.28Å; Y135-W139 WeakPolarHBondContact O-CB 3.36Å; Y135-W139 PolarHBondContact O-N 2.96Å; Y135-I165 HydrophobicContact CD2-CD1 3.87Å; Y135-I165 HydrophobicContact CE1-CD1 4.31Å; Y135-I165 HydrophobicContact CE2-CD1 3.45Å; Y135-I165 VanDerWaalsContact CE2-CD1 3.45Å; Y135-I165 HydrophobicContact CE2-CG1 4.22Å; Y135-I165 HydrophobicContact CG-CD1 4.46Å; Y135-F647 AromaticContact CD1-CE2 3.98Å; Y135-F647 HydrophobicContact CD1-CE2 3.98Å; Y135-F647 HydrophobicContact CG-CE2 4.4Å
136	L	98.3	Very high	97.3	Very high	39 Å²	39	35.2 Å²	35.2	20%	0.204	19%	0.185	C	C	.	.	H	α-helix	trans	-59.8	-44.9	174.4	176.4	61.5	0	0	0	111.3	G132 C133 M138 W139 L140 I651 L655	G132-L136 WeakPolarHBondContact O-CB 3.1Å; G132-L136 PolarHBondContact O-N 3.28Å; C133-L136 PolarHBondContact O-N 3.49Å; L136-M138 VanDerWaalsContact C-N 3.34Å; L136-M138 PolarHBondContact O-N 2.81Å; L136-W139 HydrophobicContact CD1-CE3 4.02Å; L136-W139 HydrophobicContact CD1-CZ3 4.43Å; L136-W139 PolarHBondContact O-N 3.32Å; L136-L140 HydrophobicContact CD1-CD1 4.02Å; L136-L140 HydrophobicContact CD1-CG 4.02Å; L136-L140 HydrophobicContact CG-CD1 4.09Å; L136-L140 HydrophobicContact CG-CG 4.46Å; L136-L140 WeakPolarHBondContact O-CB 3.46Å; L136-L140 VanDerWaalsContact O-CG 3.32Å; L136-L140 WeakPolarHBondContact O-CG 3.25Å; L136-L140 PolarHBondContact O-N 2.92Å; L136-I651 HydrophobicContact CB-CD1 4.24Å; L136-I651 HydrophobicContact CB-CG2 4.17Å; L136-I651 HydrophobicContact CD1-CG2 4.06Å; L136-I651 HydrophobicContact CD2-CG2 4.39Å; L136-I651 HydrophobicContact CG-CG2 4.43Å; L136-L655 HydrophobicContact CD2-CD1 4.03Å; L136-L655 HydrophobicContact CD2-CD2 4.06Å; L136-L655 HydrophobicContact CD2-CG 4.46Å
137	C	98.5	Very high	97.5	Very high	54 Å²	54	35.4 Å²	35.4	37%	0.365	19%	0.186	S	C	.	.	H	α-helix	trans	-60.3	-45.8	176.7	-173	0	0	0	0	111.2	C133 V134 Y135 W139 L140 G141 A157 P161	C133-C137 WeakPolarHBondContact O-CB 3.39Å; C133-C137 PolarHBondContact O-N 2.68Å; V134-C137 PolarHBondContact O-N 3.41Å; Y135-C137 VanDerWaalsContact C-N 3.33Å; Y135-C137 PolarHBondContact O-N 3.44Å; C137-W139 VanDerWaalsContact C-N 3.34Å; C137-W139 PolarHBondContact O-N 3.24Å; C137-L140 PolarHBondContact O-N 3.12Å; C137-G141 PolarHBondContact O-N 3.07Å; C137-A157 CarbonylContact C-O 3.45Å; C137-P161 HydrophobicContact CB-CG 4.08Å
138	M	98.5	Very high	97.7	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.005	16%	0.155	C	C	.	.	H	α-helix	trans	-58.6	-46.2	176.4	-166.2	170.5	50.4	0	0	111.8	I96 V134 Y135 L136 G141 A142 F158 P161 Y162 I165	I96-M138 HydrophobicContact CB-CE 4.38Å; I96-M138 HydrophobicContact CD1-CE 4.38Å; I96-M138 HydrophobicContact CD1-CG 3.9Å; I96-M138 HydrophobicContact CG1-CE 3.87Å; I96-M138 HydrophobicContact CG1-CG 4.29Å; I96-M138 HydrophobicContact CG1-SD 4.32Å; I96-M138 HydrophobicContact CG2-CE 3.8Å; V134-M138 PolarHBondContact O-N 2.68Å; Y135-M138 HydrophobicContact CD1-CE 3.64Å; Y135-M138 HydrophobicContact CE1-CE 3.81Å; Y135-M138 HydrophobicContact CG-CE 4.23Å; Y135-M138 WeakPolarHBondContact O-CB 3.49Å; Y135-M138 PolarHBondContact O-N 2.96Å; L136-M138 VanDerWaalsContact C-N 3.34Å; L136-M138 PolarHBondContact O-N 2.81Å; M138-G141 PolarHBondContact O-N 3.09Å; M138-A142 PolarHBondContact O-N 3.12Å; M138-F158 HydrophobicContact CG-CD2 3.83Å; M138-F158 HydrophobicContact CG-CE2 4.14Å; M138-P161 HydrophobicContact CB-CB 3.69Å; M138-P161 HydrophobicContact CB-CG 4.18Å; M138-P161 HydrophobicContact CG-CB 4.12Å; M138-P161 HydrophobicContact SD-CB 4.32Å; M138-Y162 HydrophobicContact SD-CD2 4.02Å; M138-I165 HydrophobicContact CE-CD1 3.8Å; M138-I165 HydrophobicContact SD-CD1 4.16Å
139	W	98.4	Very high	97.8	Very high	46 Å²	46	33 Å²	33	17%	0.174	17%	0.169	C	C	.	.	H	α-helix	trans	-66.2	-44.7	-178.3	-178.2	72.9	0	0	0	112.8	L93 Y135 L136 C137 G141 A142 W143 Y644 F647 L648	L93-W139 HydrophobicContact CD2-CG 4.41Å; Y135-W139 VanDerWaalsContact O-CB 3.28Å; Y135-W139 WeakPolarHBondContact O-CB 3.36Å; Y135-W139 PolarHBondContact O-N 2.96Å; L136-W139 HydrophobicContact CD1-CE3 4.02Å; L136-W139 HydrophobicContact CD1-CZ3 4.43Å; L136-W139 PolarHBondContact O-N 3.32Å; C137-W139 VanDerWaalsContact C-N 3.34Å; C137-W139 PolarHBondContact O-N 3.24Å; W139-G141 VanDerWaalsContact C-N 3.29Å; W139-G141 PolarHBondContact O-N 2.96Å; W139-A142 PolarHBondContact O-N 3.11Å; W139-W143 AromaticContact CD2-CD1 3.92Å; W139-W143 AromaticContact CE2-CD1 3.66Å; W139-W143 AromaticContact CE2-NE1 3.38Å; W139-W143 AromaticContact CH2-NE1 3.74Å; W139-W143 AromaticContact CZ2-CD1 3.8Å; W139-W143 AromaticContact CZ2-NE1 3.18Å; W139-W143 AromaticContact NE1-NE1 3.78Å; W139-W143 PolarHBondContact O-N 3.44Å; W139-Y644 AromaticContact NE1-CZ 3.64Å; W139-Y644 PolarHBondContact NE1-OH 2.69Å; W139-F647 HydrophobicContact CB-CE1 4.34Å; W139-F647 HydrophobicContact CB-CZ 4.03Å; W139-F647 AromaticContact CD1-CE1 3.63Å; W139-F647 HydrophobicContact CD2-CE1 4.32Å; W139-F647 AromaticContact CG-CE1 3.86Å; W139-F647 HydrophobicContact CG-CE1 3.86Å; W139-F647 HydrophobicContact CG-CZ 4.06Å; W139-F647 AromaticContact NE1-CE1 3.93Å; W139-L648 HydrophobicContact CH2-CD2 4.26Å; W139-L648 HydrophobicContact CZ2-CD2 4.13Å
140	L	98.5	Very high	97.8	Very high	95 Å²	95	39.8 Å²	39.8	50%	0.497	19%	0.192	S	C	.	.	H	α-helix	trans	-64.4	-36.3	173	-67.6	176.7	0	0	0	111.6	L136 C137 W143 G144	L136-L140 HydrophobicContact CD1-CD1 4.02Å; L136-L140 HydrophobicContact CD1-CG 4.02Å; L136-L140 HydrophobicContact CG-CD1 4.09Å; L136-L140 HydrophobicContact CG-CG 4.46Å; L136-L140 WeakPolarHBondContact O-CB 3.46Å; L136-L140 VanDerWaalsContact O-CG 3.32Å; L136-L140 WeakPolarHBondContact O-CG 3.25Å; L136-L140 PolarHBondContact O-N 2.92Å; C137-L140 PolarHBondContact O-N 3.12Å; L140-W143 PolarHBondContact O-N 3.11Å; L140-G144 PolarHBondContact O-N 2.94Å
141	G	98.6	Very high	97.8	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.01	17%	0.174	C	C	.	.	H	α-helix	trans	-58.6	-46.6	171.2	0	0	0	0	0	112.2	C137 M138 W139 G144 I145 S154	C137-G141 PolarHBondContact O-N 3.07Å; M138-G141 PolarHBondContact O-N 3.09Å; W139-G141 VanDerWaalsContact C-N 3.29Å; W139-G141 PolarHBondContact O-N 2.96Å; G141-G144 CarbonylContact O-C 3.6Å; G141-G144 PolarHBondContact O-N 3.05Å; G141-I145 WeakPolarHBondContact O-CG1 3.37Å; G141-I145 PolarHBondContact O-N 2.76Å; G141-S154 WeakPolarHBondContact CA-O 3.44Å
142	A	98.5	Very high	97.8	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-62.9	-41.3	176.5	0	0	0	0	0	112.6	M92 L93 I96 M138 W139 I145 M146 F158	M92-A142 HydrophobicContact CB-CB 4.15Å; L93-A142 HydrophobicContact CD2-CB 3.73Å; L93-A142 HydrophobicContact CG-CB 4.1Å; I96-A142 HydrophobicContact CD1-CB 3.78Å; M138-A142 PolarHBondContact O-N 3.12Å; W139-A142 PolarHBondContact O-N 3.11Å; A142-I145 PolarHBondContact O-N 2.96Å; A142-M146 WeakPolarHBondContact O-CB 3.41Å; A142-M146 PolarHBondContact O-N 3.23Å; A142-F158 HydrophobicContact CB-CD2 4.03Å; A142-F158 HydrophobicContact CB-CE2 4.43Å
143	W	98.5	Very high	97.8	Very high	94 Å²	94	46.5 Å²	46.5	36%	0.356	22%	0.221	S	C	.	.	H	α-helix	trans	-58.5	-47.3	170.4	-91.6	106.7	0	0	0	111.9	L93 W139 L140 I145 M146 L147	L93-W143 HydrophobicContact CD1-CD2 3.84Å; L93-W143 HydrophobicContact CD1-CE3 4.32Å; L93-W143 HydrophobicContact CD1-CG 4.16Å; L93-W143 HydrophobicContact CD1-CZ2 4.09Å; L93-W143 HydrophobicContact CD2-CB 4.48Å; L93-W143 HydrophobicContact CD2-CD2 4.29Å; L93-W143 HydrophobicContact CD2-CG 3.82Å; W139-W143 AromaticContact CD2-CD1 3.92Å; W139-W143 AromaticContact CE2-CD1 3.66Å; W139-W143 AromaticContact CE2-NE1 3.38Å; W139-W143 AromaticContact CH2-NE1 3.74Å; W139-W143 AromaticContact CZ2-CD1 3.8Å; W139-W143 AromaticContact CZ2-NE1 3.18Å; W139-W143 AromaticContact NE1-NE1 3.78Å; W139-W143 PolarHBondContact O-N 3.44Å; L140-W143 PolarHBondContact O-N 3.11Å; W143-I145 VanDerWaalsContact C-N 3.32Å; W143-I145 PolarHBondContact O-N 2.92Å; W143-M146 HydrophobicContact CD2-CE 4.23Å; W143-M146 HydrophobicContact CE3-CE 3.31Å; W143-M146 HydrophobicContact CH2-CE 3.77Å; W143-M146 HydrophobicContact CZ3-CE 3.06Å; W143-M146 PolarHBondContact O-N 3Å; W143-L147 HydrophobicContact CE3-CD1 4.02Å; W143-L147 HydrophobicContact CE3-CG 4.21Å; W143-L147 WeakPolarHBondContact O-CB 3.41Å; W143-L147 WeakPolarHBondContact O-CG 3.29Å; W143-L147 PolarHBondContact O-N 3.27Å
144	G	98.3	Very high	97.9	Very high	6 Å²	6	44.9 Å²	44.9	6%	0.062	21%	0.211	C	C	.	.	H	α-helix	trans	-63.4	-36.3	177.9	0	0	0	0	0	112.8	L140 G141 G148 Y149 S154	L140-G144 PolarHBondContact O-N 2.94Å; G141-G144 CarbonylContact O-C 3.6Å; G141-G144 PolarHBondContact O-N 3.05Å; G144-G148 WeakPolarHBondContact O-CA 3.49Å; G144-G148 PolarHBondContact O-N 2.86Å; G144-Y149 PolarHBondContact O-N 3.03Å; G144-S154 VanDerWaalsContact C-CB 3.47Å; G144-S154 WeakPolarHBondContact CA-OG 3.2Å
145	I	98.6	Very high	97.9	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-61.3	-53.5	170	-70.5	171.2	0	0	0	109.3	R85 Y88 G141 A142 W143 L147 G148 F151 F158	R85-I145 WeakPolarHBondContact CD-O 3.3Å; R85-I145 HydrophobicContact CG-CG2 4.23Å; R85-I145 PolarHBondContact NH1-O 3.41Å; Y88-I145 HydrophobicContact CD1-CG2 4.25Å; G141-I145 WeakPolarHBondContact O-CG1 3.37Å; G141-I145 PolarHBondContact O-N 2.76Å; A142-I145 PolarHBondContact O-N 2.96Å; W143-I145 VanDerWaalsContact C-N 3.32Å; W143-I145 PolarHBondContact O-N 2.92Å; I145-L147 PolarHBondContact O-N 3.05Å; I145-G148 PolarHBondContact O-N 3.26Å; I145-G148 VanDerWaalsContact O-N 3.08Å; I145-F151 HydrophobicContact CG2-CE2 4.39Å; I145-F158 HydrophobicContact CD1-CB 3.71Å; I145-F158 HydrophobicContact CD1-CD1 3.85Å; I145-F158 HydrophobicContact CD1-CG 3.79Å
146	M	98.4	Very high	97.9	Very high	28 Å²	28	47.3 Å²	47.3	14%	0.138	22%	0.222	C	C	.	.	H	α-helix	trans	-61.6	-36.8	-177	-174.6	-178.3	74	0	0	113.5	R85 L86 A90 L93 A142 W143	R85-M146 VanDerWaalsContact CZ-O 3.24Å; R85-M146 PolarHBondContact NH1-O 2.84Å; R85-M146 PolarHBondContact NH2-O 3.09Å; L86-M146 HydrophobicContact CG-CG 4.29Å; L86-M146 WeakPolarHBondContact O-CG 3.29Å; A90-M146 HydrophobicContact CB-CG 4.35Å; A90-M146 HydrophobicContact CB-SD 3.67Å; L93-M146 HydrophobicContact CD1-CE 3.93Å; L93-M146 HydrophobicContact CD1-SD 3.79Å; A142-M146 WeakPolarHBondContact O-CB 3.41Å; A142-M146 PolarHBondContact O-N 3.23Å; W143-M146 HydrophobicContact CD2-CE 4.23Å; W143-M146 HydrophobicContact CE3-CE 3.31Å; W143-M146 HydrophobicContact CH2-CE 3.77Å; W143-M146 HydrophobicContact CZ3-CE 3.06Å; W143-M146 PolarHBondContact O-N 3Å
147	L	98	Very high	97.9	Very high	81 Å²	81	46.9 Å²	46.9	42%	0.424	22%	0.224	S	C	.	.	H	α-helix	trans	-85.6	-13.6	176.5	-62.7	176.6	0	0	0	112.3	W143 I145 Y149 S197 L198	W143-L147 HydrophobicContact CE3-CD1 4.02Å; W143-L147 HydrophobicContact CE3-CG 4.21Å; W143-L147 WeakPolarHBondContact O-CB 3.41Å; W143-L147 WeakPolarHBondContact O-CG 3.29Å; W143-L147 PolarHBondContact O-N 3.27Å; I145-L147 PolarHBondContact O-N 3.05Å; L147-Y149 VanDerWaalsContact C-N 3.27Å; L147-Y149 PolarHBondContact O-N 2.92Å; L147-S197 CarbonylContact O-C 3.48Å; L147-S197 VanDerWaalsContact O-CA 3.26Å; L147-S197 WeakPolarHBondContact O-CA 3.1Å; L147-L198 PolarHBondContact O-N 2.7Å
148	G	96.6	Very high	97.9	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	41.1	-171	0	0	0	0	0	112.2	G144 I145 D199	G144-G148 WeakPolarHBondContact O-CA 3.49Å; G144-G148 PolarHBondContact O-N 2.86Å; I145-G148 PolarHBondContact O-N 3.26Å; I145-G148 VanDerWaalsContact O-N 3.08Å; G148-D199 WeakPolarHBondContact O-CB 3.14Å; G148-D199 PolarHBondContact O-N 2.83Å; G148-D199 VanDerWaalsContact O-N 3.13Å
149	Y	96.5	Very high	97.9	Very high	89 Å²	89	44.7 Å²	44.7	35%	0.349	21%	0.209	S	C	.	.	S	Bend	trans	-98	130.4	176.3	175.7	-118.9	0	0	0	110.1	G144 L147 F151 S154 L198 D199 L202	G144-Y149 PolarHBondContact O-N 3.03Å; L147-Y149 VanDerWaalsContact C-N 3.27Å; L147-Y149 PolarHBondContact O-N 2.92Å; Y149-F151 PolarHBondContact O-N 3.33Å; Y149-F151 VanDerWaalsContact O-N 3.16Å; Y149-S154 PolarHBondContact O-OG 2.85Å; Y149-L198 HydrophobicContact CD2-CB 4.42Å; Y149-L198 HydrophobicContact CD2-CD2 3.67Å; Y149-L198 HydrophobicContact CD2-CG 4.29Å; Y149-L198 HydrophobicContact CE2-CD2 4.37Å; Y149-L198 HydrophobicContact CG-CD2 3.96Å; Y149-D199 WeakPolarHBondContact CA-OD1 3.41Å; Y149-L202 HydrophobicContact CD2-CD1 4.45Å; Y149-L202 HydrophobicContact CE2-CD1 4.25Å
150	R	95.9	Very high	97.9	Very high	156 Å²	156	49 Å²	49	59%	0.589	23%	0.233	S	C	*	.	S	Bend	trans	34.5	58	-169.4	-58.1	-169.9	175.2	-177.8	-1.4	110.7	R152 T153 S154 D199	R150-R152 VanDerWaalsContact C-N 3.32Å; R150-R152 PolarHBondContact O-N 3.47Å; R150-R152 VanDerWaalsContact O-N 3.08Å; R150-T153 WeakPolarHBondContact CB-OG1 3.29Å; R150-T153 PolarHBondContact O-N 2.84Å; R150-T153 PolarHBondContact O-OG1 3.5Å; R150-S154 PolarHBondContact O-N 3.07Å; R150-S154 PolarHBondContact O-OG 3.04Å; R150-D199 WeakPolarHBondContact CA-OD2 3.38Å; R150-D199 VanDerWaalsContact N-CG 3.25Å; R150-D199 PolarHBondContact N-OD1 3.1Å; R150-D199 PolarHBondContact N-OD2 3.4Å; R150-D199 VanDerWaalsContact N-OD2 3.16Å
151	F	96.3	Very high	97.9	Very high	2 Å²	2	45 Å²	45	1%	0.009	21%	0.213	C	C	.	.	H	α-helix	trans	-51.8	-45.9	-155.3	176.7	-118.4	0	0	0	114	R85 I145 Y149 T153 S154 C155 L187 A192 E193 D199	R85-F151 HydrophobicContact CG-CD2 4.44Å; R85-F151 HydrophobicContact CG-CE2 3.59Å; R85-F151 HydrophobicContact CG-CZ 4.07Å; I145-F151 HydrophobicContact CG2-CE2 4.39Å; Y149-F151 PolarHBondContact O-N 3.33Å; Y149-F151 VanDerWaalsContact O-N 3.16Å; F151-T153 PolarHBondContact O-N 2.86Å; F151-S154 PolarHBondContact O-N 3.12Å; F151-C155 PolarHBondContact O-N 3.44Å; F151-C155 PolarHBondContact O-SG 2.67Å; F151-C155 VanDerWaalsContact O-SG 3.33Å; F151-L187 VanDerWaalsContact CE1-O 3.26Å; F151-L187 WeakPolarHBondContact CE1-O 3.31Å; F151-L187 HydrophobicContact CZ-CB 4.15Å; F151-L187 HydrophobicContact CZ-CD2 4.44Å; F151-A192 HydrophobicContact CE1-CB 4Å; F151-A192 HydrophobicContact CZ-CB 3.76Å; F151-E193 HydrophobicContact CB-CB 3.64Å; F151-E193 HydrophobicContact CB-CG 4.18Å; F151-E193 HydrophobicContact CD1-CB 4.03Å; F151-E193 HydrophobicContact CD1-CG 4.47Å; F151-E193 WeakPolarHBondContact CD1-OE2 3.4Å; F151-E193 HydrophobicContact CG-CB 3.85Å; F151-D199 PolarHBondContact N-OD2 3.4Å; F151-D199 VanDerWaalsContact N-OD2 3.09Å
152	R	96.9	Very high	97.8	Very high	131 Å²	131	45.2 Å²	45.2	49%	0.494	21%	0.213	S	C	.	.	H	α-helix	trans	-64.3	-42	178.9	-65.1	-169.1	179.8	116.4	10.8	113.8	R150 S154 C155 L156 L188	R150-R152 VanDerWaalsContact C-N 3.32Å; R150-R152 PolarHBondContact O-N 3.47Å; R150-R152 VanDerWaalsContact O-N 3.08Å; R152-S154 VanDerWaalsContact C-N 3.32Å; R152-C155 PolarHBondContact O-N 3.3Å; R152-L156 WeakPolarHBondContact O-CG 3.33Å; R152-L156 PolarHBondContact O-N 2.83Å; R152-L188 HydrophobicContact CB-CD1 4.2Å; R152-L188 WeakPolarHBondContact O-CD1 3.36Å
153	T	97.8	Very high	97.8	Very high	84 Å²	84	48.1 Å²	48.1	52%	0.515	22%	0.224	S	C	.	.	H	α-helix	trans	-67.9	-35.4	176.4	39.6	0	0	0	0	111.6	R150 F151 L156 A157	R150-T153 WeakPolarHBondContact CB-OG1 3.29Å; R150-T153 PolarHBondContact O-N 2.84Å; R150-T153 PolarHBondContact O-OG1 3.5Å; F151-T153 PolarHBondContact O-N 2.86Å; T153-L156 PolarHBondContact O-N 2.81Å; T153-A157 WeakPolarHBondContact O-CB 3.38Å; T153-A157 PolarHBondContact O-N 2.99Å
154	S	98.3	Very high	97.7	Very high	13 Å²	13	46.3 Å²	46.3	9%	0.091	22%	0.218	C	C	.	.	H	α-helix	trans	-66.9	-39.8	174.6	-61.2	0	0	0	0	112	G141 G144 Y149 R150 F151 R152 L156 A157 F158	G141-S154 WeakPolarHBondContact CA-O 3.44Å; G144-S154 VanDerWaalsContact C-CB 3.47Å; G144-S154 WeakPolarHBondContact CA-OG 3.2Å; Y149-S154 PolarHBondContact O-OG 2.85Å; R150-S154 PolarHBondContact O-N 3.07Å; R150-S154 PolarHBondContact O-OG 3.04Å; F151-S154 PolarHBondContact O-N 3.12Å; R152-S154 VanDerWaalsContact C-N 3.32Å; S154-L156 PolarHBondContact O-N 2.65Å; S154-A157 PolarHBondContact O-N 3.31Å; S154-F158 PolarHBondContact O-N 2.99Å
155	C	98.5	Very high	97.5	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-58.6	-45.1	170	-70.9	0	0	0	0	111.9	F151 R152 F158 L159 L188	F151-C155 PolarHBondContact O-N 3.44Å; F151-C155 PolarHBondContact O-SG 2.67Å; F151-C155 VanDerWaalsContact O-SG 3.33Å; R152-C155 PolarHBondContact O-N 3.3Å; C155-F158 PolarHBondContact O-N 3.46Å; C155-L159 VanDerWaalsContact O-CB 3.26Å; C155-L159 WeakPolarHBondContact O-CB 3.35Å; C155-L159 WeakPolarHBondContact O-CG 3.46Å; C155-L159 PolarHBondContact O-N 2.91Å; C155-L188 HydrophobicContact CB-CB 3.88Å; C155-L188 HydrophobicContact CB-CD1 3.66Å; C155-L188 HydrophobicContact CB-CG 4.37Å
156	L	98.4	Very high	97.3	Very high	74 Å²	74	47.1 Å²	47.1	39%	0.387	22%	0.22	S	C	.	.	H	α-helix	trans	-64.3	-41.8	176.8	-71	172.3	0	0	0	112.5	R152 T153 S154 F158 L159 M160 L188	R152-L156 WeakPolarHBondContact O-CG 3.33Å; R152-L156 PolarHBondContact O-N 2.83Å; T153-L156 PolarHBondContact O-N 2.81Å; S154-L156 PolarHBondContact O-N 2.65Å; L156-F158 VanDerWaalsContact C-N 3.26Å; L156-F158 PolarHBondContact O-N 3.28Å; L156-L159 PolarHBondContact O-N 3.12Å; L156-M160 WeakPolarHBondContact O-CB 3.34Å; L156-M160 WeakPolarHBondContact O-CG 3.47Å; L156-M160 PolarHBondContact O-N 3.28Å; L156-L188 HydrophobicContact CD2-CD1 4.08Å; L156-L188 HydrophobicContact CD2-CD2 3.73Å; L156-L188 HydrophobicContact CG-CD1 3.85Å; L156-L188 HydrophobicContact CG-CD2 4.43Å
157	A	98.6	Very high	97.2	Very high	30 Å²	30	47.9 Å²	47.9	25%	0.248	22%	0.224	C	C	.	.	H	α-helix	trans	-63	-31.8	177	0	0	0	0	0	112.5	C137 T153 S154 P161	C137-A157 CarbonylContact C-O 3.45Å; T153-A157 WeakPolarHBondContact O-CB 3.38Å; T153-A157 PolarHBondContact O-N 2.99Å; S154-A157 PolarHBondContact O-N 3.31Å; A157-P161 WeakPolarHBondContact O-CD 3.26Å; A157-P161 VanDerWaalsContact O-CG 3.3Å; A157-P161 WeakPolarHBondContact O-CG 3.4Å
158	F	98.6	Very high	97	Very high	0 Å²	0	44 Å²	44	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-74.7	-51.9	170.1	173.7	-101.4	0	0	0	111.7	M92 I96 M138 A142 I145 S154 C155 L156 Y162	M92-F158 HydrophobicContact CB-CE2 3.97Å; M92-F158 HydrophobicContact CB-CZ 4.25Å; M92-F158 HydrophobicContact CG-CE2 4.08Å; M92-F158 HydrophobicContact CG-CZ 3.83Å; M92-F158 HydrophobicContact SD-CE2 4.41Å; M92-F158 HydrophobicContact SD-CZ 3.82Å; I96-F158 HydrophobicContact CD1-CD2 4.36Å; I96-F158 HydrophobicContact CD1-CE2 4.13Å; M138-F158 HydrophobicContact CG-CD2 3.83Å; M138-F158 HydrophobicContact CG-CE2 4.14Å; A142-F158 HydrophobicContact CB-CD2 4.03Å; A142-F158 HydrophobicContact CB-CE2 4.43Å; I145-F158 HydrophobicContact CD1-CB 3.71Å; I145-F158 HydrophobicContact CD1-CD1 3.85Å; I145-F158 HydrophobicContact CD1-CG 3.79Å; S154-F158 PolarHBondContact O-N 2.99Å; C155-F158 PolarHBondContact O-N 3.46Å; L156-F158 VanDerWaalsContact C-N 3.26Å; L156-F158 PolarHBondContact O-N 3.28Å; F158-Y162 HydrophobicContact CE1-CD2 4.06Å; F158-Y162 HydrophobicContact CE1-CG 4.22Å; F158-Y162 HydrophobicContact CE2-CD2 4Å; F158-Y162 AromaticContact CZ-CD2 3.5Å; F158-Y162 HydrophobicContact CZ-CD2 3.5Å; F158-Y162 AromaticContact CZ-CE2 3.97Å; F158-Y162 HydrophobicContact CZ-CE2 3.97Å; F158-Y162 HydrophobicContact CZ-CG 4.12Å; F158-Y162 WeakPolarHBondContact O-CB 3.46Å; F158-Y162 PolarHBondContact O-N 3.18Å
159	L	98.3	Very high	96.7	Very high	9 Å²	9	44 Å²	44	5%	0.047	20%	0.204	C	C	.	.	H	α-helix	trans	-69.5	-37.6	-167.8	-74.8	170.4	0	0	0	114.6	C155 L156 Y162 W163 L188	C155-L159 VanDerWaalsContact O-CB 3.26Å; C155-L159 WeakPolarHBondContact O-CB 3.35Å; C155-L159 WeakPolarHBondContact O-CG 3.46Å; C155-L159 PolarHBondContact O-N 2.91Å; L156-L159 PolarHBondContact O-N 3.12Å; L159-Y162 PolarHBondContact O-N 2.93Å; L159-W163 PolarHBondContact O-N 2.96Å; L159-L188 HydrophobicContact CD1-CB 3.95Å; L159-L188 HydrophobicContact CD1-CD2 3.98Å
160	M	97.9	Very high	96.5	Very high	136 Å²	136	40 Å²	40	67%	0.67	19%	0.188	S	C	*	.	H	α-helix	trans	-64.7	-53.9	-177	-70.3	-65.9	-158	0	0	111.1	L156 Y162 Y164	L156-M160 WeakPolarHBondContact O-CB 3.34Å; L156-M160 WeakPolarHBondContact O-CG 3.47Å; L156-M160 PolarHBondContact O-N 3.28Å; M160-Y162 VanDerWaalsContact C-N 3.34Å; M160-Y162 PolarHBondContact O-N 3.28Å; M160-Y164 VanDerWaalsContact O-CB 3.28Å; M160-Y164 WeakPolarHBondContact O-CB 3.33Å; M160-Y164 PolarHBondContact O-N 2.98Å
161	P	97.8	Very high	96.2	Very high	12 Å²	12	33.1 Å²	33.1	8%	0.078	16%	0.164	C	C	.	.	H	α-helix	trans	-56.2	-43.2	168.3	-30.2	38.7	0	0	0	113.9	V134 C137 M138 A157 Y164 I165	V134-P161 HydrophobicContact CG1-CB 3.7Å; V134-P161 HydrophobicContact CG1-CG 4.36Å; C137-P161 HydrophobicContact CB-CG 4.08Å; M138-P161 HydrophobicContact CB-CB 3.69Å; M138-P161 HydrophobicContact CB-CG 4.18Å; M138-P161 HydrophobicContact CG-CB 4.12Å; M138-P161 HydrophobicContact SD-CB 4.32Å; A157-P161 WeakPolarHBondContact O-CD 3.26Å; A157-P161 VanDerWaalsContact O-CG 3.3Å; A157-P161 WeakPolarHBondContact O-CG 3.4Å; P161-Y164 WeakPolarHBondContact O-CB 3.1Å; P161-Y164 PolarHBondContact O-N 3.07Å; P161-I165 WeakPolarHBondContact O-CG1 3.36Å; P161-I165 PolarHBondContact O-N 2.91Å
162	Y	97.6	Very high	95.8	Very high	5 Å²	5	34.5 Å²	34.5	2%	0.02	17%	0.172	C	C	.	.	H	α-helix	trans	-59.4	-52.8	-176.3	-172.4	-84.5	0	0	0	111.6	R100 M138 F158 L159 M160 Y164 I165 F166 S177	R100-Y162 HydrophobicContact CG-CE2 4.31Å; M138-Y162 HydrophobicContact SD-CD2 4.02Å; F158-Y162 HydrophobicContact CE1-CD2 4.06Å; F158-Y162 HydrophobicContact CE1-CG 4.22Å; F158-Y162 HydrophobicContact CE2-CD2 4Å; F158-Y162 AromaticContact CZ-CD2 3.5Å; F158-Y162 HydrophobicContact CZ-CD2 3.5Å; F158-Y162 AromaticContact CZ-CE2 3.97Å; F158-Y162 HydrophobicContact CZ-CE2 3.97Å; F158-Y162 HydrophobicContact CZ-CG 4.12Å; F158-Y162 WeakPolarHBondContact O-CB 3.46Å; F158-Y162 PolarHBondContact O-N 3.18Å; L159-Y162 PolarHBondContact O-N 2.93Å; M160-Y162 VanDerWaalsContact C-N 3.34Å; M160-Y162 PolarHBondContact O-N 3.28Å; Y162-Y164 VanDerWaalsContact C-N 3.32Å; Y162-Y164 PolarHBondContact O-N 2.97Å; Y162-I165 PolarHBondContact O-N 3.48Å; Y162-F166 VanDerWaalsContact O-CB 3.22Å; Y162-F166 WeakPolarHBondContact O-CB 3.25Å; Y162-F166 PolarHBondContact O-N 2.79Å; Y162-S177 WeakPolarHBondContact OH-CA 3.3Å; Y162-S177 PolarHBondContact OH-O 3.3Å
163	W	97.3	Very high	95.2	Very high	60 Å²	60	28.6 Å²	28.6	23%	0.227	15%	0.15	C	C	.	.	H	α-helix	trans	-69.5	-30.2	178.5	-77.2	116.8	0	0	0	112.5	L159 F166 L167 Y178 G181 T185	L159-W163 PolarHBondContact O-N 2.96Å; W163-F166 HydrophobicContact CE3-CB 4.22Å; W163-F166 AromaticContact CE3-CD1 3.77Å; W163-F166 HydrophobicContact CE3-CD1 3.77Å; W163-F166 HydrophobicContact CE3-CE1 4.36Å; W163-F166 HydrophobicContact CE3-CG 4.08Å; W163-F166 AromaticContact CZ3-CD1 3.67Å; W163-F166 HydrophobicContact CZ3-CD1 3.67Å; W163-F166 AromaticContact CZ3-CE1 3.79Å; W163-F166 HydrophobicContact CZ3-CE1 3.79Å; W163-F166 HydrophobicContact CZ3-CG 4.14Å; W163-F166 HydrophobicContact CZ3-CZ 4.35Å; W163-L167 VanDerWaalsContact O-CB 3.27Å; W163-L167 WeakPolarHBondContact O-CB 3.42Å; W163-L167 WeakPolarHBondContact O-CD1 3.42Å; W163-L167 WeakPolarHBondContact O-CG 3.45Å; W163-L167 PolarHBondContact O-N 3.06Å; W163-Y178 AromaticContact CH2-CD2 3.8Å; W163-Y178 HydrophobicContact CH2-CD2 3.8Å; W163-Y178 AromaticContact CH2-CE2 3.92Å; W163-Y178 HydrophobicContact CH2-CE2 3.92Å; W163-Y178 HydrophobicContact CZ3-CD2 4.26Å; W163-G181 VanDerWaalsContact CZ2-C 3.4Å; W163-T185 PolarHBondContact NE1-OG1 3.28Å; W163-T185 VanDerWaalsContact NE1-OG1 3.11Å
164	Y	96.6	Very high	94.8	Very high	57 Å²	57	26 Å²	26	22%	0.224	13%	0.133	C	C	.	.	H	α-helix	trans	-62.6	-54	172.2	168.1	-108.9	0	0	0	111.7	M123 R124 L126 M131 V134 M160 P161 Y162 F166 L167 L168	M123-Y164 HydrophobicContact CE-CD2 4.13Å; M123-Y164 HydrophobicContact CE-CE2 4.26Å; R124-Y164 PolarHBondContact O-OH 2.96Å; R124-Y164 VanDerWaalsContact O-OH 3.13Å; L126-Y164 PolarHBondContact N-OH 3.43Å; M131-Y164 HydrophobicContact CE-CE1 4.23Å; M131-Y164 HydrophobicContact SD-CE1 3.89Å; V134-Y164 HydrophobicContact CG1-CD1 3.99Å; V134-Y164 HydrophobicContact CG1-CE1 4.36Å; V134-Y164 HydrophobicContact CG2-CE1 4.5Å; M160-Y164 VanDerWaalsContact O-CB 3.28Å; M160-Y164 WeakPolarHBondContact O-CB 3.33Å; M160-Y164 PolarHBondContact O-N 2.98Å; P161-Y164 WeakPolarHBondContact O-CB 3.1Å; P161-Y164 PolarHBondContact O-N 3.07Å; Y162-Y164 VanDerWaalsContact C-N 3.32Å; Y162-Y164 PolarHBondContact O-N 2.97Å; Y164-F166 VanDerWaalsContact C-N 3.31Å; Y164-F166 PolarHBondContact O-N 3.13Å; Y164-L167 PolarHBondContact O-N 2.99Å; Y164-L168 HydrophobicContact CE1-CD2 4.26Å; Y164-L168 WeakPolarHBondContact O-CB 3.35Å; Y164-L168 PolarHBondContact O-N 2.83Å
165	I	95.3	Very high	94.5	Very high	7 Å²	7	25.6 Å²	25.6	4%	0.036	13%	0.13	C	C	.	.	H	α-helix	trans	-63.6	-39.8	178.9	-67.1	161.4	0	0	0	110.8	M131 V134 Y135 M138 P161 Y162	M131-I165 HydrophobicContact CE-CG1 4.23Å; V134-I165 HydrophobicContact CG1-CD1 3.95Å; V134-I165 HydrophobicContact CG1-CG1 4.19Å; Y135-I165 HydrophobicContact CD2-CD1 3.87Å; Y135-I165 HydrophobicContact CE1-CD1 4.31Å; Y135-I165 HydrophobicContact CE2-CD1 3.45Å; Y135-I165 VanDerWaalsContact CE2-CD1 3.45Å; Y135-I165 HydrophobicContact CE2-CG1 4.22Å; Y135-I165 HydrophobicContact CG-CD1 4.46Å; M138-I165 HydrophobicContact CE-CD1 3.8Å; M138-I165 HydrophobicContact SD-CD1 4.16Å; P161-I165 WeakPolarHBondContact O-CG1 3.36Å; P161-I165 PolarHBondContact O-N 2.91Å; Y162-I165 PolarHBondContact O-N 3.48Å
166	F	94.4	Very high	94.1	Very high	16 Å²	16	26.3 Å²	26.3	7%	0.07	13%	0.133	C	C	.	.	H	α-helix	trans	-54.2	-72.1	170.9	-171	-89.9	0	0	0	107.3	Y162 W163 Y164 L168 D169 W173 Y178	Y162-F166 VanDerWaalsContact O-CB 3.22Å; Y162-F166 WeakPolarHBondContact O-CB 3.25Å; Y162-F166 PolarHBondContact O-N 2.79Å; W163-F166 HydrophobicContact CE3-CB 4.22Å; W163-F166 AromaticContact CE3-CD1 3.77Å; W163-F166 HydrophobicContact CE3-CD1 3.77Å; W163-F166 HydrophobicContact CE3-CE1 4.36Å; W163-F166 HydrophobicContact CE3-CG 4.08Å; W163-F166 AromaticContact CZ3-CD1 3.67Å; W163-F166 HydrophobicContact CZ3-CD1 3.67Å; W163-F166 AromaticContact CZ3-CE1 3.79Å; W163-F166 HydrophobicContact CZ3-CE1 3.79Å; W163-F166 HydrophobicContact CZ3-CG 4.14Å; W163-F166 HydrophobicContact CZ3-CZ 4.35Å; Y164-F166 VanDerWaalsContact C-N 3.31Å; Y164-F166 PolarHBondContact O-N 3.13Å; F166-L168 PolarHBondContact O-N 3.03Å; F166-D169 PolarHBondContact O-N 3.4Å; F166-W173 VanDerWaalsContact C-CE2 3.47Å; F166-W173 VanDerWaalsContact C-NE1 3.32Å; F166-W173 AromaticContact CD1-CD2 3.98Å; F166-W173 HydrophobicContact CD1-CD2 3.98Å; F166-W173 AromaticContact CD1-CE2 3.72Å; F166-W173 HydrophobicContact CD1-CE3 4.14Å; F166-W173 AromaticContact CD1-CH2 3.8Å; F166-W173 HydrophobicContact CD1-CH2 3.8Å; F166-W173 AromaticContact CD1-CZ2 3.74Å; F166-W173 HydrophobicContact CD1-CZ2 3.74Å; F166-W173 HydrophobicContact CD1-CZ3 4Å; F166-W173 AromaticContact CD2-CD1 3.99Å; F166-W173 HydrophobicContact CD2-CD2 4.1Å; F166-W173 HydrophobicContact CD2-CG 4.06Å; F166-W173 AromaticContact CE1-CD2 3.64Å; F166-W173 HydrophobicContact CE1-CD2 3.64Å; F166-W173 AromaticContact CE1-CE2 3.85Å; F166-W173 AromaticContact CE1-CE3 3.41Å; F166-W173 HydrophobicContact CE1-CE3 3.41Å; F166-W173 VanDerWaalsContact CE1-CE3 3.41Å; F166-W173 HydrophobicContact CE1-CG 4.49Å; F166-W173 AromaticContact CE1-CH2 3.63Å; F166-W173 HydrophobicContact CE1-CH2 3.63Å; F166-W173 AromaticContact CE1-CZ2 3.95Å; F166-W173 HydrophobicContact CE1-CZ2 3.95Å; F166-W173 AromaticContact CE1-CZ3 3.35Å; F166-W173 HydrophobicContact CE1-CZ3 3.35Å; F166-W173 HydrophobicContact CE2-CB 4.15Å; F166-W173 AromaticContact CE2-CD2 3.77Å; F166-W173 HydrophobicContact CE2-CD2 3.77Å; F166-W173 HydrophobicContact CE2-CE3 4.1Å; F166-W173 AromaticContact CE2-CG 3.76Å; F166-W173 HydrophobicContact CE2-CG 3.76Å; F166-W173 HydrophobicContact CG-CD2 4.2Å; F166-W173 AromaticContact CG-CE2 3.9Å; F166-W173 HydrophobicContact CG-CZ2 4.29Å; F166-W173 AromaticContact CG-NE1 3.98Å; F166-W173 HydrophobicContact CZ-CB 4.45Å; F166-W173 AromaticContact CZ-CD2 3.53Å; F166-W173 HydrophobicContact CZ-CD2 3.53Å; F166-W173 AromaticContact CZ-CE3 3.38Å; F166-W173 HydrophobicContact CZ-CE3 3.38Å; F166-W173 AromaticContact CZ-CG 4Å; F166-W173 HydrophobicContact CZ-CG 4Å; F166-W173 HydrophobicContact CZ-CH2 4.44Å; F166-W173 AromaticContact CZ-CZ3 3.83Å; F166-W173 HydrophobicContact CZ-CZ3 3.83Å; F166-W173 WeakPolarHBondContact O-CZ2 3.21Å; F166-W173 PolarHBondContact O-NE1 3.31Å; F166-Y178 HydrophobicContact CZ-CD2 4.33Å
167	L	94.6	Very high	93.9	Very high	44 Å²	44	22.8 Å²	22.8	23%	0.23	11%	0.114	C	C	.	.	H	α-helix	trans	-54.9	-24.6	-174.4	-65.7	172	0	0	0	115.9	P118 L119 F120 M123 W163 Y164 W173	P118-L167 WeakPolarHBondContact CA-O 3.49Å; L119-L167 HydrophobicContact CB-CD2 4.3Å; L119-L167 HydrophobicContact CD2-CD2 3.63Å; L119-L167 PolarHBondContact N-O 2.81Å; F120-L167 HydrophobicContact CE2-CD1 4.17Å; F120-L167 HydrophobicContact CE2-CD2 3.94Å; M123-L167 HydrophobicContact CE-CB 3.8Å; M123-L167 HydrophobicContact SD-CB 4Å; W163-L167 VanDerWaalsContact O-CB 3.27Å; W163-L167 WeakPolarHBondContact O-CB 3.42Å; W163-L167 WeakPolarHBondContact O-CD1 3.42Å; W163-L167 WeakPolarHBondContact O-CG 3.45Å; W163-L167 PolarHBondContact O-N 3.06Å; Y164-L167 PolarHBondContact O-N 2.99Å; L167-W173 HydrophobicContact CD2-CH2 4.34Å
168	L	94.6	Very high	93.7	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-70.8	-31.7	178.3	-179.8	64.4	0	0	0	114.2	F109 F117 P118 M123 R124 A125 Y164 F166	F109-L168 HydrophobicContact CE1-CD2 3.97Å; F117-L168 CarbonylContact C-O 3.53Å; P118-L168 WeakPolarHBondContact CA-O 3.49Å; M123-L168 HydrophobicContact CB-CD1 4.4Å; M123-L168 HydrophobicContact CE-CB 3.96Å; M123-L168 HydrophobicContact CE-CD1 4.46Å; R124-L168 VanDerWaalsContact C-CD1 3.47Å; A125-L168 HydrophobicContact CB-CD2 3.98Å; Y164-L168 HydrophobicContact CE1-CD2 4.26Å; Y164-L168 WeakPolarHBondContact O-CB 3.35Å; Y164-L168 PolarHBondContact O-N 2.83Å; F166-L168 PolarHBondContact O-N 3.03Å
169	D	91.1	Very high	93.5	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.108	C	C	.	.			trans	-147.2	78.9	-162.9	-162.4	24.8	0	0	0	114.6	R108 H116 F166 T172 W173 Y433	R108-D169 IonicContact CZ-OD2 3.56Å; R108-D169 IonicContact NE-OD2 3.47Å; R108-D169 IonicContact NH2-OD2 3.73Å; R108-D169 PolarHBondContact NH2-OD2 3.26Å; H116-D169 IonicContact ND1-OD1 2.63Å; H116-D169 IonicContact ND1-OD2 3.75Å; F166-D169 PolarHBondContact O-N 3.4Å; D169-T172 PolarHBondContact O-N 3.17Å; D169-T172 PolarHBondContact O-OG1 2.92Å; D169-W173 VanDerWaalsContact C-NE1 3.31Å; D169-W173 PolarHBondContact O-NE1 2.94Å; D169-Y433 WeakPolarHBondContact OD1-CE2 3.42Å; D169-Y433 PolarHBondContact OD2-OH 3.11Å
170	K	91.3	Very high	93.5	Very high	5 Å²	5	22.3 Å²	22.3	2%	0.022	11%	0.106	C	C	.	.	G	3₁₀ helix	trans	-53.4	-37.2	-175	-69.2	171	-67.2	-173.5	0	116.8	F117 P118 L119 T172 W173 L393 R435 D441 M442 Q445	F117-K170 WeakPolarHBondContact O-CE 3.47Å; F117-K170 WeakPolarHBondContact O-CG 3.34Å; F117-K170 PolarHBondContact O-N 3.37Å; P118-K170 WeakPolarHBondContact O-CE 3.28Å; P118-K170 PolarHBondContact O-NZ 2.92Å; P118-K170 VanDerWaalsContact O-NZ 3.08Å; L119-K170 HydrophobicContact CB-CD 4.39Å; L119-K170 HydrophobicContact CB-CG 4.49Å; L119-K170 HydrophobicContact CD1-CD 4.01Å; K170-T172 PolarHBondContact O-N 2.81Å; K170-T172 VanDerWaalsContact O-N 3.14Å; K170-W173 VanDerWaalsContact CA-CE2 3.45Å; K170-W173 HydrophobicContact CB-CD2 4.42Å; K170-W173 HydrophobicContact CB-CZ2 4.27Å; K170-W173 HydrophobicContact CG-CD2 4.38Å; K170-W173 HydrophobicContact CG-CE3 4.29Å; K170-W173 HydrophobicContact CG-CH2 3.61Å; K170-W173 HydrophobicContact CG-CZ2 3.55Å; K170-W173 HydrophobicContact CG-CZ3 3.98Å; K170-W173 WeakPolarHBondContact O-CB 3.47Å; K170-W173 PolarHBondContact O-N 2.91Å; K170-W173 VanDerWaalsContact O-N 3.1Å; K170-L393 HydrophobicContact CD-CD1 4.14Å; K170-R435 PolarHBondContact O-NH1 2.84Å; K170-D441 IonicContact NZ-OD2 2.96Å; K170-D441 PolarHBondContact NZ-OD2 3.42Å; K170-M442 HydrophobicContact CB-SD 3.98Å; K170-Q445 VanDerWaalsContact NZ-NE2 3.19Å
171	P	89.9	Confident	93.4	Very high	11 Å²	11	15.9 Å²	15.9	7%	0.071	7%	0.074	C	C	.	.	G	3₁₀ helix	trans	-58.3	-28.4	-177.6	-29.9	36.4	0	0	0	113.9	F117 W173 Y433 R435 M442	F117-P171 HydrophobicContact CB-CG 3.91Å; F117-P171 HydrophobicContact CD2-CG 3.46Å; F117-P171 VanDerWaalsContact CD2-CG 3.46Å; F117-P171 HydrophobicContact CE2-CG 4.16Å; F117-P171 HydrophobicContact CG-CG 3.81Å; P171-W173 VanDerWaalsContact C-N 3.3Å; P171-W173 PolarHBondContact O-N 2.82Å; P171-Y433 HydrophobicContact CB-CD1 4.07Å; P171-Y433 HydrophobicContact CB-CD2 3.56Å; P171-Y433 HydrophobicContact CB-CE2 4.25Å; P171-Y433 HydrophobicContact CB-CG 3.47Å; P171-Y433 VanDerWaalsContact CB-CG 3.47Å; P171-Y433 HydrophobicContact CG-CD2 3.59Å; P171-Y433 HydrophobicContact CG-CE2 4.32Å; P171-Y433 HydrophobicContact CG-CG 3.96Å; P171-R435 HydrophobicContact CB-CB 4.13Å; P171-R435 PolarHBondContact O-NE 2.78Å; P171-R435 PolarHBondContact O-NH1 3.11Å; P171-R435 PolarHBondContact O-NH2 3.27Å; P171-M442 HydrophobicContact CG-SD 3.8Å
172	T	87.4	Confident	93.4	Very high	30 Å²	30	16 Å²	16	18%	0.184	7%	0.074	C	C	.	.	G	3₁₀ helix	trans	-85.7	0.4	-177.8	68.1	0	0	0	0	113.9	R100 D169 K170 Y433	R100-T172 PolarHBondContact NH1-O 3.16Å; D169-T172 PolarHBondContact O-N 3.17Å; D169-T172 PolarHBondContact O-OG1 2.92Å; K170-T172 PolarHBondContact O-N 2.81Å; K170-T172 VanDerWaalsContact O-N 3.14Å; T172-Y433 HydrophobicContact CG2-CE1 3.87Å; T172-Y433 HydrophobicContact CG2-CE2 4.47Å
173	W	85.8	Confident	93.4	Very high	8 Å²	8	15.7 Å²	15.7	3%	0.03	7%	0.073	C	C	.	.			trans	-84.7	155.6	-176.9	-57.3	2.4	0	0	0	111.8	L119 F166 L167 D169 K170 P171 L393 Y394 R435	L119-W173 HydrophobicContact CB-CH2 3.86Å; L119-W173 HydrophobicContact CD1-CH2 4.37Å; L119-W173 HydrophobicContact CD2-CH2 4.06Å; L119-W173 HydrophobicContact CG-CH2 4.31Å; F166-W173 VanDerWaalsContact C-CE2 3.47Å; F166-W173 VanDerWaalsContact C-NE1 3.32Å; F166-W173 AromaticContact CD1-CD2 3.98Å; F166-W173 HydrophobicContact CD1-CD2 3.98Å; F166-W173 AromaticContact CD1-CE2 3.72Å; F166-W173 HydrophobicContact CD1-CE3 4.14Å; F166-W173 AromaticContact CD1-CH2 3.8Å; F166-W173 HydrophobicContact CD1-CH2 3.8Å; F166-W173 AromaticContact CD1-CZ2 3.74Å; F166-W173 HydrophobicContact CD1-CZ2 3.74Å; F166-W173 HydrophobicContact CD1-CZ3 4Å; F166-W173 AromaticContact CD2-CD1 3.99Å; F166-W173 HydrophobicContact CD2-CD2 4.1Å; F166-W173 HydrophobicContact CD2-CG 4.06Å; F166-W173 AromaticContact CE1-CD2 3.64Å; F166-W173 HydrophobicContact CE1-CD2 3.64Å; F166-W173 AromaticContact CE1-CE2 3.85Å; F166-W173 AromaticContact CE1-CE3 3.41Å; F166-W173 HydrophobicContact CE1-CE3 3.41Å; F166-W173 VanDerWaalsContact CE1-CE3 3.41Å; F166-W173 HydrophobicContact CE1-CG 4.49Å; F166-W173 AromaticContact CE1-CH2 3.63Å; F166-W173 HydrophobicContact CE1-CH2 3.63Å; F166-W173 AromaticContact CE1-CZ2 3.95Å; F166-W173 HydrophobicContact CE1-CZ2 3.95Å; F166-W173 AromaticContact CE1-CZ3 3.35Å; F166-W173 HydrophobicContact CE1-CZ3 3.35Å; F166-W173 HydrophobicContact CE2-CB 4.15Å; F166-W173 AromaticContact CE2-CD2 3.77Å; F166-W173 HydrophobicContact CE2-CD2 3.77Å; F166-W173 HydrophobicContact CE2-CE3 4.1Å; F166-W173 AromaticContact CE2-CG 3.76Å; F166-W173 HydrophobicContact CE2-CG 3.76Å; F166-W173 HydrophobicContact CG-CD2 4.2Å; F166-W173 AromaticContact CG-CE2 3.9Å; F166-W173 HydrophobicContact CG-CZ2 4.29Å; F166-W173 AromaticContact CG-NE1 3.98Å; F166-W173 HydrophobicContact CZ-CB 4.45Å; F166-W173 AromaticContact CZ-CD2 3.53Å; F166-W173 HydrophobicContact CZ-CD2 3.53Å; F166-W173 AromaticContact CZ-CE3 3.38Å; F166-W173 HydrophobicContact CZ-CE3 3.38Å; F166-W173 AromaticContact CZ-CG 4Å; F166-W173 HydrophobicContact CZ-CG 4Å; F166-W173 HydrophobicContact CZ-CH2 4.44Å; F166-W173 AromaticContact CZ-CZ3 3.83Å; F166-W173 HydrophobicContact CZ-CZ3 3.83Å; F166-W173 WeakPolarHBondContact O-CZ2 3.21Å; F166-W173 PolarHBondContact O-NE1 3.31Å; L167-W173 HydrophobicContact CD2-CH2 4.34Å; D169-W173 VanDerWaalsContact C-NE1 3.31Å; D169-W173 PolarHBondContact O-NE1 2.94Å; K170-W173 VanDerWaalsContact CA-CE2 3.45Å; K170-W173 HydrophobicContact CB-CD2 4.42Å; K170-W173 HydrophobicContact CB-CZ2 4.27Å; K170-W173 HydrophobicContact CG-CD2 4.38Å; K170-W173 HydrophobicContact CG-CE3 4.29Å; K170-W173 HydrophobicContact CG-CH2 3.61Å; K170-W173 HydrophobicContact CG-CZ2 3.55Å; K170-W173 HydrophobicContact CG-CZ3 3.98Å; K170-W173 WeakPolarHBondContact O-CB 3.47Å; K170-W173 PolarHBondContact O-N 2.91Å; K170-W173 VanDerWaalsContact O-N 3.1Å; P171-W173 VanDerWaalsContact C-N 3.3Å; P171-W173 PolarHBondContact O-N 2.82Å; W173-L393 HydrophobicContact CZ3-CD2 3.86Å; W173-Y394 WeakPolarHBondContact O-CE1 3.08Å; W173-R435 VanDerWaalsContact O-CZ 3.23Å; W173-R435 PolarHBondContact O-NH1 2.59Å; W173-R435 PolarHBondContact O-NH2 3.44Å
174	N	88.6	Confident	93.4	Very high	28 Å²	28	12.9 Å²	12.9	15%	0.15	6%	0.062	C	C	.	.			trans	-150.2	178.4	162.2	58.9	32.1	0	0	0	109.5	H176 S177 Y178 Y394	N174-H176 PolarHBondContact O-N 2.86Å; N174-H176 VanDerWaalsContact O-N 3.15Å; N174-H176 WeakPolarHBondContact OD1-CA 3.48Å; N174-H176 WeakPolarHBondContact OD1-CB 3.44Å; N174-H176 PolarHBondContact OD1-N 3.49Å; N174-S177 PolarHBondContact N-OG 2.89Å; N174-S177 VanDerWaalsContact N-OG 3.14Å; N174-S177 WeakPolarHBondContact O-CB 3.32Å; N174-S177 PolarHBondContact O-N 2.99Å; N174-S177 VanDerWaalsContact O-N 3.13Å; N174-S177 PolarHBondContact OD1-N 3.5Å; N174-S177 PolarHBondContact OD1-OG 2.85Å; N174-Y178 PolarHBondContact O-N 3.03Å; N174-Y394 HydrophobicContact CB-CE1 4.12Å
175	N	91.3	Very high	93.5	Very high	5 Å²	5	12.1 Å²	12.1	3%	0.027	6%	0.064	C	C	.	.	H	α-helix	trans	-54.5	-33.6	178.2	-67.6	-71	0	0	0	112.8	Y178 L179 G395 W398 D399 M400	N175-Y178 PolarHBondContact O-N 2.85Å; N175-L179 PolarHBondContact O-N 2.99Å; N175-G395 VanDerWaalsContact CA-O 3.31Å; N175-G395 WeakPolarHBondContact CA-O 3.01Å; N175-G395 PolarHBondContact OD1-O 3.21Å; N175-W398 HydrophobicContact CB-CE3 4.23Å; N175-W398 WeakPolarHBondContact O-CZ3 3.37Å; N175-W398 WeakPolarHBondContact OD1-CA 3.42Å; N175-W398 PolarHBondContact OD1-N 3.34Å; N175-D399 PolarHBondContact ND2-O 3.17Å; N175-M400 HydrophobicContact CB-CG 3.86Å; N175-M400 HydrophobicContact CB-SD 4.37Å
176	H	91.6	Very high	93.6	Very high	15 Å²	15	12.3 Å²	12.3	7%	0.069	7%	0.065	C	C	.	.	H	α-helix	trans	-75.8	-36.2	-178.4	-44.4	145.5	0	0	0	112	N174 Y178 L179 F180 F314 M400	N174-H176 PolarHBondContact O-N 2.86Å; N174-H176 VanDerWaalsContact O-N 3.15Å; N174-H176 WeakPolarHBondContact OD1-CA 3.48Å; N174-H176 WeakPolarHBondContact OD1-CB 3.44Å; N174-H176 PolarHBondContact OD1-N 3.49Å; H176-Y178 VanDerWaalsContact C-N 3.29Å; H176-Y178 PolarHBondContact O-N 2.81Å; H176-L179 WeakPolarHBondContact O-CB 3.43Å; H176-L179 PolarHBondContact O-N 3.03Å; H176-F180 HydrophobicContact CB-CZ 4.24Å; H176-F180 WeakPolarHBondContact O-CD1 3.19Å; H176-F180 WeakPolarHBondContact O-CG 3.26Å; H176-F180 PolarHBondContact O-N 2.81Å; H176-F314 HydrophobicContact CB-CB 3.84Å; H176-F314 HydrophobicContact CB-CD2 3.92Å; H176-F314 HydrophobicContact CB-CG 4.14Å; H176-F314 AromaticContact CD2-CD1 3.76Å; H176-F314 AromaticContact CD2-CD2 3.08Å; H176-F314 WeakPolarHBondContact CD2-CD2 3.16Å; H176-F314 AromaticContact CD2-CE2 3.37Å; H176-F314 WeakPolarHBondContact CD2-CE2 3.33Å; H176-F314 AromaticContact CD2-CG 3.27Å; H176-F314 WeakPolarHBondContact CD2-CG 3.18Å; H176-F314 AromaticContact CD2-CZ 3.84Å; H176-F314 AromaticContact CE1-CD1 3.55Å; H176-F314 AromaticContact CE1-CG 3.56Å; H176-F314 AromaticContact CG-CD2 3.44Å; H176-F314 VanDerWaalsContact CG-CD2 3.44Å; H176-F314 AromaticContact CG-CG 3.4Å; H176-F314 VanDerWaalsContact ND1-CB 3.33Å; H176-F314 WeakPolarHBondContact ND1-CB 3.07Å; H176-F314 AromaticContact ND1-CG 3.57Å; H176-F314 AromaticContact NE2-CD1 3.38Å; H176-F314 WeakPolarHBondContact NE2-CD1 3.1Å; H176-F314 AromaticContact NE2-CD2 3.65Å; H176-F314 AromaticContact NE2-CE1 3.55Å; H176-F314 AromaticContact NE2-CE2 3.79Å; H176-F314 AromaticContact NE2-CG 3.41Å; H176-F314 WeakPolarHBondContact NE2-CG 3.38Å; H176-F314 AromaticContact NE2-CZ 3.75Å; H176-M400 PolarHBondContact NE2-SD 3.27Å; H176-M400 VanDerWaalsContact NE2-SD 3.45Å
177	S	92.8	Very high	93.8	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-57.9	-46.5	172.7	-48.2	0	0	0	0	109.9	R100 Y162 N174 L179 F180 G181	R100-S177 PolarHBondContact NH1-OG 3.33Å; R100-S177 VanDerWaalsContact NH1-OG 3.11Å; R100-S177 PolarHBondContact NH2-OG 3.15Å; Y162-S177 WeakPolarHBondContact OH-CA 3.3Å; Y162-S177 PolarHBondContact OH-O 3.3Å; N174-S177 PolarHBondContact N-OG 2.89Å; N174-S177 VanDerWaalsContact N-OG 3.14Å; N174-S177 WeakPolarHBondContact O-CB 3.32Å; N174-S177 PolarHBondContact O-N 2.99Å; N174-S177 VanDerWaalsContact O-N 3.13Å; N174-S177 PolarHBondContact OD1-N 3.5Å; N174-S177 PolarHBondContact OD1-OG 2.85Å; S177-L179 PolarHBondContact O-N 2.98Å; S177-F180 PolarHBondContact O-N 2.73Å; S177-G181 PolarHBondContact O-N 2.85Å; S177-G181 VanDerWaalsContact O-N 3.15Å
178	Y	94.6	Very high	93.9	Very high	27 Å²	27	10.6 Å²	10.6	11%	0.106	6%	0.057	C	C	.	.	H	α-helix	trans	-63.5	-44.1	175.7	-179.3	-123.6	0	0	0	111.9	W163 F166 N174 N175 H176 F180 G181 L182 Q373 G395 W398	W163-Y178 AromaticContact CH2-CD2 3.8Å; W163-Y178 HydrophobicContact CH2-CD2 3.8Å; W163-Y178 AromaticContact CH2-CE2 3.92Å; W163-Y178 HydrophobicContact CH2-CE2 3.92Å; W163-Y178 HydrophobicContact CZ3-CD2 4.26Å; F166-Y178 HydrophobicContact CZ-CD2 4.33Å; N174-Y178 PolarHBondContact O-N 3.03Å; N175-Y178 PolarHBondContact O-N 2.85Å; H176-Y178 VanDerWaalsContact C-N 3.29Å; H176-Y178 PolarHBondContact O-N 2.81Å; Y178-F180 PolarHBondContact O-N 3.43Å; Y178-G181 PolarHBondContact O-N 3.48Å; Y178-L182 HydrophobicContact CD1-CD1 4.02Å; Y178-L182 HydrophobicContact CD2-CG 4.34Å; Y178-L182 HydrophobicContact CE1-CD1 3.52Å; Y178-L182 HydrophobicContact CE1-CG 4.21Å; Y178-L182 HydrophobicContact CE2-CD1 4.16Å; Y178-L182 HydrophobicContact CE2-CD2 4Å; Y178-L182 HydrophobicContact CE2-CG 3.95Å; Y178-L182 WeakPolarHBondContact O-CG 3.46Å; Y178-L182 PolarHBondContact O-N 3.22Å; Y178-Q373 PolarHBondContact OH-NE2 3.29Å; Y178-G395 VanDerWaalsContact CB-O 3.26Å; Y178-G395 WeakPolarHBondContact CB-O 2.99Å; Y178-W398 AromaticContact CD1-CH2 3.62Å; Y178-W398 HydrophobicContact CD1-CH2 3.62Å; Y178-W398 AromaticContact CD1-CZ2 3.82Å; Y178-W398 HydrophobicContact CD1-CZ2 3.82Å; Y178-W398 HydrophobicContact CD1-CZ3 4.27Å; Y178-W398 HydrophobicContact CE1-CH2 4.01Å; Y178-W398 AromaticContact CE1-CZ2 3.75Å; Y178-W398 HydrophobicContact CE1-CZ2 3.75Å
179	L	95.8	Very high	94	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-57	-45.4	176.5	-178.8	65.5	0	0	0	112.7	N175 H176 S177 L182 V183 Q221 F222 L225 F314 W398	N175-L179 PolarHBondContact O-N 2.99Å; H176-L179 WeakPolarHBondContact O-CB 3.43Å; H176-L179 PolarHBondContact O-N 3.03Å; S177-L179 PolarHBondContact O-N 2.98Å; L179-L182 WeakPolarHBondContact O-CB 3.3Å; L179-L182 PolarHBondContact O-N 2.95Å; L179-V183 HydrophobicContact CD1-CG2 4.12Å; L179-V183 HydrophobicContact CG-CG2 4.28Å; L179-V183 WeakPolarHBondContact O-CG2 3.26Å; L179-V183 PolarHBondContact O-N 2.92Å; L179-Q221 HydrophobicContact CD1-CG 3.87Å; L179-F222 HydrophobicContact CD2-CD1 4.46Å; L179-F222 HydrophobicContact CD2-CE1 3.97Å; L179-L225 HydrophobicContact CD2-CD1 4.27Å; L179-L225 HydrophobicContact CD2-CD2 3.73Å; L179-F314 HydrophobicContact CD2-CD2 4.14Å; L179-F314 HydrophobicContact CD2-CE2 3.89Å; L179-W398 HydrophobicContact CB-CH2 4.14Å; L179-W398 HydrophobicContact CB-CZ3 4.01Å; L179-W398 HydrophobicContact CD1-CH2 4.14Å; L179-W398 HydrophobicContact CD1-CZ3 4.42Å
180	F	96.6	Very high	94.2	Very high	3 Å²	3	16.8 Å²	16.8	1%	0.013	8%	0.083	C	C	.	.	H	α-helix	trans	-66.2	-43.2	-179.1	-60.1	-15	0	0	0	111	Y88 M92 D95 H176 S177 Y178 L182 V183 G184 M313 F314 V317	Y88-F180 PolarHBondContact OH-O 3.36Å; M92-F180 HydrophobicContact CE-CB 4.3Å; M92-F180 HydrophobicContact CE-CD1 4.18Å; M92-F180 HydrophobicContact CE-CD2 3.58Å; M92-F180 HydrophobicContact CE-CE1 4.43Å; M92-F180 HydrophobicContact CE-CE2 3.84Å; M92-F180 HydrophobicContact CE-CG 3.76Å; M92-F180 HydrophobicContact CE-CZ 4.25Å; M92-F180 HydrophobicContact SD-CB 3.93Å; M92-F180 HydrophobicContact SD-CD2 4.03Å; M92-F180 HydrophobicContact SD-CG 4.05Å; D95-F180 WeakPolarHBondContact OD1-CE2 3.18Å; H176-F180 HydrophobicContact CB-CZ 4.24Å; H176-F180 WeakPolarHBondContact O-CD1 3.19Å; H176-F180 WeakPolarHBondContact O-CG 3.26Å; H176-F180 PolarHBondContact O-N 2.81Å; S177-F180 PolarHBondContact O-N 2.73Å; Y178-F180 PolarHBondContact O-N 3.43Å; F180-L182 VanDerWaalsContact C-N 3.29Å; F180-L182 PolarHBondContact O-N 3.16Å; F180-V183 PolarHBondContact O-N 3.35Å; F180-G184 PolarHBondContact O-N 3.25Å; F180-M313 HydrophobicContact CE2-CB 4.28Å; F180-M313 HydrophobicContact CZ-CB 4.26Å; F180-F314 HydrophobicContact CZ-CB 4.32Å; F180-V317 HydrophobicContact CD1-CG1 4.26Å; F180-V317 HydrophobicContact CD1-CG2 4.33Å; F180-V317 HydrophobicContact CE1-CB 3.76Å; F180-V317 HydrophobicContact CE1-CG1 3.83Å; F180-V317 HydrophobicContact CE1-CG2 3.62Å; F180-V317 HydrophobicContact CZ-CB 4.3Å; F180-V317 HydrophobicContact CZ-CG2 3.88Å
181	G	96.6	Very high	94.4	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-54.9	-44.7	170.9	0	0	0	0	0	112.5	W163 S177 Y178 T185	W163-G181 VanDerWaalsContact CZ2-C 3.4Å; S177-G181 PolarHBondContact O-N 2.85Å; S177-G181 VanDerWaalsContact O-N 3.15Å; Y178-G181 PolarHBondContact O-N 3.48Å; G181-T185 WeakPolarHBondContact O-CB 3.44Å; G181-T185 PolarHBondContact O-N 2.91Å; G181-T185 PolarHBondContact O-OG1 3.34Å
182	L	97.3	Very high	94.7	Very high	14 Å²	14	19 Å²	19	7%	0.073	9%	0.093	C	C	.	.	H	α-helix	trans	-64.3	-49.3	176.3	-71.5	-178.1	0	0	0	112.5	Y178 L179 F180 G184 T185 L186 W398	Y178-L182 HydrophobicContact CD1-CD1 4.02Å; Y178-L182 HydrophobicContact CD2-CG 4.34Å; Y178-L182 HydrophobicContact CE1-CD1 3.52Å; Y178-L182 HydrophobicContact CE1-CG 4.21Å; Y178-L182 HydrophobicContact CE2-CD1 4.16Å; Y178-L182 HydrophobicContact CE2-CD2 4Å; Y178-L182 HydrophobicContact CE2-CG 3.95Å; Y178-L182 WeakPolarHBondContact O-CG 3.46Å; Y178-L182 PolarHBondContact O-N 3.22Å; L179-L182 WeakPolarHBondContact O-CB 3.3Å; L179-L182 PolarHBondContact O-N 2.95Å; F180-L182 VanDerWaalsContact C-N 3.29Å; F180-L182 PolarHBondContact O-N 3.16Å; L182-G184 PolarHBondContact O-N 3.08Å; L182-T185 CarbonylContact O-C 3.53Å; L182-T185 WeakPolarHBondContact O-CB 3.23Å; L182-T185 PolarHBondContact O-N 3.11Å; L182-T185 VanDerWaalsContact O-N 3.12Å; L182-L186 WeakPolarHBondContact O-CG 3.49Å; L182-L186 PolarHBondContact O-N 3.47Å; L182-W398 HydrophobicContact CD1-CH2 4.14Å; L182-W398 HydrophobicContact CD1-CZ2 4.12Å
183	V	98.1	Very high	95	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-62	-44.8	-179.5	170.7	0	0	0	0	110.7	F84 Y88 L179 F180 T185 L186 L187 F222	F84-V183 HydrophobicContact CE1-CG1 3.97Å; F84-V183 HydrophobicContact CZ-CG1 3.78Å; Y88-V183 HydrophobicContact CD2-CG1 3.66Å; Y88-V183 HydrophobicContact CE1-CG1 4.46Å; Y88-V183 HydrophobicContact CE2-CB 3.86Å; Y88-V183 HydrophobicContact CE2-CG1 3.45Å; Y88-V183 VanDerWaalsContact CE2-CG1 3.45Å; Y88-V183 HydrophobicContact CG-CG1 4.25Å; L179-V183 HydrophobicContact CD1-CG2 4.12Å; L179-V183 HydrophobicContact CG-CG2 4.28Å; L179-V183 WeakPolarHBondContact O-CG2 3.26Å; L179-V183 PolarHBondContact O-N 2.92Å; F180-V183 PolarHBondContact O-N 3.35Å; V183-T185 VanDerWaalsContact C-N 3.29Å; V183-T185 PolarHBondContact O-N 2.98Å; V183-L186 PolarHBondContact O-N 3.21Å; V183-L187 HydrophobicContact CG1-CD1 4.17Å; V183-L187 HydrophobicContact CG1-CG 4.41Å; V183-L187 WeakPolarHBondContact O-CB 3.4Å; V183-L187 WeakPolarHBondContact O-CG 3.15Å; V183-L187 PolarHBondContact O-N 3.01Å; V183-F222 HydrophobicContact CG2-CE2 3.87Å; V183-F222 HydrophobicContact CG2-CZ 4.11Å
184	G	97.7	Very high	95.2	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-58.2	-42.9	173.3	0	0	0	0	0	111.9	Y88 F180 L182 L187 L188	Y88-G184 PolarHBondContact OH-N 3.46Å; F180-G184 PolarHBondContact O-N 3.25Å; L182-G184 PolarHBondContact O-N 3.08Å; G184-L187 PolarHBondContact O-N 2.99Å; G184-L188 PolarHBondContact O-N 3.5Å; G184-L188 VanDerWaalsContact O-N 3.1Å
185	T	98	Very high	95.4	Very high	42 Å²	42	19.7 Å²	19.7	26%	0.258	9%	0.093	S	C	.	.	H	α-helix	trans	-64.5	-41.1	177.8	-57.4	0	0	0	0	111.4	W163 G181 L182 V183 L188 F189	W163-T185 PolarHBondContact NE1-OG1 3.28Å; W163-T185 VanDerWaalsContact NE1-OG1 3.11Å; G181-T185 WeakPolarHBondContact O-CB 3.44Å; G181-T185 PolarHBondContact O-N 2.91Å; G181-T185 PolarHBondContact O-OG1 3.34Å; L182-T185 CarbonylContact O-C 3.53Å; L182-T185 WeakPolarHBondContact O-CB 3.23Å; L182-T185 PolarHBondContact O-N 3.11Å; L182-T185 VanDerWaalsContact O-N 3.12Å; V183-T185 VanDerWaalsContact C-N 3.29Å; V183-T185 PolarHBondContact O-N 2.98Å; T185-L188 WeakPolarHBondContact O-CB 3.46Å; T185-F189 HydrophobicContact CG2-CE2 4.12Å; T185-F189 WeakPolarHBondContact O-CD2 3.32Å; T185-F189 WeakPolarHBondContact O-CE2 3.41Å
186	L	97.8	Very high	95.4	Very high	10 Å²	10	22.3 Å²	22.3	5%	0.052	11%	0.111	C	C	.	.	H	α-helix	trans	-63.9	-46.3	174.3	-69.2	178.3	0	0	0	110.9	L182 V183 L188 F189 T190 L217 I218 Q221 Y369	L182-L186 WeakPolarHBondContact O-CG 3.49Å; L182-L186 PolarHBondContact O-N 3.47Å; V183-L186 PolarHBondContact O-N 3.21Å; L186-L188 VanDerWaalsContact C-N 3.27Å; L186-L188 PolarHBondContact O-N 3.34Å; L186-F189 PolarHBondContact O-N 2.84Å; L186-T190 WeakPolarHBondContact O-CG2 3.29Å; L186-T190 PolarHBondContact O-N 2.64Å; L186-L217 HydrophobicContact CD1-CB 4.47Å; L186-L217 HydrophobicContact CD2-CB 4.26Å; L186-L217 HydrophobicContact CD2-CD1 4.28Å; L186-L217 HydrophobicContact CD2-CD2 4.28Å; L186-I218 HydrophobicContact CB-CD1 3.66Å; L186-I218 HydrophobicContact CD1-CD1 3.98Å; L186-Q221 HydrophobicContact CD1-CB 3.89Å; L186-Q221 HydrophobicContact CD1-CG 4.27Å; L186-Y369 HydrophobicContact CD1-CE1 4.3Å; L186-Y369 HydrophobicContact CD2-CD1 4.44Å; L186-Y369 HydrophobicContact CD2-CE1 3.86Å; L186-Y369 HydrophobicContact CD2-CE2 4.27Å
187	L	97.9	Very high	95.5	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-56.4	-39.1	179.8	-79.9	176	0	0	0	112.4	F84 Y88 F151 V183 G184 F189 T190 A192	F84-L187 HydrophobicContact CD1-CD2 4.37Å; F84-L187 HydrophobicContact CE1-CD1 4.45Å; F84-L187 HydrophobicContact CE1-CD2 4.26Å; Y88-L187 HydrophobicContact CD1-CD1 3.46Å; Y88-L187 VanDerWaalsContact CD1-CD1 3.46Å; Y88-L187 HydrophobicContact CE1-CD1 3.83Å; Y88-L187 HydrophobicContact CG-CD1 4.03Å; F151-L187 VanDerWaalsContact CE1-O 3.26Å; F151-L187 WeakPolarHBondContact CE1-O 3.31Å; F151-L187 HydrophobicContact CZ-CB 4.15Å; F151-L187 HydrophobicContact CZ-CD2 4.44Å; V183-L187 HydrophobicContact CG1-CD1 4.17Å; V183-L187 HydrophobicContact CG1-CG 4.41Å; V183-L187 WeakPolarHBondContact O-CB 3.4Å; V183-L187 WeakPolarHBondContact O-CG 3.15Å; V183-L187 PolarHBondContact O-N 3.01Å; G184-L187 PolarHBondContact O-N 2.99Å; L187-F189 PolarHBondContact O-N 3.08Å; L187-F189 VanDerWaalsContact O-N 3.15Å; L187-T190 WeakPolarHBondContact CA-OG1 3.46Å; L187-T190 PolarHBondContact O-N 3.05Å; L187-T190 PolarHBondContact O-OG1 3.24Å; L187-A192 HydrophobicContact CD2-CB 3.98Å
188	L	97.8	Very high	95.6	Very high	25 Å²	25	25.1 Å²	25.1	13%	0.131	13%	0.127	C	C	.	.	H	α-helix	trans	-50.4	-38.9	174.8	173.3	63.4	0	0	0	112.8	R152 C155 L156 L159 G184 T185 L186	R152-L188 HydrophobicContact CB-CD1 4.2Å; R152-L188 WeakPolarHBondContact O-CD1 3.36Å; C155-L188 HydrophobicContact CB-CB 3.88Å; C155-L188 HydrophobicContact CB-CD1 3.66Å; C155-L188 HydrophobicContact CB-CG 4.37Å; L156-L188 HydrophobicContact CD2-CD1 4.08Å; L156-L188 HydrophobicContact CD2-CD2 3.73Å; L156-L188 HydrophobicContact CG-CD1 3.85Å; L156-L188 HydrophobicContact CG-CD2 4.43Å; L159-L188 HydrophobicContact CD1-CB 3.95Å; L159-L188 HydrophobicContact CD1-CD2 3.98Å; G184-L188 PolarHBondContact O-N 3.5Å; G184-L188 VanDerWaalsContact O-N 3.1Å; T185-L188 WeakPolarHBondContact O-CB 3.46Å; L186-L188 VanDerWaalsContact C-N 3.27Å; L186-L188 PolarHBondContact O-N 3.34Å
189	F	96.4	Very high	95.5	Very high	129 Å²	129	24.8 Å²	24.8	57%	0.566	13%	0.127	S	C	*	.	H	α-helix	trans	-87.9	-17.3	-178.3	-61.4	-68.8	0	0	0	113.1	T185 L186 L187 W213	T185-F189 HydrophobicContact CG2-CE2 4.12Å; T185-F189 WeakPolarHBondContact O-CD2 3.32Å; T185-F189 WeakPolarHBondContact O-CE2 3.41Å; L186-F189 PolarHBondContact O-N 2.84Å; L187-F189 PolarHBondContact O-N 3.08Å; L187-F189 VanDerWaalsContact O-N 3.15Å; F189-W213 VanDerWaalsContact O-CH2 3.25Å; F189-W213 WeakPolarHBondContact O-CH2 3.18Å
190	T	95.6	Very high	95.1	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.133	C	C	.	.	S	Bend	trans	-76.2	176.5	179.7	69.3	0	0	0	0	113.7	L186 L187 A192 N214	L186-T190 WeakPolarHBondContact O-CG2 3.29Å; L186-T190 PolarHBondContact O-N 2.64Å; L187-T190 WeakPolarHBondContact CA-OG1 3.46Å; L187-T190 PolarHBondContact O-N 3.05Å; L187-T190 PolarHBondContact O-OG1 3.24Å; T190-A192 PolarHBondContact OG1-N 3.48Å; T190-N214 WeakPolarHBondContact CA-OD1 3.4Å; T190-N214 VanDerWaalsContact CB-OD1 3.27Å; T190-N214 WeakPolarHBondContact CB-OD1 3.27Å; T190-N214 HydrophobicContact CG2-CB 4.38Å
191	Q	95.3	Very high	94.8	Very high	63 Å²	63	35.1 Å²	35.1	29%	0.294	17%	0.167	S	C	.	.			trans	-110.3	40.7	172.1	-62.8	178.8	-8.4	0	0	110.7	E193 S194 I210 N214	Q191-E193 WeakPolarHBondContact CA-OE2 3.38Å; Q191-E193 PolarHBondContact O-N 3.45Å; Q191-S194 WeakPolarHBondContact O-CB 3.45Å; Q191-S194 PolarHBondContact O-N 2.99Å; Q191-S194 VanDerWaalsContact O-N 3.09Å; Q191-S194 PolarHBondContact O-OG 2.81Å; Q191-I210 HydrophobicContact CB-CB 4.28Å; Q191-I210 HydrophobicContact CB-CG2 3.74Å; Q191-N214 PolarHBondContact N-OD1 3.22Å
192	A	95.4	Very high	94.5	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-69	-14.2	-177.3	0	0	0	0	0	113.4	L81 G82 R85 F151 L187 T190 S194	L81-A192 HydrophobicContact CD1-CB 4.45Å; L81-A192 HydrophobicContact CD2-CB 3.94Å; L81-A192 HydrophobicContact CG-CB 3.73Å; G82-A192 WeakPolarHBondContact CA-O 3.3Å; R85-A192 HydrophobicContact CB-CB 3.79Å; R85-A192 HydrophobicContact CG-CB 3.96Å; F151-A192 HydrophobicContact CE1-CB 4Å; F151-A192 HydrophobicContact CZ-CB 3.76Å; L187-A192 HydrophobicContact CD2-CB 3.98Å; T190-A192 PolarHBondContact OG1-N 3.48Å; A192-S194 PolarHBondContact O-N 2.86Å
193	E	93.8	Very high	94	Very high	23 Å²	23	43.1 Å²	43.1	11%	0.107	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-70.2	-3.9	169.2	80.2	-75.9	-172.1	0	0	113.4	F151 Q191 Y195 S197	F151-E193 HydrophobicContact CB-CB 3.64Å; F151-E193 HydrophobicContact CB-CG 4.18Å; F151-E193 HydrophobicContact CD1-CB 4.03Å; F151-E193 HydrophobicContact CD1-CG 4.47Å; F151-E193 WeakPolarHBondContact CD1-OE2 3.4Å; F151-E193 HydrophobicContact CG-CB 3.85Å; Q191-E193 WeakPolarHBondContact CA-OE2 3.38Å; Q191-E193 PolarHBondContact O-N 3.45Å; E193-Y195 PolarHBondContact O-N 3.21Å; E193-S197 WeakPolarHBondContact O-CB 3.48Å; E193-S197 PolarHBondContact O-OG 3.29Å
194	S	90.1	Very high	93.3	Very high	10 Å²	10	47.7 Å²	47.7	7%	0.07	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-67.4	-10.9	-179.9	58.8	0	0	0	0	114.1	Q191 A192 R200 I210	Q191-S194 WeakPolarHBondContact O-CB 3.45Å; Q191-S194 PolarHBondContact O-N 2.99Å; Q191-S194 VanDerWaalsContact O-N 3.09Å; Q191-S194 PolarHBondContact O-OG 2.81Å; A192-S194 PolarHBondContact O-N 2.86Å; S194-R200 WeakPolarHBondContact O-CD 3.31Å; S194-R200 PolarHBondContact O-NH1 2.88Å; S194-I210 WeakPolarHBondContact OG-CG2 3.17Å
195	Y	92.2	Very high	92.3	Very high	47 Å²	47	59.8 Å²	59.8	18%	0.184	28%	0.284	C	S	.	.	S	Bend	trans	-147.9	151.2	176.3	-174.7	-106.1	0	0	0	112.7	A79 I83 E193 S197 P331 R332	A79-Y195 HydrophobicContact CB-CD1 3.88Å; A79-Y195 HydrophobicContact CB-CD2 4Å; A79-Y195 HydrophobicContact CB-CE1 4.06Å; A79-Y195 HydrophobicContact CB-CE2 4.16Å; A79-Y195 HydrophobicContact CB-CG 3.84Å; A79-Y195 VanDerWaalsContact O-CD1 3.27Å; A79-Y195 WeakPolarHBondContact O-CD1 3.39Å; I83-Y195 HydrophobicContact CD1-CD1 4.23Å; I83-Y195 HydrophobicContact CD1-CE1 3.84Å; I83-Y195 HydrophobicContact CG1-CD1 4.24Å; I83-Y195 HydrophobicContact CG1-CE1 4.03Å; E193-Y195 PolarHBondContact O-N 3.21Å; Y195-S197 VanDerWaalsContact C-N 3.28Å; Y195-S197 PolarHBondContact O-N 3.48Å; Y195-P331 HydrophobicContact CE1-CB 3.8Å; Y195-P331 HydrophobicContact CE1-CG 4.45Å; Y195-R332 VanDerWaalsContact CD2-CZ 3.49Å; Y195-R332 VanDerWaalsContact CD2-NH2 3.33Å; Y195-R332 HydrophobicContact CE2-CG 4.02Å; Y195-R332 VanDerWaalsContact CE2-NH1 3.31Å
196	C	91.9	Very high	91.3	Very high	61 Å²	61	61.9 Å²	61.9	41%	0.412	29%	0.29	S	S	.	.	S	Bend	trans	45.3	52.2	-179.6	-163.3	0	0	0	0	111.7	I83 R85 L86	I83-C196 HydrophobicContact CD1-CB 4.33Å; R85-C196 PolarHBondContact NH2-O 2.86Å; L86-C196 VanDerWaalsContact CD1-SG 3.57Å
197	S	94.6	Very high	90.4	Very high	13 Å²	13	65.2 Å²	65.2	9%	0.091	31%	0.314	C	S	.	.			trans	-135.8	150.3	-174.5	75.2	0	0	0	0	112	L147 E193 Y195 D199 R200 W201	L147-S197 CarbonylContact O-C 3.48Å; L147-S197 VanDerWaalsContact O-CA 3.26Å; L147-S197 WeakPolarHBondContact O-CA 3.1Å; E193-S197 WeakPolarHBondContact O-CB 3.48Å; E193-S197 PolarHBondContact O-OG 3.29Å; Y195-S197 VanDerWaalsContact C-N 3.28Å; Y195-S197 PolarHBondContact O-N 3.48Å; S197-D199 VanDerWaalsContact C-N 3.35Å; S197-R200 PolarHBondContact O-N 2.96Å; S197-R200 WeakPolarHBondContact OG-CB 2.79Å; S197-R200 PolarHBondContact OG-N 3.07Å; S197-R200 VanDerWaalsContact OG-N 3.14Å; S197-W201 PolarHBondContact O-N 2.86Å
198	L	93.9	Very high	89.6	Confident	60 Å²	60	69.3 Å²	69.3	31%	0.314	33%	0.333	S	S	.	.	H	α-helix	trans	-67.5	-37.3	175.4	-163	68.2	0	0	0	111.2	L147 Y149 R200 W201 L202	L147-L198 PolarHBondContact O-N 2.7Å; Y149-L198 HydrophobicContact CD2-CB 4.42Å; Y149-L198 HydrophobicContact CD2-CD2 3.67Å; Y149-L198 HydrophobicContact CD2-CG 4.29Å; Y149-L198 HydrophobicContact CE2-CD2 4.37Å; Y149-L198 HydrophobicContact CG-CD2 3.96Å; L198-R200 PolarHBondContact O-N 2.98Å; L198-W201 HydrophobicContact CD1-CD2 4.27Å; L198-W201 HydrophobicContact CD1-CE3 3.37Å; L198-W201 HydrophobicContact CD1-CZ3 3.83Å; L198-W201 HydrophobicContact CG-CE3 4.31Å; L198-W201 PolarHBondContact O-N 3.4Å; L198-W201 VanDerWaalsContact O-N 3.15Å; L198-L202 HydrophobicContact CG-CD1 4.1Å; L198-L202 HydrophobicContact CG-CG 4.36Å; L198-L202 WeakPolarHBondContact O-CB 3.46Å; L198-L202 VanDerWaalsContact O-CG 3.3Å; L198-L202 WeakPolarHBondContact O-CG 3.42Å; L198-L202 PolarHBondContact O-N 2.99Å
199	D	92.4	Very high	89.2	Confident	20 Å²	20	71 Å²	71	11%	0.107	35%	0.346	C	S	.	.	H	α-helix	trans	-58.8	-35.4	176.5	-80.2	-1.4	0	0	0	112.7	G148 Y149 R150 F151 S197 N203	G148-D199 WeakPolarHBondContact O-CB 3.14Å; G148-D199 PolarHBondContact O-N 2.83Å; G148-D199 VanDerWaalsContact O-N 3.13Å; Y149-D199 WeakPolarHBondContact CA-OD1 3.41Å; R150-D199 WeakPolarHBondContact CA-OD2 3.38Å; R150-D199 VanDerWaalsContact N-CG 3.25Å; R150-D199 PolarHBondContact N-OD1 3.1Å; R150-D199 PolarHBondContact N-OD2 3.4Å; R150-D199 VanDerWaalsContact N-OD2 3.16Å; F151-D199 PolarHBondContact N-OD2 3.4Å; F151-D199 VanDerWaalsContact N-OD2 3.09Å; S197-D199 VanDerWaalsContact C-N 3.35Å; D199-N203 WeakPolarHBondContact O-CB 3.47Å; D199-N203 PolarHBondContact O-N 3.31Å; D199-N203 PolarHBondContact O-ND2 3.1Å
200	R	88.3	Confident	89.1	Confident	34 Å²	34	65 Å²	65	13%	0.128	32%	0.32	C	S	.	.	H	α-helix	trans	-77.4	-40.1	175.8	178.1	170.2	177.2	121	27	112.1	S194 S197 L198 L202 N203 P204 H208	S194-R200 WeakPolarHBondContact O-CD 3.31Å; S194-R200 PolarHBondContact O-NH1 2.88Å; S197-R200 PolarHBondContact O-N 2.96Å; S197-R200 WeakPolarHBondContact OG-CB 2.79Å; S197-R200 PolarHBondContact OG-N 3.07Å; S197-R200 VanDerWaalsContact OG-N 3.14Å; L198-R200 PolarHBondContact O-N 2.98Å; R200-L202 VanDerWaalsContact C-N 3.28Å; R200-L202 PolarHBondContact O-N 3.48Å; R200-N203 CarbonylContact O-C 3.07Å; R200-N203 PolarHBondContact O-N 3.25Å; R200-P204 WeakPolarHBondContact O-CA 3.29Å; R200-H208 PolarHBondContact NH2-CD2 3.33Å; R200-H208 PolarHBondContact NH2-CE1 3.42Å; R200-H208 PolarHBondContact NH2-ND1 3.38Å; R200-H208 VanDerWaalsContact NH2-ND1 3.18Å; R200-H208 PolarHBondContact NH2-NE2 3.02Å
201	W	89.2	Confident	89.1	Confident	187 Å²	187	66.3 Å²	66.3	71%	0.708	33%	0.328	S	S	*	.	H	α-helix	trans	-59.9	-41.9	174.8	178.4	68.8	0	0	0	111.3	S197 L198	S197-W201 PolarHBondContact O-N 2.86Å; L198-W201 HydrophobicContact CD1-CD2 4.27Å; L198-W201 HydrophobicContact CD1-CE3 3.37Å; L198-W201 HydrophobicContact CD1-CZ3 3.83Å; L198-W201 HydrophobicContact CG-CE3 4.31Å; L198-W201 PolarHBondContact O-N 3.4Å; L198-W201 VanDerWaalsContact O-N 3.15Å
202	L	90.5	Very high	89.1	Confident	91 Å²	91	64.2 Å²	64.2	48%	0.476	32%	0.318	S	S	.	.	H	α-helix	trans	-72.8	-29	175.3	-65.4	172.2	0	0	0	113.2	Y149 L198 R200	Y149-L202 HydrophobicContact CD2-CD1 4.45Å; Y149-L202 HydrophobicContact CE2-CD1 4.25Å; L198-L202 HydrophobicContact CG-CD1 4.1Å; L198-L202 HydrophobicContact CG-CG 4.36Å; L198-L202 WeakPolarHBondContact O-CB 3.46Å; L198-L202 VanDerWaalsContact O-CG 3.3Å; L198-L202 WeakPolarHBondContact O-CG 3.42Å; L198-L202 PolarHBondContact O-N 2.99Å; R200-L202 VanDerWaalsContact C-N 3.28Å; R200-L202 PolarHBondContact O-N 3.48Å
203	N	86.7	Confident	89.1	Confident	90 Å²	90	65 Å²	65	48%	0.481	32%	0.321	S	S	.	.			trans	-127.9	78	178.5	-61.4	-71.5	0	0	0	112.6	D199 R200 R205 K206	D199-N203 WeakPolarHBondContact O-CB 3.47Å; D199-N203 PolarHBondContact O-N 3.31Å; D199-N203 PolarHBondContact O-ND2 3.1Å; R200-N203 CarbonylContact O-C 3.07Å; R200-N203 PolarHBondContact O-N 3.25Å; N203-R205 PolarHBondContact O-N 2.74Å; N203-R205 VanDerWaalsContact O-N 3.08Å; N203-K206 PolarHBondContact O-N 3.24Å
204	P	83	Confident	89.3	Confident	96 Å²	96	63.9 Å²	63.9	62%	0.623	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-16	-172.9	-24.1	34.7	0	0	0	115.5	R200 K206	R200-P204 WeakPolarHBondContact O-CA 3.29Å; P204-K206 VanDerWaalsContact C-N 3.25Å; P204-K206 PolarHBondContact O-N 3.29Å
205	R	77.9	Confident	89.6	Confident	254 Å²	254	63.4 Å²	63.4	96%	0.958	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-5.5	-176.5	-63.3	-177.3	-177.4	174.4	0.9	114.4	N203	N203-R205 PolarHBondContact O-N 2.74Å; N203-R205 VanDerWaalsContact O-N 3.08Å
206	K	77.3	Confident	89.8	Confident	87 Å²	87	63 Å²	63	38%	0.378	31%	0.311	S	S	.	.	S	Bend	trans	-69.3	141.3	179.2	-71.9	-174.8	176.9	-178.9	0	111.4	N203 P204	N203-K206 PolarHBondContact O-N 3.24Å; P204-K206 VanDerWaalsContact C-N 3.25Å; P204-K206 PolarHBondContact O-N 3.29Å
207	S	78.3	Confident	90	Very high	80 Å²	80	60.7 Å²	60.7	56%	0.559	30%	0.295	S	S	*	.			trans	-57.9	146.6	178	-177.3	0	0	0	0	112.2	C209	S207-C209 PolarHBondContact OG-N 2.83Å; S207-C209 VanDerWaalsContact OG-N 3.09Å; S207-C209 PolarHBondContact OG-O 3.05Å
208	H	81	Confident	90.1	Very high	85 Å²	85	60 Å²	60	39%	0.394	29%	0.291	S	S	.	.	S	Bend	trans	-78.6	-23.7	170.4	-66.7	-109.6	0	0	0	112.8	G78 R200 R332	G78-H208 PolarHBondContact N-O 2.86Å; R200-H208 PolarHBondContact NH2-CD2 3.33Å; R200-H208 PolarHBondContact NH2-CE1 3.42Å; R200-H208 PolarHBondContact NH2-ND1 3.38Å; R200-H208 VanDerWaalsContact NH2-ND1 3.18Å; R200-H208 PolarHBondContact NH2-NE2 3.02Å; H208-R332 VanDerWaalsContact ND1-CZ 3.27Å; H208-R332 PolarHBondContact ND1-NH1 2.78Å; H208-R332 PolarHBondContact ND1-NH2 3.22Å; H208-R332 VanDerWaalsContact ND1-NH2 3.13Å
209	C	89.9	Confident	90.2	Very high	62 Å²	62	58.5 Å²	58.5	42%	0.419	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	131.3	-177	-67.2	0	0	0	0	110.5	P75 V76 S207	P75-C209 HydrophobicContact CB-CB 3.91Å; V76-C209 CarbonylContact O-C 3.5Å; V76-C209 VanDerWaalsContact O-CA 3.23Å; V76-C209 WeakPolarHBondContact O-CA 3.45Å; S207-C209 PolarHBondContact OG-N 2.83Å; S207-C209 VanDerWaalsContact OG-N 3.09Å; S207-C209 PolarHBondContact OG-O 3.05Å
210	I	94.1	Very high	90.4	Very high	3 Å²	3	59 Å²	59	2%	0.015	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	153.7	170.7	66	176	0	0	0	109.2	V76 L81 Q191 S194 N214 Y215	V76-I210 HydrophobicContact CG2-CG1 4.28Å; V76-I210 WeakPolarHBondContact CG2-O 3.31Å; V76-I210 PolarHBondContact N-O 3.11Å; V76-I210 PolarHBondContact O-N 2.55Å; V76-I210 VanDerWaalsContact O-O 3.1Å; L81-I210 HydrophobicContact CB-CD1 4.4Å; L81-I210 HydrophobicContact CD2-CD1 3.55Å; Q191-I210 HydrophobicContact CB-CB 4.28Å; Q191-I210 HydrophobicContact CB-CG2 3.74Å; S194-I210 WeakPolarHBondContact OG-CG2 3.17Å; I210-N214 HydrophobicContact CD1-CB 3.85Å; I210-Y215 HydrophobicContact CD1-CD2 4.33Å; I210-Y215 HydrophobicContact CD1-CE2 3.78Å; I210-Y215 HydrophobicContact CG1-CE2 4.17Å
211	P	95.3	Very high	90.8	Very high	26 Å²	26	57.4 Å²	57.4	17%	0.169	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	142.4	173.6	-25.8	36.1	0	0	0	112.6	R74 W213 N214	R74-P211 WeakPolarHBondContact O-CA 3.31Å; P211-W213 HydrophobicContact CB-CG 4.3Å; P211-W213 PolarHBondContact O-N 3.28Å; P211-W213 VanDerWaalsContact O-N 3.09Å; P211-N214 PolarHBondContact O-N 2.91Å; P211-N214 PolarHBondContact O-ND2 3.24Å
212	Y	95.5	Very high	91.2	Very high	20 Å²	20	48.5 Å²	48.5	8%	0.078	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-26.8	-177.7	177	-103.2	0	0	0	115.2	W71 L72 R74 V76 N214 Y215 F216 F328	W71-Y212 HydrophobicContact CE3-CD1 4.46Å; W71-Y212 HydrophobicContact CE3-CE1 4.48Å; W71-Y212 HydrophobicContact CH2-CD1 4.08Å; W71-Y212 AromaticContact CH2-CE1 3.33Å; W71-Y212 HydrophobicContact CH2-CE1 3.33Å; W71-Y212 HydrophobicContact CZ2-CD1 4.25Å; W71-Y212 AromaticContact CZ2-CE1 3.59Å; W71-Y212 HydrophobicContact CZ2-CE1 3.59Å; W71-Y212 HydrophobicContact CZ3-CD1 4.17Å; W71-Y212 AromaticContact CZ3-CE1 3.82Å; W71-Y212 HydrophobicContact CZ3-CE1 3.82Å; L72-Y212 HydrophobicContact CD2-CD1 4.41Å; L72-Y212 PolarHBondContact O-N 2.82Å; R74-Y212 VanDerWaalsContact NH1-CG 3.3Å; R74-Y212 PolarHBondContact O-N 2.93Å; V76-Y212 HydrophobicContact CG1-CD2 4.24Å; V76-Y212 HydrophobicContact CG2-CD2 4.48Å; Y212-N214 PolarHBondContact O-N 3.23Å; Y212-Y215 PolarHBondContact O-N 2.79Å; Y212-F216 HydrophobicContact CD1-CB 4.25Å; Y212-F216 HydrophobicContact CE1-CB 3.9Å; Y212-F216 HydrophobicContact CE1-CD2 4.34Å; Y212-F216 PolarHBondContact O-N 2.77Å; Y212-F216 VanDerWaalsContact O-N 3.09Å; Y212-F328 HydrophobicContact CD2-CE1 4.04Å; Y212-F328 AromaticContact CD2-CZ 3.72Å; Y212-F328 HydrophobicContact CD2-CZ 3.72Å; Y212-F328 AromaticContact CE2-CE1 3.87Å; Y212-F328 HydrophobicContact CE2-CE1 3.87Å; Y212-F328 AromaticContact CE2-CZ 3.54Å; Y212-F328 HydrophobicContact CE2-CZ 3.54Å
213	W	96.2	Very high	91.4	Very high	15 Å²	15	46.2 Å²	46.2	6%	0.057	23%	0.229	C	C	.	.	H	α-helix	trans	-56.3	-25	179.7	65.5	-101.3	0	0	0	113.8	L72 F189 P211 Y215 F216 L217 I366	L72-W213 HydrophobicContact CB-CB 4.17Å; L72-W213 HydrophobicContact CD2-CB 4.04Å; L72-W213 PolarHBondContact O-N 2.72Å; F189-W213 VanDerWaalsContact O-CH2 3.25Å; F189-W213 WeakPolarHBondContact O-CH2 3.18Å; P211-W213 HydrophobicContact CB-CG 4.3Å; P211-W213 PolarHBondContact O-N 3.28Å; P211-W213 VanDerWaalsContact O-N 3.09Å; W213-Y215 VanDerWaalsContact C-N 3.3Å; W213-Y215 PolarHBondContact O-N 2.91Å; W213-F216 PolarHBondContact O-N 3.28Å; W213-L217 HydrophobicContact CE3-CD1 3.9Å; W213-L217 HydrophobicContact CZ3-CD1 4.2Å; W213-L217 PolarHBondContact O-N 3.3Å; W213-L217 VanDerWaalsContact O-N 3.11Å; W213-I366 HydrophobicContact CB-CD1 3.74Å; W213-I366 HydrophobicContact CD2-CD1 4.41Å; W213-I366 HydrophobicContact CE3-CD1 4.49Å; W213-I366 HydrophobicContact CG-CD1 4.11Å
214	N	96.7	Very high	91.8	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-59.4	-41.1	174.1	-70.2	-94.3	0	0	0	111.9	L81 T190 Q191 I210 P211 Y212	L81-N214 HydrophobicContact CD2-CB 3.71Å; T190-N214 WeakPolarHBondContact CA-OD1 3.4Å; T190-N214 VanDerWaalsContact CB-OD1 3.27Å; T190-N214 WeakPolarHBondContact CB-OD1 3.27Å; T190-N214 HydrophobicContact CG2-CB 4.38Å; Q191-N214 PolarHBondContact N-OD1 3.22Å; I210-N214 HydrophobicContact CD1-CB 3.85Å; P211-N214 PolarHBondContact O-N 2.91Å; P211-N214 PolarHBondContact O-ND2 3.24Å; Y212-N214 PolarHBondContact O-N 3.23Å
215	Y	96.4	Very high	92.4	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-77.7	-40.8	175.1	-74.4	-91.7	0	0	0	111.5	V76 D77 A80 L81 I210 Y212 W213 L217 I218 K219 L324 F328	V76-Y215 HydrophobicContact CG2-CD2 3.85Å; V76-Y215 HydrophobicContact CG2-CE2 3.82Å; D77-Y215 WeakPolarHBondContact O-CE2 3.49Å; D77-Y215 PolarHBondContact O-OH 3.47Å; A80-Y215 HydrophobicContact CB-CE1 3.96Å; A80-Y215 PolarHBondContact N-OH 2.93Å; L81-Y215 HydrophobicContact CB-CE1 3.82Å; L81-Y215 HydrophobicContact CB-CE2 4.06Å; L81-Y215 PolarHBondContact N-OH 2.82Å; I210-Y215 HydrophobicContact CD1-CD2 4.33Å; I210-Y215 HydrophobicContact CD1-CE2 3.78Å; I210-Y215 HydrophobicContact CG1-CE2 4.17Å; Y212-Y215 PolarHBondContact O-N 2.79Å; W213-Y215 VanDerWaalsContact C-N 3.3Å; W213-Y215 PolarHBondContact O-N 2.91Å; Y215-L217 VanDerWaalsContact C-N 3.31Å; Y215-L217 PolarHBondContact O-N 3.49Å; Y215-I218 PolarHBondContact O-N 2.9Å; Y215-K219 WeakPolarHBondContact O-CB 3.47Å; Y215-K219 WeakPolarHBondContact O-CG 3.46Å; Y215-K219 PolarHBondContact O-N 3.35Å; Y215-L324 HydrophobicContact CD1-CD2 4.02Å; Y215-L324 HydrophobicContact CE1-CD2 3.79Å; Y215-F328 AromaticContact CD1-CD1 3.9Å; Y215-F328 HydrophobicContact CD1-CD1 3.9Å; Y215-F328 AromaticContact CD1-CE1 3.96Å; Y215-F328 HydrophobicContact CD1-CE1 3.96Å; Y215-F328 HydrophobicContact CD2-CD1 4.01Å; Y215-F328 HydrophobicContact CD2-CE1 4.09Å; Y215-F328 AromaticContact CE1-CD1 3.7Å; Y215-F328 HydrophobicContact CE1-CD1 3.7Å; Y215-F328 HydrophobicContact CE1-CE1 4.24Å; Y215-F328 AromaticContact CE2-CD1 3.82Å; Y215-F328 HydrophobicContact CE2-CD1 3.82Å; Y215-F328 HydrophobicContact CE2-CE1 4.37Å; Y215-F328 HydrophobicContact CG-CD1 4.04Å; Y215-F328 AromaticContact CG-CE1 3.87Å; Y215-F328 HydrophobicContact CG-CE1 3.87Å; Y215-F328 AromaticContact CZ-CD1 3.65Å
216	F	96.1	Very high	93.2	Very high	38 Å²	38	25.7 Å²	25.7	17%	0.167	13%	0.133	C	C	.	.	H	α-helix	trans	-55.1	-46.2	-178	176.6	-99.4	0	0	0	112	W71 L72 Y212 W213 F220 I366	W71-F216 HydrophobicContact CH2-CD2 4.08Å; W71-F216 HydrophobicContact CH2-CE2 4.43Å; W71-F216 HydrophobicContact CZ3-CD2 4.1Å; W71-F216 HydrophobicContact CZ3-CE2 4.38Å; L72-F216 HydrophobicContact CD2-CB 3.98Å; L72-F216 HydrophobicContact CD2-CD1 3.94Å; L72-F216 HydrophobicContact CD2-CD2 4.31Å; L72-F216 HydrophobicContact CD2-CG 3.8Å; Y212-F216 HydrophobicContact CD1-CB 4.25Å; Y212-F216 HydrophobicContact CE1-CB 3.9Å; Y212-F216 HydrophobicContact CE1-CD2 4.34Å; Y212-F216 PolarHBondContact O-N 2.77Å; Y212-F216 VanDerWaalsContact O-N 3.09Å; W213-F216 PolarHBondContact O-N 3.28Å; F216-F220 WeakPolarHBondContact O-CB 3.27Å; F216-F220 PolarHBondContact O-N 2.98Å; F216-I366 HydrophobicContact CD1-CG2 3.88Å; F216-I366 HydrophobicContact CE1-CG2 3.68Å
217	L	96.5	Very high	94	Very high	13 Å²	13	22.9 Å²	22.9	7%	0.068	12%	0.121	C	C	.	.	H	α-helix	trans	-61.3	-47.8	-178.9	-78.6	173.3	0	0	0	112.8	L186 W213 Y215 F220 Q221 I366 Y369	L186-L217 HydrophobicContact CD1-CB 4.47Å; L186-L217 HydrophobicContact CD2-CB 4.26Å; L186-L217 HydrophobicContact CD2-CD1 4.28Å; L186-L217 HydrophobicContact CD2-CD2 4.28Å; W213-L217 HydrophobicContact CE3-CD1 3.9Å; W213-L217 HydrophobicContact CZ3-CD1 4.2Å; W213-L217 PolarHBondContact O-N 3.3Å; W213-L217 VanDerWaalsContact O-N 3.11Å; Y215-L217 VanDerWaalsContact C-N 3.31Å; Y215-L217 PolarHBondContact O-N 3.49Å; L217-F220 PolarHBondContact O-N 3.39Å; L217-Q221 PolarHBondContact O-N 2.93Å; L217-I366 HydrophobicContact CD1-CG1 4.3Å; L217-I366 HydrophobicContact CD2-CB 4.43Å; L217-I366 HydrophobicContact CD2-CG1 4.13Å; L217-I366 HydrophobicContact CD2-CG2 3.91Å; L217-I366 HydrophobicContact CG-CG1 4.37Å; L217-Y369 HydrophobicContact CD2-CD1 3.91Å; L217-Y369 HydrophobicContact CD2-CE1 4.33Å
218	I	97.1	Very high	94.7	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-66	-49.8	-179.5	-56.4	-60.6	0	0	0	110.1	L81 F84 L186 Y215 F220 Q221 F222 L324	L81-I218 HydrophobicContact CD1-CG1 4.34Å; F84-I218 HydrophobicContact CD1-CG2 4.39Å; F84-I218 HydrophobicContact CE1-CD1 4.44Å; F84-I218 HydrophobicContact CE1-CG2 3.78Å; F84-I218 HydrophobicContact CZ-CG2 3.85Å; L186-I218 HydrophobicContact CB-CD1 3.66Å; L186-I218 HydrophobicContact CD1-CD1 3.98Å; Y215-I218 PolarHBondContact O-N 2.9Å; I218-F220 VanDerWaalsContact C-N 3.28Å; I218-F220 PolarHBondContact O-N 2.94Å; I218-Q221 PolarHBondContact O-N 2.7Å; I218-Q221 VanDerWaalsContact O-N 3.12Å; I218-F222 HydrophobicContact CG2-CD2 4.02Å; I218-F222 HydrophobicContact CG2-CE2 3.98Å; I218-F222 WeakPolarHBondContact O-CD2 3.38Å; I218-F222 PolarHBondContact O-N 2.85Å; I218-L324 HydrophobicContact CB-CD1 4.37Å; I218-L324 HydrophobicContact CG2-CD1 3.62Å
219	K	96.3	Very high	95.3	Very high	27 Å²	27	15.6 Å²	15.6	12%	0.117	8%	0.078	C	C	.	.	H	α-helix	trans	-58.1	-41.3	177.2	-71.3	-177.8	178.5	-170.3	0	112	Y215 F223 L324 F325	Y215-K219 WeakPolarHBondContact O-CB 3.47Å; Y215-K219 WeakPolarHBondContact O-CG 3.46Å; Y215-K219 PolarHBondContact O-N 3.35Å; K219-F223 WeakPolarHBondContact O-CB 3.38Å; K219-F223 PolarHBondContact O-N 3.44Å; K219-L324 WeakPolarHBondContact CE-O 3.24Å; K219-L324 PolarHBondContact NZ-O 2.97Å; K219-F325 HydrophobicContact CD-CE1 4.44Å; K219-F325 HydrophobicContact CG-CE1 4.4Å; K219-F325 HydrophobicContact CG-CZ 4.49Å
220	F	96.4	Very high	95.5	Very high	31 Å²	31	12.7 Å²	12.7	14%	0.136	6%	0.058	C	C	.	.	H	α-helix	trans	-62.2	-44.7	177	172.8	-93.8	0	0	0	111.4	F216 L217 I218 F222 F223 I224 Y369 C370 Q373 L374	F216-F220 WeakPolarHBondContact O-CB 3.27Å; F216-F220 PolarHBondContact O-N 2.98Å; L217-F220 PolarHBondContact O-N 3.39Å; I218-F220 VanDerWaalsContact C-N 3.28Å; I218-F220 PolarHBondContact O-N 2.94Å; F220-F222 PolarHBondContact O-N 3.44Å; F220-F223 WeakPolarHBondContact O-CB 3.33Å; F220-F223 PolarHBondContact O-N 3.33Å; F220-I224 HydrophobicContact CD1-CG1 4.25Å; F220-I224 HydrophobicContact CD2-CG1 4.19Å; F220-I224 HydrophobicContact CE1-CG1 3.74Å; F220-I224 HydrophobicContact CE2-CD1 3.89Å; F220-I224 HydrophobicContact CE2-CG1 3.69Å; F220-I224 HydrophobicContact CG-CG1 4.45Å; F220-I224 HydrophobicContact CZ-CD1 3.87Å; F220-I224 HydrophobicContact CZ-CG1 3.44Å; F220-I224 VanDerWaalsContact CZ-CG1 3.44Å; F220-I224 WeakPolarHBondContact O-CG1 3.41Å; F220-I224 PolarHBondContact O-N 3.27Å; F220-Y369 HydrophobicContact CD1-CE1 4.37Å; F220-C370 HydrophobicContact CD1-CB 4.49Å; F220-C370 HydrophobicContact CE1-CB 3.81Å; F220-C370 VanDerWaalsContact CE1-SG 3.54Å; F220-C370 HydrophobicContact CE2-CB 3.94Å; F220-C370 VanDerWaalsContact CZ-CA 3.5Å; F220-C370 HydrophobicContact CZ-CB 3.48Å; F220-C370 VanDerWaalsContact CZ-CB 3.48Å; F220-Q373 HydrophobicContact CE1-CB 4.11Å; F220-L374 HydrophobicContact CZ-CG 4.32Å
221	Q	97.2	Very high	95.5	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-61.1	-46.3	-178.4	-178.1	54.3	42	0	0	112.2	L179 L186 L217 I218 I224 L225 Y369 W398	L179-Q221 HydrophobicContact CD1-CG 3.87Å; L186-Q221 HydrophobicContact CD1-CB 3.89Å; L186-Q221 HydrophobicContact CD1-CG 4.27Å; L217-Q221 PolarHBondContact O-N 2.93Å; I218-Q221 PolarHBondContact O-N 2.7Å; I218-Q221 VanDerWaalsContact O-N 3.12Å; Q221-I224 PolarHBondContact O-N 3.17Å; Q221-L225 PolarHBondContact O-N 3.32Å; Q221-Y369 PolarHBondContact OE1-OH 3.29Å; Q221-W398 VanDerWaalsContact NE2-CZ2 3.35Å
222	F	96.4	Very high	95.3	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-72.3	-34.3	176.3	-78.5	-86.6	0	0	0	112.6	F84 L179 V183 I218 F220 I224 L225 Y226 V317 E321	F84-F222 HydrophobicContact CE2-CE2 4.21Å; F84-F222 HydrophobicContact CE2-CZ 4.39Å; F84-F222 AromaticContact CZ-CE2 3.97Å; F84-F222 HydrophobicContact CZ-CE2 3.97Å; F84-F222 HydrophobicContact CZ-CZ 4.38Å; L179-F222 HydrophobicContact CD2-CD1 4.46Å; L179-F222 HydrophobicContact CD2-CE1 3.97Å; V183-F222 HydrophobicContact CG2-CE2 3.87Å; V183-F222 HydrophobicContact CG2-CZ 4.11Å; I218-F222 HydrophobicContact CG2-CD2 4.02Å; I218-F222 HydrophobicContact CG2-CE2 3.98Å; I218-F222 WeakPolarHBondContact O-CD2 3.38Å; I218-F222 PolarHBondContact O-N 2.85Å; F220-F222 PolarHBondContact O-N 3.44Å; F222-I224 VanDerWaalsContact C-N 3.28Å; F222-I224 PolarHBondContact O-N 2.65Å; F222-L225 HydrophobicContact CD1-CD2 3.85Å; F222-L225 HydrophobicContact CE1-CD2 4.44Å; F222-L225 WeakPolarHBondContact O-CB 3.32Å; F222-L225 PolarHBondContact O-N 3.38Å; F222-Y226 HydrophobicContact CB-CE2 4.45Å; F222-Y226 WeakPolarHBondContact O-CD2 3.37Å; F222-Y226 PolarHBondContact O-N 2.96Å; F222-V317 HydrophobicContact CE1-CG1 4.17Å; F222-V317 HydrophobicContact CZ-CG1 3.78Å; F222-E321 HydrophobicContact CB-CG 4.35Å; F222-E321 WeakPolarHBondContact CB-OE1 3.49Å; F222-E321 WeakPolarHBondContact CB-OE2 3.46Å; F222-E321 HydrophobicContact CD1-CB 4.46Å; F222-E321 HydrophobicContact CD1-CG 4.25Å; F222-E321 WeakPolarHBondContact CD1-OE2 3.45Å; F222-E321 HydrophobicContact CD2-CB 4.38Å; F222-E321 HydrophobicContact CD2-CG 3.58Å; F222-E321 HydrophobicContact CE1-CB 4.26Å; F222-E321 HydrophobicContact CE1-CG 4.42Å; F222-E321 HydrophobicContact CE2-CB 4.2Å; F222-E321 HydrophobicContact CE2-CG 3.79Å; F222-E321 HydrophobicContact CG-CG 3.84Å; F222-E321 WeakPolarHBondContact CG-OE1 3.28Å; F222-E321 WeakPolarHBondContact CG-OE2 3.34Å; F222-E321 HydrophobicContact CZ-CB 4.14Å; F222-E321 HydrophobicContact CZ-CG 4.21Å
223	F	95.9	Very high	95.2	Very high	44 Å²	44	16 Å²	16	19%	0.193	7%	0.073	C	C	.	.	H	α-helix	trans	-55.8	-46.6	171.8	-178.6	-77.6	0	0	0	111.3	K219 F220 Y226 M227 A282 F283	K219-F223 WeakPolarHBondContact O-CB 3.38Å; K219-F223 PolarHBondContact O-N 3.44Å; F220-F223 WeakPolarHBondContact O-CB 3.33Å; F220-F223 PolarHBondContact O-N 3.33Å; F223-Y226 PolarHBondContact O-N 2.87Å; F223-M227 HydrophobicContact CE1-CB 4.37Å; F223-M227 HydrophobicContact CE1-SD 3.95Å; F223-M227 VanDerWaalsContact O-CB 3.26Å; F223-M227 WeakPolarHBondContact O-CB 3.26Å; F223-M227 PolarHBondContact O-N 3.24Å; F223-A282 HydrophobicContact CB-CB 4.33Å; F223-A282 HydrophobicContact CD2-CB 3.54Å; F223-A282 HydrophobicContact CE2-CB 3.96Å; F223-A282 HydrophobicContact CG-CB 3.99Å; F223-F283 HydrophobicContact CE1-CE1 4.5Å; F223-F283 HydrophobicContact CE1-CZ 4.22Å; F223-F283 HydrophobicContact CE2-CD1 4.08Å; F223-F283 HydrophobicContact CE2-CD2 4.37Å; F223-F283 HydrophobicContact CE2-CE1 4.29Å; F223-F283 HydrophobicContact CE2-CG 4.14Å; F223-F283 AromaticContact CZ-CD1 3.8Å; F223-F283 HydrophobicContact CZ-CD1 3.8Å; F223-F283 HydrophobicContact CZ-CD2 4.12Å; F223-F283 AromaticContact CZ-CE1 3.54Å; F223-F283 HydrophobicContact CZ-CE1 3.54Å; F223-F283 AromaticContact CZ-CE2 3.86Å; F223-F283 HydrophobicContact CZ-CE2 3.86Å; F223-F283 HydrophobicContact CZ-CG 4.09Å; F223-F283 AromaticContact CZ-CZ 3.57Å; F223-F283 HydrophobicContact CZ-CZ 3.57Å
224	I	95.2	Very high	95.1	Very high	3 Å²	3	20 Å²	20	2%	0.015	9%	0.091	C	C	.	.	H	α-helix	trans	-65.4	-41	178.1	-71	-57.2	0	0	0	111.9	F220 Q221 F222 M227 Y228 L374	F220-I224 HydrophobicContact CD1-CG1 4.25Å; F220-I224 HydrophobicContact CD2-CG1 4.19Å; F220-I224 HydrophobicContact CE1-CG1 3.74Å; F220-I224 HydrophobicContact CE2-CD1 3.89Å; F220-I224 HydrophobicContact CE2-CG1 3.69Å; F220-I224 HydrophobicContact CG-CG1 4.45Å; F220-I224 HydrophobicContact CZ-CD1 3.87Å; F220-I224 HydrophobicContact CZ-CG1 3.44Å; F220-I224 VanDerWaalsContact CZ-CG1 3.44Å; F220-I224 WeakPolarHBondContact O-CG1 3.41Å; F220-I224 PolarHBondContact O-N 3.27Å; Q221-I224 PolarHBondContact O-N 3.17Å; F222-I224 VanDerWaalsContact C-N 3.28Å; F222-I224 PolarHBondContact O-N 2.65Å; I224-M227 HydrophobicContact CD1-CE 3.52Å; I224-M227 PolarHBondContact O-N 3.1Å; I224-Y228 HydrophobicContact CG2-CD2 3.39Å; I224-Y228 HydrophobicContact CG2-CE2 3.46Å; I224-Y228 VanDerWaalsContact CG2-CE2 3.46Å; I224-Y228 WeakPolarHBondContact O-CB 3.45Å; I224-Y228 WeakPolarHBondContact O-CD2 3.3Å; I224-Y228 PolarHBondContact O-N 3.37Å; I224-L374 HydrophobicContact CD1-CD2 3.43Å; I224-L374 VanDerWaalsContact CD1-CD2 3.43Å; I224-L374 HydrophobicContact CD1-CG 4.2Å
225	L	94.5	Very high	94.9	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-52.3	-57.3	173.4	168	80.4	0	0	0	111	L179 Q221 F222 A229 F314 W398 M400	L179-L225 HydrophobicContact CD2-CD1 4.27Å; L179-L225 HydrophobicContact CD2-CD2 3.73Å; Q221-L225 PolarHBondContact O-N 3.32Å; F222-L225 HydrophobicContact CD1-CD2 3.85Å; F222-L225 HydrophobicContact CE1-CD2 4.44Å; F222-L225 WeakPolarHBondContact O-CB 3.32Å; F222-L225 PolarHBondContact O-N 3.38Å; L225-A229 VanDerWaalsContact O-CB 3.23Å; L225-A229 WeakPolarHBondContact O-CB 3.14Å; L225-A229 PolarHBondContact O-N 3.38Å; L225-F314 HydrophobicContact CD1-CE2 4.31Å; L225-F314 HydrophobicContact CD2-CE2 3.84Å; L225-F314 HydrophobicContact CD2-CZ 4.13Å; L225-W398 HydrophobicContact CD1-CD2 4.24Å; L225-W398 HydrophobicContact CD1-CE3 3.37Å; L225-W398 HydrophobicContact CD1-CZ3 3.55Å; L225-M400 HydrophobicContact CD1-CE 3.44Å; L225-M400 VanDerWaalsContact CD1-CE 3.44Å; L225-M400 HydrophobicContact CD1-SD 3.79Å; L225-M400 HydrophobicContact CG-CE 3.89Å
226	Y	94.6	Very high	94.6	Very high	5 Å²	5	28.7 Å²	28.7	2%	0.02	14%	0.14	C	C	.	.	H	α-helix	trans	-63.4	-47.1	-179.2	-72.5	-68.5	0	0	0	111.9	F222 F223 Y228 A229 G230 D278 I281 A282 M298 H302 C318	F222-Y226 HydrophobicContact CB-CE2 4.45Å; F222-Y226 WeakPolarHBondContact O-CD2 3.37Å; F222-Y226 PolarHBondContact O-N 2.96Å; F223-Y226 PolarHBondContact O-N 2.87Å; Y226-Y228 VanDerWaalsContact C-N 3.34Å; Y226-Y228 PolarHBondContact O-N 3.27Å; Y226-A229 WeakPolarHBondContact O-CB 3.23Å; Y226-A229 PolarHBondContact O-N 3.25Å; Y226-G230 PolarHBondContact O-N 2.72Å; Y226-D278 CarbonylContact C-O 3.55Å; Y226-D278 VanDerWaalsContact C-O 3.26Å; Y226-D278 WeakPolarHBondContact CB-O 3.49Å; Y226-D278 CarbonylContact O-C 3.57Å; Y226-I281 HydrophobicContact CD1-CG2 3.78Å; Y226-I281 HydrophobicContact CE1-CG2 4.34Å; Y226-I281 HydrophobicContact CG-CG2 3.97Å; Y226-A282 HydrophobicContact CD2-CB 4.27Å; Y226-A282 HydrophobicContact CG-CB 4.45Å; Y226-M298 HydrophobicContact CE2-CE 3.81Å; Y226-M298 WeakPolarHBondContact OH-CE 3.28Å; Y226-H302 AromaticContact CE1-CE1 3.69Å; Y226-H302 AromaticContact CE1-NE2 3.54Å; Y226-H302 AromaticContact CZ-CE1 3.85Å; Y226-H302 AromaticContact CZ-NE2 3.49Å; Y226-H302 PolarHBondContact OH-CE1 3.15Å; Y226-H302 PolarHBondContact OH-NE2 2.92Å; Y226-C318 WeakPolarHBondContact OH-CB 3.32Å
227	M	94.2	Very high	94.2	Very high	28 Å²	28	28.6 Å²	28.6	14%	0.138	14%	0.14	C	C	.	.	H	α-helix	trans	-56.2	-48.1	-179.8	-176.1	-171.8	72.5	0	0	111.3	F223 I224 G230 L231 L374	F223-M227 HydrophobicContact CE1-CB 4.37Å; F223-M227 HydrophobicContact CE1-SD 3.95Å; F223-M227 VanDerWaalsContact O-CB 3.26Å; F223-M227 WeakPolarHBondContact O-CB 3.26Å; F223-M227 PolarHBondContact O-N 3.24Å; I224-M227 HydrophobicContact CD1-CE 3.52Å; I224-M227 PolarHBondContact O-N 3.1Å; M227-G230 PolarHBondContact O-N 2.88Å; M227-L231 HydrophobicContact CG-CD1 4.02Å; M227-L231 WeakPolarHBondContact O-CB 3.39Å; M227-L231 VanDerWaalsContact O-CG 3.26Å; M227-L231 WeakPolarHBondContact O-CG 3.41Å; M227-L231 PolarHBondContact O-N 2.74Å; M227-L374 HydrophobicContact CE-CD2 4.09Å
228	Y	94.3	Very high	94.1	Very high	13 Å²	13	28.2 Å²	28.2	5%	0.051	14%	0.138	C	C	.	.	H	α-helix	trans	-72.4	-38.2	178.2	-74.5	-45.5	0	0	0	113.1	I224 Y226 G230 L231 K232 L374 P377 Y378 W398	I224-Y228 HydrophobicContact CG2-CD2 3.39Å; I224-Y228 HydrophobicContact CG2-CE2 3.46Å; I224-Y228 VanDerWaalsContact CG2-CE2 3.46Å; I224-Y228 WeakPolarHBondContact O-CB 3.45Å; I224-Y228 WeakPolarHBondContact O-CD2 3.3Å; I224-Y228 PolarHBondContact O-N 3.37Å; Y226-Y228 VanDerWaalsContact C-N 3.34Å; Y226-Y228 PolarHBondContact O-N 3.27Å; Y228-G230 PolarHBondContact O-N 3.09Å; Y228-L231 HydrophobicContact CD1-CD1 3.85Å; Y228-L231 HydrophobicContact CE1-CD1 4.05Å; Y228-L231 PolarHBondContact O-N 3.37Å; Y228-K232 WeakPolarHBondContact O-CB 3.36Å; Y228-K232 VanDerWaalsContact O-CG 3.23Å; Y228-K232 WeakPolarHBondContact O-CG 3.49Å; Y228-K232 PolarHBondContact O-N 3.48Å; Y228-L374 VanDerWaalsContact OH-CA 3.3Å; Y228-L374 WeakPolarHBondContact OH-CA 3.5Å; Y228-L374 WeakPolarHBondContact OH-CD2 3.22Å; Y228-L374 PolarHBondContact OH-O 3.37Å; Y228-P377 HydrophobicContact CD2-CB 4.28Å; Y228-P377 HydrophobicContact CD2-CG 3.84Å; Y228-P377 HydrophobicContact CE2-CB 4.3Å; Y228-P377 HydrophobicContact CE2-CG 3.75Å; Y228-Y378 HydrophobicContact CD1-CE2 4.02Å; Y228-Y378 HydrophobicContact CE1-CD2 4.4Å; Y228-Y378 AromaticContact CE1-CE2 3.4Å; Y228-Y378 HydrophobicContact CE1-CE2 3.4Å; Y228-Y378 VanDerWaalsContact CE1-CE2 3.4Å; Y228-Y378 AromaticContact CZ-CE2 3.95Å; Y228-W398 AromaticContact CD2-CD1 3.55Å
229	A	92.3	Very high	93.9	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-53.6	-41.7	173.2	0	0	0	0	0	112.2	L225 Y226 K233 D278 M400	L225-A229 VanDerWaalsContact O-CB 3.23Å; L225-A229 WeakPolarHBondContact O-CB 3.14Å; L225-A229 PolarHBondContact O-N 3.38Å; Y226-A229 WeakPolarHBondContact O-CB 3.23Å; Y226-A229 PolarHBondContact O-N 3.25Å; A229-K233 VanDerWaalsContact O-CG 3.26Å; A229-K233 WeakPolarHBondContact O-CG 2.99Å; A229-K233 PolarHBondContact O-NZ 3.48Å; A229-K233 VanDerWaalsContact O-NZ 3.17Å; A229-D278 HydrophobicContact CB-CB 4.27Å; A229-M400 HydrophobicContact CB-CE 3.24Å
230	G	94.1	Very high	93.7	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-72.2	-49.5	176.3	0	0	0	0	0	112.2	Y226 M227 Y228 K232 K233 F234 D278	Y226-G230 PolarHBondContact O-N 2.72Å; M227-G230 PolarHBondContact O-N 2.88Å; Y228-G230 PolarHBondContact O-N 3.09Å; G230-K232 VanDerWaalsContact C-N 3.28Å; G230-K232 PolarHBondContact O-N 3Å; G230-K233 WeakPolarHBondContact O-CA 3.24Å; G230-K233 VanDerWaalsContact O-CB 3.32Å; G230-K233 WeakPolarHBondContact O-CB 3.1Å; G230-K233 PolarHBondContact O-N 3.33Å; G230-F234 WeakPolarHBondContact O-CD2 3.08Å; G230-F234 PolarHBondContact O-N 3.16Å; G230-D278 VanDerWaalsContact CA-CB 3.49Å
231	L	93.9	Very high	93.4	Very high	71 Å²	71	30.3 Å²	30.3	37%	0.372	16%	0.159	S	C	.	.	H	α-helix	trans	-56.2	-40.4	179.4	-75.4	171.5	0	0	0	112.7	M227 Y228 K233 F234 V279	M227-L231 HydrophobicContact CG-CD1 4.02Å; M227-L231 WeakPolarHBondContact O-CB 3.39Å; M227-L231 VanDerWaalsContact O-CG 3.26Å; M227-L231 WeakPolarHBondContact O-CG 3.41Å; M227-L231 PolarHBondContact O-N 2.74Å; Y228-L231 HydrophobicContact CD1-CD1 3.85Å; Y228-L231 HydrophobicContact CE1-CD1 4.05Å; Y228-L231 PolarHBondContact O-N 3.37Å; L231-K233 PolarHBondContact O-N 3.14Å; L231-F234 PolarHBondContact O-N 3.09Å; L231-F234 VanDerWaalsContact O-N 3.11Å; L231-V279 HydrophobicContact CD2-CG2 4.27Å; L231-V279 HydrophobicContact CG-CG2 4.25Å
232	K	91.9	Very high	92.9	Very high	40 Å²	40	32.4 Å²	32.4	17%	0.174	17%	0.167	C	C	.	.	H	α-helix	trans	-67.6	-24.8	177.1	-64.1	-66.8	-169.5	140.7	0	113	Y228 G230 F234 S397 D399 V402	Y228-K232 WeakPolarHBondContact O-CB 3.36Å; Y228-K232 VanDerWaalsContact O-CG 3.23Å; Y228-K232 WeakPolarHBondContact O-CG 3.49Å; Y228-K232 PolarHBondContact O-N 3.48Å; G230-K232 VanDerWaalsContact C-N 3.28Å; G230-K232 PolarHBondContact O-N 3Å; K232-F234 VanDerWaalsContact C-N 3.33Å; K232-S397 WeakPolarHBondContact CE-O 3.21Å; K232-D399 WeakPolarHBondContact CD-OD1 3.41Å; K232-D399 WeakPolarHBondContact CE-OD1 3.27Å; K232-D399 WeakPolarHBondContact CG-OD1 3.08Å; K232-D399 IonicContact NZ-OD1 3.38Å; K232-D399 PolarHBondContact NZ-OD1 3.48Å; K232-V402 HydrophobicContact CB-CG2 4.29Å
233	K	94	Very high	92.5	Very high	7 Å²	7	32.6 Å²	32.6	3%	0.03	17%	0.168	C	C	.	.	H	α-helix	trans	-78.4	-12.6	172.7	-69.7	177.6	178.1	82.2	0	113.5	A229 G230 L231 S235 W238 T274 A275 D278 M400 V402	A229-K233 VanDerWaalsContact O-CG 3.26Å; A229-K233 WeakPolarHBondContact O-CG 2.99Å; A229-K233 PolarHBondContact O-NZ 3.48Å; A229-K233 VanDerWaalsContact O-NZ 3.17Å; G230-K233 WeakPolarHBondContact O-CA 3.24Å; G230-K233 VanDerWaalsContact O-CB 3.32Å; G230-K233 WeakPolarHBondContact O-CB 3.1Å; G230-K233 PolarHBondContact O-N 3.33Å; L231-K233 PolarHBondContact O-N 3.14Å; K233-S235 PolarHBondContact O-N 2.84Å; K233-W238 HydrophobicContact CB-CD2 3.94Å; K233-W238 HydrophobicContact CB-CG 3.79Å; K233-W238 HydrophobicContact CD-CD2 4.06Å; K233-W238 VanDerWaalsContact CD-CE2 3.49Å; K233-W238 HydrophobicContact CD-CE3 4.47Å; K233-W238 HydrophobicContact CD-CH2 3.96Å; K233-W238 HydrophobicContact CD-CZ2 3.45Å; K233-W238 VanDerWaalsContact CD-CZ2 3.45Å; K233-W238 HydrophobicContact CD-CZ3 4.43Å; K233-W238 HydrophobicContact CG-CD2 3.59Å; K233-W238 HydrophobicContact CG-CE3 3.96Å; K233-W238 HydrophobicContact CG-CG 4Å; K233-W238 HydrophobicContact CG-CH2 4.33Å; K233-W238 HydrophobicContact CG-CZ2 3.98Å; K233-W238 HydrophobicContact CG-CZ3 4.32Å; K233-W238 VanDerWaalsContact O-CB 3.29Å; K233-W238 WeakPolarHBondContact O-CB 3.33Å; K233-T274 HydrophobicContact CD-CG2 4.09Å; K233-A275 HydrophobicContact CB-CB 3.71Å; K233-A275 HydrophobicContact CD-CB 4.5Å; K233-D278 VanDerWaalsContact CE-OD2 3.25Å; K233-D278 WeakPolarHBondContact CE-OD2 3.4Å; K233-D278 IonicContact NZ-OD2 3.56Å; K233-D278 PolarHBondContact NZ-OD2 3.31Å; K233-M400 PolarHBondContact NZ-O 3.5Å; K233-V402 HydrophobicContact CG-CG2 4.36Å
234	F	93.8	Very high	91.9	Very high	99 Å²	99	32 Å²	32	43%	0.434	17%	0.167	S	C	.	.	S	Bend	trans	-79.8	56.2	167.9	-73.5	-87.9	0	0	0	111.3	G230 L231 K232 L239 A275 V279	G230-F234 WeakPolarHBondContact O-CD2 3.08Å; G230-F234 PolarHBondContact O-N 3.16Å; L231-F234 PolarHBondContact O-N 3.09Å; L231-F234 VanDerWaalsContact O-N 3.11Å; K232-F234 VanDerWaalsContact C-N 3.33Å; F234-L239 HydrophobicContact CD1-CD1 4.21Å; F234-A275 HydrophobicContact CE2-CB 4.42Å; F234-V279 HydrophobicContact CE2-CB 3.96Å; F234-V279 HydrophobicContact CE2-CG1 3.65Å; F234-V279 HydrophobicContact CE2-CG2 4.41Å; F234-V279 HydrophobicContact CZ-CG1 4.05Å
235	S	91.6	Very high	91.2	Very high	36 Å²	36	35.2 Å²	35.2	25%	0.252	19%	0.189	S	C	.	.	S	Bend	trans	-120.2	154.9	173.7	64.6	0	0	0	0	109.9	K233 E237 W238 L239	K233-S235 PolarHBondContact O-N 2.84Å; S235-E237 PolarHBondContact O-N 3.22Å; S235-W238 PolarHBondContact O-N 2.87Å; S235-W238 PolarHBondContact OG-N 2.87Å; S235-L239 WeakPolarHBondContact O-CG 3.26Å; S235-L239 PolarHBondContact O-N 3.11Å
236	L	89.6	Confident	90.7	Very high	147 Å²	147	40.4 Å²	40.4	77%	0.77	22%	0.217	S	C	*	.	H	α-helix	trans	-57.5	-38.3	174.6	-70.6	172.4	0	0	0	111.1	W238 S240	L236-W238 PolarHBondContact O-N 3.35Å; L236-S240 WeakPolarHBondContact O-CB 3.23Å; L236-S240 PolarHBondContact O-N 3.44Å; L236-S240 PolarHBondContact O-OG 3.44Å
237	E	88.9	Confident	90.3	Very high	36 Å²	36	41.6 Å²	41.6	17%	0.168	22%	0.224	C	C	.	.	H	α-helix	trans	-57.2	-47.1	178.1	-71.9	-57.9	115.8	0	0	113.4	S235 Y242 A243 R478 R515	S235-E237 PolarHBondContact O-N 3.22Å; E237-Y242 PolarHBondContact O-N 3.05Å; E237-A243 PolarHBondContact O-N 2.78Å; E237-R478 IonicContact OE1-CZ 2.65Å; E237-R478 IonicContact OE1-NH1 3.29Å; E237-R478 IonicContact OE1-NH2 2.78Å; E237-R478 PolarHBondContact OE1-NH2 3.01Å; E237-R478 IonicContact OE2-CZ 3.45Å; E237-R478 VanDerWaalsContact OE2-CZ 3.29Å; E237-R478 IonicContact OE2-NH1 3.66Å; E237-R478 PolarHBondContact OE2-NH1 2.85Å; E237-R478 IonicContact OE2-NH2 3.61Å; E237-R478 PolarHBondContact OE2-NH2 3.33Å; E237-R478 VanDerWaalsContact OE2-NH2 3.12Å; E237-R515 VanDerWaalsContact CD-NH1 3.28Å; E237-R515 IonicContact OE1-CZ 2.72Å; E237-R515 IonicContact OE1-NH1 3.96Å; E237-R515 PolarHBondContact OE1-NH1 2.87Å; E237-R515 IonicContact OE2-CZ 3.64Å; E237-R515 IonicContact OE2-NH1 3.51Å; E237-R515 PolarHBondContact OE2-NH1 2.9Å; E237-R515 IonicContact OE2-NH2 3.84Å; E237-R515 PolarHBondContact OE2-NH2 2.91Å; E237-R515 VanDerWaalsContact OE2-NH2 3.12Å
238	W	93.4	Very high	90.1	Very high	6 Å²	6	40.3 Å²	40.3	2%	0.023	22%	0.217	C	C	.	.	H	α-helix	trans	-75.6	-53.2	-179	-176.3	-84.6	0	0	0	110.9	K233 S235 L236 S240 G241 A243 H271 T274 M401	K233-W238 HydrophobicContact CB-CD2 3.94Å; K233-W238 HydrophobicContact CB-CG 3.79Å; K233-W238 HydrophobicContact CD-CD2 4.06Å; K233-W238 VanDerWaalsContact CD-CE2 3.49Å; K233-W238 HydrophobicContact CD-CE3 4.47Å; K233-W238 HydrophobicContact CD-CH2 3.96Å; K233-W238 HydrophobicContact CD-CZ2 3.45Å; K233-W238 VanDerWaalsContact CD-CZ2 3.45Å; K233-W238 HydrophobicContact CD-CZ3 4.43Å; K233-W238 HydrophobicContact CG-CD2 3.59Å; K233-W238 HydrophobicContact CG-CE3 3.96Å; K233-W238 HydrophobicContact CG-CG 4Å; K233-W238 HydrophobicContact CG-CH2 4.33Å; K233-W238 HydrophobicContact CG-CZ2 3.98Å; K233-W238 HydrophobicContact CG-CZ3 4.32Å; K233-W238 VanDerWaalsContact O-CB 3.29Å; K233-W238 WeakPolarHBondContact O-CB 3.33Å; S235-W238 PolarHBondContact O-N 2.87Å; S235-W238 PolarHBondContact OG-N 2.87Å; L236-W238 PolarHBondContact O-N 3.35Å; W238-S240 PolarHBondContact O-N 3.35Å; W238-S240 VanDerWaalsContact O-N 3.12Å; W238-G241 PolarHBondContact O-N 2.96Å; W238-A243 HydrophobicContact CD2-CB 4.3Å; W238-A243 HydrophobicContact CE3-CB 3.49Å; W238-A243 VanDerWaalsContact CE3-CB 3.49Å; W238-A243 HydrophobicContact CZ3-CB 4.02Å; W238-H271 AromaticContact CD2-CD2 3.91Å; W238-H271 AromaticContact CE2-CD2 3.96Å; W238-H271 VanDerWaalsContact NE1-CA 3.34Å; W238-H271 PolarHBondContact NE1-O 3.19Å; W238-H271 WeakPolarHBondContact O-CB 3.33Å; W238-H271 PolarHBondContact O-CD2 3.45Å; W238-H271 VanDerWaalsContact O-CG 3.26Å; W238-T274 HydrophobicContact CZ2-CG2 4.05Å; W238-M401 WeakPolarHBondContact CZ3-O 3.33Å
239	L	94	Very high	89.8	Confident	32 Å²	32	45.8 Å²	45.8	17%	0.168	24%	0.239	C	C	.	.	H	α-helix	trans	-67.5	-18.3	-173.5	-63.7	176.7	0	0	0	114	F234 S235 L267 W272 A275	F234-L239 HydrophobicContact CD1-CD1 4.21Å; S235-L239 WeakPolarHBondContact O-CG 3.26Å; S235-L239 PolarHBondContact O-N 3.11Å; L239-L267 WeakPolarHBondContact O-CD1 3.5Å; L239-W272 HydrophobicContact CB-CZ2 4.06Å; L239-W272 HydrophobicContact CD1-CH2 4.12Å; L239-W272 HydrophobicContact CD1-CZ2 4.3Å; L239-W272 HydrophobicContact CD2-CD2 3.87Å; L239-W272 HydrophobicContact CD2-CE3 3.98Å; L239-W272 HydrophobicContact CD2-CG 4.39Å; L239-W272 HydrophobicContact CD2-CH2 4.3Å; L239-W272 HydrophobicContact CD2-CZ2 4.18Å; L239-W272 HydrophobicContact CD2-CZ3 4.19Å; L239-W272 HydrophobicContact CG-CZ2 4.42Å; L239-W272 PolarHBondContact O-NE1 3.35Å; L239-W272 VanDerWaalsContact O-NE1 3.11Å; L239-A275 HydrophobicContact CD2-CB 4.14Å
240	S	90.9	Very high	89.6	Confident	59 Å²	59	48.5 Å²	48.5	41%	0.413	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-0.6	172.7	-63.8	0	0	0	0	114.4	L236 W238	L236-S240 WeakPolarHBondContact O-CB 3.23Å; L236-S240 PolarHBondContact O-N 3.44Å; L236-S240 PolarHBondContact O-OG 3.44Å; W238-S240 PolarHBondContact O-N 3.35Å; W238-S240 VanDerWaalsContact O-N 3.12Å
241	G	89.8	Confident	89.3	Confident	11 Å²	11	53.2 Å²	53.2	11%	0.113	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.3	23.2	175.7	0	0	0	0	0	114.8	W238 H271 R519	W238-G241 PolarHBondContact O-N 2.96Å; G241-H271 VanDerWaalsContact CA-CE1 3.4Å; G241-H271 WeakPolarHBondContact CA-CE1 3.21Å; G241-H271 WeakPolarHBondContact CA-NE2 3.26Å; G241-R519 PolarHBondContact O-NH2 3.37Å
242	Y	88.6	Confident	89.1	Confident	43 Å²	43	50.6 Å²	50.6	17%	0.169	26%	0.256	C	S	.	.			trans	-100.2	-20.8	-177.8	-70.5	-66.5	0	0	0	114.3	E237 N476 R515 R519	E237-Y242 PolarHBondContact O-N 3.05Å; Y242-N476 WeakPolarHBondContact O-CB 3.45Å; Y242-R515 HydrophobicContact CE1-CB 4.16Å; Y242-R515 VanDerWaalsContact CG-CZ 3.43Å; Y242-R519 VanDerWaalsContact CD1-NH2 3.27Å
243	A	87	Confident	89.1	Confident	4 Å²	4	48.9 Å²	48.9	3%	0.033	25%	0.249	C	C	.	.	S	Bend	trans	-67.1	-38.7	-177	0	0	0	0	0	112.3	E237 W238	E237-A243 PolarHBondContact O-N 2.78Å; W238-A243 HydrophobicContact CD2-CB 4.3Å; W238-A243 HydrophobicContact CE3-CB 3.49Å; W238-A243 VanDerWaalsContact CE3-CB 3.49Å; W238-A243 HydrophobicContact CZ3-CB 4.02Å
244	M	83.4	Confident	88.9	Confident	33 Å²	33	50.4 Å²	50.4	16%	0.163	26%	0.262	C	S	.	.	S	Bend	trans	-141.1	107.4	178.2	-71.8	-172.3	152.3	0	0	111	L247 V270 H271 F309 M401	M244-L247 HydrophobicContact SD-CD2 4.45Å; M244-V270 HydrophobicContact CB-CG1 4.49Å; M244-H271 PolarHBondContact N-NE2 3.36Å; M244-H271 PolarHBondContact O-CE1 3.41Å; M244-H271 PolarHBondContact O-NE2 2.89Å; M244-F309 HydrophobicContact CE-CD1 4.29Å; M244-F309 HydrophobicContact CE-CE1 3.46Å; M244-F309 VanDerWaalsContact CE-CE1 3.46Å; M244-F309 HydrophobicContact CE-CZ 3.84Å; M244-F309 HydrophobicContact SD-CE1 3.72Å; M244-F309 HydrophobicContact SD-CZ 3.65Å; M244-M401 HydrophobicContact CE-CB 3.57Å; M244-M401 HydrophobicContact CE-CE 3.91Å; M244-M401 HydrophobicContact CE-CG 3.86Å; M244-M401 HydrophobicContact CE-SD 3.85Å; M244-M401 HydrophobicContact SD-CB 4.38Å
245	S	79.9	Confident	88.8	Confident	70 Å²	70	49.7 Å²	49.7	49%	0.49	27%	0.268	S	S	.	.			trans	-98	157.9	173.7	49.3	0	0	0	0	111.9	L247	S245-L247 PolarHBondContact O-N 3.45Å; S245-L247 VanDerWaalsContact O-N 3.16Å
246	N	84.2	Confident	88.7	Confident	109 Å²	109	52.1 Å²	52.1	58%	0.583	27%	0.274	S	S	*	.	S	Bend	trans	66.4	10.7	171.3	-55.1	-26.5	0	0	0	115.4	S248 Y249 D266	N246-S248 VanDerWaalsContact C-N 3.27Å; N246-S248 PolarHBondContact O-N 3.13Å; N246-Y249 HydrophobicContact CB-CD2 4Å; N246-Y249 HydrophobicContact CB-CE2 4.43Å; N246-Y249 PolarHBondContact O-N 3.02Å; N246-D266 WeakPolarHBondContact CA-OD2 3.3Å; N246-D266 PolarHBondContact N-OD2 3.44Å
247	L	86.8	Confident	88.9	Confident	30 Å²	30	49.6 Å²	49.6	16%	0.157	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-71.1	-28.8	178.9	-162.9	66.1	0	0	0	111.4	M244 S245 Y249 H250 F253 D266 V270 L308 F309	M244-L247 HydrophobicContact SD-CD2 4.45Å; S245-L247 PolarHBondContact O-N 3.45Å; S245-L247 VanDerWaalsContact O-N 3.16Å; L247-Y249 PolarHBondContact O-N 2.96Å; L247-Y249 VanDerWaalsContact O-N 3.16Å; L247-H250 WeakPolarHBondContact O-CB 3.43Å; L247-H250 PolarHBondContact O-N 3.02Å; L247-F253 HydrophobicContact CD2-CE2 4.4Å; L247-F253 HydrophobicContact CG-CE2 4.12Å; L247-F253 VanDerWaalsContact O-CD2 3.29Å; L247-F253 WeakPolarHBondContact O-CD2 3.25Å; L247-D266 PolarHBondContact N-OD1 3.34Å; L247-V270 HydrophobicContact CB-CG2 4.35Å; L247-V270 HydrophobicContact CD2-CG1 3.85Å; L247-V270 HydrophobicContact CD2-CG2 4.25Å; L247-L308 HydrophobicContact CD1-CD2 4.05Å; L247-L308 HydrophobicContact CD2-CD1 4.35Å; L247-L308 HydrophobicContact CD2-CD2 4.42Å; L247-L308 HydrophobicContact CG-CD2 4.09Å; L247-F309 HydrophobicContact CD1-CE1 4.31Å; L247-F309 HydrophobicContact CD2-CE1 4.02Å; L247-F309 HydrophobicContact CD2-CZ 3.76Å
248	S	89.4	Confident	89	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-54.3	-25.6	173	57.6	0	0	0	0	114.5	N246 H250 F253 R257 P262 D266	N246-S248 VanDerWaalsContact C-N 3.27Å; N246-S248 PolarHBondContact O-N 3.13Å; S248-H250 VanDerWaalsContact C-N 3.28Å; S248-H250 PolarHBondContact O-N 3.41Å; S248-F253 WeakPolarHBondContact O-CB 3.21Å; S248-R257 WeakPolarHBondContact O-CD 3.26Å; S248-R257 PolarHBondContact O-NE 3.08Å; S248-P262 WeakPolarHBondContact CB-O 3.45Å; S248-P262 WeakPolarHBondContact OG-CB 3.37Å; S248-P262 PolarHBondContact OG-O 2.88Å; S248-P262 VanDerWaalsContact OG-O 3.08Å; S248-D266 WeakPolarHBondContact CB-OD1 3.23Å; S248-D266 PolarHBondContact N-OD1 3.48Å; S248-D266 VanDerWaalsContact OG-CG 3.27Å; S248-D266 PolarHBondContact OG-OD1 2.97Å; S248-D266 PolarHBondContact OG-OD2 3.21Å
249	Y	87.6	Confident	89	Confident	129 Å²	129	61.6 Å²	61.6	51%	0.506	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-75.4	-15.8	176.9	-67.8	-81.4	0	0	0	113.3	N246 L247 R257 P262	N246-Y249 HydrophobicContact CB-CD2 4Å; N246-Y249 HydrophobicContact CB-CE2 4.43Å; N246-Y249 PolarHBondContact O-N 3.02Å; L247-Y249 PolarHBondContact O-N 2.96Å; L247-Y249 VanDerWaalsContact O-N 3.16Å; Y249-R257 PolarHBondContact O-NH2 3.45Å; Y249-P262 HydrophobicContact CE1-CB 4.05Å; Y249-P262 HydrophobicContact CE1-CG 3.98Å; Y249-P262 HydrophobicContact CE2-CB 3.99Å
250	H	89.4	Confident	89	Confident	57 Å²	57	62.5 Å²	62.5	26%	0.264	32%	0.324	S	S	.	.	S	Bend	trans	-60.6	150.3	174.9	-167.1	-96.7	0	0	0	111.7	L247 S248 V252 F253 R257 L308	L247-H250 WeakPolarHBondContact O-CB 3.43Å; L247-H250 PolarHBondContact O-N 3.02Å; S248-H250 VanDerWaalsContact C-N 3.28Å; S248-H250 PolarHBondContact O-N 3.41Å; H250-V252 WeakPolarHBondContact ND1-CG2 3.24Å; H250-V252 PolarHBondContact ND1-N 3.18Å; H250-V252 PolarHBondContact O-N 3.34Å; H250-F253 HydrophobicContact CB-CD2 4.4Å; H250-F253 PolarHBondContact O-N 3.4Å; H250-F253 VanDerWaalsContact O-N 3.09Å; H250-R257 PolarHBondContact O-NH2 3.33Å; H250-L308 HydrophobicContact CB-CD2 3.95Å; H250-L308 WeakPolarHBondContact ND1-CD2 3.18Å
251	W	87.6	Confident	89.1	Confident	98 Å²	98	65.5 Å²	65.5	37%	0.371	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-62.2	-29.4	-175.3	70.3	-99.7	0	0	0	113.1	F253 A254 R307 V630 L631	W251-F253 PolarHBondContact O-N 3.34Å; W251-F253 VanDerWaalsContact O-N 3.13Å; W251-A254 WeakPolarHBondContact O-CB 3.47Å; W251-A254 PolarHBondContact O-N 3.46Å; W251-R307 HydrophobicContact CZ2-CB 4.26Å; W251-R307 HydrophobicContact CZ2-CG 4.08Å; W251-V630 HydrophobicContact CB-CG1 4.22Å; W251-V630 HydrophobicContact CD2-CG1 3.43Å; W251-V630 VanDerWaalsContact CD2-CG1 3.43Å; W251-V630 VanDerWaalsContact CE2-O 3.31Å; W251-V630 HydrophobicContact CE3-CG1 3.68Å; W251-V630 HydrophobicContact CG-CG1 3.69Å; W251-V630 HydrophobicContact CZ2-CG1 4.39Å; W251-V630 HydrophobicContact CZ3-CG1 4.27Å; W251-V630 PolarHBondContact NE1-O 3.03Å; W251-V630 VanDerWaalsContact NE1-O 3.11Å; W251-L631 HydrophobicContact CH2-CD2 3.84Å; W251-L631 HydrophobicContact CH2-CG 4.39Å; W251-L631 HydrophobicContact CZ2-CD2 3.6Å; W251-L631 HydrophobicContact CZ2-CG 4.3Å
252	V	89.6	Confident	89.1	Confident	16 Å²	16	66.5 Å²	66.5	10%	0.097	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-56	-30.8	177.1	168.5	0	0	0	0	111.4	H250 M304 R307 L308	H250-V252 WeakPolarHBondContact ND1-CG2 3.24Å; H250-V252 PolarHBondContact ND1-N 3.18Å; H250-V252 PolarHBondContact O-N 3.34Å; V252-M304 HydrophobicContact CG1-CB 4.2Å; V252-M304 HydrophobicContact CG1-CE 3.41Å; V252-M304 VanDerWaalsContact CG1-CE 3.41Å; V252-M304 HydrophobicContact CG1-CG 3.71Å; V252-M304 HydrophobicContact CG1-SD 4.24Å; V252-R307 HydrophobicContact CG2-CB 4.16Å; V252-L308 HydrophobicContact CB-CD2 4.24Å; V252-L308 HydrophobicContact CG2-CD2 4.45Å
253	F	91.9	Very high	89.2	Confident	5 Å²	5	72.2 Å²	72.2	2%	0.022	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-93.3	0.4	178.9	-65.1	-75.1	0	0	0	113.9	L247 S248 H250 W251 P255 F256 R257 I265 I269 V270 M304 L308	L247-F253 HydrophobicContact CD2-CE2 4.4Å; L247-F253 HydrophobicContact CG-CE2 4.12Å; L247-F253 VanDerWaalsContact O-CD2 3.29Å; L247-F253 WeakPolarHBondContact O-CD2 3.25Å; S248-F253 WeakPolarHBondContact O-CB 3.21Å; H250-F253 HydrophobicContact CB-CD2 4.4Å; H250-F253 PolarHBondContact O-N 3.4Å; H250-F253 VanDerWaalsContact O-N 3.09Å; W251-F253 PolarHBondContact O-N 3.34Å; W251-F253 VanDerWaalsContact O-N 3.13Å; F253-P255 VanDerWaalsContact C-CD 3.41Å; F253-P255 VanDerWaalsContact C-N 3.31Å; F253-F256 AromaticContact CD1-CD2 3.94Å; F253-F256 HydrophobicContact CD1-CD2 3.94Å; F253-F256 HydrophobicContact CD1-CE2 4.38Å; F253-F256 WeakPolarHBondContact O-CA 3.21Å; F253-F256 WeakPolarHBondContact O-CB 3.4Å; F253-F256 PolarHBondContact O-N 3.15Å; F253-R257 PolarHBondContact O-N 3.02Å; F253-I265 HydrophobicContact CB-CG2 4.35Å; F253-I265 HydrophobicContact CD1-CG2 3.82Å; F253-I265 HydrophobicContact CE1-CG2 4.41Å; F253-I265 HydrophobicContact CG-CG2 4.17Å; F253-I269 HydrophobicContact CE1-CG2 3.9Å; F253-V270 HydrophobicContact CE1-CG2 4.18Å; F253-V270 HydrophobicContact CE2-CG2 4.19Å; F253-V270 HydrophobicContact CZ-CG2 3.72Å; F253-M304 HydrophobicContact CE1-CE 3.82Å; F253-M304 HydrophobicContact CZ-CE 3.99Å; F253-L308 HydrophobicContact CD2-CD2 4.29Å; F253-L308 HydrophobicContact CE2-CD1 3.91Å; F253-L308 HydrophobicContact CE2-CD2 3.68Å; F253-L308 HydrophobicContact CE2-CG 4.46Å; F253-L308 HydrophobicContact CZ-CD1 4.02Å
254	A	89.9	Confident	89.4	Confident	38 Å²	38	75.6 Å²	75.6	31%	0.314	39%	0.385	S	S	.	.	H	α-helix	trans	-53.4	-38.9	179.3	0	0	0	0	0	113.9	W251 F256 R257	W251-A254 WeakPolarHBondContact O-CB 3.47Å; W251-A254 PolarHBondContact O-N 3.46Å; A254-F256 VanDerWaalsContact C-N 3.32Å; A254-F256 PolarHBondContact O-N 3.33Å; A254-R257 PolarHBondContact O-N 3.5Å
255	P	90.5	Very high	89.9	Confident	85 Å²	85	74 Å²	74	55%	0.552	38%	0.377	S	S	*	.	H	α-helix	trans	-62.8	-36	174.2	-23.4	35.2	0	0	0	113.4	F253	F253-P255 VanDerWaalsContact C-CD 3.41Å; F253-P255 VanDerWaalsContact C-N 3.31Å
256	F	90.6	Very high	90.5	Very high	86 Å²	86	71.4 Å²	71.4	38%	0.377	36%	0.357	S	S	.	.	H	α-helix	trans	-73.9	-37	178.3	-61.7	-82.4	0	0	0	111.6	F253 A254 Q258 V259 I260 I265 I269	F253-F256 AromaticContact CD1-CD2 3.94Å; F253-F256 HydrophobicContact CD1-CD2 3.94Å; F253-F256 HydrophobicContact CD1-CE2 4.38Å; F253-F256 WeakPolarHBondContact O-CA 3.21Å; F253-F256 WeakPolarHBondContact O-CB 3.4Å; F253-F256 PolarHBondContact O-N 3.15Å; A254-F256 VanDerWaalsContact C-N 3.32Å; A254-F256 PolarHBondContact O-N 3.33Å; F256-Q258 PolarHBondContact O-N 2.92Å; F256-Q258 VanDerWaalsContact O-N 3.13Å; F256-V259 PolarHBondContact O-N 3.41Å; F256-I260 PolarHBondContact O-N 2.88Å; F256-I265 HydrophobicContact CB-CD1 3.77Å; F256-I265 HydrophobicContact CB-CG1 4.2Å; F256-I269 HydrophobicContact CB-CD1 4.1Å; F256-I269 HydrophobicContact CD1-CD1 3.34Å; F256-I269 HydrophobicContact CD2-CD1 4.39Å; F256-I269 HydrophobicContact CE1-CD1 3.76Å; F256-I269 HydrophobicContact CG-CD1 3.69Å; F256-I269 HydrophobicContact CZ-CD1 4.43Å
257	R	92.9	Very high	91	Very high	95 Å²	95	68.9 Å²	68.9	36%	0.358	34%	0.344	S	S	.	.	H	α-helix	trans	-63.6	-14	177.9	-76.9	-169.1	-76.6	136.6	-7	114.3	S248 Y249 H250 F253 A254 V259 I265	S248-R257 WeakPolarHBondContact O-CD 3.26Å; S248-R257 PolarHBondContact O-NE 3.08Å; Y249-R257 PolarHBondContact O-NH2 3.45Å; H250-R257 PolarHBondContact O-NH2 3.33Å; F253-R257 PolarHBondContact O-N 3.02Å; A254-R257 PolarHBondContact O-N 3.5Å; R257-V259 PolarHBondContact O-N 3.36Å; R257-I265 HydrophobicContact CB-CD1 4.2Å; R257-I265 HydrophobicContact CG-CD1 3.46Å; R257-I265 VanDerWaalsContact CG-CD1 3.46Å
258	Q	91.8	Very high	91.3	Very high	165 Å²	165	71.5 Å²	71.5	77%	0.771	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-18.2	172.3	-64.5	179.8	10.9	0	0	112.8	F256	F256-Q258 PolarHBondContact O-N 2.92Å; F256-Q258 VanDerWaalsContact O-N 3.13Å
259	V	93.6	Very high	91.5	Very high	129 Å²	129	72.8 Å²	72.8	78%	0.782	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.4	-25.6	-170.8	-171.5	0	0	0	0	112.7	F256 R257	F256-V259 PolarHBondContact O-N 3.41Å; R257-V259 PolarHBondContact O-N 3.36Å
260	I	93.7	Very high	91.8	Very high	51 Å²	51	67 Å²	67	26%	0.262	34%	0.342	S	S	.	.	S	Bend	trans	-127.4	136.4	-172	-51.3	177.4	0	0	0	109.5	F256 L264 I265 I269	F256-I260 PolarHBondContact O-N 2.88Å; I260-L264 HydrophobicContact CG2-CB 3.85Å; I260-L264 HydrophobicContact CG2-CD2 3.93Å; I260-L264 HydrophobicContact CG2-CG 3.95Å; I260-I265 HydrophobicContact CB-CD1 4.08Å; I260-I265 HydrophobicContact CB-CG1 3.69Å; I260-I265 HydrophobicContact CG2-CD1 4.47Å; I260-I265 HydrophobicContact CG2-CG1 3.63Å; I260-I265 VanDerWaalsContact O-CD1 3.27Å; I260-I265 WeakPolarHBondContact O-CD1 3.35Å; I260-I269 HydrophobicContact CD1-CD1 4.47Å
261	D	92.5	Very high	92	Very high	122 Å²	122	64.3 Å²	64.3	65%	0.652	33%	0.33	S	S	*	.			trans	-59.9	142.9	175.1	-65.8	-42.3	0	0	0	111.6	E263 L264 I265	D261-E263 VanDerWaalsContact C-N 3.32Å; D261-E263 PolarHBondContact O-N 2.89Å; D261-L264 HydrophobicContact CB-CB 4.46Å; D261-L264 PolarHBondContact O-N 2.86Å; D261-I265 PolarHBondContact O-N 2.88Å
262	P	90	Very high	92.4	Very high	31 Å²	31	65.6 Å²	65.6	20%	0.201	33%	0.334	C	S	.	.	H	α-helix	trans	-53	-43.8	-177.6	-27.8	35	0	0	0	114.1	S248 Y249 L264 I265 D266	S248-P262 WeakPolarHBondContact CB-O 3.45Å; S248-P262 WeakPolarHBondContact OG-CB 3.37Å; S248-P262 PolarHBondContact OG-O 2.88Å; S248-P262 VanDerWaalsContact OG-O 3.08Å; Y249-P262 HydrophobicContact CE1-CB 4.05Å; Y249-P262 HydrophobicContact CE1-CG 3.98Å; Y249-P262 HydrophobicContact CE2-CB 3.99Å; P262-L264 VanDerWaalsContact C-N 3.29Å; P262-L264 PolarHBondContact O-N 3.36Å; P262-I265 WeakPolarHBondContact O-CB 3.37Å; P262-I265 PolarHBondContact O-N 2.89Å; P262-I265 VanDerWaalsContact O-N 3.16Å; P262-D266 PolarHBondContact O-N 2.98Å
263	E	90.2	Very high	92.6	Very high	163 Å²	163	69.2 Å²	69.2	76%	0.762	35%	0.349	S	S	*	.	H	α-helix	trans	-61.9	-38.1	178.1	-63.3	-176.1	-179.1	0	0	112.4	D261 D266 L267	D261-E263 VanDerWaalsContact C-N 3.32Å; D261-E263 PolarHBondContact O-N 2.89Å; E263-D266 PolarHBondContact O-N 2.02Å; E263-L267 PolarHBondContact O-N 3.18Å
264	L	92.8	Very high	92.7	Very high	76 Å²	76	70 Å²	70	40%	0.398	36%	0.355	S	S	.	.	H	α-helix	trans	-75.5	-30.4	178.4	-170.3	64	0	0	0	111.5	I260 D261 P262 L267 L268	I260-L264 HydrophobicContact CG2-CB 3.85Å; I260-L264 HydrophobicContact CG2-CD2 3.93Å; I260-L264 HydrophobicContact CG2-CG 3.95Å; D261-L264 HydrophobicContact CB-CB 4.46Å; D261-L264 PolarHBondContact O-N 2.86Å; P262-L264 VanDerWaalsContact C-N 3.29Å; P262-L264 PolarHBondContact O-N 3.36Å; L264-L267 PolarHBondContact O-N 3.04Å; L264-L268 HydrophobicContact CD1-CD1 3.66Å; L264-L268 HydrophobicContact CD1-CD2 4.38Å; L264-L268 HydrophobicContact CD1-CG 3.67Å; L264-L268 HydrophobicContact CD2-CD1 4.15Å; L264-L268 HydrophobicContact CG-CD1 3.69Å; L264-L268 HydrophobicContact CG-CG 4.01Å; L264-L268 VanDerWaalsContact O-CB 3.31Å; L264-L268 WeakPolarHBondContact O-CB 3.39Å; L264-L268 WeakPolarHBondContact O-CG 3.4Å; L264-L268 PolarHBondContact O-N 3.24Å
265	I	93.5	Very high	92.9	Very high	0 Å²	0	68.3 Å²	68.3	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-63.2	-48.3	169.4	-70.4	168.1	0	0	0	110.3	F253 F256 R257 I260 D261 P262 L267 I269 V270	F253-I265 HydrophobicContact CB-CG2 4.35Å; F253-I265 HydrophobicContact CD1-CG2 3.82Å; F253-I265 HydrophobicContact CE1-CG2 4.41Å; F253-I265 HydrophobicContact CG-CG2 4.17Å; F256-I265 HydrophobicContact CB-CD1 3.77Å; F256-I265 HydrophobicContact CB-CG1 4.2Å; R257-I265 HydrophobicContact CB-CD1 4.2Å; R257-I265 HydrophobicContact CG-CD1 3.46Å; R257-I265 VanDerWaalsContact CG-CD1 3.46Å; I260-I265 HydrophobicContact CB-CD1 4.08Å; I260-I265 HydrophobicContact CB-CG1 3.69Å; I260-I265 HydrophobicContact CG2-CD1 4.47Å; I260-I265 HydrophobicContact CG2-CG1 3.63Å; I260-I265 VanDerWaalsContact O-CD1 3.27Å; I260-I265 WeakPolarHBondContact O-CD1 3.35Å; D261-I265 PolarHBondContact O-N 2.88Å; P262-I265 WeakPolarHBondContact O-CB 3.37Å; P262-I265 PolarHBondContact O-N 2.89Å; P262-I265 VanDerWaalsContact O-N 3.16Å; I265-L267 VanDerWaalsContact C-N 3.31Å; I265-L267 PolarHBondContact O-N 3Å; I265-I269 HydrophobicContact CG1-CD1 4.45Å; I265-I269 HydrophobicContact CG2-CB 4.36Å; I265-I269 HydrophobicContact CG2-CD1 4.24Å; I265-I269 WeakPolarHBondContact O-CA 3.4Å; I265-I269 WeakPolarHBondContact O-CB 3.23Å; I265-I269 PolarHBondContact O-N 3.28Å; I265-V270 PolarHBondContact O-N 2.98Å; I265-V270 VanDerWaalsContact O-N 3.11Å
266	D	92.4	Very high	93.2	Very high	14 Å²	14	70.1 Å²	70.1	8%	0.075	34%	0.34	C	S	.	.	I	π-helix	trans	-57.8	-47.9	176.6	-79.4	-27.7	0	0	0	109.8	N246 L247 S248 P262 E263 V270 H271	N246-D266 WeakPolarHBondContact CA-OD2 3.3Å; N246-D266 PolarHBondContact N-OD2 3.44Å; L247-D266 PolarHBondContact N-OD1 3.34Å; S248-D266 WeakPolarHBondContact CB-OD1 3.23Å; S248-D266 PolarHBondContact N-OD1 3.48Å; S248-D266 VanDerWaalsContact OG-CG 3.27Å; S248-D266 PolarHBondContact OG-OD1 2.97Å; S248-D266 PolarHBondContact OG-OD2 3.21Å; P262-D266 PolarHBondContact O-N 2.98Å; E263-D266 PolarHBondContact O-N 2.02Å; D266-V270 VanDerWaalsContact O-CB 3.29Å; D266-V270 WeakPolarHBondContact O-CB 3.05Å; D266-V270 PolarHBondContact O-N 3.27Å; D266-H271 PolarHBondContact O-N 3.36Å; D266-H271 PolarHBondContact O-ND1 3.32Å
267	L	93.7	Very high	93.4	Very high	57 Å²	57	66.6 Å²	66.6	30%	0.298	32%	0.324	S	S	.	.	I	π-helix	trans	-65.2	-57.1	179.6	-175	62.1	0	0	0	112.9	L239 E263 L264 I265 H271 W272	L239-L267 WeakPolarHBondContact O-CD1 3.5Å; E263-L267 PolarHBondContact O-N 3.18Å; L264-L267 PolarHBondContact O-N 3.04Å; I265-L267 VanDerWaalsContact C-N 3.31Å; I265-L267 PolarHBondContact O-N 3Å; L267-H271 WeakPolarHBondContact O-CB 3.47Å; L267-W272 VanDerWaalsContact O-CD1 3.31Å; L267-W272 PolarHBondContact O-N 2.91Å
268	L	94.4	Very high	93.5	Very high	84 Å²	84	62.4 Å²	62.4	44%	0.44	31%	0.309	S	S	.	.	I	π-helix	trans	-79.1	-41.4	-169.8	-63.6	-176.2	0	0	0	113.2	L264 W272 F273	L264-L268 HydrophobicContact CD1-CD1 3.66Å; L264-L268 HydrophobicContact CD1-CD2 4.38Å; L264-L268 HydrophobicContact CD1-CG 3.67Å; L264-L268 HydrophobicContact CD2-CD1 4.15Å; L264-L268 HydrophobicContact CG-CD1 3.69Å; L264-L268 HydrophobicContact CG-CG 4.01Å; L264-L268 VanDerWaalsContact O-CB 3.31Å; L264-L268 WeakPolarHBondContact O-CB 3.39Å; L264-L268 WeakPolarHBondContact O-CG 3.4Å; L264-L268 PolarHBondContact O-N 3.24Å; L268-W272 WeakPolarHBondContact O-CB 3.23Å; L268-F273 WeakPolarHBondContact O-CB 3.46Å; L268-F273 PolarHBondContact O-N 3.21Å
269	I	93.3	Very high	93.6	Very high	28 Å²	28	55.8 Å²	55.8	14%	0.144	28%	0.28	C	S	.	.	I	π-helix	trans	-91.3	-56.2	-174.7	-54.9	-176.6	0	0	0	110.2	F253 F256 I260 I265 F273 T274	F253-I269 HydrophobicContact CE1-CG2 3.9Å; F256-I269 HydrophobicContact CB-CD1 4.1Å; F256-I269 HydrophobicContact CD1-CD1 3.34Å; F256-I269 HydrophobicContact CD2-CD1 4.39Å; F256-I269 HydrophobicContact CE1-CD1 3.76Å; F256-I269 HydrophobicContact CG-CD1 3.69Å; F256-I269 HydrophobicContact CZ-CD1 4.43Å; I260-I269 HydrophobicContact CD1-CD1 4.47Å; I265-I269 HydrophobicContact CG1-CD1 4.45Å; I265-I269 HydrophobicContact CG2-CB 4.36Å; I265-I269 HydrophobicContact CG2-CD1 4.24Å; I265-I269 WeakPolarHBondContact O-CA 3.4Å; I265-I269 WeakPolarHBondContact O-CB 3.23Å; I265-I269 PolarHBondContact O-N 3.28Å; I269-F273 WeakPolarHBondContact O-CB 3.18Å; I269-T274 PolarHBondContact O-N 3.44Å; I269-T274 PolarHBondContact O-OG1 3.37Å
270	V	93.1	Very high	93.7	Very high	8 Å²	8	50.4 Å²	50.4	5%	0.048	25%	0.248	C	C	.	.	I	π-helix	trans	-66.6	-43.9	-175.2	178.3	0	0	0	0	110.7	M244 L247 F253 I265 D266 T274	M244-V270 HydrophobicContact CB-CG1 4.49Å; L247-V270 HydrophobicContact CB-CG2 4.35Å; L247-V270 HydrophobicContact CD2-CG1 3.85Å; L247-V270 HydrophobicContact CD2-CG2 4.25Å; F253-V270 HydrophobicContact CE1-CG2 4.18Å; F253-V270 HydrophobicContact CE2-CG2 4.19Å; F253-V270 HydrophobicContact CZ-CG2 3.72Å; I265-V270 PolarHBondContact O-N 2.98Å; I265-V270 VanDerWaalsContact O-N 3.11Å; D266-V270 VanDerWaalsContact O-CB 3.29Å; D266-V270 WeakPolarHBondContact O-CB 3.05Å; D266-V270 PolarHBondContact O-N 3.27Å; V270-T274 WeakPolarHBondContact O-CB 3.27Å; V270-T274 PolarHBondContact O-OG1 3.19Å
271	H	94.2	Very high	93.8	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.236	C	C	.	.	I	π-helix	trans	-92.5	-63.9	-177.8	-61.2	85.4	0	0	0	113.5	W238 G241 M244 D266 L267 A275	W238-H271 AromaticContact CD2-CD2 3.91Å; W238-H271 AromaticContact CE2-CD2 3.96Å; W238-H271 VanDerWaalsContact NE1-CA 3.34Å; W238-H271 PolarHBondContact NE1-O 3.19Å; W238-H271 WeakPolarHBondContact O-CB 3.33Å; W238-H271 PolarHBondContact O-CD2 3.45Å; W238-H271 VanDerWaalsContact O-CG 3.26Å; G241-H271 VanDerWaalsContact CA-CE1 3.4Å; G241-H271 WeakPolarHBondContact CA-CE1 3.21Å; G241-H271 WeakPolarHBondContact CA-NE2 3.26Å; M244-H271 PolarHBondContact N-NE2 3.36Å; M244-H271 PolarHBondContact O-CE1 3.41Å; M244-H271 PolarHBondContact O-NE2 2.89Å; D266-H271 PolarHBondContact O-N 3.36Å; D266-H271 PolarHBondContact O-ND1 3.32Å; L267-H271 WeakPolarHBondContact O-CB 3.47Å; H271-A275 VanDerWaalsContact O-CB 3.3Å; H271-A275 WeakPolarHBondContact O-CB 3.4Å; H271-A275 PolarHBondContact O-N 2.87Å
272	W	95.4	Very high	93.8	Very high	124 Å²	124	42.5 Å²	42.5	47%	0.47	21%	0.206	S	C	.	.	I	π-helix	trans	-67.3	-50.6	-171.6	-84.3	90.5	0	0	0	113.6	L239 L267 L268 A275 F276	L239-W272 HydrophobicContact CB-CZ2 4.06Å; L239-W272 HydrophobicContact CD1-CH2 4.12Å; L239-W272 HydrophobicContact CD1-CZ2 4.3Å; L239-W272 HydrophobicContact CD2-CD2 3.87Å; L239-W272 HydrophobicContact CD2-CE3 3.98Å; L239-W272 HydrophobicContact CD2-CG 4.39Å; L239-W272 HydrophobicContact CD2-CH2 4.3Å; L239-W272 HydrophobicContact CD2-CZ2 4.18Å; L239-W272 HydrophobicContact CD2-CZ3 4.19Å; L239-W272 HydrophobicContact CG-CZ2 4.42Å; L239-W272 PolarHBondContact O-NE1 3.35Å; L239-W272 VanDerWaalsContact O-NE1 3.11Å; L267-W272 VanDerWaalsContact O-CD1 3.31Å; L267-W272 PolarHBondContact O-N 2.91Å; L268-W272 WeakPolarHBondContact O-CB 3.23Å; W272-A275 PolarHBondContact O-N 2.71Å; W272-F276 PolarHBondContact O-N 3.4Å; W272-F276 VanDerWaalsContact O-N 3.09Å
273	F	94.6	Very high	93.9	Very high	93 Å²	93	45.7 Å²	45.7	41%	0.408	22%	0.217	S	C	.	.	I	π-helix	trans	-61.7	-47.8	178.6	169.9	-92.3	0	0	0	110.7	L268 I269 A275 F276 F277	L268-F273 WeakPolarHBondContact O-CB 3.46Å; L268-F273 PolarHBondContact O-N 3.21Å; I269-F273 WeakPolarHBondContact O-CB 3.18Å; F273-A275 VanDerWaalsContact C-N 3.34Å; F273-A275 PolarHBondContact O-N 3.25Å; F273-F276 PolarHBondContact O-N 3.1Å; F273-F277 HydrophobicContact CD1-CB 4.46Å; F273-F277 HydrophobicContact CE1-CB 4.16Å; F273-F277 HydrophobicContact CE1-CD2 4.27Å; F273-F277 HydrophobicContact CE1-CG 4.3Å; F273-F277 HydrophobicContact CZ-CB 4.31Å; F273-F277 AromaticContact CZ-CD2 3.89Å; F273-F277 HydrophobicContact CZ-CD2 3.89Å; F273-F277 HydrophobicContact CZ-CG 4.34Å; F273-F277 WeakPolarHBondContact O-CB 3.42Å; F273-F277 PolarHBondContact O-N 3.14Å
274	T	93.5	Very high	94.1	Very high	22 Å²	22	41.4 Å²	41.4	14%	0.135	20%	0.196	C	C	.	.	H	α-helix	trans	-59.4	-41.7	178	-54.9	0	0	0	0	112.7	K233 W238 I269 V270 F277 D278 F301	K233-T274 HydrophobicContact CD-CG2 4.09Å; W238-T274 HydrophobicContact CZ2-CG2 4.05Å; I269-T274 PolarHBondContact O-N 3.44Å; I269-T274 PolarHBondContact O-OG1 3.37Å; V270-T274 WeakPolarHBondContact O-CB 3.27Å; V270-T274 PolarHBondContact O-OG1 3.19Å; T274-F277 PolarHBondContact O-N 3.46Å; T274-D278 WeakPolarHBondContact O-CB 3.25Å; T274-D278 PolarHBondContact O-N 3.21Å; T274-F301 HydrophobicContact CG2-CE2 3.89Å; T274-F301 HydrophobicContact CG2-CZ 4.1Å
275	A	94.9	Very high	94.1	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.008	18%	0.177	C	C	.	.	H	α-helix	trans	-61.5	-46.9	177.8	0	0	0	0	0	111.8	K233 F234 L239 H271 W272 F273 V279	K233-A275 HydrophobicContact CB-CB 3.71Å; K233-A275 HydrophobicContact CD-CB 4.5Å; F234-A275 HydrophobicContact CE2-CB 4.42Å; L239-A275 HydrophobicContact CD2-CB 4.14Å; H271-A275 VanDerWaalsContact O-CB 3.3Å; H271-A275 WeakPolarHBondContact O-CB 3.4Å; H271-A275 PolarHBondContact O-N 2.87Å; W272-A275 PolarHBondContact O-N 2.71Å; F273-A275 VanDerWaalsContact C-N 3.34Å; F273-A275 PolarHBondContact O-N 3.25Å; A275-V279 PolarHBondContact O-N 3.04Å
276	F	95.8	Very high	93.9	Very high	124 Å²	124	40.8 Å²	40.8	54%	0.544	20%	0.196	S	C	.	.	H	α-helix	trans	-68.3	-39.3	177.3	-175.9	-96	0	0	0	112	W272 F273 V279 S280	W272-F276 PolarHBondContact O-N 3.4Å; W272-F276 VanDerWaalsContact O-N 3.09Å; F273-F276 PolarHBondContact O-N 3.1Å; F276-V279 WeakPolarHBondContact O-CG1 3.4Å; F276-S280 VanDerWaalsContact O-CB 3.23Å; F276-S280 WeakPolarHBondContact O-CB 3.2Å; F276-S280 PolarHBondContact O-N 3.43Å; F276-S280 VanDerWaalsContact O-N 3.1Å; F276-S280 PolarHBondContact O-OG 2.96Å
277	F	95.6	Very high	93.8	Very high	11 Å²	11	42 Å²	42	5%	0.048	20%	0.202	C	C	.	.	H	α-helix	trans	-60.9	-55.4	178	-179.6	-91.2	0	0	0	110.3	F273 T274 V279 S280 I281 F297 M298 F301	F273-F277 HydrophobicContact CD1-CB 4.46Å; F273-F277 HydrophobicContact CE1-CB 4.16Å; F273-F277 HydrophobicContact CE1-CD2 4.27Å; F273-F277 HydrophobicContact CE1-CG 4.3Å; F273-F277 HydrophobicContact CZ-CB 4.31Å; F273-F277 AromaticContact CZ-CD2 3.89Å; F273-F277 HydrophobicContact CZ-CD2 3.89Å; F273-F277 HydrophobicContact CZ-CG 4.34Å; F273-F277 WeakPolarHBondContact O-CB 3.42Å; F273-F277 PolarHBondContact O-N 3.14Å; T274-F277 PolarHBondContact O-N 3.46Å; F277-V279 VanDerWaalsContact C-N 3.34Å; F277-V279 PolarHBondContact O-N 2.76Å; F277-S280 PolarHBondContact O-N 3.26Å; F277-S280 VanDerWaalsContact O-N 3.15Å; F277-I281 HydrophobicContact CD1-CB 4.38Å; F277-I281 HydrophobicContact CD1-CG2 4.31Å; F277-I281 HydrophobicContact CD2-CB 4.49Å; F277-I281 HydrophobicContact CE1-CB 4Å; F277-I281 HydrophobicContact CE1-CG1 4.04Å; F277-I281 HydrophobicContact CE1-CG2 3.95Å; F277-I281 HydrophobicContact CE2-CB 4.13Å; F277-I281 HydrophobicContact CE2-CD1 3.69Å; F277-I281 HydrophobicContact CE2-CG1 3.93Å; F277-I281 HydrophobicContact CZ-CB 3.85Å; F277-I281 HydrophobicContact CZ-CD1 3.74Å; F277-I281 HydrophobicContact CZ-CG1 3.51Å; F277-I281 HydrophobicContact CZ-CG2 4.28Å; F277-I281 VanDerWaalsContact O-CB 3.23Å; F277-I281 WeakPolarHBondContact O-CB 3.16Å; F277-I281 VanDerWaalsContact O-CG2 3.27Å; F277-I281 WeakPolarHBondContact O-CG2 3.01Å; F277-I281 PolarHBondContact O-N 3.11Å; F277-F297 HydrophobicContact CE2-CB 3.96Å; F277-M298 HydrophobicContact CZ-CB 4.44Å; F277-F301 HydrophobicContact CD1-CB 4.48Å; F277-F301 HydrophobicContact CD1-CD1 4.01Å; F277-F301 AromaticContact CD1-CD2 3.87Å; F277-F301 HydrophobicContact CD1-CD2 3.87Å; F277-F301 HydrophobicContact CD1-CE1 4.11Å; F277-F301 HydrophobicContact CD1-CE2 4Å; F277-F301 AromaticContact CD1-CG 3.86Å; F277-F301 HydrophobicContact CD1-CG 3.86Å; F277-F301 HydrophobicContact CD1-CZ 4.1Å; F277-F301 HydrophobicContact CE1-CB 3.75Å; F277-F301 AromaticContact CE1-CD1 3.42Å; F277-F301 HydrophobicContact CE1-CD1 3.42Å; F277-F301 VanDerWaalsContact CE1-CD1 3.42Å; F277-F301 AromaticContact CE1-CD2 3.92Å; F277-F301 HydrophobicContact CE1-CD2 3.92Å; F277-F301 AromaticContact CE1-CE1 3.88Å; F277-F301 HydrophobicContact CE1-CE1 3.88Å; F277-F301 HydrophobicContact CE1-CE2 4.36Å; F277-F301 AromaticContact CE1-CG 3.41Å; F277-F301 HydrophobicContact CE1-CG 3.41Å; F277-F301 VanDerWaalsContact CE1-CG 3.41Å; F277-F301 HydrophobicContact CE1-CZ 4.32Å; F277-F301 HydrophobicContact CZ-CB 3.82Å; F277-F301 HydrophobicContact CZ-CD1 4.28Å; F277-F301 HydrophobicContact CZ-CG 4.03Å
278	D	94.9	Very high	93.4	Very high	7 Å²	7	45.4 Å²	45.4	4%	0.037	22%	0.216	C	C	.	.	H	α-helix	trans	-58.3	-44.1	-177.9	-79.4	-12.8	0	0	0	111.8	Y226 A229 G230 K233 T274 S280 F301	Y226-D278 CarbonylContact C-O 3.55Å; Y226-D278 VanDerWaalsContact C-O 3.26Å; Y226-D278 WeakPolarHBondContact CB-O 3.49Å; Y226-D278 CarbonylContact O-C 3.57Å; A229-D278 HydrophobicContact CB-CB 4.27Å; G230-D278 VanDerWaalsContact CA-CB 3.49Å; K233-D278 VanDerWaalsContact CE-OD2 3.25Å; K233-D278 WeakPolarHBondContact CE-OD2 3.4Å; K233-D278 IonicContact NZ-OD2 3.56Å; K233-D278 PolarHBondContact NZ-OD2 3.31Å; T274-D278 WeakPolarHBondContact O-CB 3.25Å; T274-D278 PolarHBondContact O-N 3.21Å; D278-S280 VanDerWaalsContact C-N 3.33Å; D278-S280 PolarHBondContact O-N 3.01Å; D278-F301 VanDerWaalsContact OD1-CZ 3.24Å; D278-F301 WeakPolarHBondContact OD1-CZ 3.34Å
279	V	94.8	Very high	93.1	Very high	27 Å²	27	49 Å²	49	16%	0.164	23%	0.228	C	C	.	.	H	α-helix	trans	-69.8	-31	-178.6	75.5	0	0	0	0	112.5	L231 F234 A275 F276 F277 F283	L231-V279 HydrophobicContact CD2-CG2 4.27Å; L231-V279 HydrophobicContact CG-CG2 4.25Å; F234-V279 HydrophobicContact CE2-CB 3.96Å; F234-V279 HydrophobicContact CE2-CG1 3.65Å; F234-V279 HydrophobicContact CE2-CG2 4.41Å; F234-V279 HydrophobicContact CZ-CG1 4.05Å; A275-V279 PolarHBondContact O-N 3.04Å; F276-V279 WeakPolarHBondContact O-CG1 3.4Å; F277-V279 VanDerWaalsContact C-N 3.34Å; F277-V279 PolarHBondContact O-N 2.76Å; V279-F283 WeakPolarHBondContact O-CD2 3.45Å; V279-F283 WeakPolarHBondContact O-CE2 3.24Å
280	S	95.2	Very high	93	Very high	16 Å²	16	49.3 Å²	49.3	11%	0.112	23%	0.232	C	C	.	.	H	α-helix	trans	-102.3	-25.9	-169.6	69.3	0	0	0	0	114.3	F276 F277 D278 A282 F283 F284	F276-S280 VanDerWaalsContact O-CB 3.23Å; F276-S280 WeakPolarHBondContact O-CB 3.2Å; F276-S280 PolarHBondContact O-N 3.43Å; F276-S280 VanDerWaalsContact O-N 3.1Å; F276-S280 PolarHBondContact O-OG 2.96Å; F277-S280 PolarHBondContact O-N 3.26Å; F277-S280 VanDerWaalsContact O-N 3.15Å; D278-S280 VanDerWaalsContact C-N 3.33Å; D278-S280 PolarHBondContact O-N 3.01Å; S280-A282 VanDerWaalsContact C-N 3.34Å; S280-A282 PolarHBondContact O-N 3.27Å; S280-F283 WeakPolarHBondContact O-CB 3Å; S280-F283 PolarHBondContact O-N 3.43Å; S280-F284 WeakPolarHBondContact O-CD2 3.19Å; S280-F284 PolarHBondContact O-N 3.37Å; S280-F284 VanDerWaalsContact O-N 3.08Å
281	I	95.2	Very high	93	Very high	3 Å²	3	50.5 Å²	50.5	2%	0.015	24%	0.235	C	C	.	.	H	α-helix	trans	-60.9	-41.5	-170.3	-172.7	60.2	0	0	0	112.4	Y226 F277 F283 F284 M285 V294 M298	Y226-I281 HydrophobicContact CD1-CG2 3.78Å; Y226-I281 HydrophobicContact CE1-CG2 4.34Å; Y226-I281 HydrophobicContact CG-CG2 3.97Å; F277-I281 HydrophobicContact CD1-CB 4.38Å; F277-I281 HydrophobicContact CD1-CG2 4.31Å; F277-I281 HydrophobicContact CD2-CB 4.49Å; F277-I281 HydrophobicContact CE1-CB 4Å; F277-I281 HydrophobicContact CE1-CG1 4.04Å; F277-I281 HydrophobicContact CE1-CG2 3.95Å; F277-I281 HydrophobicContact CE2-CB 4.13Å; F277-I281 HydrophobicContact CE2-CD1 3.69Å; F277-I281 HydrophobicContact CE2-CG1 3.93Å; F277-I281 HydrophobicContact CZ-CB 3.85Å; F277-I281 HydrophobicContact CZ-CD1 3.74Å; F277-I281 HydrophobicContact CZ-CG1 3.51Å; F277-I281 HydrophobicContact CZ-CG2 4.28Å; F277-I281 VanDerWaalsContact O-CB 3.23Å; F277-I281 WeakPolarHBondContact O-CB 3.16Å; F277-I281 VanDerWaalsContact O-CG2 3.27Å; F277-I281 WeakPolarHBondContact O-CG2 3.01Å; F277-I281 PolarHBondContact O-N 3.11Å; I281-F283 VanDerWaalsContact C-N 3.28Å; I281-F283 PolarHBondContact O-N 2.88Å; I281-F284 PolarHBondContact O-N 2.95Å; I281-M285 HydrophobicContact CD1-CG 4.13Å; I281-M285 HydrophobicContact CG1-CG 4.17Å; I281-M285 WeakPolarHBondContact O-CB 3.48Å; I281-M285 WeakPolarHBondContact O-CG 3.26Å; I281-M285 PolarHBondContact O-N 3.14Å; I281-V294 HydrophobicContact CD1-CB 3.82Å; I281-V294 HydrophobicContact CD1-CG2 4.02Å; I281-M298 HydrophobicContact CD1-CB 4.21Å; I281-M298 HydrophobicContact CG1-CB 4.29Å; I281-M298 HydrophobicContact CG1-CG 4.27Å; I281-M298 HydrophobicContact CG1-SD 4.32Å
282	A	92.3	Very high	92.9	Very high	3 Å²	3	56.9 Å²	56.9	3%	0.025	27%	0.269	C	S	.	.	H	α-helix	trans	-63.9	-33.8	179	0	0	0	0	0	112.4	F223 Y226 S280 T286	F223-A282 HydrophobicContact CB-CB 4.33Å; F223-A282 HydrophobicContact CD2-CB 3.54Å; F223-A282 HydrophobicContact CE2-CB 3.96Å; F223-A282 HydrophobicContact CG-CB 3.99Å; Y226-A282 HydrophobicContact CD2-CB 4.27Å; Y226-A282 HydrophobicContact CG-CB 4.45Å; S280-A282 VanDerWaalsContact C-N 3.34Å; S280-A282 PolarHBondContact O-N 3.27Å; A282-T286 WeakPolarHBondContact O-CB 3.37Å; A282-T286 PolarHBondContact O-N 3.46Å; A282-T286 VanDerWaalsContact O-N 3.17Å; A282-T286 PolarHBondContact O-OG1 2.93Å
283	F	93.1	Very high	92.9	Very high	98 Å²	98	56.9 Å²	56.9	43%	0.43	28%	0.277	S	S	.	.	H	α-helix	trans	-65.8	-52.5	172.1	-65	-92.4	0	0	0	110.2	F223 V279 S280 I281 M285 T286 L287	F223-F283 HydrophobicContact CE1-CE1 4.5Å; F223-F283 HydrophobicContact CE1-CZ 4.22Å; F223-F283 HydrophobicContact CE2-CD1 4.08Å; F223-F283 HydrophobicContact CE2-CD2 4.37Å; F223-F283 HydrophobicContact CE2-CE1 4.29Å; F223-F283 HydrophobicContact CE2-CG 4.14Å; F223-F283 AromaticContact CZ-CD1 3.8Å; F223-F283 HydrophobicContact CZ-CD1 3.8Å; F223-F283 HydrophobicContact CZ-CD2 4.12Å; F223-F283 AromaticContact CZ-CE1 3.54Å; F223-F283 HydrophobicContact CZ-CE1 3.54Å; F223-F283 AromaticContact CZ-CE2 3.86Å; F223-F283 HydrophobicContact CZ-CE2 3.86Å; F223-F283 HydrophobicContact CZ-CG 4.09Å; F223-F283 AromaticContact CZ-CZ 3.57Å; F223-F283 HydrophobicContact CZ-CZ 3.57Å; V279-F283 WeakPolarHBondContact O-CD2 3.45Å; V279-F283 WeakPolarHBondContact O-CE2 3.24Å; S280-F283 WeakPolarHBondContact O-CB 3Å; S280-F283 PolarHBondContact O-N 3.43Å; I281-F283 VanDerWaalsContact C-N 3.28Å; I281-F283 PolarHBondContact O-N 2.88Å; F283-M285 VanDerWaalsContact C-N 3.29Å; F283-M285 PolarHBondContact O-N 3.17Å; F283-T286 PolarHBondContact O-N 3.23Å; F283-T286 VanDerWaalsContact O-N 3.09Å; F283-L287 VanDerWaalsContact O-CG 3.31Å; F283-L287 WeakPolarHBondContact O-CG 3.36Å; F283-L287 PolarHBondContact O-N 3.22Å; F283-L287 VanDerWaalsContact O-N 3.1Å
284	F	93.9	Very high	92.9	Very high	74 Å²	74	53.4 Å²	53.4	33%	0.325	26%	0.263	S	S	.	.	H	α-helix	trans	-65.1	-29	-178.4	-66.6	-54	0	0	0	114.2	S280 I281 L287 T290 R291 V294	S280-F284 WeakPolarHBondContact O-CD2 3.19Å; S280-F284 PolarHBondContact O-N 3.37Å; S280-F284 VanDerWaalsContact O-N 3.08Å; I281-F284 PolarHBondContact O-N 2.95Å; F284-L287 HydrophobicContact CD1-CD1 4.3Å; F284-T290 HydrophobicContact CD1-CG2 4.15Å; F284-T290 PolarHBondContact O-OG1 3.34Å; F284-R291 PolarHBondContact O-N 3.47Å; F284-V294 HydrophobicContact CB-CB 4.27Å; F284-V294 HydrophobicContact CB-CG1 3.73Å; F284-V294 HydrophobicContact CB-CG2 3.81Å; F284-V294 HydrophobicContact CD2-CG1 4.47Å; F284-V294 HydrophobicContact CG-CG1 4.2Å
285	M	92.6	Very high	93	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-72.8	-33.6	173.1	-77.5	-62.6	-66	0	0	112.6	I281 F283 R291 V294 M298 V322 F325	I281-M285 HydrophobicContact CD1-CG 4.13Å; I281-M285 HydrophobicContact CG1-CG 4.17Å; I281-M285 WeakPolarHBondContact O-CB 3.48Å; I281-M285 WeakPolarHBondContact O-CG 3.26Å; I281-M285 PolarHBondContact O-N 3.14Å; F283-M285 VanDerWaalsContact C-N 3.29Å; F283-M285 PolarHBondContact O-N 3.17Å; M285-R291 HydrophobicContact CE-CG 4.09Å; M285-R291 PolarHBondContact O-NE 3.04Å; M285-R291 HydrophobicContact SD-CG 4.14Å; M285-V294 HydrophobicContact CG-CG2 4.05Å; M285-V294 HydrophobicContact SD-CG2 3.63Å; M285-M298 HydrophobicContact CE-SD 3.81Å; M285-M298 HydrophobicContact CG-SD 3.62Å; M285-M298 HydrophobicContact SD-SD 3.85Å; M285-V322 HydrophobicContact CE-CG1 3.99Å; M285-F325 HydrophobicContact CB-CD1 4.05Å; M285-F325 HydrophobicContact CB-CE1 4.15Å; M285-F325 HydrophobicContact CB-CG 4.27Å; M285-F325 HydrophobicContact CB-CZ 4.46Å; M285-F325 HydrophobicContact CE-CB 3.82Å; M285-F325 HydrophobicContact CE-CD2 3.82Å; M285-F325 HydrophobicContact CE-CG 3.88Å
286	T	90.1	Very high	93.1	Very high	62 Å²	62	56.4 Å²	56.4	38%	0.38	28%	0.283	S	S	.	.	H	α-helix	trans	-69.7	-40.1	177.2	-58.3	0	0	0	0	111	A282 F283 E288 R291	A282-T286 WeakPolarHBondContact O-CB 3.37Å; A282-T286 PolarHBondContact O-N 3.46Å; A282-T286 VanDerWaalsContact O-N 3.17Å; A282-T286 PolarHBondContact O-OG1 2.93Å; F283-T286 PolarHBondContact O-N 3.23Å; F283-T286 VanDerWaalsContact O-N 3.09Å; T286-E288 PolarHBondContact O-N 3.45Å; T286-R291 PolarHBondContact O-NH2 3.45Å
287	L	89.1	Confident	93.1	Very high	39 Å²	39	55.9 Å²	55.9	20%	0.204	28%	0.281	C	S	.	.	S	Bend	trans	-70	119.4	177.8	-58.1	170	0	0	0	111.5	C54 L55 F283 F284 K289 T290 R291	C54-L287 WeakPolarHBondContact O-CD2 3.24Å; L55-L287 HydrophobicContact CD2-CD2 3.98Å; F283-L287 VanDerWaalsContact O-CG 3.31Å; F283-L287 WeakPolarHBondContact O-CG 3.36Å; F283-L287 PolarHBondContact O-N 3.22Å; F283-L287 VanDerWaalsContact O-N 3.1Å; F284-L287 HydrophobicContact CD1-CD1 4.3Å; L287-K289 VanDerWaalsContact C-N 3.29Å; L287-K289 PolarHBondContact O-N 3.14Å; L287-T290 WeakPolarHBondContact CB-OG1 3.38Å; L287-T290 PolarHBondContact O-N 2.8Å; L287-T290 PolarHBondContact O-OG1 3.05Å; L287-R291 PolarHBondContact O-N 3Å; L287-R291 VanDerWaalsContact O-N 3.13Å
288	E	86.1	Confident	93.1	Very high	130 Å²	130	55.5 Å²	55.5	61%	0.607	28%	0.279	S	S	*	.	H	α-helix	trans	-60.2	-36.3	-175.1	-67.9	-177.2	170.2	0	0	113.5	T286 T290	T286-E288 PolarHBondContact O-N 3.45Å; E288-T290 PolarHBondContact O-N 3.3Å
289	K	87.8	Confident	93.2	Very high	159 Å²	159	58.3 Å²	58.3	69%	0.691	29%	0.294	S	S	*	.	H	α-helix	trans	-69.5	-30.7	-177	-66.9	177	-179.9	164.5	0	113.3	D53 L287	D53-K289 WeakPolarHBondContact O-CE 3.38Å; D53-K289 PolarHBondContact O-NZ 2.95Å; D53-K289 IonicContact OD1-NZ 2.97Å; L287-K289 VanDerWaalsContact C-N 3.29Å; L287-K289 PolarHBondContact O-N 3.14Å
290	T	91.9	Very high	93.2	Very high	35 Å²	35	60.1 Å²	60.1	22%	0.215	31%	0.308	C	S	.	.	H	α-helix	trans	-98.9	-20	-176.7	49.7	0	0	0	0	113.1	F284 L287 E288 L292 L293 V294	F284-T290 HydrophobicContact CD1-CG2 4.15Å; F284-T290 PolarHBondContact O-OG1 3.34Å; L287-T290 WeakPolarHBondContact CB-OG1 3.38Å; L287-T290 PolarHBondContact O-N 2.8Å; L287-T290 PolarHBondContact O-OG1 3.05Å; E288-T290 PolarHBondContact O-N 3.3Å; T290-L292 PolarHBondContact O-N 3.42Å; T290-L293 WeakPolarHBondContact O-CB 3.49Å; T290-L293 PolarHBondContact O-N 3.42Å; T290-V294 PolarHBondContact O-N 2.86Å
291	R	91.4	Very high	93.1	Very high	32 Å²	32	60.3 Å²	60.3	12%	0.121	31%	0.307	C	S	.	.	H	α-helix	trans	-49.4	-50.5	-172.7	-172.2	-177.9	-58.7	141.7	2.3	114	F284 M285 T286 L287 L293 V294 T295 F325 F326	F284-R291 PolarHBondContact O-N 3.47Å; M285-R291 HydrophobicContact CE-CG 4.09Å; M285-R291 PolarHBondContact O-NE 3.04Å; M285-R291 HydrophobicContact SD-CG 4.14Å; T286-R291 PolarHBondContact O-NH2 3.45Å; L287-R291 PolarHBondContact O-N 3Å; L287-R291 VanDerWaalsContact O-N 3.13Å; R291-L293 VanDerWaalsContact C-N 3.28Å; R291-L293 PolarHBondContact O-N 2.83Å; R291-V294 PolarHBondContact O-N 2.75Å; R291-T295 WeakPolarHBondContact O-CB 2.97Å; R291-T295 PolarHBondContact O-N 3.17Å; R291-T295 PolarHBondContact O-OG1 3.29Å; R291-F325 WeakPolarHBondContact CD-O 3.13Å; R291-F325 PolarHBondContact NE-O 2.87Å; R291-F325 PolarHBondContact NH1-O 2.94Å; R291-F325 PolarHBondContact NH2-O 2.62Å; R291-F326 HydrophobicContact CG-CE1 4.29Å; R291-F326 HydrophobicContact CG-CZ 4.19Å
292	L	93	Very high	93.1	Very high	135 Å²	135	60.2 Å²	60.2	71%	0.707	31%	0.306	S	S	*	.	H	α-helix	trans	-64.6	-34.8	-178.1	-172.4	65.8	0	0	0	112.1	T290 P296	T290-L292 PolarHBondContact O-N 3.42Å; L292-P296 VanDerWaalsContact O-CD 3.28Å; L292-P296 WeakPolarHBondContact O-CD 3.26Å
293	L	94.8	Very high	93.2	Very high	124 Å²	124	64 Å²	64	65%	0.649	33%	0.325	S	S	*	.	H	α-helix	trans	-69.4	-41.3	178.1	178.1	67.3	0	0	0	112	T290 R291 P296 F297	T290-L293 WeakPolarHBondContact O-CB 3.49Å; T290-L293 PolarHBondContact O-N 3.42Å; R291-L293 VanDerWaalsContact C-N 3.28Å; R291-L293 PolarHBondContact O-N 2.83Å; L293-P296 WeakPolarHBondContact O-CD 3.42Å; L293-F297 WeakPolarHBondContact O-CD2 3.3Å
294	V	95.6	Very high	93.1	Very high	19 Å²	19	61.9 Å²	61.9	12%	0.115	32%	0.317	C	S	.	.	H	α-helix	trans	-87.2	-15.2	-176.6	-59.9	0	0	0	0	113.9	I281 F284 M285 T290 R291 F297 M298	I281-V294 HydrophobicContact CD1-CB 3.82Å; I281-V294 HydrophobicContact CD1-CG2 4.02Å; F284-V294 HydrophobicContact CB-CB 4.27Å; F284-V294 HydrophobicContact CB-CG1 3.73Å; F284-V294 HydrophobicContact CB-CG2 3.81Å; F284-V294 HydrophobicContact CD2-CG1 4.47Å; F284-V294 HydrophobicContact CG-CG1 4.2Å; M285-V294 HydrophobicContact CG-CG2 4.05Å; M285-V294 HydrophobicContact SD-CG2 3.63Å; T290-V294 PolarHBondContact O-N 2.86Å; R291-V294 PolarHBondContact O-N 2.75Å; V294-F297 WeakPolarHBondContact O-CB 3.23Å; V294-F297 PolarHBondContact O-N 2.87Å; V294-F297 VanDerWaalsContact O-N 3.14Å; V294-M298 PolarHBondContact O-N 2.68Å
295	T	96.1	Very high	93	Very high	15 Å²	15	59.3 Å²	59.3	9%	0.092	31%	0.307	C	S	.	.	H	α-helix	trans	-57.3	-47.4	179.8	-64.4	0	0	0	0	112.6	R291 F297 M298 L299 V322 F326	R291-T295 WeakPolarHBondContact O-CB 2.97Å; R291-T295 PolarHBondContact O-N 3.17Å; R291-T295 PolarHBondContact O-OG1 3.29Å; T295-F297 VanDerWaalsContact C-N 3.28Å; T295-F297 PolarHBondContact O-N 3.08Å; T295-M298 PolarHBondContact O-N 2.84Å; T295-M298 VanDerWaalsContact O-N 3.15Å; T295-L299 HydrophobicContact CG2-CD1 4.03Å; T295-L299 HydrophobicContact CG2-CG 4.19Å; T295-L299 WeakPolarHBondContact O-CG 3.31Å; T295-L299 PolarHBondContact O-N 3Å; T295-V322 HydrophobicContact CG2-CG1 4.09Å; T295-F326 HydrophobicContact CG2-CE2 4.44Å; T295-F326 HydrophobicContact CG2-CZ 4.13Å; T295-F326 WeakPolarHBondContact OG1-CZ 3.22Å
296	P	96.8	Very high	92.9	Very high	72 Å²	72	60.1 Å²	60.1	47%	0.468	31%	0.313	S	S	.	.	H	α-helix	trans	-55.7	-41.5	175.3	-26.3	35	0	0	0	112.9	L292 L293 L299 S300	L292-P296 VanDerWaalsContact O-CD 3.28Å; L292-P296 WeakPolarHBondContact O-CD 3.26Å; L293-P296 WeakPolarHBondContact O-CD 3.42Å; P296-L299 PolarHBondContact O-N 3.46Å; P296-S300 WeakPolarHBondContact O-CB 3.42Å; P296-S300 PolarHBondContact O-N 3.3Å; P296-S300 PolarHBondContact O-OG 3.19Å; P296-S300 VanDerWaalsContact O-OG 3.07Å
297	F	94.9	Very high	92.9	Very high	113 Å²	113	59.7 Å²	59.7	50%	0.496	30%	0.304	S	S	.	.	H	α-helix	trans	-65.1	-41.2	177.5	-65.6	-89.7	0	0	0	112	F277 L293 V294 T295 S300 F301	F277-F297 HydrophobicContact CE2-CB 3.96Å; L293-F297 WeakPolarHBondContact O-CD2 3.3Å; V294-F297 WeakPolarHBondContact O-CB 3.23Å; V294-F297 PolarHBondContact O-N 2.87Å; V294-F297 VanDerWaalsContact O-N 3.14Å; T295-F297 VanDerWaalsContact C-N 3.28Å; T295-F297 PolarHBondContact O-N 3.08Å; F297-S300 PolarHBondContact O-N 3.31Å; F297-F301 VanDerWaalsContact O-CB 3.24Å; F297-F301 WeakPolarHBondContact O-CB 3.49Å; F297-F301 PolarHBondContact O-N 3.1Å
298	M	95.3	Very high	92.8	Very high	3 Å²	3	59 Å²	59	2%	0.015	30%	0.301	C	S	.	.	H	α-helix	trans	-63.1	-44.4	175	-168.8	175.5	-177.8	0	0	112.5	Y226 F277 I281 M285 V294 T295 F301 H302 V322	Y226-M298 HydrophobicContact CE2-CE 3.81Å; Y226-M298 WeakPolarHBondContact OH-CE 3.28Å; F277-M298 HydrophobicContact CZ-CB 4.44Å; I281-M298 HydrophobicContact CD1-CB 4.21Å; I281-M298 HydrophobicContact CG1-CB 4.29Å; I281-M298 HydrophobicContact CG1-CG 4.27Å; I281-M298 HydrophobicContact CG1-SD 4.32Å; M285-M298 HydrophobicContact CE-SD 3.81Å; M285-M298 HydrophobicContact CG-SD 3.62Å; M285-M298 HydrophobicContact SD-SD 3.85Å; V294-M298 PolarHBondContact O-N 2.68Å; T295-M298 PolarHBondContact O-N 2.84Å; T295-M298 VanDerWaalsContact O-N 3.15Å; M298-F301 PolarHBondContact O-N 2.82Å; M298-H302 PolarHBondContact O-CD2 2.99Å; M298-H302 PolarHBondContact O-N 3.16Å; M298-V322 HydrophobicContact CE-CG2 3.77Å; M298-V322 HydrophobicContact CG-CG2 4.19Å; M298-V322 HydrophobicContact SD-CG2 3.72Å
299	L	96.7	Very high	92.8	Very high	66 Å²	66	54.4 Å²	54.4	35%	0.346	28%	0.279	S	S	.	.	H	α-helix	trans	-62.2	-50.2	175.8	-64.3	177.1	0	0	0	110.7	T295 P296 F301 H302 L303 L319 V322	T295-L299 HydrophobicContact CG2-CD1 4.03Å; T295-L299 HydrophobicContact CG2-CG 4.19Å; T295-L299 WeakPolarHBondContact O-CG 3.31Å; T295-L299 PolarHBondContact O-N 3Å; P296-L299 PolarHBondContact O-N 3.46Å; L299-F301 PolarHBondContact O-N 3.13Å; L299-H302 PolarHBondContact O-N 2.93Å; L299-L303 WeakPolarHBondContact O-CB 3.49Å; L299-L303 VanDerWaalsContact O-CG 3.22Å; L299-L303 WeakPolarHBondContact O-CG 3.26Å; L299-L303 PolarHBondContact O-N 2.97Å; L299-L319 HydrophobicContact CB-CD2 4.41Å; L299-L319 HydrophobicContact CD2-CD2 3.44Å; L299-L319 VanDerWaalsContact CD2-CD2 3.44Å; L299-V322 HydrophobicContact CD2-CG1 4.44Å; L299-V322 HydrophobicContact CD2-CG2 4.37Å
300	S	94.8	Very high	92.5	Very high	64 Å²	64	53.7 Å²	53.7	45%	0.448	29%	0.288	S	S	.	.	H	α-helix	trans	-59.3	-43.5	178.3	-67.3	0	0	0	0	112.3	P296 F297 H302 L303 M304	P296-S300 WeakPolarHBondContact O-CB 3.42Å; P296-S300 PolarHBondContact O-N 3.3Å; P296-S300 PolarHBondContact O-OG 3.19Å; P296-S300 VanDerWaalsContact O-OG 3.07Å; F297-S300 PolarHBondContact O-N 3.31Å; S300-H302 PolarHBondContact O-N 3.26Å; S300-L303 PolarHBondContact O-N 2.94Å; S300-M304 WeakPolarHBondContact O-CB 3.39Å; S300-M304 VanDerWaalsContact O-CG 3.24Å; S300-M304 WeakPolarHBondContact O-CG 3.25Å; S300-M304 PolarHBondContact O-N 3.42Å
301	F	94.3	Very high	92.2	Very high	21 Å²	21	53.1 Å²	53.1	9%	0.092	28%	0.283	C	S	.	.	H	α-helix	trans	-59.4	-48.3	179.1	177.8	-104.4	0	0	0	112.3	T274 F277 D278 F297 M298 L299 M304 N305	T274-F301 HydrophobicContact CG2-CE2 3.89Å; T274-F301 HydrophobicContact CG2-CZ 4.1Å; F277-F301 HydrophobicContact CD1-CB 4.48Å; F277-F301 HydrophobicContact CD1-CD1 4.01Å; F277-F301 AromaticContact CD1-CD2 3.87Å; F277-F301 HydrophobicContact CD1-CD2 3.87Å; F277-F301 HydrophobicContact CD1-CE1 4.11Å; F277-F301 HydrophobicContact CD1-CE2 4Å; F277-F301 AromaticContact CD1-CG 3.86Å; F277-F301 HydrophobicContact CD1-CG 3.86Å; F277-F301 HydrophobicContact CD1-CZ 4.1Å; F277-F301 HydrophobicContact CE1-CB 3.75Å; F277-F301 AromaticContact CE1-CD1 3.42Å; F277-F301 HydrophobicContact CE1-CD1 3.42Å; F277-F301 VanDerWaalsContact CE1-CD1 3.42Å; F277-F301 AromaticContact CE1-CD2 3.92Å; F277-F301 HydrophobicContact CE1-CD2 3.92Å; F277-F301 AromaticContact CE1-CE1 3.88Å; F277-F301 HydrophobicContact CE1-CE1 3.88Å; F277-F301 HydrophobicContact CE1-CE2 4.36Å; F277-F301 AromaticContact CE1-CG 3.41Å; F277-F301 HydrophobicContact CE1-CG 3.41Å; F277-F301 VanDerWaalsContact CE1-CG 3.41Å; F277-F301 HydrophobicContact CE1-CZ 4.32Å; F277-F301 HydrophobicContact CZ-CB 3.82Å; F277-F301 HydrophobicContact CZ-CD1 4.28Å; F277-F301 HydrophobicContact CZ-CG 4.03Å; D278-F301 VanDerWaalsContact OD1-CZ 3.24Å; D278-F301 WeakPolarHBondContact OD1-CZ 3.34Å; F297-F301 VanDerWaalsContact O-CB 3.24Å; F297-F301 WeakPolarHBondContact O-CB 3.49Å; F297-F301 PolarHBondContact O-N 3.1Å; M298-F301 PolarHBondContact O-N 2.82Å; L299-F301 PolarHBondContact O-N 3.13Å; F301-M304 PolarHBondContact O-N 3.13Å; F301-N305 WeakPolarHBondContact CE1-ND2 3.33Å; F301-N305 WeakPolarHBondContact CZ-ND2 3.45Å; F301-N305 PolarHBondContact O-N 3.45Å
302	H	95	Very high	92	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.005	28%	0.283	C	S	.	.	H	α-helix	trans	-69.9	-36.1	178.5	-71.6	-59.5	0	0	0	112.8	Y226 M298 L299 S300 M304 N305 S306 P315 C318 L319	Y226-H302 AromaticContact CE1-CE1 3.69Å; Y226-H302 AromaticContact CE1-NE2 3.54Å; Y226-H302 AromaticContact CZ-CE1 3.85Å; Y226-H302 AromaticContact CZ-NE2 3.49Å; Y226-H302 PolarHBondContact OH-CE1 3.15Å; Y226-H302 PolarHBondContact OH-NE2 2.92Å; M298-H302 PolarHBondContact O-CD2 2.99Å; M298-H302 PolarHBondContact O-N 3.16Å; L299-H302 PolarHBondContact O-N 2.93Å; S300-H302 PolarHBondContact O-N 3.26Å; H302-M304 VanDerWaalsContact C-N 3.34Å; H302-N305 PolarHBondContact O-N 3.21Å; H302-S306 PolarHBondContact O-N 3.19Å; H302-P315 HydrophobicContact CB-CB 4.27Å; H302-P315 WeakPolarHBondContact O-CB 3.38Å; H302-C318 VanDerWaalsContact CE1-CB 3.46Å; H302-C318 WeakPolarHBondContact CE1-CB 3.47Å; H302-L319 HydrophobicContact CB-CD1 4.33Å; H302-L319 HydrophobicContact CB-CD2 3.89Å; H302-L319 HydrophobicContact CB-CG 3.82Å
303	L	93.8	Very high	92	Very high	82 Å²	82	46.2 Å²	46.2	43%	0.429	25%	0.252	S	S	.	.	H	α-helix	trans	-66.5	-36	174	-69.3	171.8	0	0	0	112.2	L299 S300 S306 W316 L319	L299-L303 WeakPolarHBondContact O-CB 3.49Å; L299-L303 VanDerWaalsContact O-CG 3.22Å; L299-L303 WeakPolarHBondContact O-CG 3.26Å; L299-L303 PolarHBondContact O-N 2.97Å; S300-L303 PolarHBondContact O-N 2.94Å; L303-S306 PolarHBondContact O-OG 3.42Å; L303-W316 HydrophobicContact CD2-CZ3 4.39Å; L303-L319 HydrophobicContact CD2-CD1 3.9Å; L303-L319 HydrophobicContact CG-CD1 4.31Å
304	M	91.8	Very high	92	Very high	53 Å²	53	40.9 Å²	40.9	26%	0.261	22%	0.223	S	C	.	.	H	α-helix	trans	-65.8	-47	172.2	-73.9	173.7	68.7	0	0	110.8	V252 F253 S300 F301 H302 S306 R307 L308	V252-M304 HydrophobicContact CG1-CB 4.2Å; V252-M304 HydrophobicContact CG1-CE 3.41Å; V252-M304 VanDerWaalsContact CG1-CE 3.41Å; V252-M304 HydrophobicContact CG1-CG 3.71Å; V252-M304 HydrophobicContact CG1-SD 4.24Å; F253-M304 HydrophobicContact CE1-CE 3.82Å; F253-M304 HydrophobicContact CZ-CE 3.99Å; S300-M304 WeakPolarHBondContact O-CB 3.39Å; S300-M304 VanDerWaalsContact O-CG 3.24Å; S300-M304 WeakPolarHBondContact O-CG 3.25Å; S300-M304 PolarHBondContact O-N 3.42Å; F301-M304 PolarHBondContact O-N 3.13Å; H302-M304 VanDerWaalsContact C-N 3.34Å; M304-S306 VanDerWaalsContact C-N 3.25Å; M304-S306 PolarHBondContact O-N 3.13Å; M304-R307 PolarHBondContact O-N 3.09Å; M304-L308 HydrophobicContact CB-CD1 4.31Å; M304-L308 WeakPolarHBondContact O-CG 3.39Å; M304-L308 PolarHBondContact O-N 3.13Å
305	N	91.4	Very high	91.9	Very high	20 Å²	20	40 Å²	40	11%	0.107	22%	0.218	C	C	.	.	H	α-helix	trans	-62.4	-31.4	178.7	-73.3	-13.3	0	0	0	112.9	F301 H302 R307 F309 I311	F301-N305 WeakPolarHBondContact CE1-ND2 3.33Å; F301-N305 WeakPolarHBondContact CZ-ND2 3.45Å; F301-N305 PolarHBondContact O-N 3.45Å; H302-N305 PolarHBondContact O-N 3.21Å; N305-R307 PolarHBondContact O-N 3.27Å; N305-F309 HydrophobicContact CB-CD2 4.25Å; N305-F309 PolarHBondContact O-N 3.01Å; N305-F309 VanDerWaalsContact O-N 3.12Å; N305-I311 HydrophobicContact CB-CD1 4.34Å
306	S	90.4	Very high	91.9	Very high	18 Å²	18	43.8 Å²	43.8	13%	0.126	23%	0.231	C	C	.	.	H	α-helix	trans	-70.1	-10.6	175.3	82.7	0	0	0	0	114	H302 L303 M304	H302-S306 PolarHBondContact O-N 3.19Å; L303-S306 PolarHBondContact O-OG 3.42Å; M304-S306 VanDerWaalsContact C-N 3.25Å; M304-S306 PolarHBondContact O-N 3.13Å
307	R	89.9	Confident	91.9	Very high	52 Å²	52	40.4 Å²	40.4	20%	0.196	21%	0.208	C	C	.	.	H	α-helix	trans	-107.8	-38.1	175	-58.9	-61.3	90.9	173.8	-4.1	112.1	W251 V252 M304 N305 E636	W251-R307 HydrophobicContact CZ2-CB 4.26Å; W251-R307 HydrophobicContact CZ2-CG 4.08Å; V252-R307 HydrophobicContact CG2-CB 4.16Å; M304-R307 PolarHBondContact O-N 3.09Å; N305-R307 PolarHBondContact O-N 3.27Å; R307-E636 IonicContact CZ-OE1 3.9Å; R307-E636 IonicContact CZ-OE2 3.81Å; R307-E636 VanDerWaalsContact NH1-CD 3.33Å; R307-E636 IonicContact NH1-OE1 3.07Å; R307-E636 PolarHBondContact NH1-OE1 3.47Å; R307-E636 IonicContact NH1-OE2 3.09Å; R307-E636 PolarHBondContact NH1-OE2 2.94Å; R307-E636 IonicContact NH2-OE1 3.05Å; R307-E636 IonicContact NH2-OE2 3.78Å; R307-E636 PolarHBondContact NH2-OE2 3.37Å
308	L	87.3	Confident	92	Very high	25 Å²	25	35 Å²	35	13%	0.131	19%	0.185	C	C	.	.	H	α-helix	trans	-71.4	-32.9	-178.9	-70.3	170.9	0	0	0	112.7	L247 H250 V252 F253 M304	L247-L308 HydrophobicContact CD1-CD2 4.05Å; L247-L308 HydrophobicContact CD2-CD1 4.35Å; L247-L308 HydrophobicContact CD2-CD2 4.42Å; L247-L308 HydrophobicContact CG-CD2 4.09Å; H250-L308 HydrophobicContact CB-CD2 3.95Å; H250-L308 WeakPolarHBondContact ND1-CD2 3.18Å; V252-L308 HydrophobicContact CB-CD2 4.24Å; V252-L308 HydrophobicContact CG2-CD2 4.45Å; F253-L308 HydrophobicContact CD2-CD2 4.29Å; F253-L308 HydrophobicContact CE2-CD1 3.91Å; F253-L308 HydrophobicContact CE2-CD2 3.68Å; F253-L308 HydrophobicContact CE2-CG 4.46Å; F253-L308 HydrophobicContact CZ-CD1 4.02Å; M304-L308 HydrophobicContact CB-CD1 4.31Å; M304-L308 WeakPolarHBondContact O-CG 3.39Å; M304-L308 PolarHBondContact O-N 3.13Å
309	F	86.3	Confident	92.1	Very high	34 Å²	34	36.2 Å²	36.2	15%	0.149	19%	0.191	C	C	.	.			trans	-131.1	141.3	-170.7	-52.6	-58.7	0	0	0	111.9	M244 L247 N305 I311 M401	M244-F309 HydrophobicContact CE-CD1 4.29Å; M244-F309 HydrophobicContact CE-CE1 3.46Å; M244-F309 VanDerWaalsContact CE-CE1 3.46Å; M244-F309 HydrophobicContact CE-CZ 3.84Å; M244-F309 HydrophobicContact SD-CE1 3.72Å; M244-F309 HydrophobicContact SD-CZ 3.65Å; L247-F309 HydrophobicContact CD1-CE1 4.31Å; L247-F309 HydrophobicContact CD2-CE1 4.02Å; L247-F309 HydrophobicContact CD2-CZ 3.76Å; N305-F309 HydrophobicContact CB-CD2 4.25Å; N305-F309 PolarHBondContact O-N 3.01Å; N305-F309 VanDerWaalsContact O-N 3.12Å; F309-I311 VanDerWaalsContact C-N 3.31Å; F309-I311 HydrophobicContact CB-CB 4.4Å; F309-I311 HydrophobicContact CB-CD1 4.06Å; F309-I311 HydrophobicContact CB-CG1 3.95Å; F309-I311 HydrophobicContact CB-CG2 3.77Å; F309-I311 HydrophobicContact CD2-CD1 4.41Å; F309-I311 PolarHBondContact O-N 2.9Å; F309-I311 VanDerWaalsContact O-N 3.12Å; F309-M401 HydrophobicContact CB-CE 3.7Å; F309-M401 HydrophobicContact CD1-CE 3.26Å; F309-M401 HydrophobicContact CD2-CE 4.12Å; F309-M401 HydrophobicContact CE1-CE 3.82Å; F309-M401 HydrophobicContact CG-CE 3.42Å; F309-M401 VanDerWaalsContact CG-CE 3.42Å; F309-M401 HydrophobicContact CZ-CE 4.44Å
310	V	82.2	Confident	92.1	Very high	144 Å²	144	33.6 Å²	33.6	87%	0.873	18%	0.179	S	C	*	.			trans	-85.4	78.2	169.8	-170.9	0	0	0	0	108.1
311	I	84	Confident	92.1	Very high	22 Å²	22	30.5 Å²	30.5	11%	0.113	16%	0.158	C	C	.	.			trans	-120.1	26.7	-175.2	55.4	174.8	0	0	0	112.8	N305 F309 F314 P315 M401	N305-I311 HydrophobicContact CB-CD1 4.34Å; F309-I311 VanDerWaalsContact C-N 3.31Å; F309-I311 HydrophobicContact CB-CB 4.4Å; F309-I311 HydrophobicContact CB-CD1 4.06Å; F309-I311 HydrophobicContact CB-CG1 3.95Å; F309-I311 HydrophobicContact CB-CG2 3.77Å; F309-I311 HydrophobicContact CD2-CD1 4.41Å; F309-I311 PolarHBondContact O-N 2.9Å; F309-I311 VanDerWaalsContact O-N 3.12Å; I311-F314 HydrophobicContact CD1-CD1 3.85Å; I311-F314 WeakPolarHBondContact O-CB 3.34Å; I311-P315 HydrophobicContact CD1-CG 3.92Å; I311-P315 HydrophobicContact CG1-CG 4Å; I311-M401 HydrophobicContact CG2-CE 3.9Å
312	G	87.3	Confident	92.2	Very high	12 Å²	12	29.8 Å²	29.8	12%	0.124	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	63	-141.7	171.3	0	0	0	0	0	115	E99 F314	E99-G312 WeakPolarHBondContact OE1-CA 3.12Å; E99-G312 PolarHBondContact OE1-N 2.93Å; G312-F314 PolarHBondContact O-N 3.46Å
313	M	93.3	Very high	92.2	Very high	11 Å²	11	31.2 Å²	31.2	5%	0.054	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	0.6	-176.9	-66.5	-51.7	-65.7	0	0	114.8	A91 I94 D95 F180 W316 V317	A91-M313 HydrophobicContact CB-CE 3.93Å; I94-M313 HydrophobicContact CB-CE 4.3Å; I94-M313 HydrophobicContact CB-CG 4.39Å; I94-M313 HydrophobicContact CB-SD 4.09Å; I94-M313 HydrophobicContact CD1-CE 4.06Å; I94-M313 HydrophobicContact CG2-CE 4.4Å; I94-M313 HydrophobicContact CG2-CG 4.3Å; I94-M313 HydrophobicContact CG2-SD 3.67Å; D95-M313 HydrophobicContact CB-CB 4.2Å; D95-M313 HydrophobicContact CB-CG 3.81Å; F180-M313 HydrophobicContact CE2-CB 4.28Å; F180-M313 HydrophobicContact CZ-CB 4.26Å; M313-W316 HydrophobicContact CE-CB 3.8Å; M313-W316 HydrophobicContact CE-CG 3.88Å; M313-W316 PolarHBondContact O-N 3.12Å; M313-V317 WeakPolarHBondContact O-CG2 3.24Å; M313-V317 PolarHBondContact O-N 2.82Å
314	F	94.3	Very high	92.2	Very high	11 Å²	11	27.4 Å²	27.4	5%	0.048	14%	0.144	C	C	.	.	H	α-helix	trans	-58.4	-52.2	-173.7	171.6	-106.8	0	0	0	114.5	H176 L179 F180 L225 I311 G312 W316 V317 C318 M400	H176-F314 HydrophobicContact CB-CB 3.84Å; H176-F314 HydrophobicContact CB-CD2 3.92Å; H176-F314 HydrophobicContact CB-CG 4.14Å; H176-F314 AromaticContact CD2-CD1 3.76Å; H176-F314 AromaticContact CD2-CD2 3.08Å; H176-F314 WeakPolarHBondContact CD2-CD2 3.16Å; H176-F314 AromaticContact CD2-CE2 3.37Å; H176-F314 WeakPolarHBondContact CD2-CE2 3.33Å; H176-F314 AromaticContact CD2-CG 3.27Å; H176-F314 WeakPolarHBondContact CD2-CG 3.18Å; H176-F314 AromaticContact CD2-CZ 3.84Å; H176-F314 AromaticContact CE1-CD1 3.55Å; H176-F314 AromaticContact CE1-CG 3.56Å; H176-F314 AromaticContact CG-CD2 3.44Å; H176-F314 VanDerWaalsContact CG-CD2 3.44Å; H176-F314 AromaticContact CG-CG 3.4Å; H176-F314 VanDerWaalsContact ND1-CB 3.33Å; H176-F314 WeakPolarHBondContact ND1-CB 3.07Å; H176-F314 AromaticContact ND1-CG 3.57Å; H176-F314 AromaticContact NE2-CD1 3.38Å; H176-F314 WeakPolarHBondContact NE2-CD1 3.1Å; H176-F314 AromaticContact NE2-CD2 3.65Å; H176-F314 AromaticContact NE2-CE1 3.55Å; H176-F314 AromaticContact NE2-CE2 3.79Å; H176-F314 AromaticContact NE2-CG 3.41Å; H176-F314 WeakPolarHBondContact NE2-CG 3.38Å; H176-F314 AromaticContact NE2-CZ 3.75Å; L179-F314 HydrophobicContact CD2-CD2 4.14Å; L179-F314 HydrophobicContact CD2-CE2 3.89Å; F180-F314 HydrophobicContact CZ-CB 4.32Å; L225-F314 HydrophobicContact CD1-CE2 4.31Å; L225-F314 HydrophobicContact CD2-CE2 3.84Å; L225-F314 HydrophobicContact CD2-CZ 4.13Å; I311-F314 HydrophobicContact CD1-CD1 3.85Å; I311-F314 WeakPolarHBondContact O-CB 3.34Å; G312-F314 PolarHBondContact O-N 3.46Å; F314-W316 PolarHBondContact O-N 2.88Å; F314-V317 PolarHBondContact O-N 3.34Å; F314-C318 WeakPolarHBondContact CE2-SG 3.41Å; F314-C318 VanDerWaalsContact CZ-SG 3.58Å; F314-C318 PolarHBondContact O-N 2.92Å; F314-C318 PolarHBondContact O-SG 3.4Å; F314-C318 VanDerWaalsContact O-SG 3.41Å; F314-M400 HydrophobicContact CE1-SD 4.29Å; F314-M400 HydrophobicContact CE2-SD 4.25Å; F314-M400 HydrophobicContact CZ-CE 4.19Å; F314-M400 HydrophobicContact CZ-SD 3.74Å
315	P	95.1	Very high	92.2	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.006	13%	0.133	C	C	.	.	H	α-helix	trans	-58.8	-36.8	178.6	-23.7	34.6	0	0	0	112.6	H302 I311 C318 L319	H302-P315 HydrophobicContact CB-CB 4.27Å; H302-P315 WeakPolarHBondContact O-CB 3.38Å; I311-P315 HydrophobicContact CD1-CG 3.92Å; I311-P315 HydrophobicContact CG1-CG 4Å; P315-C318 PolarHBondContact O-N 3.3Å; P315-L319 WeakPolarHBondContact O-CB 2.9Å; P315-L319 WeakPolarHBondContact O-CG 3.44Å; P315-L319 PolarHBondContact O-N 2.88Å
316	W	95.6	Very high	92.3	Very high	95 Å²	95	27.2 Å²	27.2	36%	0.36	14%	0.141	S	C	.	.	H	α-helix	trans	-70.1	-37.6	-179.8	-54.2	107.6	0	0	0	112.4	L303 M313 F314 L319 A320	L303-W316 HydrophobicContact CD2-CZ3 4.39Å; M313-W316 HydrophobicContact CE-CB 3.8Å; M313-W316 HydrophobicContact CE-CG 3.88Å; M313-W316 PolarHBondContact O-N 3.12Å; F314-W316 PolarHBondContact O-N 2.88Å; W316-L319 HydrophobicContact CE3-CD1 3.96Å; W316-L319 HydrophobicContact CZ3-CD1 4.27Å; W316-L319 PolarHBondContact O-N 3.23Å; W316-A320 WeakPolarHBondContact O-CB 3.48Å; W316-A320 PolarHBondContact O-N 3.47Å
317	V	97.1	Very high	92.3	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-67.3	-41.3	173.9	170.5	0	0	0	0	111	Y88 A91 M92 F180 F222 M313 F314 L319 A320 E321	Y88-V317 HydrophobicContact CD2-CG1 4.31Å; A91-V317 HydrophobicContact CB-CG2 3.75Å; M92-V317 HydrophobicContact CE-CG2 4.06Å; F180-V317 HydrophobicContact CD1-CG1 4.26Å; F180-V317 HydrophobicContact CD1-CG2 4.33Å; F180-V317 HydrophobicContact CE1-CB 3.76Å; F180-V317 HydrophobicContact CE1-CG1 3.83Å; F180-V317 HydrophobicContact CE1-CG2 3.62Å; F180-V317 HydrophobicContact CZ-CB 4.3Å; F180-V317 HydrophobicContact CZ-CG2 3.88Å; F222-V317 HydrophobicContact CE1-CG1 4.17Å; F222-V317 HydrophobicContact CZ-CG1 3.78Å; M313-V317 WeakPolarHBondContact O-CG2 3.24Å; M313-V317 PolarHBondContact O-N 2.82Å; F314-V317 PolarHBondContact O-N 3.34Å; V317-L319 VanDerWaalsContact C-N 3.35Å; V317-A320 WeakPolarHBondContact O-CB 3.47Å; V317-A320 PolarHBondContact O-N 3.49Å; V317-E321 PolarHBondContact O-N 3.09Å; V317-E321 VanDerWaalsContact O-N 3.1Å
318	C	96.5	Very high	92.4	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-62.4	-40.9	173	-68.3	0	0	0	0	111.9	Y226 H302 F314 P315 E321 V322	Y226-C318 WeakPolarHBondContact OH-CB 3.32Å; H302-C318 VanDerWaalsContact CE1-CB 3.46Å; H302-C318 WeakPolarHBondContact CE1-CB 3.47Å; F314-C318 WeakPolarHBondContact CE2-SG 3.41Å; F314-C318 VanDerWaalsContact CZ-SG 3.58Å; F314-C318 PolarHBondContact O-N 2.92Å; F314-C318 PolarHBondContact O-SG 3.4Å; F314-C318 VanDerWaalsContact O-SG 3.41Å; P315-C318 PolarHBondContact O-N 3.3Å; C318-E321 WeakPolarHBondContact O-CB 3.31Å; C318-E321 PolarHBondContact O-N 2.95Å; C318-V322 WeakPolarHBondContact O-CG2 3.3Å; C318-V322 PolarHBondContact O-N 3.27Å
319	L	97.1	Very high	92.6	Very high	29 Å²	29	29.5 Å²	29.5	15%	0.152	16%	0.157	C	C	.	.	H	α-helix	trans	-63.9	-39.6	173.3	-72.4	170.9	0	0	0	112.3	L299 H302 L303 P315 W316 V317 E321 V322 P323	L299-L319 HydrophobicContact CB-CD2 4.41Å; L299-L319 HydrophobicContact CD2-CD2 3.44Å; L299-L319 VanDerWaalsContact CD2-CD2 3.44Å; H302-L319 HydrophobicContact CB-CD1 4.33Å; H302-L319 HydrophobicContact CB-CD2 3.89Å; H302-L319 HydrophobicContact CB-CG 3.82Å; L303-L319 HydrophobicContact CD2-CD1 3.9Å; L303-L319 HydrophobicContact CG-CD1 4.31Å; P315-L319 WeakPolarHBondContact O-CB 2.9Å; P315-L319 WeakPolarHBondContact O-CG 3.44Å; P315-L319 PolarHBondContact O-N 2.88Å; W316-L319 HydrophobicContact CE3-CD1 3.96Å; W316-L319 HydrophobicContact CZ3-CD1 4.27Å; W316-L319 PolarHBondContact O-N 3.23Å; V317-L319 VanDerWaalsContact C-N 3.35Å; L319-E321 PolarHBondContact O-N 3Å; L319-V322 PolarHBondContact O-N 3.46Å; L319-P323 WeakPolarHBondContact O-CD 3.38Å
320	A	96.8	Very high	92.9	Very high	10 Å²	10	30.6 Å²	30.6	8%	0.083	16%	0.16	C	C	.	.	H	α-helix	trans	-65.2	-25.6	177.3	0	0	0	0	0	113	F84 L87 W316 V317 P323	F84-A320 WeakPolarHBondContact CD2-O 3.28Å; L87-A320 HydrophobicContact CB-CB 3.62Å; L87-A320 HydrophobicContact CD1-CB 3.98Å; L87-A320 HydrophobicContact CG-CB 4.46Å; W316-A320 WeakPolarHBondContact O-CB 3.48Å; W316-A320 PolarHBondContact O-N 3.47Å; V317-A320 WeakPolarHBondContact O-CB 3.47Å; V317-A320 PolarHBondContact O-N 3.49Å; A320-P323 WeakPolarHBondContact O-CD 3.4Å
321	E	95.8	Very high	93.3	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-75.5	-35.4	176.4	-169.4	-142.4	165.2	0	0	112.7	F84 F222 V317 C318 L319 P323 L324 F325	F84-E321 HydrophobicContact CD2-CB 4.47Å; F84-E321 HydrophobicContact CE2-CB 4.11Å; F84-E321 HydrophobicContact CE2-CG 4.45Å; F222-E321 HydrophobicContact CB-CG 4.35Å; F222-E321 WeakPolarHBondContact CB-OE1 3.49Å; F222-E321 WeakPolarHBondContact CB-OE2 3.46Å; F222-E321 HydrophobicContact CD1-CB 4.46Å; F222-E321 HydrophobicContact CD1-CG 4.25Å; F222-E321 WeakPolarHBondContact CD1-OE2 3.45Å; F222-E321 HydrophobicContact CD2-CB 4.38Å; F222-E321 HydrophobicContact CD2-CG 3.58Å; F222-E321 HydrophobicContact CE1-CB 4.26Å; F222-E321 HydrophobicContact CE1-CG 4.42Å; F222-E321 HydrophobicContact CE2-CB 4.2Å; F222-E321 HydrophobicContact CE2-CG 3.79Å; F222-E321 HydrophobicContact CG-CG 3.84Å; F222-E321 WeakPolarHBondContact CG-OE1 3.28Å; F222-E321 WeakPolarHBondContact CG-OE2 3.34Å; F222-E321 HydrophobicContact CZ-CB 4.14Å; F222-E321 HydrophobicContact CZ-CG 4.21Å; V317-E321 PolarHBondContact O-N 3.09Å; V317-E321 VanDerWaalsContact O-N 3.1Å; C318-E321 WeakPolarHBondContact O-CB 3.31Å; C318-E321 PolarHBondContact O-N 2.95Å; L319-E321 PolarHBondContact O-N 3Å; E321-P323 VanDerWaalsContact C-N 3.31Å; E321-P323 VanDerWaalsContact O-N 3.08Å; E321-L324 HydrophobicContact CG-CD1 3.98Å; E321-L324 WeakPolarHBondContact O-CB 3.23Å; E321-L324 WeakPolarHBondContact O-CG 3.27Å; E321-L324 PolarHBondContact O-N 3.48Å; E321-F325 HydrophobicContact CG-CE2 4.37Å; E321-F325 WeakPolarHBondContact OE1-CE2 3.34Å; E321-F325 WeakPolarHBondContact OE1-CZ 3.35Å
322	V	95.5	Very high	93.4	Very high	5 Å²	5	26 Å²	26	3%	0.03	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-44.9	-46	-175.6	177.2	0	0	0	0	113.8	M285 T295 M298 L299 C318 L319 L324 F325 F326	M285-V322 HydrophobicContact CE-CG1 3.99Å; T295-V322 HydrophobicContact CG2-CG1 4.09Å; M298-V322 HydrophobicContact CE-CG2 3.77Å; M298-V322 HydrophobicContact CG-CG2 4.19Å; M298-V322 HydrophobicContact SD-CG2 3.72Å; L299-V322 HydrophobicContact CD2-CG1 4.44Å; L299-V322 HydrophobicContact CD2-CG2 4.37Å; C318-V322 WeakPolarHBondContact O-CG2 3.3Å; C318-V322 PolarHBondContact O-N 3.27Å; L319-V322 PolarHBondContact O-N 3.46Å; V322-L324 PolarHBondContact O-N 2.92Å; V322-L324 VanDerWaalsContact O-N 3.11Å; V322-F325 PolarHBondContact O-N 2.94Å; V322-F325 VanDerWaalsContact O-N 3.1Å; V322-F326 HydrophobicContact CG1-CE2 4.15Å
323	P	94.3	Very high	93.3	Very high	32 Å²	32	31.9 Å²	31.9	21%	0.208	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-61.5	-19.8	178.9	-22.5	34.7	0	0	0	115	L319 A320 E321 F325 F326 W330	L319-P323 WeakPolarHBondContact O-CD 3.38Å; A320-P323 WeakPolarHBondContact O-CD 3.4Å; E321-P323 VanDerWaalsContact C-N 3.31Å; E321-P323 VanDerWaalsContact O-N 3.08Å; P323-F325 PolarHBondContact O-N 3.46Å; P323-F326 PolarHBondContact O-N 2.87Å; P323-W330 HydrophobicContact CB-CH2 4.39Å; P323-W330 HydrophobicContact CB-CZ2 3.44Å; P323-W330 VanDerWaalsContact CB-CZ2 3.44Å; P323-W330 HydrophobicContact CG-CZ2 4.29Å; P323-W330 PolarHBondContact O-NE1 3.29Å; P323-W330 VanDerWaalsContact O-NE1 3.08Å
324	L	94.3	Very high	92.8	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.005	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-64.6	-26.3	175.7	-67.5	178.7	0	0	0	112.3	A80 L81 F84 Y215 I218 K219 E321 V322 F326	A80-L324 HydrophobicContact CB-CD2 4.42Å; L81-L324 HydrophobicContact CD1-CD2 4.42Å; F84-L324 HydrophobicContact CB-CD1 4.04Å; F84-L324 HydrophobicContact CB-CD2 3.68Å; F84-L324 HydrophobicContact CB-CG 3.94Å; F84-L324 HydrophobicContact CD1-CD1 4.12Å; F84-L324 HydrophobicContact CD2-CD1 3.82Å; F84-L324 HydrophobicContact CD2-CG 4.32Å; F84-L324 HydrophobicContact CE2-CD1 4.29Å; F84-L324 HydrophobicContact CG-CD1 3.71Å; F84-L324 HydrophobicContact CG-CD2 4.27Å; F84-L324 HydrophobicContact CG-CG 4.16Å; Y215-L324 HydrophobicContact CD1-CD2 4.02Å; Y215-L324 HydrophobicContact CE1-CD2 3.79Å; I218-L324 HydrophobicContact CB-CD1 4.37Å; I218-L324 HydrophobicContact CG2-CD1 3.62Å; K219-L324 WeakPolarHBondContact CE-O 3.24Å; K219-L324 PolarHBondContact NZ-O 2.97Å; E321-L324 HydrophobicContact CG-CD1 3.98Å; E321-L324 WeakPolarHBondContact O-CB 3.23Å; E321-L324 WeakPolarHBondContact O-CG 3.27Å; E321-L324 PolarHBondContact O-N 3.48Å; V322-L324 PolarHBondContact O-N 2.92Å; V322-L324 VanDerWaalsContact O-N 3.11Å; L324-F326 VanDerWaalsContact C-N 3.29Å; L324-F326 PolarHBondContact O-N 3.35Å
325	F	92.3	Very high	91.4	Very high	8 Å²	8	40.1 Å²	40.1	4%	0.035	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-73.7	-20.8	179.7	-70.8	-85.8	0	0	0	112.8	K219 M285 R291 E321 V322 P323	K219-F325 HydrophobicContact CD-CE1 4.44Å; K219-F325 HydrophobicContact CG-CE1 4.4Å; K219-F325 HydrophobicContact CG-CZ 4.49Å; M285-F325 HydrophobicContact CB-CD1 4.05Å; M285-F325 HydrophobicContact CB-CE1 4.15Å; M285-F325 HydrophobicContact CB-CG 4.27Å; M285-F325 HydrophobicContact CB-CZ 4.46Å; M285-F325 HydrophobicContact CE-CB 3.82Å; M285-F325 HydrophobicContact CE-CD2 3.82Å; M285-F325 HydrophobicContact CE-CG 3.88Å; R291-F325 WeakPolarHBondContact CD-O 3.13Å; R291-F325 PolarHBondContact NE-O 2.87Å; R291-F325 PolarHBondContact NH1-O 2.94Å; R291-F325 PolarHBondContact NH2-O 2.62Å; E321-F325 HydrophobicContact CG-CE2 4.37Å; E321-F325 WeakPolarHBondContact OE1-CE2 3.34Å; E321-F325 WeakPolarHBondContact OE1-CZ 3.35Å; V322-F325 PolarHBondContact O-N 2.94Å; V322-F325 VanDerWaalsContact O-N 3.1Å; P323-F325 PolarHBondContact O-N 3.46Å
326	F	92.4	Very high	89.6	Confident	62 Å²	62	44.7 Å²	44.7	27%	0.272	23%	0.228	S	C	.	.	S	Bend	trans	-81.9	-178.1	179.3	-65.8	-90.2	0	0	0	112.7	R291 T295 V322 P323 L324 F328	R291-F326 HydrophobicContact CG-CE1 4.29Å; R291-F326 HydrophobicContact CG-CZ 4.19Å; T295-F326 HydrophobicContact CG2-CE2 4.44Å; T295-F326 HydrophobicContact CG2-CZ 4.13Å; T295-F326 WeakPolarHBondContact OG1-CZ 3.22Å; V322-F326 HydrophobicContact CG1-CE2 4.15Å; P323-F326 PolarHBondContact O-N 2.87Å; L324-F326 VanDerWaalsContact C-N 3.29Å; L324-F326 PolarHBondContact O-N 3.35Å; F326-F328 PolarHBondContact O-N 3.32Å
327	S	90.8	Very high	87.2	Confident	47 Å²	47	52.5 Å²	52.5	33%	0.329	26%	0.258	S	S	.	.			trans	-53.6	132	178.5	51.5	0	0	0	0	111.6	D329 W330	S327-D329 PolarHBondContact O-N 3.02Å; S327-W330 WeakPolarHBondContact O-CB 3.19Å; S327-W330 PolarHBondContact O-N 2.87Å; S327-W330 WeakPolarHBondContact OG-CB 3.45Å
328	F	92.6	Very high	84.6	Confident	51 Å²	51	57 Å²	57	22%	0.224	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-26.3	-169.9	-55.1	-70.3	0	0	0	114.9	V76 D77 A80 Y212 Y215 F326	V76-F328 HydrophobicContact CB-CD1 4.48Å; V76-F328 HydrophobicContact CB-CD2 3.88Å; V76-F328 HydrophobicContact CB-CE2 4.2Å; V76-F328 HydrophobicContact CB-CG 4.05Å; V76-F328 HydrophobicContact CG1-CD2 3.96Å; V76-F328 HydrophobicContact CG1-CE2 3.8Å; V76-F328 HydrophobicContact CG1-CZ 4.26Å; V76-F328 HydrophobicContact CG2-CD1 4.49Å; D77-F328 HydrophobicContact CB-CB 4.26Å; D77-F328 WeakPolarHBondContact O-CB 3.29Å; A80-F328 WeakPolarHBondContact CB-O 3.22Å; A80-F328 PolarHBondContact N-O 3.36Å; Y212-F328 HydrophobicContact CD2-CE1 4.04Å; Y212-F328 AromaticContact CD2-CZ 3.72Å; Y212-F328 HydrophobicContact CD2-CZ 3.72Å; Y212-F328 AromaticContact CE2-CE1 3.87Å; Y212-F328 HydrophobicContact CE2-CE1 3.87Å; Y212-F328 AromaticContact CE2-CZ 3.54Å; Y212-F328 HydrophobicContact CE2-CZ 3.54Å; Y215-F328 AromaticContact CD1-CD1 3.9Å; Y215-F328 HydrophobicContact CD1-CD1 3.9Å; Y215-F328 AromaticContact CD1-CE1 3.96Å; Y215-F328 HydrophobicContact CD1-CE1 3.96Å; Y215-F328 HydrophobicContact CD2-CD1 4.01Å; Y215-F328 HydrophobicContact CD2-CE1 4.09Å; Y215-F328 AromaticContact CE1-CD1 3.7Å; Y215-F328 HydrophobicContact CE1-CD1 3.7Å; Y215-F328 HydrophobicContact CE1-CE1 4.24Å; Y215-F328 AromaticContact CE2-CD1 3.82Å; Y215-F328 HydrophobicContact CE2-CD1 3.82Å; Y215-F328 HydrophobicContact CE2-CE1 4.37Å; Y215-F328 HydrophobicContact CG-CD1 4.04Å; Y215-F328 AromaticContact CG-CE1 3.87Å; Y215-F328 HydrophobicContact CG-CE1 3.87Å; Y215-F328 AromaticContact CZ-CD1 3.65Å; F326-F328 PolarHBondContact O-N 3.32Å
329	D	91.5	Very high	82.2	Confident	45 Å²	45	66.6 Å²	66.6	24%	0.241	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	5.6	-178.1	63.5	-36.4	0	0	0	113.9	D77 S327 P331 R332 R333	D77-D329 HydrophobicContact CB-CB 4.06Å; S327-D329 PolarHBondContact O-N 3.02Å; D329-P331 VanDerWaalsContact C-N 3.28Å; D329-P331 VanDerWaalsContact O-N 3.13Å; D329-R332 WeakPolarHBondContact O-CB 3.18Å; D329-R332 PolarHBondContact O-N 3.05Å; D329-R333 VanDerWaalsContact CG-NE 3.3Å; D329-R333 VanDerWaalsContact CG-NH2 3.32Å; D329-R333 PolarHBondContact O-N 3.38Å; D329-R333 IonicContact OD1-CZ 3.65Å; D329-R333 IonicContact OD1-NE 3.7Å; D329-R333 PolarHBondContact OD1-NE 3.15Å; D329-R333 IonicContact OD1-NH2 2.8Å; D329-R333 PolarHBondContact OD1-NH2 3.41Å; D329-R333 VanDerWaalsContact OD1-NH2 3.07Å; D329-R333 IonicContact OD2-CZ 3.49Å; D329-R333 IonicContact OD2-NE 3.4Å; D329-R333 PolarHBondContact OD2-NE 3.34Å; D329-R333 IonicContact OD2-NH2 3.07Å; D329-R333 PolarHBondContact OD2-NH2 2.98Å
330	W	91.5	Very high	79.6	Confident	56 Å²	56	69.5 Å²	69.5	21%	0.212	35%	0.346	C	S	.	.	H	α-helix	trans	-48.9	-39.9	179.9	76.5	-104.5	0	0	0	114.1	I83 P323 S327 R332 R333 L334	I83-W330 HydrophobicContact CB-CZ2 4.35Å; I83-W330 HydrophobicContact CG1-CH2 4.48Å; I83-W330 HydrophobicContact CG1-CZ2 4.42Å; I83-W330 HydrophobicContact CG2-CH2 4.14Å; I83-W330 HydrophobicContact CG2-CZ2 4.06Å; P323-W330 HydrophobicContact CB-CH2 4.39Å; P323-W330 HydrophobicContact CB-CZ2 3.44Å; P323-W330 VanDerWaalsContact CB-CZ2 3.44Å; P323-W330 HydrophobicContact CG-CZ2 4.29Å; P323-W330 PolarHBondContact O-NE1 3.29Å; P323-W330 VanDerWaalsContact O-NE1 3.08Å; S327-W330 WeakPolarHBondContact O-CB 3.19Å; S327-W330 PolarHBondContact O-N 2.87Å; S327-W330 WeakPolarHBondContact OG-CB 3.45Å; W330-R332 PolarHBondContact O-N 3Å; W330-R333 PolarHBondContact O-N 3.2Å; W330-R333 VanDerWaalsContact O-N 3.16Å; W330-L334 HydrophobicContact CE3-CD1 3.52Å; W330-L334 HydrophobicContact CE3-CG 4.23Å; W330-L334 HydrophobicContact CZ3-CD1 3.47Å; W330-L334 VanDerWaalsContact CZ3-CD1 3.47Å; W330-L334 PolarHBondContact O-N 3.44Å
331	P	91.4	Very high	76.7	Confident	11 Å²	11	77.4 Å²	77.4	7%	0.071	38%	0.381	C	S	.	.	H	α-helix	trans	-64.8	-30.8	-178.5	-20.7	33.5	0	0	0	112.5	A79 I83 Y195 D329 G335	A79-P331 HydrophobicContact CB-CB 4.24Å; A79-P331 HydrophobicContact CB-CG 3.87Å; I83-P331 HydrophobicContact CG1-CB 3.92Å; I83-P331 HydrophobicContact CG1-CG 3.74Å; Y195-P331 HydrophobicContact CE1-CB 3.8Å; Y195-P331 HydrophobicContact CE1-CG 4.45Å; D329-P331 VanDerWaalsContact C-N 3.28Å; D329-P331 VanDerWaalsContact O-N 3.13Å; P331-G335 PolarHBondContact O-N 3.41Å
332	R	86.1	Confident	74	Confident	58 Å²	58	83.5 Å²	83.5	22%	0.219	41%	0.414	C	S	.	.	H	α-helix	trans	-74.7	-35.4	178.5	-59.2	-175.6	-169.7	-78.4	-5.5	111.4	D77 A79 Y195 H208 D329 W330 L334 G335 N336	D77-R332 VanDerWaalsContact CG-NE 3.33Å; D77-R332 IonicContact OD1-CZ 3.19Å; D77-R332 IonicContact OD1-NE 2.77Å; D77-R332 PolarHBondContact OD1-NE 2.93Å; D77-R332 VanDerWaalsContact OD1-NE 3.07Å; D77-R332 IonicContact OD1-NH2 2.75Å; D77-R332 PolarHBondContact OD1-NH2 2.81Å; D77-R332 VanDerWaalsContact OD1-NH2 3.09Å; D77-R332 WeakPolarHBondContact OD2-CD 3.48Å; D77-R332 IonicContact OD2-CZ 3.96Å; D77-R332 IonicContact OD2-NE 3.18Å; D77-R332 PolarHBondContact OD2-NE 3.28Å; D77-R332 IonicContact OD2-NH2 3.31Å; A79-R332 HydrophobicContact CB-CG 4.05Å; Y195-R332 VanDerWaalsContact CD2-CZ 3.49Å; Y195-R332 VanDerWaalsContact CD2-NH2 3.33Å; Y195-R332 HydrophobicContact CE2-CG 4.02Å; Y195-R332 VanDerWaalsContact CE2-NH1 3.31Å; H208-R332 VanDerWaalsContact ND1-CZ 3.27Å; H208-R332 PolarHBondContact ND1-NH1 2.78Å; H208-R332 PolarHBondContact ND1-NH2 3.22Å; H208-R332 VanDerWaalsContact ND1-NH2 3.13Å; D329-R332 WeakPolarHBondContact O-CB 3.18Å; D329-R332 PolarHBondContact O-N 3.05Å; W330-R332 PolarHBondContact O-N 3Å; R332-L334 VanDerWaalsContact C-N 3.29Å; R332-L334 PolarHBondContact O-N 3.46Å; R332-G335 PolarHBondContact O-N 2.84Å; R332-N336 PolarHBondContact O-N 2.89Å
333	R	85.5	Confident	71.4	Confident	137 Å²	137	89.4 Å²	89.4	52%	0.517	45%	0.449	S	S	.	.	H	α-helix	trans	-64.5	-33.5	177	-61.3	-177.7	-173.7	-166.2	1.6	112.2	D329 W330 I340	D329-R333 VanDerWaalsContact CG-NE 3.3Å; D329-R333 VanDerWaalsContact CG-NH2 3.32Å; D329-R333 PolarHBondContact O-N 3.38Å; D329-R333 IonicContact OD1-CZ 3.65Å; D329-R333 IonicContact OD1-NE 3.7Å; D329-R333 PolarHBondContact OD1-NE 3.15Å; D329-R333 IonicContact OD1-NH2 2.8Å; D329-R333 PolarHBondContact OD1-NH2 3.41Å; D329-R333 VanDerWaalsContact OD1-NH2 3.07Å; D329-R333 IonicContact OD2-CZ 3.49Å; D329-R333 IonicContact OD2-NE 3.4Å; D329-R333 PolarHBondContact OD2-NE 3.34Å; D329-R333 IonicContact OD2-NH2 3.07Å; D329-R333 PolarHBondContact OD2-NH2 2.98Å; W330-R333 PolarHBondContact O-N 3.2Å; W330-R333 VanDerWaalsContact O-N 3.16Å; R333-I340 HydrophobicContact CG-CD1 4.36Å
334	L	82.8	Confident	68.6	Low	136 Å²	136	94.9 Å²	94.9	71%	0.712	47%	0.472	S	S	*	.	H	α-helix	trans	-74	-31.2	175.9	-66.1	-179.5	0	0	0	113.4	W330 R332	W330-L334 HydrophobicContact CE3-CD1 3.52Å; W330-L334 HydrophobicContact CE3-CG 4.23Å; W330-L334 HydrophobicContact CZ3-CD1 3.47Å; W330-L334 VanDerWaalsContact CZ3-CD1 3.47Å; W330-L334 PolarHBondContact O-N 3.44Å; R332-L334 VanDerWaalsContact C-N 3.29Å; R332-L334 PolarHBondContact O-N 3.46Å
335	G	65.1	Low	65.9	Low	59 Å²	59	99.7 Å²	99.7	61%	0.608	50%	0.503	S	S	*	.	H	α-helix	trans	-80.8	-19.3	-177	0	0	0	0	0	115.2	P331 R332	P331-G335 PolarHBondContact O-N 3.41Å; R332-G335 PolarHBondContact O-N 2.84Å
336	N	55.7	Low	63.1	Low	97 Å²	97	108.4 Å²	108.4	52%	0.519	54%	0.541	S	S	.	.			trans	-134.9	97.6	-177.9	-86.2	-10.7	0	0	0	111.4	R332	R332-N336 PolarHBondContact O-N 2.89Å
337	W	45.8	Very low	60.4	Low	259 Å²	259	112.8 Å²	112.8	98%	0.981	57%	0.567	S	S	*	*	S	Bend	trans	-75.5	-10.9	159.1	-154.4	-74.7	0	0	0	111.8
338	S	43.6	Very low	58.2	Low	95 Å²	95	115.2 Å²	115.2	66%	0.664	58%	0.582	S	S	*	*	S	Bend	trans	-114.6	110.2	-175.7	-61.8	0	0	0	0	110.5
339	K	44.9	Very low	55.5	Low	200 Å²	200	122 Å²	122	87%	0.87	61%	0.614	S	S	*	*			trans	63.4	75	171.1	-62.4	179.7	178.8	178.2	0	115.4	Q341	K339-Q341 PolarHBondContact O-N 3.34Å
340	I	42.2	Very low	53.2	Low	91 Å²	91	127.8 Å²	127.8	47%	0.467	64%	0.64	S	S	.	*			trans	-81.2	104.3	144.5	-62.6	176.8	0	0	0	105.5	R333 D342	R333-I340 HydrophobicContact CG-CD1 4.36Å; I340-D342 PolarHBondContact O-N 2.96Å
341	Q	37.5	Very low	50.9	Low	176 Å²	176	133.9 Å²	133.9	82%	0.822	67%	0.671	S	S	*	*			trans	-63.8	112.8	150.1	-131.6	170.4	2.2	0	0	103.7	K339 V343	K339-Q341 PolarHBondContact O-N 3.34Å; Q341-V343 PolarHBondContact O-N 3.33Å
342	D	38	Very low	49.1	Very low	128 Å²	128	139.5 Å²	139.5	68%	0.684	70%	0.699	S	S	*	*			trans	-55.7	92.6	168	-79.5	-42.7	0	0	0	106.9	I340 H344	I340-D342 PolarHBondContact O-N 2.96Å; D342-H344 PolarHBondContact O-N 3.41Å
343	V	40.5	Very low	48	Very low	128 Å²	128	141.6 Å²	141.6	78%	0.776	72%	0.723	S	S	*	*			trans	-73.2	76.8	153.6	-174.1	0	0	0	0	103.3	Q341 P345	Q341-V343 PolarHBondContact O-N 3.33Å; V343-P345 VanDerWaalsContact O-N 3.17Å
344	H	36	Very low	47.4	Very low	147 Å²	147	143.6 Å²	143.6	68%	0.681	74%	0.736	S	S	*	*			trans	-43.3	126.7	151	-92.2	-61.1	0	0	0	105.1	D342 K346	D342-H344 PolarHBondContact O-N 3.41Å; H344-K346 PolarHBondContact O-N 3.44Å
345	P	38.5	Very low	47.4	Very low	102 Å²	102	138 Å²	138	66%	0.662	71%	0.707	S	S	*	*			trans	-48	119.7	160.1	-13.4	25.2	0	0	0	103.9	V343 D347	V343-P345 VanDerWaalsContact O-N 3.17Å; P345-D347 PolarHBondContact O-N 3.49Å
346	K	32.9	Very low	48.6	Very low	192 Å²	192	137.4 Å²	137.4	84%	0.835	70%	0.702	S	S	*	*			trans	-42.9	120.9	166.6	-88.6	179.9	171	-179.3	0	105	H344 P348	H344-K346 PolarHBondContact O-N 3.44Å; K346-P348 WeakPolarHBondContact O-CD 3.49Å
347	D	36.2	Very low	50.2	Low	153 Å²	153	139.9 Å²	139.9	82%	0.818	71%	0.713	S	S	*	*			trans	-46.6	112.3	173.5	-75.9	-47.4	0	0	0	106.3	P345 E349	P345-D347 PolarHBondContact O-N 3.49Å; D347-E349 PolarHBondContact O-N 3.21Å
348	P	43.4	Very low	52.4	Low	98 Å²	98	133.3 Å²	133.3	64%	0.636	70%	0.696	S	S	*	*			trans	-77.7	88.7	170.8	5	13.5	0	0	0	104.2	K346 E350	K346-P348 WeakPolarHBondContact O-CD 3.49Å; P348-E350 HydrophobicContact CB-CB 4.06Å; P348-E350 PolarHBondContact O-N 3.15Å
349	E	37.3	Very low	54.7	Low	193 Å²	193	129.4 Å²	129.4	90%	0.902	67%	0.67	S	S	*	*			trans	-68.3	14.6	140.4	-87.3	-173.5	155.8	0	0	110.9	D347 E351	D347-E349 PolarHBondContact O-N 3.21Å; E349-E351 PolarHBondContact O-N 3.42Å; E349-E351 VanDerWaalsContact O-N 3.16Å
350	E	43	Very low	56.9	Low	167 Å²	167	124.7 Å²	124.7	78%	0.78	65%	0.647	S	S	*	*	S	Bend	trans	-64.9	110.4	154.8	-81.5	-173.2	161.2	0	0	108	P348 L352	P348-E350 HydrophobicContact CB-CB 4.06Å; P348-E350 PolarHBondContact O-N 3.15Å; E350-L352 PolarHBondContact O-N 2.75Å; E350-L352 VanDerWaalsContact O-N 3.12Å
351	E	43.2	Very low	59.5	Low	184 Å²	184	125.4 Å²	125.4	86%	0.86	65%	0.651	S	S	*	*			trans	-36	123.1	167.1	-71.6	-168.7	152.7	0	0	109.5	E349 S353	E349-E351 PolarHBondContact O-N 3.42Å; E349-E351 VanDerWaalsContact O-N 3.16Å; E351-S353 PolarHBondContact O-N 3.5Å
352	L	52.5	Low	62.2	Low	129 Å²	129	120.5 Å²	120.5	68%	0.675	63%	0.625	S	S	*	*			trans	-53.2	89.8	179.5	-162	80.6	0	0	0	109	S70 E350 K354	S70-L352 WeakPolarHBondContact OG-CD1 3.39Å; S70-L352 VanDerWaalsContact OG-CD2 3.3Å; S70-L352 WeakPolarHBondContact OG-CD2 3.36Å; S70-L352 WeakPolarHBondContact OG-CG 3.18Å; E350-L352 PolarHBondContact O-N 2.75Å; E350-L352 VanDerWaalsContact O-N 3.12Å; L352-K354 PolarHBondContact O-N 3.21Å
353	S	62.6	Low	64.9	Low	103 Å²	103	114.5 Å²	114.5	72%	0.72	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-57.3	129.8	-175.3	63.8	0	0	0	0	107.5	E351	E351-S353 PolarHBondContact O-N 3.5Å
354	K	74.9	Confident	67.5	Low	179 Å²	179	110.1 Å²	110.1	78%	0.778	57%	0.573	S	S	*	*	P	Polyproline II helix	trans	-54.2	131.1	-173.9	-71.4	-179.7	-177.9	173.4	0	108.4	L352 G356	L352-K354 PolarHBondContact O-N 3.21Å; K354-G356 PolarHBondContact O-N 2.86Å; K354-G356 VanDerWaalsContact O-N 3.16Å
355	P	81.9	Confident	70.4	Confident	18 Å²	18	108.6 Å²	108.6	12%	0.117	57%	0.57	C	S	.	*	P	Polyproline II helix	trans	-57.8	126.5	-177	21.8	-33	0	0	0	109.8	T66 T69 A359 R360	T66-P355 VanDerWaalsContact CG2-CD 3.5Å; T66-P355 HydrophobicContact CG2-CG 3.59Å; T69-P355 HydrophobicContact CG2-CB 3.44Å; T69-P355 VanDerWaalsContact CG2-CB 3.44Å; T69-P355 HydrophobicContact CG2-CG 3.94Å; P355-A359 HydrophobicContact CB-CB 4.15Å; P355-R360 PolarHBondContact O-NE 2.88Å
356	G	89.1	Confident	73.2	Confident	47 Å²	47	104.1 Å²	104.1	49%	0.485	54%	0.54	S	S	.	.	P	Polyproline II helix	trans	-61.2	166.3	178.6	0	0	0	0	0	112.8	K354 L358 A359 R360	K354-G356 PolarHBondContact O-N 2.86Å; K354-G356 VanDerWaalsContact O-N 3.16Å; G356-L358 VanDerWaalsContact C-N 3.28Å; G356-L358 PolarHBondContact O-N 2.82Å; G356-A359 WeakPolarHBondContact O-CB 3.47Å; G356-A359 PolarHBondContact O-N 3.32Å; G356-R360 PolarHBondContact O-N 3.44Å; G356-R360 VanDerWaalsContact O-N 3.16Å
357	I	90.6	Very high	76.3	Confident	148 Å²	148	98.7 Å²	98.7	76%	0.759	52%	0.52	S	S	*	.	H	α-helix	trans	-55.9	-42.9	-176.5	-64	166.4	0	0	0	111.5	A359 R360 L361	I357-A359 VanDerWaalsContact C-N 3.31Å; I357-A359 PolarHBondContact O-N 3.44Å; I357-R360 PolarHBondContact O-N 3.05Å; I357-L361 PolarHBondContact O-N 2.84Å
358	L	91.7	Very high	79.2	Confident	121 Å²	121	94.4 Å²	94.4	63%	0.634	51%	0.506	S	S	*	.	H	α-helix	trans	-63.1	-36.5	179.1	-171.8	66.5	0	0	0	112.7	G356 R362	G356-L358 VanDerWaalsContact C-N 3.28Å; G356-L358 PolarHBondContact O-N 2.82Å; L358-R362 WeakPolarHBondContact O-CB 3.5Å; L358-R362 PolarHBondContact O-N 3.12Å
359	A	91.3	Very high	81.7	Confident	13 Å²	13	91.7 Å²	91.7	11%	0.107	48%	0.483	C	S	.	.	H	α-helix	trans	-67.3	-40.2	176.9	0	0	0	0	0	111.1	T69 P355 G356 I357 R362 T363	T69-A359 HydrophobicContact CG2-CB 3.78Å; P355-A359 HydrophobicContact CB-CB 4.15Å; G356-A359 WeakPolarHBondContact O-CB 3.47Å; G356-A359 PolarHBondContact O-N 3.32Å; I357-A359 VanDerWaalsContact C-N 3.31Å; I357-A359 PolarHBondContact O-N 3.44Å; A359-R362 PolarHBondContact O-N 3.13Å; A359-T363 PolarHBondContact O-N 3.18Å; A359-T363 PolarHBondContact O-OG1 3.01Å; A359-T363 VanDerWaalsContact O-OG1 3.13Å
360	R	92.6	Very high	84.6	Confident	102 Å²	102	83 Å²	83	39%	0.385	44%	0.444	S	S	.	.	H	α-helix	trans	-66.6	-43.9	175.6	-66.1	178.4	179.4	-174.6	-6.5	112.2	T69 P355 G356 I357 R362 T363 G364	T69-R360 HydrophobicContact CG2-CG 4.39Å; P355-R360 PolarHBondContact O-NE 2.88Å; G356-R360 PolarHBondContact O-N 3.44Å; G356-R360 VanDerWaalsContact O-N 3.16Å; I357-R360 PolarHBondContact O-N 3.05Å; R360-R362 VanDerWaalsContact C-N 3.33Å; R360-R362 PolarHBondContact O-N 3.19Å; R360-T363 WeakPolarHBondContact O-CB 3.5Å; R360-T363 PolarHBondContact O-N 3.18Å; R360-G364 PolarHBondContact O-N 3.02Å
361	L	95	Very high	87.2	Confident	106 Å²	106	76.9 Å²	76.9	56%	0.555	43%	0.425	S	S	*	.	H	α-helix	trans	-59.6	-45.3	175.5	-178.8	64.8	0	0	0	110.9	I357 T363 G364 L365	I357-L361 PolarHBondContact O-N 2.84Å; L361-T363 PolarHBondContact O-N 3.14Å; L361-G364 WeakPolarHBondContact O-CA 3.37Å; L361-G364 PolarHBondContact O-N 2.97Å; L361-G364 VanDerWaalsContact O-N 3.12Å; L361-L365 PolarHBondContact O-N 2.83Å
362	R	94.7	Very high	89.7	Confident	73 Å²	73	72.1 Å²	72.1	28%	0.275	41%	0.405	S	S	.	.	H	α-helix	trans	-59.7	-44.5	175.4	-166.6	-170.7	-47.1	143.5	7.1	111.9	N73 L358 A359 R360 G364 L365 I366	N73-R362 PolarHBondContact OD1-NH1 3.15Å; L358-R362 WeakPolarHBondContact O-CB 3.5Å; L358-R362 PolarHBondContact O-N 3.12Å; A359-R362 PolarHBondContact O-N 3.13Å; R360-R362 VanDerWaalsContact C-N 3.33Å; R360-R362 PolarHBondContact O-N 3.19Å; R362-G364 VanDerWaalsContact C-N 3.31Å; R362-G364 PolarHBondContact O-N 3.21Å; R362-L365 PolarHBondContact O-N 3.4Å; R362-I366 HydrophobicContact CG-CD1 4.19Å; R362-I366 VanDerWaalsContact O-CG1 3.31Å; R362-I366 WeakPolarHBondContact O-CG1 3.32Å; R362-I366 PolarHBondContact O-N 3.05Å
363	T	95.1	Very high	91.7	Very high	1 Å²	1	66.1 Å²	66.1	1%	0.006	37%	0.374	C	S	.	.	H	α-helix	trans	-59.7	-42.2	173.5	-62.7	0	0	0	0	111.6	L65 F68 T69 L72 A359 R360 L361 L365 I366 L367	L65-T363 HydrophobicContact CD1-CG2 3.75Å; F68-T363 HydrophobicContact CD1-CG2 3.64Å; F68-T363 HydrophobicContact CE1-CG2 3.87Å; T69-T363 WeakPolarHBondContact CB-OG1 3.27Å; T69-T363 WeakPolarHBondContact CG2-OG1 3.41Å; T69-T363 WeakPolarHBondContact OG1-CB 3.48Å; T69-T363 PolarHBondContact OG1-OG1 2.88Å; L72-T363 HydrophobicContact CD1-CG2 3.94Å; A359-T363 PolarHBondContact O-N 3.18Å; A359-T363 PolarHBondContact O-OG1 3.01Å; A359-T363 VanDerWaalsContact O-OG1 3.13Å; R360-T363 WeakPolarHBondContact O-CB 3.5Å; R360-T363 PolarHBondContact O-N 3.18Å; L361-T363 PolarHBondContact O-N 3.14Å; T363-L365 PolarHBondContact O-N 3.09Å; T363-I366 PolarHBondContact O-N 3.35Å; T363-L367 HydrophobicContact CG2-CD1 4.07Å; T363-L367 HydrophobicContact CG2-CG 4.38Å; T363-L367 WeakPolarHBondContact O-CG 3.14Å; T363-L367 PolarHBondContact O-N 2.86Å
364	G	96.1	Very high	93.3	Very high	36 Å²	36	64.8 Å²	64.8	37%	0.371	36%	0.358	S	S	.	.	H	α-helix	trans	-58.4	-44.8	174.7	0	0	0	0	0	112.7	R360 L361 R362 L367 A368	R360-G364 PolarHBondContact O-N 3.02Å; L361-G364 WeakPolarHBondContact O-CA 3.37Å; L361-G364 PolarHBondContact O-N 2.97Å; L361-G364 VanDerWaalsContact O-N 3.12Å; R362-G364 VanDerWaalsContact C-N 3.31Å; R362-G364 PolarHBondContact O-N 3.21Å; G364-L367 PolarHBondContact O-N 2.92Å; G364-A368 WeakPolarHBondContact O-CB 3.21Å; G364-A368 PolarHBondContact O-N 3.03Å
365	L	96.4	Very high	94.2	Very high	115 Å²	115	60.6 Å²	60.6	60%	0.602	34%	0.34	S	S	*	.	H	α-helix	trans	-64.2	-41.5	175.7	-68.5	173.5	0	0	0	112.5	L361 R362 T363 A368 Y369	L361-L365 PolarHBondContact O-N 2.83Å; R362-L365 PolarHBondContact O-N 3.4Å; T363-L365 PolarHBondContact O-N 3.09Å; L365-A368 PolarHBondContact O-N 2.66Å; L365-Y369 WeakPolarHBondContact O-CB 3.49Å; L365-Y369 PolarHBondContact O-N 2.87Å
366	I	97.2	Very high	94.7	Very high	9 Å²	9	61.5 Å²	61.5	5%	0.046	34%	0.344	C	S	.	.	H	α-helix	trans	-60.7	-46.9	175.2	-70	164	0	0	0	110.4	L72 W213 F216 L217 R362 T363 A368 Y369 C370	L72-I366 HydrophobicContact CD1-CD1 4.25Å; W213-I366 HydrophobicContact CB-CD1 3.74Å; W213-I366 HydrophobicContact CD2-CD1 4.41Å; W213-I366 HydrophobicContact CE3-CD1 4.49Å; W213-I366 HydrophobicContact CG-CD1 4.11Å; F216-I366 HydrophobicContact CD1-CG2 3.88Å; F216-I366 HydrophobicContact CE1-CG2 3.68Å; L217-I366 HydrophobicContact CD1-CG1 4.3Å; L217-I366 HydrophobicContact CD2-CB 4.43Å; L217-I366 HydrophobicContact CD2-CG1 4.13Å; L217-I366 HydrophobicContact CD2-CG2 3.91Å; L217-I366 HydrophobicContact CG-CG1 4.37Å; R362-I366 HydrophobicContact CG-CD1 4.19Å; R362-I366 VanDerWaalsContact O-CG1 3.31Å; R362-I366 WeakPolarHBondContact O-CG1 3.32Å; R362-I366 PolarHBondContact O-N 3.05Å; T363-I366 PolarHBondContact O-N 3.35Å; I366-A368 VanDerWaalsContact C-N 3.34Å; I366-A368 PolarHBondContact O-N 3.16Å; I366-Y369 PolarHBondContact O-N 3.03Å; I366-C370 PolarHBondContact O-N 3.25Å; I366-C370 PolarHBondContact O-SG 3.45Å
367	L	96.8	Very high	94.8	Very high	77 Å²	77	59.3 Å²	59.3	40%	0.403	32%	0.32	S	S	.	.	H	α-helix	trans	-64.9	-38.5	178.2	-71	174.4	0	0	0	112	L65 F68 T363 G364 C370 G371	L65-L367 HydrophobicContact CD1-CD1 4.04Å; F68-L367 HydrophobicContact CE1-CD1 4.35Å; F68-L367 HydrophobicContact CE1-CD2 3.78Å; F68-L367 HydrophobicContact CE1-CG 4.17Å; F68-L367 HydrophobicContact CZ-CD2 4.34Å; T363-L367 HydrophobicContact CG2-CD1 4.07Å; T363-L367 HydrophobicContact CG2-CG 4.38Å; T363-L367 WeakPolarHBondContact O-CG 3.14Å; T363-L367 PolarHBondContact O-N 2.86Å; G364-L367 PolarHBondContact O-N 2.92Å; L367-C370 PolarHBondContact O-N 3.13Å; L367-G371 PolarHBondContact O-N 3.16Å
368	A	97.3	Very high	94.8	Very high	63 Å²	63	57.4 Å²	57.4	52%	0.521	31%	0.305	S	S	.	.	H	α-helix	trans	-62.7	-43.3	174.1	0	0	0	0	0	111.5	G364 L365 I366 G371 L372	G364-A368 WeakPolarHBondContact O-CB 3.21Å; G364-A368 PolarHBondContact O-N 3.03Å; L365-A368 PolarHBondContact O-N 2.66Å; I366-A368 VanDerWaalsContact C-N 3.34Å; I366-A368 PolarHBondContact O-N 3.16Å; A368-G371 PolarHBondContact O-N 3.12Å; A368-L372 WeakPolarHBondContact O-CB 3.44Å; A368-L372 PolarHBondContact O-N 3.2Å
369	Y	97.3	Very high	94.8	Very high	42 Å²	42	52 Å²	52	17%	0.165	28%	0.277	C	S	.	.	H	α-helix	trans	-61.4	-45.9	173.7	174.9	-100.3	0	0	0	112	L186 L217 F220 Q221 L365 I366 G371 L372 Q373	L186-Y369 HydrophobicContact CD1-CE1 4.3Å; L186-Y369 HydrophobicContact CD2-CD1 4.44Å; L186-Y369 HydrophobicContact CD2-CE1 3.86Å; L186-Y369 HydrophobicContact CD2-CE2 4.27Å; L217-Y369 HydrophobicContact CD2-CD1 3.91Å; L217-Y369 HydrophobicContact CD2-CE1 4.33Å; F220-Y369 HydrophobicContact CD1-CE1 4.37Å; Q221-Y369 PolarHBondContact OE1-OH 3.29Å; L365-Y369 WeakPolarHBondContact O-CB 3.49Å; L365-Y369 PolarHBondContact O-N 2.87Å; I366-Y369 PolarHBondContact O-N 3.03Å; Y369-G371 VanDerWaalsContact C-N 3.34Å; Y369-G371 PolarHBondContact O-N 3.49Å; Y369-L372 WeakPolarHBondContact O-CB 3.43Å; Y369-L372 PolarHBondContact O-N 3.39Å; Y369-Q373 HydrophobicContact CD1-CG 4.36Å; Y369-Q373 HydrophobicContact CD2-CG 4.25Å; Y369-Q373 HydrophobicContact CE1-CG 3.89Å; Y369-Q373 HydrophobicContact CE2-CG 3.76Å; Y369-Q373 WeakPolarHBondContact O-CG 3.31Å; Y369-Q373 PolarHBondContact O-N 2.94Å
370	C	97.4	Very high	94.8	Very high	11 Å²	11	52 Å²	52	7%	0.074	27%	0.274	C	S	.	.	H	α-helix	trans	-59.5	-45.3	175.7	-69.3	0	0	0	0	111.8	F220 I366 L367 L372 Q373 L374	F220-C370 HydrophobicContact CD1-CB 4.49Å; F220-C370 HydrophobicContact CE1-CB 3.81Å; F220-C370 VanDerWaalsContact CE1-SG 3.54Å; F220-C370 HydrophobicContact CE2-CB 3.94Å; F220-C370 VanDerWaalsContact CZ-CA 3.5Å; F220-C370 HydrophobicContact CZ-CB 3.48Å; F220-C370 VanDerWaalsContact CZ-CB 3.48Å; I366-C370 PolarHBondContact O-N 3.25Å; I366-C370 PolarHBondContact O-SG 3.45Å; L367-C370 PolarHBondContact O-N 3.13Å; C370-L372 VanDerWaalsContact C-N 3.33Å; C370-L372 PolarHBondContact O-N 3.48Å; C370-Q373 PolarHBondContact O-N 2.89Å; C370-L374 WeakPolarHBondContact O-CB 2.8Å; C370-L374 VanDerWaalsContact O-CG 3.28Å; C370-L374 WeakPolarHBondContact O-CG 3.35Å; C370-L374 PolarHBondContact O-N 2.94Å
371	G	97.3	Very high	94.8	Very high	37 Å²	37	53.1 Å²	53.1	38%	0.381	28%	0.282	S	S	.	.	H	α-helix	trans	-61.2	-41.2	175.5	0	0	0	0	0	112.5	L367 A368 Y369 L374 F375	L367-G371 PolarHBondContact O-N 3.16Å; A368-G371 PolarHBondContact O-N 3.12Å; Y369-G371 VanDerWaalsContact C-N 3.34Å; Y369-G371 PolarHBondContact O-N 3.49Å; G371-L374 PolarHBondContact O-N 3.26Å; G371-F375 VanDerWaalsContact O-CB 3.26Å; G371-F375 WeakPolarHBondContact O-CB 3.45Å; G371-F375 PolarHBondContact O-N 2.99Å
372	L	95.9	Very high	94.8	Very high	85 Å²	85	51.5 Å²	51.5	45%	0.445	27%	0.274	S	S	.	.	H	α-helix	trans	-62.9	-48.6	176.4	-177.8	67.7	0	0	0	111.6	A368 Y369 C370 L374 F375 L376	A368-L372 WeakPolarHBondContact O-CB 3.44Å; A368-L372 PolarHBondContact O-N 3.2Å; Y369-L372 WeakPolarHBondContact O-CB 3.43Å; Y369-L372 PolarHBondContact O-N 3.39Å; C370-L372 VanDerWaalsContact C-N 3.33Å; C370-L372 PolarHBondContact O-N 3.48Å; L372-L374 VanDerWaalsContact C-N 3.28Å; L372-L374 PolarHBondContact O-N 3.12Å; L372-F375 PolarHBondContact O-N 2.87Å; L372-F375 VanDerWaalsContact O-N 3.07Å; L372-L376 HydrophobicContact CD1-CD1 3.96Å; L372-L376 HydrophobicContact CD1-CD2 4.01Å; L372-L376 HydrophobicContact CD1-CG 3.77Å; L372-L376 HydrophobicContact CD2-CD1 4.29Å; L372-L376 HydrophobicContact CG-CD1 3.75Å; L372-L376 HydrophobicContact CG-CG 3.98Å; L372-L376 WeakPolarHBondContact O-CG 3.49Å; L372-L376 PolarHBondContact O-N 3.37Å
373	Q	95.3	Very high	94.7	Very high	3 Å²	3	49.2 Å²	49.2	1%	0.014	27%	0.268	C	S	.	.	H	α-helix	trans	-67.7	-27.3	180	-68.1	-59.9	-38.2	0	0	113	Y178 F220 Y369 C370 P377	Y178-Q373 PolarHBondContact OH-NE2 3.29Å; F220-Q373 HydrophobicContact CE1-CB 4.11Å; Y369-Q373 HydrophobicContact CD1-CG 4.36Å; Y369-Q373 HydrophobicContact CD2-CG 4.25Å; Y369-Q373 HydrophobicContact CE1-CG 3.89Å; Y369-Q373 HydrophobicContact CE2-CG 3.76Å; Y369-Q373 WeakPolarHBondContact O-CG 3.31Å; Y369-Q373 PolarHBondContact O-N 2.94Å; C370-Q373 PolarHBondContact O-N 2.89Å; Q373-P377 WeakPolarHBondContact O-CD 3.36Å
374	L	95	Very high	94.6	Very high	74 Å²	74	53.8 Å²	53.8	39%	0.387	29%	0.288	S	S	.	.	H	α-helix	trans	-73.6	-31.8	170.3	-73.8	167	0	0	0	112.5	F220 I224 M227 Y228 C370 G371 L372	F220-L374 HydrophobicContact CZ-CG 4.32Å; I224-L374 HydrophobicContact CD1-CD2 3.43Å; I224-L374 VanDerWaalsContact CD1-CD2 3.43Å; I224-L374 HydrophobicContact CD1-CG 4.2Å; M227-L374 HydrophobicContact CE-CD2 4.09Å; Y228-L374 VanDerWaalsContact OH-CA 3.3Å; Y228-L374 WeakPolarHBondContact OH-CA 3.5Å; Y228-L374 WeakPolarHBondContact OH-CD2 3.22Å; Y228-L374 PolarHBondContact OH-O 3.37Å; C370-L374 WeakPolarHBondContact O-CB 2.8Å; C370-L374 VanDerWaalsContact O-CG 3.28Å; C370-L374 WeakPolarHBondContact O-CG 3.35Å; C370-L374 PolarHBondContact O-N 2.94Å; G371-L374 PolarHBondContact O-N 3.26Å; L372-L374 VanDerWaalsContact C-N 3.28Å; L372-L374 PolarHBondContact O-N 3.12Å
375	F	94.3	Very high	94.4	Very high	91 Å²	91	52.1 Å²	52.1	40%	0.399	27%	0.271	S	S	.	.	H	α-helix	trans	-83.8	-44.3	-176.3	174.6	-106.3	0	0	0	113.3	G371 L372 Y378 S379 F381 I382	G371-F375 VanDerWaalsContact O-CB 3.26Å; G371-F375 WeakPolarHBondContact O-CB 3.45Å; G371-F375 PolarHBondContact O-N 2.99Å; L372-F375 PolarHBondContact O-N 2.87Å; L372-F375 VanDerWaalsContact O-N 3.07Å; F375-Y378 PolarHBondContact O-N 3.18Å; F375-S379 PolarHBondContact O-N 3.48Å; F375-F381 HydrophobicContact CE2-CE1 4.06Å; F375-F381 AromaticContact CE2-CZ 3.9Å; F375-F381 HydrophobicContact CE2-CZ 3.9Å; F375-F381 HydrophobicContact CZ-CE1 4.21Å; F375-F381 AromaticContact CZ-CZ 3.86Å; F375-F381 HydrophobicContact CZ-CZ 3.86Å; F375-I382 HydrophobicContact CE1-CD1 4.2Å; F375-I382 HydrophobicContact CZ-CD1 3.82Å
376	L	92.3	Very high	94.2	Very high	38 Å²	38	48 Å²	48	20%	0.199	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-54.5	-44.4	-170.6	-76.6	176.6	0	0	0	113.9	L372 Y378 S379 Y396	L372-L376 HydrophobicContact CD1-CD1 3.96Å; L372-L376 HydrophobicContact CD1-CD2 4.01Å; L372-L376 HydrophobicContact CD1-CG 3.77Å; L372-L376 HydrophobicContact CD2-CD1 4.29Å; L372-L376 HydrophobicContact CG-CD1 3.75Å; L372-L376 HydrophobicContact CG-CG 3.98Å; L372-L376 WeakPolarHBondContact O-CG 3.49Å; L372-L376 PolarHBondContact O-N 3.37Å; L376-Y378 PolarHBondContact O-N 2.87Å; L376-S379 WeakPolarHBondContact O-CB 3.49Å; L376-S379 PolarHBondContact O-N 3.37Å; L376-S379 PolarHBondContact O-OG 2.99Å; L376-Y396 HydrophobicContact CB-CD2 4.13Å; L376-Y396 HydrophobicContact CB-CE2 4.15Å; L376-Y396 VanDerWaalsContact O-CE2 3.23Å; L376-Y396 WeakPolarHBondContact O-CE2 3.36Å
377	P	91.4	Very high	94	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-64.7	-5.7	-179.5	-25.3	38	0	0	0	115.8	Y228 Q373 H380 W398	Y228-P377 HydrophobicContact CD2-CB 4.28Å; Y228-P377 HydrophobicContact CD2-CG 3.84Å; Y228-P377 HydrophobicContact CE2-CB 4.3Å; Y228-P377 HydrophobicContact CE2-CG 3.75Å; Q373-P377 WeakPolarHBondContact O-CD 3.36Å; P377-H380 PolarHBondContact O-NE2 2.99Å; P377-W398 VanDerWaalsContact CG-CD1 3.41Å
378	Y	90.5	Very high	93.7	Very high	109 Å²	109	46.8 Å²	46.8	43%	0.427	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-122.5	6.9	173.9	-63.9	-77.2	0	0	0	113.3	Y228 F375 L376 H380 F381	Y228-Y378 HydrophobicContact CD1-CE2 4.02Å; Y228-Y378 HydrophobicContact CE1-CD2 4.4Å; Y228-Y378 AromaticContact CE1-CE2 3.4Å; Y228-Y378 HydrophobicContact CE1-CE2 3.4Å; Y228-Y378 VanDerWaalsContact CE1-CE2 3.4Å; Y228-Y378 AromaticContact CZ-CE2 3.95Å; F375-Y378 PolarHBondContact O-N 3.18Å; L376-Y378 PolarHBondContact O-N 2.87Å; Y378-H380 PolarHBondContact O-N 2.97Å; Y378-H380 VanDerWaalsContact O-N 3.12Å; Y378-F381 VanDerWaalsContact O-CD1 3.24Å; Y378-F381 WeakPolarHBondContact O-CD1 3.4Å; Y378-F381 WeakPolarHBondContact O-CE1 3.47Å
379	S	92.5	Very high	93.5	Very high	7 Å²	7	45 Å²	45	5%	0.049	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-73.5	1.2	-175.4	63.7	0	0	0	0	114.7	F375 L376 F381 I382 Y396	F375-S379 PolarHBondContact O-N 3.48Å; L376-S379 WeakPolarHBondContact O-CB 3.49Å; L376-S379 PolarHBondContact O-N 3.37Å; L376-S379 PolarHBondContact O-OG 2.99Å; S379-F381 PolarHBondContact O-N 3.15Å; S379-I382 WeakPolarHBondContact O-CB 3.35Å; S379-I382 PolarHBondContact O-N 3.46Å; S379-Y396 PolarHBondContact OG-OH 2.64Å
380	H	91.4	Very high	93.1	Very high	12 Å²	12	43.6 Å²	43.6	6%	0.056	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-63.6	-14.8	-171.1	-45.2	-41.6	0	0	0	114.8	P377 Y378 I382 T383 N387 N391 G392 Y396 S397	P377-H380 PolarHBondContact O-NE2 2.99Å; Y378-H380 PolarHBondContact O-N 2.97Å; Y378-H380 VanDerWaalsContact O-N 3.12Å; H380-I382 PolarHBondContact O-N 2.84Å; H380-T383 PolarHBondContact O-N 3.34Å; H380-N387 PolarHBondContact O-ND2 3.23Å; H380-N391 HydrophobicContact CB-CB 4.02Å; H380-G392 WeakPolarHBondContact ND1-CA 3.2Å; H380-Y396 AromaticContact CE1-CZ 3.65Å; H380-Y396 PolarHBondContact CE1-OH 3.44Å; H380-Y396 AromaticContact ND1-CZ 3.72Å; H380-Y396 PolarHBondContact ND1-OH 3.38Å; H380-S397 PolarHBondContact CE1-OG 3.05Å; H380-S397 PolarHBondContact NE2-OG 3.14Å; H380-S397 VanDerWaalsContact NE2-OG 3.13Å
381	F	92.6	Very high	92.7	Very high	126 Å²	126	48 Å²	48	55%	0.553	24%	0.24	S	C	*	.	G	3₁₀ helix	trans	-68.2	-20.6	170.8	66.1	-91	0	0	0	112.7	F375 Y378 S379 K384	F375-F381 HydrophobicContact CE2-CE1 4.06Å; F375-F381 AromaticContact CE2-CZ 3.9Å; F375-F381 HydrophobicContact CE2-CZ 3.9Å; F375-F381 HydrophobicContact CZ-CE1 4.21Å; F375-F381 AromaticContact CZ-CZ 3.86Å; F375-F381 HydrophobicContact CZ-CZ 3.86Å; Y378-F381 VanDerWaalsContact O-CD1 3.24Å; Y378-F381 WeakPolarHBondContact O-CD1 3.4Å; Y378-F381 WeakPolarHBondContact O-CE1 3.47Å; S379-F381 PolarHBondContact O-N 3.15Å; F381-K384 WeakPolarHBondContact O-CE 3.43Å; F381-K384 WeakPolarHBondContact O-CG 3.1Å
382	I	93.7	Very high	92.1	Very high	72 Å²	72	46.4 Å²	46.4	37%	0.369	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-49.9	173.5	-58.5	178.4	0	0	0	109.3	F375 S379 H380 K384 F498	F375-I382 HydrophobicContact CE1-CD1 4.2Å; F375-I382 HydrophobicContact CZ-CD1 3.82Å; S379-I382 WeakPolarHBondContact O-CB 3.35Å; S379-I382 PolarHBondContact O-N 3.46Å; H380-I382 PolarHBondContact O-N 2.84Å; I382-K384 PolarHBondContact O-N 3.31Å; I382-F498 HydrophobicContact CG2-CD1 4.02Å; I382-F498 HydrophobicContact CG2-CE1 4.05Å; I382-F498 WeakPolarHBondContact O-CD1 3.48Å
383	T	92.4	Very high	91.5	Very high	26 Å²	26	43.3 Å²	43.3	16%	0.16	21%	0.206	C	C	.	.			trans	-98.4	57.3	-170.9	63.8	0	0	0	0	112.3	H380 G385 Y386 P497	H380-T383 PolarHBondContact O-N 3.34Å; T383-G385 PolarHBondContact O-N 3.33Å; T383-Y386 PolarHBondContact O-N 3Å; T383-P497 CarbonylContact C-O 3.56Å; T383-P497 WeakPolarHBondContact CA-O 3.43Å
384	K	93.6	Very high	90.7	Very high	97 Å²	97	47 Å²	47	42%	0.422	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-62	-23.6	-171.8	-62.7	-179.9	-176.1	176.1	0	114.4	F381 I382 Y386 N387 P497 E499	F381-K384 WeakPolarHBondContact O-CE 3.43Å; F381-K384 WeakPolarHBondContact O-CG 3.1Å; I382-K384 PolarHBondContact O-N 3.31Å; K384-Y386 PolarHBondContact O-N 2.82Å; K384-N387 WeakPolarHBondContact O-CB 3.39Å; K384-N387 PolarHBondContact O-N 3.34Å; K384-N387 VanDerWaalsContact O-N 3.12Å; K384-P497 PolarHBondContact N-O 3.32Å; K384-P497 VanDerWaalsContact N-O 3.12Å; K384-E499 CarbonylContact C-O 3.57Å
385	G	92.5	Very high	89.6	Confident	1 Å²	1	43.6 Å²	43.6	1%	0.01	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-69	-21.2	-178.8	0	0	0	0	0	114.3	T383 W495 S496 P497 E499	T383-G385 PolarHBondContact O-N 3.33Å; G385-W495 PolarHBondContact O-NE1 3.49Å; G385-S496 VanDerWaalsContact CA-O 3.25Å; G385-S496 WeakPolarHBondContact CA-O 3.48Å; G385-P497 PolarHBondContact N-O 3.49Å; G385-E499 WeakPolarHBondContact CA-O 3.2Å; G385-E499 PolarHBondContact N-O 3.19Å
386	Y	92.3	Very high	89	Confident	28 Å²	28	40.8 Å²	40.8	11%	0.11	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-90	-6.3	174.2	-58.5	-71.3	0	0	0	113	L119 T383 K384 L393 D441 W495 P497	L119-Y386 HydrophobicContact CD1-CE1 4.44Å; T383-Y386 PolarHBondContact O-N 3Å; K384-Y386 PolarHBondContact O-N 2.82Å; Y386-L393 HydrophobicContact CD1-CB 4.4Å; Y386-L393 HydrophobicContact CD1-CD1 3.74Å; Y386-L393 HydrophobicContact CD2-CB 4.44Å; Y386-L393 HydrophobicContact CE1-CD1 4.03Å; Y386-L393 HydrophobicContact CG-CB 4.1Å; Y386-L393 HydrophobicContact CG-CD1 4.29Å; Y386-D441 HydrophobicContact CD1-CB 4.21Å; Y386-D441 HydrophobicContact CE1-CB 4.1Å; Y386-D441 WeakPolarHBondContact CE1-OD2 3.42Å; Y386-W495 AromaticContact CD1-CZ2 3.97Å; Y386-W495 HydrophobicContact CD1-CZ2 3.97Å; Y386-W495 AromaticContact CE1-CH2 3.78Å; Y386-W495 HydrophobicContact CE1-CH2 3.78Å; Y386-W495 AromaticContact CE1-CZ2 3.67Å; Y386-W495 HydrophobicContact CE1-CZ2 3.67Å; Y386-W495 AromaticContact CZ-CH2 3.85Å; Y386-P497 HydrophobicContact CE2-CB 3.94Å
387	N	92.3	Very high	88.6	Confident	34 Å²	34	39.1 Å²	39.1	18%	0.182	18%	0.182	C	C	.	.			trans	-74.4	132.7	176.9	-60.3	-12.5	0	0	0	109.1	H380 K384 G392	H380-N387 PolarHBondContact O-ND2 3.23Å; K384-N387 WeakPolarHBondContact O-CB 3.39Å; K384-N387 PolarHBondContact O-N 3.34Å; K384-N387 VanDerWaalsContact O-N 3.12Å; N387-G392 PolarHBondContact OD1-N 3.04Å
388	N	91	Very high	88.6	Confident	26 Å²	26	39.1 Å²	39.1	14%	0.139	18%	0.182	C	C	.	.	S	Bend	trans	-130.7	-125.8	165.7	-167.3	12.1	0	0	0	108.9	T390 K438 S483 S504	N388-T390 PolarHBondContact N-O 3.13Å; N388-T390 PolarHBondContact O-N 3.4Å; N388-K438 PolarHBondContact ND2-O 3.16Å; N388-S483 PolarHBondContact ND2-OG 3.27Å; N388-S504 VanDerWaalsContact CG-OG 3.28Å; N388-S504 PolarHBondContact OD1-OG 3.39Å
389	W	92.7	Very high	88.3	Confident	26 Å²	26	35.2 Å²	35.2	10%	0.098	17%	0.169	C	C	.	.	S	Bend	trans	-63.8	-26.5	172.4	-62.3	-2.2	0	0	0	112.2	Y405 C473 M475 Q481 L505 L507	W389-Y405 HydrophobicContact CD2-CE1 4.34Å; W389-Y405 HydrophobicContact CE3-CD1 4.12Å; W389-Y405 AromaticContact CE3-CE1 3.49Å; W389-Y405 HydrophobicContact CE3-CE1 3.49Å; W389-Y405 VanDerWaalsContact CE3-CE1 3.49Å; W389-Y405 HydrophobicContact CZ3-CD1 4.2Å; W389-Y405 HydrophobicContact CZ3-CE1 4.02Å; W389-C473 HydrophobicContact CH2-CB 3.47Å; W389-C473 VanDerWaalsContact CH2-CB 3.47Å; W389-C473 WeakPolarHBondContact CH2-O 3.38Å; W389-C473 HydrophobicContact CZ2-CB 4.42Å; W389-C473 HydrophobicContact CZ3-CB 3.77Å; W389-M475 HydrophobicContact CB-CE 4.41Å; W389-M475 HydrophobicContact CB-SD 4.39Å; W389-M475 HydrophobicContact CE3-CB 3.75Å; W389-M475 HydrophobicContact CE3-SD 4.46Å; W389-M475 HydrophobicContact CZ3-CB 3.88Å; W389-Q481 HydrophobicContact CH2-CG 3.73Å; W389-Q481 HydrophobicContact CZ2-CG 3.62Å; W389-Q481 VanDerWaalsContact CZ2-NE2 3.35Å; W389-L505 PolarHBondContact NE1-O 3.17Å; W389-L507 HydrophobicContact CB-CB 4.28Å; W389-L507 HydrophobicContact CD2-CB 4.44Å; W389-L507 HydrophobicContact CD2-CD1 3.75Å; W389-L507 HydrophobicContact CE3-CD1 3.82Å; W389-L507 HydrophobicContact CG-CB 3.97Å; W389-L507 HydrophobicContact CG-CD1 4.11Å; W389-L507 HydrophobicContact CZ3-CD1 4.28Å
390	T	89.4	Confident	87.9	Confident	13 Å²	13	35.7 Å²	35.7	8%	0.08	17%	0.171	C	C	.	.	S	Bend	trans	-113.6	149.8	171	53	0	0	0	0	110.5	N388 H403 Y405 M475	N388-T390 PolarHBondContact N-O 3.13Å; N388-T390 PolarHBondContact O-N 3.4Å; T390-H403 HydrophobicContact CG2-CB 4.46Å; T390-H403 WeakPolarHBondContact CG2-CD2 3.2Å; T390-H403 WeakPolarHBondContact CG2-NE2 3.38Å; T390-Y405 VanDerWaalsContact CG2-OH 3.3Å; T390-Y405 WeakPolarHBondContact CG2-OH 3.5Å; T390-Y405 PolarHBondContact OG1-OH 2.67Å; T390-M475 HydrophobicContact CG2-SD 4.19Å
391	N	88.1	Confident	87.5	Confident	104 Å²	104	38.5 Å²	38.5	56%	0.556	19%	0.185	S	C	*	.	S	Bend	trans	-84.1	135.2	179.9	-67.7	-51.6	0	0	0	111.3	H380	H380-N391 HydrophobicContact CB-CB 4.02Å
392	G	85.5	Confident	87.1	Confident	2 Å²	2	32.7 Å²	32.7	2%	0.021	16%	0.16	C	C	.	.	S	Bend	trans	89.2	164	173.6	0	0	0	0	0	115.1	H380 N387 Y394	H380-G392 WeakPolarHBondContact ND1-CA 3.2Å; N387-G392 PolarHBondContact OD1-N 3.04Å; G392-Y394 PolarHBondContact O-N 3.26Å
393	L	83.3	Confident	86.8	Confident	20 Å²	20	32.4 Å²	32.4	11%	0.105	16%	0.156	C	C	.	.	S	Bend	trans	-61	133.3	166.7	-177.7	74.3	0	0	0	109.7	L119 K170 W173 Y386 G395 Y396	L119-L393 HydrophobicContact CD1-CD1 4.38Å; L119-L393 HydrophobicContact CD1-CD2 3.56Å; K170-L393 HydrophobicContact CD-CD1 4.14Å; W173-L393 HydrophobicContact CZ3-CD2 3.86Å; Y386-L393 HydrophobicContact CD1-CB 4.4Å; Y386-L393 HydrophobicContact CD1-CD1 3.74Å; Y386-L393 HydrophobicContact CD2-CB 4.44Å; Y386-L393 HydrophobicContact CE1-CD1 4.03Å; Y386-L393 HydrophobicContact CG-CB 4.1Å; Y386-L393 HydrophobicContact CG-CD1 4.29Å; L393-G395 PolarHBondContact O-N 2.99Å; L393-Y396 HydrophobicContact CB-CD1 3.99Å; L393-Y396 HydrophobicContact CB-CE1 3.65Å; L393-Y396 WeakPolarHBondContact O-CD1 2.95Å; L393-Y396 VanDerWaalsContact O-CE1 3.24Å; L393-Y396 WeakPolarHBondContact O-CE1 3.4Å
394	Y	77.3	Confident	86.6	Confident	80 Å²	80	34.4 Å²	34.4	31%	0.314	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	137.9	179.4	-174.1	-98.2	0	0	0	112.4	W173 N174 G392 Y439	W173-Y394 WeakPolarHBondContact O-CE1 3.08Å; N174-Y394 HydrophobicContact CB-CE1 4.12Å; G392-Y394 PolarHBondContact O-N 3.26Å; Y394-Y439 WeakPolarHBondContact CB-OH 3.47Å; Y394-Y439 WeakPolarHBondContact CD2-OH 3.49Å
395	G	72.4	Confident	86.4	Confident	4 Å²	4	32.5 Å²	32.5	4%	0.041	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	96.9	-3.5	167.6	0	0	0	0	0	117	N175 Y178 L393	N175-G395 VanDerWaalsContact CA-O 3.31Å; N175-G395 WeakPolarHBondContact CA-O 3.01Å; N175-G395 PolarHBondContact OD1-O 3.21Å; Y178-G395 VanDerWaalsContact CB-O 3.26Å; Y178-G395 WeakPolarHBondContact CB-O 2.99Å; L393-G395 PolarHBondContact O-N 2.99Å
396	Y	82.1	Confident	86.2	Confident	32 Å²	32	36.6 Å²	36.6	13%	0.125	18%	0.184	C	C	.	.	S	Bend	trans	-116.5	-4.3	172.7	84.5	-78.7	0	0	0	114.3	L376 S379 H380 L393	L376-Y396 HydrophobicContact CB-CD2 4.13Å; L376-Y396 HydrophobicContact CB-CE2 4.15Å; L376-Y396 VanDerWaalsContact O-CE2 3.23Å; L376-Y396 WeakPolarHBondContact O-CE2 3.36Å; S379-Y396 PolarHBondContact OG-OH 2.64Å; H380-Y396 AromaticContact CE1-CZ 3.65Å; H380-Y396 PolarHBondContact CE1-OH 3.44Å; H380-Y396 AromaticContact ND1-CZ 3.72Å; H380-Y396 PolarHBondContact ND1-OH 3.38Å; L393-Y396 HydrophobicContact CB-CD1 3.99Å; L393-Y396 HydrophobicContact CB-CE1 3.65Å; L393-Y396 WeakPolarHBondContact O-CD1 2.95Å; L393-Y396 VanDerWaalsContact O-CE1 3.24Å; L393-Y396 WeakPolarHBondContact O-CE1 3.4Å
397	S	84.2	Confident	86.1	Confident	2 Å²	2	36.5 Å²	36.5	1%	0.014	19%	0.186	C	C	.	.	S	Bend	trans	-89	-3.8	-179.4	-49.2	0	0	0	0	114.4	K232 H380 D399	K232-S397 WeakPolarHBondContact CE-O 3.21Å; H380-S397 PolarHBondContact CE1-OG 3.05Å; H380-S397 PolarHBondContact NE2-OG 3.14Å; H380-S397 VanDerWaalsContact NE2-OG 3.13Å; S397-D399 WeakPolarHBondContact CB-OD2 3.44Å; S397-D399 PolarHBondContact O-N 3.05Å
398	W	89.9	Confident	85.8	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.197	C	C	.	.			trans	60.2	26.6	-175.4	-46.6	111.1	0	0	0	114.4	N175 Y178 L179 L182 Q221 L225 Y228 P377 M400	N175-W398 HydrophobicContact CB-CE3 4.23Å; N175-W398 WeakPolarHBondContact O-CZ3 3.37Å; N175-W398 WeakPolarHBondContact OD1-CA 3.42Å; N175-W398 PolarHBondContact OD1-N 3.34Å; Y178-W398 AromaticContact CD1-CH2 3.62Å; Y178-W398 HydrophobicContact CD1-CH2 3.62Å; Y178-W398 AromaticContact CD1-CZ2 3.82Å; Y178-W398 HydrophobicContact CD1-CZ2 3.82Å; Y178-W398 HydrophobicContact CD1-CZ3 4.27Å; Y178-W398 HydrophobicContact CE1-CH2 4.01Å; Y178-W398 AromaticContact CE1-CZ2 3.75Å; Y178-W398 HydrophobicContact CE1-CZ2 3.75Å; L179-W398 HydrophobicContact CB-CH2 4.14Å; L179-W398 HydrophobicContact CB-CZ3 4.01Å; L179-W398 HydrophobicContact CD1-CH2 4.14Å; L179-W398 HydrophobicContact CD1-CZ3 4.42Å; L182-W398 HydrophobicContact CD1-CH2 4.14Å; L182-W398 HydrophobicContact CD1-CZ2 4.12Å; Q221-W398 VanDerWaalsContact NE2-CZ2 3.35Å; L225-W398 HydrophobicContact CD1-CD2 4.24Å; L225-W398 HydrophobicContact CD1-CE3 3.37Å; L225-W398 HydrophobicContact CD1-CZ3 3.55Å; Y228-W398 AromaticContact CD2-CD1 3.55Å; P377-W398 VanDerWaalsContact CG-CD1 3.41Å; W398-M400 PolarHBondContact O-N 3.25Å
399	D	85.3	Confident	85.7	Confident	28 Å²	28	41.1 Å²	41.1	15%	0.15	21%	0.208	C	C	.	.			trans	-75.3	66	175.8	-58.4	-38.6	0	0	0	110	N175 K232 S397 M401	N175-D399 PolarHBondContact ND2-O 3.17Å; K232-D399 WeakPolarHBondContact CD-OD1 3.41Å; K232-D399 WeakPolarHBondContact CE-OD1 3.27Å; K232-D399 WeakPolarHBondContact CG-OD1 3.08Å; K232-D399 IonicContact NZ-OD1 3.38Å; K232-D399 PolarHBondContact NZ-OD1 3.48Å; S397-D399 WeakPolarHBondContact CB-OD2 3.44Å; S397-D399 PolarHBondContact O-N 3.05Å; D399-M401 PolarHBondContact O-N 3.32Å
400	M	83.8	Confident	85.8	Confident	17 Å²	17	41.1 Å²	41.1	8%	0.084	21%	0.211	C	C	.	.			trans	-78.8	110.9	-174.3	-68.2	-165	-70.6	0	0	111.2	N175 H176 L225 A229 K233 F314 W398 V402	N175-M400 HydrophobicContact CB-CG 3.86Å; N175-M400 HydrophobicContact CB-SD 4.37Å; H176-M400 PolarHBondContact NE2-SD 3.27Å; H176-M400 VanDerWaalsContact NE2-SD 3.45Å; L225-M400 HydrophobicContact CD1-CE 3.44Å; L225-M400 VanDerWaalsContact CD1-CE 3.44Å; L225-M400 HydrophobicContact CD1-SD 3.79Å; L225-M400 HydrophobicContact CG-CE 3.89Å; A229-M400 HydrophobicContact CB-CE 3.24Å; K233-M400 PolarHBondContact NZ-O 3.5Å; F314-M400 HydrophobicContact CE1-SD 4.29Å; F314-M400 HydrophobicContact CE2-SD 4.25Å; F314-M400 HydrophobicContact CZ-CE 4.19Å; F314-M400 HydrophobicContact CZ-SD 3.74Å; W398-M400 PolarHBondContact O-N 3.25Å; M400-V402 PolarHBondContact O-N 3.22Å
401	M	82.9	Confident	86	Confident	71 Å²	71	42.1 Å²	42.1	35%	0.35	22%	0.218	S	C	.	.	S	Bend	trans	63.7	15.8	176.6	-66	-52.3	-131.8	0	0	115.8	W238 M244 F309 I311 D399	W238-M401 WeakPolarHBondContact CZ3-O 3.33Å; M244-M401 HydrophobicContact CE-CB 3.57Å; M244-M401 HydrophobicContact CE-CE 3.91Å; M244-M401 HydrophobicContact CE-CG 3.86Å; M244-M401 HydrophobicContact CE-SD 3.85Å; M244-M401 HydrophobicContact SD-CB 4.38Å; F309-M401 HydrophobicContact CB-CE 3.7Å; F309-M401 HydrophobicContact CD1-CE 3.26Å; F309-M401 HydrophobicContact CD2-CE 4.12Å; F309-M401 HydrophobicContact CE1-CE 3.82Å; F309-M401 HydrophobicContact CG-CE 3.42Å; F309-M401 VanDerWaalsContact CG-CE 3.42Å; F309-M401 HydrophobicContact CZ-CE 4.44Å; I311-M401 HydrophobicContact CG2-CE 3.9Å; D399-M401 PolarHBondContact O-N 3.32Å
402	V	84.8	Confident	86.5	Confident	4 Å²	4	37.1 Å²	37.1	2%	0.024	19%	0.192	C	C	.	.			trans	-77.3	-23.7	-177.2	-175	0	0	0	0	113	K232 K233 M400 N476	K232-V402 HydrophobicContact CB-CG2 4.29Å; K233-V402 HydrophobicContact CG-CG2 4.36Å; M400-V402 PolarHBondContact O-N 3.22Å; V402-N476 PolarHBondContact O-ND2 3.42Å; V402-N476 VanDerWaalsContact O-ND2 3.17Å
403	H	87.2	Confident	86.9	Confident	65 Å²	65	41 Å²	41	30%	0.301	21%	0.209	S	C	.	.			trans	-128	120.7	-174.4	-54.8	-63.7	0	0	0	110.3	T390 Y405 M475 N476	T390-H403 HydrophobicContact CG2-CB 4.46Å; T390-H403 WeakPolarHBondContact CG2-CD2 3.2Å; T390-H403 WeakPolarHBondContact CG2-NE2 3.38Å; H403-Y405 HydrophobicContact CB-CD2 4.27Å; H403-Y405 HydrophobicContact CB-CE2 3.8Å; H403-M475 HydrophobicContact CB-SD 4.22Å; H403-N476 WeakPolarHBondContact CA-OD1 3.38Å
404	S	87.2	Confident	87.6	Confident	68 Å²	68	40.1 Å²	40.1	48%	0.476	21%	0.205	S	C	.	.			trans	-103.9	125.1	166.4	-174.3	0	0	0	0	108.4	M475 N476	S404-M475 CarbonylContact O-C 3.29Å; S404-M475 VanDerWaalsContact O-CA 3.31Å; S404-M475 WeakPolarHBondContact O-CA 3.42Å; S404-N476 PolarHBondContact N-OD1 3.16Å; S404-N476 PolarHBondContact O-N 3.2Å; S404-N476 PolarHBondContact O-OD1 3.13Å
405	Y	89.4	Confident	88.4	Confident	58 Å²	58	37.6 Å²	37.6	23%	0.227	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	138.1	177.2	-76.2	-96.4	0	0	0	109.3	W389 T390 H403 K438 S474 M475	W389-Y405 HydrophobicContact CD2-CE1 4.34Å; W389-Y405 HydrophobicContact CE3-CD1 4.12Å; W389-Y405 AromaticContact CE3-CE1 3.49Å; W389-Y405 HydrophobicContact CE3-CE1 3.49Å; W389-Y405 VanDerWaalsContact CE3-CE1 3.49Å; W389-Y405 HydrophobicContact CZ3-CD1 4.2Å; W389-Y405 HydrophobicContact CZ3-CE1 4.02Å; T390-Y405 VanDerWaalsContact CG2-OH 3.3Å; T390-Y405 WeakPolarHBondContact CG2-OH 3.5Å; T390-Y405 PolarHBondContact OG1-OH 2.67Å; H403-Y405 HydrophobicContact CB-CD2 4.27Å; H403-Y405 HydrophobicContact CB-CE2 3.8Å; Y405-K438 HydrophobicContact CD1-CG 3.87Å; Y405-K438 HydrophobicContact CE1-CG 4.17Å; Y405-K438 HydrophobicContact CG-CG 4.33Å; Y405-S474 WeakPolarHBondContact CA-O 3.35Å; Y405-M475 HydrophobicContact CD1-CB 4.3Å; Y405-M475 HydrophobicContact CD1-CG 4.47Å; Y405-M475 HydrophobicContact CE1-CB 4.26Å; Y405-M475 HydrophobicContact CE1-CG 4.27Å; Y405-M475 HydrophobicContact CE1-SD 4.09Å; Y405-M475 HydrophobicContact CE2-CG 4.38Å; Y405-M475 HydrophobicContact CE2-SD 4.07Å
406	D	89.5	Confident	89.4	Confident	86 Å²	86	37.9 Å²	37.9	46%	0.46	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	134	170.4	-171.7	9.1	0	0	0	109.1	L408 C473 S474	D406-L408 HydrophobicContact CB-CD1 4.44Å; D406-C473 CarbonylContact O-C 3.57Å; D406-C473 WeakPolarHBondContact O-CA 3.1Å; D406-S474 PolarHBondContact N-O 3Å; D406-S474 PolarHBondContact O-N 3.38Å
407	T	90.8	Very high	89.9	Confident	27 Å²	27	39 Å²	39	17%	0.166	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	104.5	-178.5	-54.2	0	0	0	0	108.2	T410 T437 K438 I471	T407-T410 WeakPolarHBondContact CG2-OG1 3.19Å; T407-T437 HydrophobicContact CG2-CG2 4.49Å; T407-K438 WeakPolarHBondContact OG1-CE 3.38Å; T407-K438 PolarHBondContact OG1-NZ 2.86Å; T407-I471 HydrophobicContact CG2-CG2 4.46Å
408	L	85	Confident	90.2	Very high	78 Å²	78	45.7 Å²	45.7	41%	0.408	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	-35.6	-168.8	-63.6	111.5	0	0	0	112.5	D406 W472 Q480	D406-L408 HydrophobicContact CB-CD1 4.44Å; L408-W472 PolarHBondContact N-O 3.21Å; L408-W472 VanDerWaalsContact N-O 3.17Å; L408-Q480 HydrophobicContact CD1-CB 4.37Å; L408-Q480 HydrophobicContact CD1-CG 3.48Å; L408-Q480 VanDerWaalsContact CD1-CG 3.48Å
409	Q	89.9	Confident	90.1	Very high	79 Å²	79	48.3 Å²	48.3	37%	0.369	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	127.7	-179.2	-172.6	176.9	-5.9	0	0	110.5	W472	Q409-W472 HydrophobicContact CB-CB 4.23Å; Q409-W472 HydrophobicContact CB-CG 4.43Å; Q409-W472 PolarHBondContact O-N 2.63Å
410	T	94	Very high	90.3	Very high	26 Å²	26	57.2 Å²	57.2	16%	0.16	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	128.1	174.6	-55.5	0	0	0	0	107.8	T407 P427 W436 T437 D470 I471	T407-T410 WeakPolarHBondContact CG2-OG1 3.19Å; T410-P427 HydrophobicContact CG2-CB 3.57Å; T410-P427 HydrophobicContact CG2-CG 3.75Å; T410-P427 VanDerWaalsContact O-CG 3.26Å; T410-P427 WeakPolarHBondContact O-CG 3.18Å; T410-W436 HydrophobicContact CG2-CH2 3.51Å; T410-W436 HydrophobicContact CG2-CZ2 4.01Å; T410-W436 HydrophobicContact CG2-CZ3 4.41Å; T410-T437 HydrophobicContact CG2-CG2 4.19Å; T410-D470 CarbonylContact C-O 3.58Å; T410-D470 WeakPolarHBondContact CA-O 2.88Å; T410-I471 HydrophobicContact CG2-CD1 4.47Å; T410-I471 HydrophobicContact CG2-CG1 4.21Å
411	S	94.4	Very high	90.6	Very high	33 Å²	33	61.8 Å²	61.8	23%	0.231	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	135.3	175.2	-174.8	0	0	0	0	109.6	F469 D470	S411-F469 WeakPolarHBondContact O-CA 3.43Å; S411-D470 PolarHBondContact N-O 3.05Å; S411-D470 PolarHBondContact O-N 3.11Å
412	I	96.7	Very high	91	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	122.4	174.3	-59.2	-174.3	0	0	0	108.2	V414 N424 L425 P427 W436 Y446 I450 I467 F469	I412-V414 HydrophobicContact CG2-CG2 4.44Å; I412-N424 WeakPolarHBondContact O-CA 3.43Å; I412-L425 HydrophobicContact CB-CB 4.19Å; I412-L425 HydrophobicContact CG2-CB 4.07Å; I412-L425 HydrophobicContact CG2-CD2 4.37Å; I412-L425 PolarHBondContact O-N 3.11Å; I412-P427 HydrophobicContact CD1-CB 4.12Å; I412-P427 HydrophobicContact CG1-CB 4.27Å; I412-P427 HydrophobicContact CG1-CG 4.37Å; I412-W436 HydrophobicContact CD1-CH2 3.75Å; I412-W436 HydrophobicContact CD1-CZ2 4.33Å; I412-W436 HydrophobicContact CD1-CZ3 4.44Å; I412-W436 HydrophobicContact CG1-CH2 4.22Å; I412-Y446 HydrophobicContact CD1-CD1 4.16Å; I412-Y446 HydrophobicContact CD1-CE1 3.59Å; I412-I450 HydrophobicContact CD1-CD1 4Å; I412-I450 HydrophobicContact CG2-CD1 4.35Å; I412-I467 HydrophobicContact CG2-CG2 4.07Å; I412-F469 HydrophobicContact CB-CD1 4.22Å; I412-F469 HydrophobicContact CB-CE1 4.31Å; I412-F469 HydrophobicContact CD1-CD1 4.17Å; I412-F469 HydrophobicContact CD1-CE1 3.77Å; I412-F469 HydrophobicContact CD1-CZ 4.28Å; I412-F469 HydrophobicContact CG1-CD1 3.74Å; I412-F469 HydrophobicContact CG1-CE1 3.83Å; I412-F469 HydrophobicContact CG2-CD1 3.93Å; I412-F469 HydrophobicContact CG2-CE1 3.7Å
413	Q	95.9	Very high	91.4	Very high	82 Å²	82	65 Å²	65	38%	0.383	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	125.2	174.4	-63.1	-171.2	0.9	0	0	109.9	V422 N424 I467 Y468	Q413-V422 HydrophobicContact CB-CG1 4.25Å; Q413-V422 HydrophobicContact CG-CG1 4.47Å; Q413-N424 WeakPolarHBondContact CG-OD1 3.46Å; Q413-I467 WeakPolarHBondContact O-CA 3.49Å; Q413-Y468 PolarHBondContact N-O 2.87Å; Q413-Y468 PolarHBondContact O-N 3.07Å
414	V	96	Very high	91.7	Very high	3 Å²	3	67.7 Å²	67.7	2%	0.018	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	119	172.2	-176.2	0	0	0	0	107.7	I412 H423 I450 L454 I465 I467	I412-V414 HydrophobicContact CG2-CG2 4.44Å; V414-H423 HydrophobicContact CB-CB 4.46Å; V414-H423 PolarHBondContact N-O 3.34Å; V414-H423 PolarHBondContact O-N 3.25Å; V414-I450 HydrophobicContact CG2-CG2 4.49Å; V414-L454 HydrophobicContact CG1-CD1 3.95Å; V414-L454 HydrophobicContact CG2-CD1 4.13Å; V414-I465 HydrophobicContact CG1-CB 4.14Å; V414-I465 HydrophobicContact CG1-CD1 4.13Å; V414-I465 HydrophobicContact CG1-CG2 4.15Å; V414-I467 HydrophobicContact CG1-CG1 4.5Å; V414-I467 HydrophobicContact CG2-CG1 4.35Å
415	V	95.6	Very high	91.9	Very high	27 Å²	27	66.1 Å²	66.1	16%	0.164	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	118	179.9	-176	0	0	0	0	108.7	N417 Q421 V422 I465 S466 Y468	V415-N417 PolarHBondContact O-N 3.46Å; V415-Q421 WeakPolarHBondContact CA-O 3.24Å; V415-V422 HydrophobicContact CG2-CG1 4.32Å; V415-V422 HydrophobicContact CG2-CG2 4.13Å; V415-I465 CarbonylContact O-C 3.39Å; V415-I465 VanDerWaalsContact O-CA 3.26Å; V415-I465 WeakPolarHBondContact O-CA 3.34Å; V415-S466 PolarHBondContact N-O 2.97Å; V415-S466 PolarHBondContact O-N 2.93Å; V415-Y468 HydrophobicContact CB-CE2 4.26Å; V415-Y468 HydrophobicContact CG2-CD2 3.9Å; V415-Y468 HydrophobicContact CG2-CE2 3.69Å
416	D	93.4	Very high	92.1	Very high	10 Å²	10	68.3 Å²	68.3	5%	0.053	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	114.9	168	176.1	-5.2	0	0	0	108.6	E418 S419 R420 Q421 G462	D416-E418 VanDerWaalsContact C-N 3.25Å; D416-E418 PolarHBondContact O-N 3.29Å; D416-E418 WeakPolarHBondContact OD1-CB 3.44Å; D416-E418 PolarHBondContact OD1-N 3.12Å; D416-S419 VanDerWaalsContact CB-OG 3.3Å; D416-S419 WeakPolarHBondContact CB-OG 3.36Å; D416-S419 PolarHBondContact OD1-N 3.12Å; D416-S419 WeakPolarHBondContact OD2-CB 3.43Å; D416-S419 PolarHBondContact OD2-OG 2.91Å; D416-R420 WeakPolarHBondContact O-CA 3.47Å; D416-R420 PolarHBondContact O-N 2.79Å; D416-Q421 PolarHBondContact N-O 3.15Å; D416-G462 PolarHBondContact OD2-N 2.87Å
417	N	92.5	Very high	92.3	Very high	55 Å²	55	65 Å²	65	29%	0.294	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-19.1	-174.8	-60.4	-51	0	0	0	112.6	V415 N464 I465 S466	V415-N417 PolarHBondContact O-N 3.46Å; N417-N464 VanDerWaalsContact CB-O 3.28Å; N417-N464 WeakPolarHBondContact CB-O 3.37Å; N417-N464 PolarHBondContact N-O 2.86Å; N417-N464 PolarHBondContact ND2-O 3.03Å; N417-N464 PolarHBondContact ND2-OD1 3.33Å; N417-I465 VanDerWaalsContact ND2-C 3.31Å; N417-I465 PolarHBondContact ND2-O 3.47Å; N417-S466 VanDerWaalsContact CG-OG 3.3Å; N417-S466 PolarHBondContact ND2-OG 2.98Å; N417-S466 PolarHBondContact OD1-OG 2.95Å
418	E	89.7	Confident	92.4	Very high	142 Å²	142	68.1 Å²	68.1	66%	0.664	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-53	178	-64	-177.7	-174	0	0	110.8	D416 N464	D416-E418 VanDerWaalsContact C-N 3.25Å; D416-E418 PolarHBondContact O-N 3.29Å; D416-E418 WeakPolarHBondContact OD1-CB 3.44Å; D416-E418 PolarHBondContact OD1-N 3.12Å; E418-N464 HydrophobicContact CG-CB 4.46Å
419	S	87.9	Confident	92.7	Very high	55 Å²	55	66.3 Å²	66.3	39%	0.385	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-15.7	-179.1	69.4	0	0	0	0	113.8	D416 Q421	D416-S419 VanDerWaalsContact CB-OG 3.3Å; D416-S419 WeakPolarHBondContact CB-OG 3.36Å; D416-S419 PolarHBondContact OD1-N 3.12Å; D416-S419 WeakPolarHBondContact OD2-CB 3.43Å; D416-S419 PolarHBondContact OD2-OG 2.91Å; S419-Q421 PolarHBondContact O-N 3.02Å; S419-Q421 PolarHBondContact OG-N 3.38Å
420	R	89.5	Confident	92.9	Very high	215 Å²	215	63.9 Å²	63.9	81%	0.811	32%	0.323	S	S	*	.			trans	58.1	21	-170.9	-56.9	-175.5	178.1	179.4	-0.5	113.7	D416	D416-R420 WeakPolarHBondContact O-CA 3.47Å; D416-R420 PolarHBondContact O-N 2.79Å
421	Q	90.3	Very high	92.8	Very high	113 Å²	113	62.7 Å²	62.7	53%	0.528	32%	0.316	S	S	.	.			trans	-78.9	142.2	173.5	-65.7	-170.4	12.8	0	0	110.4	V415 D416 S419 H423	V415-Q421 WeakPolarHBondContact CA-O 3.24Å; D416-Q421 PolarHBondContact N-O 3.15Å; S419-Q421 PolarHBondContact O-N 3.02Å; S419-Q421 PolarHBondContact OG-N 3.38Å; Q421-H423 PolarHBondContact OE1-CE1 3.41Å
422	V	92.3	Very high	92.5	Very high	80 Å²	80	64.9 Å²	64.9	49%	0.485	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	121.9	176.1	-175.6	0	0	0	0	107.8	Q413 V415	Q413-V422 HydrophobicContact CB-CG1 4.25Å; Q413-V422 HydrophobicContact CG-CG1 4.47Å; V415-V422 HydrophobicContact CG2-CG1 4.32Å; V415-V422 HydrophobicContact CG2-CG2 4.13Å
423	H	92	Very high	92.3	Very high	64 Å²	64	66 Å²	66	30%	0.296	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	126.7	177.6	-56.7	-78	0	0	0	109.2	V414 Q421	V414-H423 HydrophobicContact CB-CB 4.46Å; V414-H423 PolarHBondContact N-O 3.34Å; V414-H423 PolarHBondContact O-N 3.25Å; Q421-H423 PolarHBondContact OE1-CE1 3.41Å
424	N	92.9	Very high	92	Very high	120 Å²	120	65 Å²	65	64%	0.642	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.1	125.2	172.1	-65.6	-48.3	0	0	0	108.8	I412 Q413	I412-N424 WeakPolarHBondContact O-CA 3.43Å; Q413-N424 WeakPolarHBondContact CG-OD1 3.46Å
425	L	92.8	Very high	91.8	Very high	36 Å²	36	67.5 Å²	67.5	19%	0.188	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	142.1	177.4	-170.9	72.4	0	0	0	109.6	I412 P427 A429 F430 I450	I412-L425 HydrophobicContact CB-CB 4.19Å; I412-L425 HydrophobicContact CG2-CB 4.07Å; I412-L425 HydrophobicContact CG2-CD2 4.37Å; I412-L425 PolarHBondContact O-N 3.11Å; L425-P427 VanDerWaalsContact O-CD 3.32Å; L425-P427 WeakPolarHBondContact O-CD 3.47Å; L425-A429 HydrophobicContact CD1-CB 4.33Å; L425-A429 HydrophobicContact CG-CB 4.38Å; L425-F430 HydrophobicContact CD1-CE2 4.45Å; L425-F430 HydrophobicContact CD2-CD2 4.35Å; L425-F430 HydrophobicContact CD2-CE2 4.04Å; L425-I450 HydrophobicContact CD2-CD1 3.99Å; L425-I450 HydrophobicContact CD2-CG1 4.07Å; L425-I450 HydrophobicContact CD2-CG2 3.85Å
426	N	93	Very high	91.7	Very high	103 Å²	103	66.2 Å²	66.2	55%	0.551	33%	0.325	S	S	*	.	P	Polyproline II helix	trans	-61	121.3	165.6	178.6	-15.6	0	0	0	108.5	Y428 A429	N426-Y428 PolarHBondContact O-N 2.81Å; N426-Y428 PolarHBondContact OD1-N 3.12Å; N426-A429 HydrophobicContact CB-CB 4.31Å; N426-A429 VanDerWaalsContact O-CB 3.3Å; N426-A429 WeakPolarHBondContact O-CB 3.4Å; N426-A429 PolarHBondContact O-N 3Å
427	P	93.8	Very high	91.8	Very high	18 Å²	18	65.7 Å²	65.7	12%	0.117	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-19.7	-177.8	-25.2	33.5	0	0	0	116	T410 I412 L425 W436 Y446	T410-P427 HydrophobicContact CG2-CB 3.57Å; T410-P427 HydrophobicContact CG2-CG 3.75Å; T410-P427 VanDerWaalsContact O-CG 3.26Å; T410-P427 WeakPolarHBondContact O-CG 3.18Å; I412-P427 HydrophobicContact CD1-CB 4.12Å; I412-P427 HydrophobicContact CG1-CB 4.27Å; I412-P427 HydrophobicContact CG1-CG 4.37Å; L425-P427 VanDerWaalsContact O-CD 3.32Å; L425-P427 WeakPolarHBondContact O-CD 3.47Å; P427-W436 HydrophobicContact CB-CH2 4.24Å; P427-W436 HydrophobicContact CB-CZ2 4Å; P427-W436 WeakPolarHBondContact O-CZ2 3.24Å; P427-Y446 WeakPolarHBondContact O-CE1 3.4Å; P427-Y446 PolarHBondContact O-OH 3.4Å
428	Y	92.8	Very high	91.8	Very high	91 Å²	91	63.7 Å²	63.7	36%	0.357	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.2	15.2	-178.3	-56.5	-72.2	0	0	0	113	N426 F430 T431 D434	N426-Y428 PolarHBondContact O-N 2.81Å; N426-Y428 PolarHBondContact OD1-N 3.12Å; Y428-F430 PolarHBondContact O-N 3.48Å; Y428-T431 CarbonylContact C-O 3.58Å; Y428-T431 VanDerWaalsContact CA-O 3.25Å; Y428-T431 WeakPolarHBondContact CA-O 3.35Å; Y428-T431 WeakPolarHBondContact CB-O 3.36Å; Y428-D434 HydrophobicContact CE1-CB 4.22Å; Y428-D434 PolarHBondContact OH-OD1 2.82Å
429	A	91.4	Very high	92	Very high	41 Å²	41	57.3 Å²	57.3	34%	0.339	28%	0.281	S	S	.	.	S	Bend	trans	-57.2	-34.9	-177.9	0	0	0	0	0	113.4	L425 N426	L425-A429 HydrophobicContact CD1-CB 4.33Å; L425-A429 HydrophobicContact CG-CB 4.38Å; N426-A429 HydrophobicContact CB-CB 4.31Å; N426-A429 VanDerWaalsContact O-CB 3.3Å; N426-A429 WeakPolarHBondContact O-CB 3.4Å; N426-A429 PolarHBondContact O-N 3Å
430	F	93.4	Very high	92.3	Very high	27 Å²	27	54.8 Å²	54.8	12%	0.118	26%	0.264	C	S	.	.	S	Bend	trans	-119.4	1.4	-174.8	-55.7	-63.3	0	0	0	114.2	L113 H114 C115 L425 Y428 Y446 I450 N453	L113-F430 HydrophobicContact CB-CD1 4.21Å; L113-F430 HydrophobicContact CD1-CD1 4.5Å; L113-F430 HydrophobicContact CD1-CE1 4.02Å; H114-F430 WeakPolarHBondContact CA-O 3.34Å; H114-F430 PolarHBondContact CD2-O 3.18Å; C115-F430 HydrophobicContact CB-CB 4.48Å; C115-F430 PolarHBondContact N-O 3.02Å; C115-F430 WeakPolarHBondContact SG-CB 3.43Å; L425-F430 HydrophobicContact CD1-CE2 4.45Å; L425-F430 HydrophobicContact CD2-CD2 4.35Å; L425-F430 HydrophobicContact CD2-CE2 4.04Å; Y428-F430 PolarHBondContact O-N 3.48Å; F430-Y446 HydrophobicContact CB-CE2 4.17Å; F430-I450 HydrophobicContact CD2-CG1 4.03Å; F430-I450 HydrophobicContact CE2-CG1 4.42Å; F430-N453 HydrophobicContact CD1-CB 4.22Å; F430-N453 WeakPolarHBondContact CD1-ND2 3.43Å; F430-N453 HydrophobicContact CD2-CB 4.44Å; F430-N453 HydrophobicContact CE1-CB 3.83Å; F430-N453 HydrophobicContact CE2-CB 4.06Å; F430-N453 WeakPolarHBondContact CG-ND2 3.31Å; F430-N453 HydrophobicContact CZ-CB 3.74Å
431	T	92.1	Very high	92.5	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.012	23%	0.226	C	C	.	.			trans	-158.3	140.4	174.8	-173.2	0	0	0	0	110.4	H114 F117 Y428 Y433 Y446	H114-T431 PolarHBondContact NE2-OG1 3.44Å; F117-T431 HydrophobicContact CE2-CG2 4.25Å; F117-T431 HydrophobicContact CZ-CG2 4.22Å; Y428-T431 CarbonylContact C-O 3.58Å; Y428-T431 VanDerWaalsContact CA-O 3.25Å; Y428-T431 WeakPolarHBondContact CA-O 3.35Å; Y428-T431 WeakPolarHBondContact CB-O 3.36Å; T431-Y433 VanDerWaalsContact C-N 3.27Å; T431-Y433 VanDerWaalsContact OG1-CD2 3.23Å; T431-Y433 WeakPolarHBondContact OG1-CD2 3.13Å; T431-Y433 PolarHBondContact OG1-N 2.87Å; T431-Y446 HydrophobicContact CG2-CD2 4.2Å; T431-Y446 HydrophobicContact CG2-CE1 4.47Å; T431-Y446 HydrophobicContact CG2-CE2 3.59Å
432	E	89.1	Confident	92.7	Very high	78 Å²	78	39.5 Å²	39.5	36%	0.364	20%	0.202	S	C	.	.	S	Bend	trans	-80.9	-8.5	170.6	67.4	-79.9	-178.1	0	0	113	H114	H114-E432 IonicContact CD2-OE2 2.79Å; H114-E432 PolarHBondContact CD2-OE2 3.05Å; H114-E432 IonicContact NE2-OE1 2.55Å; H114-E432 IonicContact NE2-OE2 2.64Å; H114-E432 PolarHBondContact NE2-OE2 3.4Å
433	Y	91	Very high	92.9	Very high	25 Å²	25	35.7 Å²	35.7	10%	0.098	18%	0.179	C	C	.	.			trans	-77.7	140.4	-176.4	-55.8	-37.1	0	0	0	111.5	H114 F117 D169 P171 T172 T431 W436	H114-Y433 AromaticContact CE1-CE2 3.67Å; F117-Y433 HydrophobicContact CD2-CD2 4Å; F117-Y433 AromaticContact CE2-CD2 3.96Å; F117-Y433 HydrophobicContact CE2-CD2 3.96Å; D169-Y433 WeakPolarHBondContact OD1-CE2 3.42Å; D169-Y433 PolarHBondContact OD2-OH 3.11Å; P171-Y433 HydrophobicContact CB-CD1 4.07Å; P171-Y433 HydrophobicContact CB-CD2 3.56Å; P171-Y433 HydrophobicContact CB-CE2 4.25Å; P171-Y433 HydrophobicContact CB-CG 3.47Å; P171-Y433 VanDerWaalsContact CB-CG 3.47Å; P171-Y433 HydrophobicContact CG-CD2 3.59Å; P171-Y433 HydrophobicContact CG-CE2 4.32Å; P171-Y433 HydrophobicContact CG-CG 3.96Å; T172-Y433 HydrophobicContact CG2-CE1 3.87Å; T172-Y433 HydrophobicContact CG2-CE2 4.47Å; T431-Y433 VanDerWaalsContact C-N 3.27Å; T431-Y433 VanDerWaalsContact OG1-CD2 3.23Å; T431-Y433 WeakPolarHBondContact OG1-CD2 3.13Å; T431-Y433 PolarHBondContact OG1-N 2.87Å; Y433-W436 PolarHBondContact O-NE1 3.05Å
434	D	91.4	Very high	93.1	Very high	60 Å²	60	32.9 Å²	32.9	32%	0.321	17%	0.166	S	C	.	.			trans	-103.5	-8.6	175.7	172.4	41.9	0	0	0	111.8	Y428 W436 T437 K438	Y428-D434 HydrophobicContact CE1-CB 4.22Å; Y428-D434 PolarHBondContact OH-OD1 2.82Å; D434-W436 VanDerWaalsContact C-N 3.3Å; D434-W436 PolarHBondContact O-N 2.83Å; D434-T437 PolarHBondContact O-N 3.07Å; D434-T437 PolarHBondContact O-OG1 3.45Å; D434-T437 PolarHBondContact OD1-OG1 3.37Å; D434-K438 PolarHBondContact O-NZ 2.85Å; D434-K438 IonicContact OD1-NZ 3.03Å; D434-K438 PolarHBondContact OD1-NZ 2.74Å; D434-K438 IonicContact OD2-NZ 2.81Å; D434-K438 PolarHBondContact OD2-NZ 3.01Å
435	R	91.8	Very high	93.2	Very high	55 Å²	55	28.4 Å²	28.4	21%	0.208	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-67.9	-27.1	-174.3	-161.3	175.5	-68.5	177.1	-5	113.8	K170 P171 W173 T437 K438 Y439 M442	K170-R435 PolarHBondContact O-NH1 2.84Å; P171-R435 HydrophobicContact CB-CB 4.13Å; P171-R435 PolarHBondContact O-NE 2.78Å; P171-R435 PolarHBondContact O-NH1 3.11Å; P171-R435 PolarHBondContact O-NH2 3.27Å; W173-R435 VanDerWaalsContact O-CZ 3.23Å; W173-R435 PolarHBondContact O-NH1 2.59Å; W173-R435 PolarHBondContact O-NH2 3.44Å; R435-T437 PolarHBondContact O-N 3.29Å; R435-T437 VanDerWaalsContact O-N 3.1Å; R435-K438 PolarHBondContact O-N 3.23Å; R435-Y439 HydrophobicContact CG-CD2 3.67Å; R435-Y439 HydrophobicContact CG-CE2 3.5Å; R435-Y439 WeakPolarHBondContact O-CD2 3.28Å; R435-M442 HydrophobicContact CB-CE 4.23Å; R435-M442 HydrophobicContact CG-CE 3.7Å
436	W	93.6	Very high	93.4	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-61	-21.6	179.7	64.6	-95.6	0	0	0	113	F117 T410 I412 P427 Y433 D434 K438 M442 Y446 F469 I471	F117-W436 HydrophobicContact CE1-CB 3.69Å; F117-W436 HydrophobicContact CE1-CG 4.39Å; F117-W436 HydrophobicContact CZ-CB 3.83Å; F117-W436 HydrophobicContact CZ-CG 4.11Å; T410-W436 HydrophobicContact CG2-CH2 3.51Å; T410-W436 HydrophobicContact CG2-CZ2 4.01Å; T410-W436 HydrophobicContact CG2-CZ3 4.41Å; I412-W436 HydrophobicContact CD1-CH2 3.75Å; I412-W436 HydrophobicContact CD1-CZ2 4.33Å; I412-W436 HydrophobicContact CD1-CZ3 4.44Å; I412-W436 HydrophobicContact CG1-CH2 4.22Å; P427-W436 HydrophobicContact CB-CH2 4.24Å; P427-W436 HydrophobicContact CB-CZ2 4Å; P427-W436 WeakPolarHBondContact O-CZ2 3.24Å; Y433-W436 PolarHBondContact O-NE1 3.05Å; D434-W436 VanDerWaalsContact C-N 3.3Å; D434-W436 PolarHBondContact O-N 2.83Å; W436-K438 PolarHBondContact O-N 3.04Å; W436-M442 HydrophobicContact CB-CB 3.78Å; W436-Y446 AromaticContact CD2-CD1 3.71Å; W436-Y446 HydrophobicContact CD2-CD1 3.71Å; W436-Y446 HydrophobicContact CD2-CE1 4.22Å; W436-Y446 HydrophobicContact CD2-CG 4.34Å; W436-Y446 AromaticContact CE2-CD1 3.78Å; W436-Y446 AromaticContact CE2-CE1 3.79Å; W436-Y446 AromaticContact CE3-CD1 3.76Å; W436-Y446 HydrophobicContact CE3-CD1 3.76Å; W436-Y446 HydrophobicContact CE3-CE1 4.48Å; W436-Y446 HydrophobicContact CG-CD1 4.35Å; W436-Y446 AromaticContact CH2-CD1 3.98Å; W436-Y446 HydrophobicContact CH2-CD1 3.98Å; W436-Y446 AromaticContact CH2-CE1 3.97Å; W436-Y446 HydrophobicContact CH2-CE1 3.97Å; W436-Y446 AromaticContact CZ2-CD1 3.94Å; W436-Y446 HydrophobicContact CZ2-CD1 3.94Å; W436-Y446 AromaticContact CZ2-CE1 3.68Å; W436-Y446 HydrophobicContact CZ2-CE1 3.68Å; W436-Y446 AromaticContact CZ3-CD1 3.88Å; W436-Y446 HydrophobicContact CZ3-CD1 3.88Å; W436-Y446 HydrophobicContact CZ3-CE1 4.35Å; W436-F469 HydrophobicContact CE3-CD2 4.17Å; W436-F469 AromaticContact CE3-CE2 3.89Å; W436-F469 HydrophobicContact CE3-CE2 3.89Å; W436-F469 AromaticContact CZ3-CD2 3.57Å; W436-F469 HydrophobicContact CZ3-CD2 3.57Å; W436-F469 AromaticContact CZ3-CE2 3.55Å; W436-F469 HydrophobicContact CZ3-CE2 3.55Å; W436-F469 HydrophobicContact CZ3-CG 4.24Å; W436-F469 HydrophobicContact CZ3-CZ 4.18Å; W436-I471 HydrophobicContact CE3-CD1 4.23Å; W436-I471 HydrophobicContact CH2-CD1 4.28Å; W436-I471 HydrophobicContact CZ3-CD1 3.6Å
437	T	94.7	Very high	93.6	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.106	C	C	.	.	G	3₁₀ helix	trans	-71.1	-16.5	178	67.5	0	0	0	0	113.1	T407 T410 D434 R435 I471 S483 F484	T407-T437 HydrophobicContact CG2-CG2 4.49Å; T410-T437 HydrophobicContact CG2-CG2 4.19Å; D434-T437 PolarHBondContact O-N 3.07Å; D434-T437 PolarHBondContact O-OG1 3.45Å; D434-T437 PolarHBondContact OD1-OG1 3.37Å; R435-T437 PolarHBondContact O-N 3.29Å; R435-T437 VanDerWaalsContact O-N 3.1Å; T437-I471 HydrophobicContact CG2-CD1 4.12Å; T437-I471 HydrophobicContact CG2-CG2 4.29Å; T437-S483 WeakPolarHBondContact O-CB 3.47Å; T437-S483 PolarHBondContact O-OG 2.77Å; T437-F484 WeakPolarHBondContact O-CE2 3.22Å
438	K	92.1	Very high	93.7	Very high	12 Å²	12	26.3 Å²	26.3	5%	0.052	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.9	-13.5	-178.2	-62	93.8	-166.2	164.8	0	114.7	N388 Y405 T407 D434 R435 W436	N388-K438 PolarHBondContact ND2-O 3.16Å; Y405-K438 HydrophobicContact CD1-CG 3.87Å; Y405-K438 HydrophobicContact CE1-CG 4.17Å; Y405-K438 HydrophobicContact CG-CG 4.33Å; T407-K438 WeakPolarHBondContact OG1-CE 3.38Å; T407-K438 PolarHBondContact OG1-NZ 2.86Å; D434-K438 PolarHBondContact O-NZ 2.85Å; D434-K438 IonicContact OD1-NZ 3.03Å; D434-K438 PolarHBondContact OD1-NZ 2.74Å; D434-K438 IonicContact OD2-NZ 2.81Å; D434-K438 PolarHBondContact OD2-NZ 3.01Å; R435-K438 PolarHBondContact O-N 3.23Å; W436-K438 PolarHBondContact O-N 3.04Å
439	Y	93.4	Very high	93.8	Very high	8 Å²	8	23 Å²	23	3%	0.031	11%	0.111	C	C	.	.			trans	-130.4	125.3	-173.7	-59.1	-94.2	0	0	0	111.1	Y394 R435 D441 M442 A443	Y394-Y439 WeakPolarHBondContact CB-OH 3.47Å; Y394-Y439 WeakPolarHBondContact CD2-OH 3.49Å; R435-Y439 HydrophobicContact CG-CD2 3.67Å; R435-Y439 HydrophobicContact CG-CE2 3.5Å; R435-Y439 WeakPolarHBondContact O-CD2 3.28Å; Y439-D441 VanDerWaalsContact C-N 3.3Å; Y439-D441 VanDerWaalsContact CB-OD1 3.28Å; Y439-D441 WeakPolarHBondContact CB-OD1 3.27Å; Y439-D441 PolarHBondContact O-N 3.34Å; Y439-M442 HydrophobicContact CD2-CE 3.32Å; Y439-M442 HydrophobicContact CE2-CE 4.22Å; Y439-M442 HydrophobicContact CG-CE 3.58Å; Y439-M442 PolarHBondContact O-N 3.24Å; Y439-A443 PolarHBondContact O-N 3.09Å
440	A	94.5	Very high	94	Very high	3 Å²	3	21 Å²	21	3%	0.025	9%	0.094	C	C	.	.	H	α-helix	trans	-59.6	-38.5	-173.4	0	0	0	0	0	113.3	M442 A443 V444 F484 T501 W503	A440-M442 VanDerWaalsContact C-N 3.33Å; A440-M442 PolarHBondContact O-N 3.09Å; A440-A443 PolarHBondContact O-N 2.92Å; A440-V444 WeakPolarHBondContact O-CG2 3.4Å; A440-V444 PolarHBondContact O-N 3.35Å; A440-F484 HydrophobicContact CB-CE1 4.08Å; A440-T501 HydrophobicContact CB-CG2 3.79Å; A440-W503 HydrophobicContact CB-CH2 3.49Å; A440-W503 VanDerWaalsContact CB-CH2 3.49Å; A440-W503 HydrophobicContact CB-CZ2 3.86Å; A440-W503 HydrophobicContact CB-CZ3 4.05Å; A440-W503 WeakPolarHBondContact O-CH2 3.47Å
441	D	93.9	Very high	94.1	Very high	2 Å²	2	22.4 Å²	22.4	1%	0.011	10%	0.101	C	C	.	.	H	α-helix	trans	-62.6	-42.2	179.3	70.8	-48.7	0	0	0	111.7	K170 Y386 Y439 Q445 W495	K170-D441 IonicContact NZ-OD2 2.96Å; K170-D441 PolarHBondContact NZ-OD2 3.42Å; Y386-D441 HydrophobicContact CD1-CB 4.21Å; Y386-D441 HydrophobicContact CE1-CB 4.1Å; Y386-D441 WeakPolarHBondContact CE1-OD2 3.42Å; Y439-D441 VanDerWaalsContact C-N 3.3Å; Y439-D441 VanDerWaalsContact CB-OD1 3.28Å; Y439-D441 WeakPolarHBondContact CB-OD1 3.27Å; Y439-D441 PolarHBondContact O-N 3.34Å; D441-Q445 VanDerWaalsContact O-CG 3.27Å; D441-Q445 WeakPolarHBondContact O-CG 3.33Å; D441-Q445 PolarHBondContact O-N 3.32Å; D441-W495 HydrophobicContact CB-CD2 4.05Å; D441-W495 HydrophobicContact CB-CE3 4.47Å; D441-W495 HydrophobicContact CB-CH2 3.69Å; D441-W495 HydrophobicContact CB-CZ2 3.21Å; D441-W495 HydrophobicContact CB-CZ3 4.3Å
442	M	94.9	Very high	94.1	Very high	4 Å²	4	27.2 Å²	27.2	2%	0.02	12%	0.124	C	C	.	.	H	α-helix	trans	-72	-36.6	176.5	-70.9	-170.7	-78.4	0	0	111.7	F117 K170 P171 R435 W436 Y439 A440 V444 Q445 Y446	F117-M442 HydrophobicContact CB-CG 4.13Å; F117-M442 HydrophobicContact CB-SD 4.15Å; F117-M442 HydrophobicContact CD1-CB 3.67Å; F117-M442 HydrophobicContact CD1-CG 3.77Å; F117-M442 HydrophobicContact CD1-SD 4.32Å; F117-M442 HydrophobicContact CE1-CB 4.03Å; F117-M442 WeakPolarHBondContact CE1-O 3.27Å; F117-M442 HydrophobicContact CG-CG 4.23Å; F117-M442 HydrophobicContact CG-SD 4.3Å; K170-M442 HydrophobicContact CB-SD 3.98Å; P171-M442 HydrophobicContact CG-SD 3.8Å; R435-M442 HydrophobicContact CB-CE 4.23Å; R435-M442 HydrophobicContact CG-CE 3.7Å; W436-M442 HydrophobicContact CB-CB 3.78Å; Y439-M442 HydrophobicContact CD2-CE 3.32Å; Y439-M442 HydrophobicContact CE2-CE 4.22Å; Y439-M442 HydrophobicContact CG-CE 3.58Å; Y439-M442 PolarHBondContact O-N 3.24Å; A440-M442 VanDerWaalsContact C-N 3.33Å; A440-M442 PolarHBondContact O-N 3.09Å; M442-V444 VanDerWaalsContact C-N 3.34Å; M442-V444 PolarHBondContact O-N 3.11Å; M442-Q445 PolarHBondContact O-N 2.95Å; M442-Y446 WeakPolarHBondContact O-CB 3.45Å; M442-Y446 PolarHBondContact O-N 3.45Å
443	A	96.2	Very high	94.3	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-60.1	-43.1	174	0	0	0	0	0	112.3	Y439 A440 Y446 A447 F469 F484 L490 W503	Y439-A443 PolarHBondContact O-N 3.09Å; A440-A443 PolarHBondContact O-N 2.92Å; A443-Y446 PolarHBondContact O-N 2.91Å; A443-A447 PolarHBondContact O-N 3.23Å; A443-F469 HydrophobicContact CB-CD2 4.14Å; A443-F469 HydrophobicContact CB-CE2 4.04Å; A443-F469 WeakPolarHBondContact O-CE2 3.1Å; A443-F484 HydrophobicContact CB-CD2 4.26Å; A443-F484 HydrophobicContact CB-CE2 3.6Å; A443-F484 HydrophobicContact CB-CZ 3.88Å; A443-L490 HydrophobicContact CB-CD1 4.29Å; A443-W503 HydrophobicContact CB-CH2 4.28Å; A443-W503 HydrophobicContact CB-CZ3 4.49Å
444	V	95.8	Very high	94.4	Very high	5 Å²	5	23.3 Å²	23.3	3%	0.03	11%	0.107	C	C	.	.	H	α-helix	trans	-65.9	-41.5	174.7	173.7	0	0	0	0	111.6	A440 M442 Y446 A447 R448 W495 W503	A440-V444 WeakPolarHBondContact O-CG2 3.4Å; A440-V444 PolarHBondContact O-N 3.35Å; M442-V444 VanDerWaalsContact C-N 3.34Å; M442-V444 PolarHBondContact O-N 3.11Å; V444-Y446 VanDerWaalsContact C-N 3.28Å; V444-Y446 PolarHBondContact O-N 3.25Å; V444-A447 PolarHBondContact O-N 3.1Å; V444-R448 WeakPolarHBondContact O-CG 3.49Å; V444-R448 PolarHBondContact O-N 2.96Å; V444-W495 HydrophobicContact CG2-CB 4.12Å; V444-W503 HydrophobicContact CG2-CH2 3.85Å; V444-W503 HydrophobicContact CG2-CZ2 3.55Å
445	Q	95.7	Very high	94.3	Very high	26 Å²	26	25.3 Å²	25.3	12%	0.121	11%	0.114	C	C	.	.	H	α-helix	trans	-61.2	-39.6	174.7	-74.1	175.1	-6.1	0	0	111.4	F117 P118 K170 D441 M442 R448 C449	F117-Q445 VanDerWaalsContact CA-OE1 3.29Å; F117-Q445 HydrophobicContact CD1-CB 4.03Å; F117-Q445 HydrophobicContact CE1-CB 4.46Å; P118-Q445 PolarHBondContact O-NE2 3.45Å; K170-Q445 VanDerWaalsContact NZ-NE2 3.19Å; D441-Q445 VanDerWaalsContact O-CG 3.27Å; D441-Q445 WeakPolarHBondContact O-CG 3.33Å; D441-Q445 PolarHBondContact O-N 3.32Å; M442-Q445 PolarHBondContact O-N 2.95Å; Q445-R448 PolarHBondContact O-N 3Å; Q445-C449 WeakPolarHBondContact O-CB 3.42Å; Q445-C449 PolarHBondContact O-N 3.27Å
446	Y	96.8	Very high	94	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-68.1	-44.7	179.5	-162.6	-141.2	0	0	0	112.2	C115 F117 I412 P427 F430 T431 W436 M442 A443 V444 R448 C449 I450 F469	C115-Y446 HydrophobicContact CB-CD2 3.84Å; C115-Y446 HydrophobicContact CB-CE2 3.87Å; F117-Y446 HydrophobicContact CE1-CD2 4.41Å; F117-Y446 HydrophobicContact CE1-CG 4.4Å; F117-Y446 AromaticContact CZ-CD2 3.91Å; F117-Y446 HydrophobicContact CZ-CD2 3.91Å; F117-Y446 HydrophobicContact CZ-CG 4.2Å; I412-Y446 HydrophobicContact CD1-CD1 4.16Å; I412-Y446 HydrophobicContact CD1-CE1 3.59Å; P427-Y446 WeakPolarHBondContact O-CE1 3.4Å; P427-Y446 PolarHBondContact O-OH 3.4Å; F430-Y446 HydrophobicContact CB-CE2 4.17Å; T431-Y446 HydrophobicContact CG2-CD2 4.2Å; T431-Y446 HydrophobicContact CG2-CE1 4.47Å; T431-Y446 HydrophobicContact CG2-CE2 3.59Å; W436-Y446 AromaticContact CD2-CD1 3.71Å; W436-Y446 HydrophobicContact CD2-CD1 3.71Å; W436-Y446 HydrophobicContact CD2-CE1 4.22Å; W436-Y446 HydrophobicContact CD2-CG 4.34Å; W436-Y446 AromaticContact CE2-CD1 3.78Å; W436-Y446 AromaticContact CE2-CE1 3.79Å; W436-Y446 AromaticContact CE3-CD1 3.76Å; W436-Y446 HydrophobicContact CE3-CD1 3.76Å; W436-Y446 HydrophobicContact CE3-CE1 4.48Å; W436-Y446 HydrophobicContact CG-CD1 4.35Å; W436-Y446 AromaticContact CH2-CD1 3.98Å; W436-Y446 HydrophobicContact CH2-CD1 3.98Å; W436-Y446 AromaticContact CH2-CE1 3.97Å; W436-Y446 HydrophobicContact CH2-CE1 3.97Å; W436-Y446 AromaticContact CZ2-CD1 3.94Å; W436-Y446 HydrophobicContact CZ2-CD1 3.94Å; W436-Y446 AromaticContact CZ2-CE1 3.68Å; W436-Y446 HydrophobicContact CZ2-CE1 3.68Å; W436-Y446 AromaticContact CZ3-CD1 3.88Å; W436-Y446 HydrophobicContact CZ3-CD1 3.88Å; W436-Y446 HydrophobicContact CZ3-CE1 4.35Å; M442-Y446 WeakPolarHBondContact O-CB 3.45Å; M442-Y446 PolarHBondContact O-N 3.45Å; A443-Y446 PolarHBondContact O-N 2.91Å; V444-Y446 VanDerWaalsContact C-N 3.28Å; V444-Y446 PolarHBondContact O-N 3.25Å; Y446-R448 VanDerWaalsContact C-N 3.3Å; Y446-R448 PolarHBondContact O-N 3.23Å; Y446-C449 PolarHBondContact O-N 3.36Å; Y446-C449 VanDerWaalsContact O-N 3.15Å; Y446-I450 HydrophobicContact CD1-CD1 3.78Å; Y446-I450 HydrophobicContact CD2-CD1 4.42Å; Y446-I450 HydrophobicContact CD2-CG1 4.37Å; Y446-I450 HydrophobicContact CE1-CD1 3.67Å; Y446-I450 HydrophobicContact CE1-CG1 4.37Å; Y446-I450 HydrophobicContact CE2-CD1 4.3Å; Y446-I450 HydrophobicContact CE2-CG1 4.13Å; Y446-I450 HydrophobicContact CG-CD1 4.13Å; Y446-I450 WeakPolarHBondContact O-CG1 3.19Å; Y446-I450 PolarHBondContact O-N 3.06Å; Y446-F469 HydrophobicContact CD1-CE2 4.25Å; Y446-F469 AromaticContact CD1-CZ 3.86Å; Y446-F469 HydrophobicContact CD1-CZ 3.86Å; Y446-F469 HydrophobicContact CG-CZ 4.5Å
447	A	97	Very high	93.5	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-56.2	-44.8	176.5	0	0	0	0	0	111.7	A443 V444 I450 E451 I467 F469 L490 L491	A443-A447 PolarHBondContact O-N 3.23Å; V444-A447 PolarHBondContact O-N 3.1Å; A447-I450 PolarHBondContact O-N 3.19Å; A447-E451 PolarHBondContact O-N 3.07Å; A447-I467 HydrophobicContact CB-CD1 4.46Å; A447-I467 HydrophobicContact CB-CG2 4.42Å; A447-I467 WeakPolarHBondContact O-CD1 3.36Å; A447-F469 HydrophobicContact CB-CZ 4.17Å; A447-L490 HydrophobicContact CB-CB 3.71Å; A447-L491 HydrophobicContact CB-CD2 3.97Å; A447-L491 WeakPolarHBondContact O-CD2 3.4Å
448	R	95.6	Very high	92.7	Very high	114 Å²	114	39.7 Å²	39.7	43%	0.43	18%	0.182	S	C	.	.	H	α-helix	trans	-65	-41.2	176.4	-69	178.3	-175.4	173.2	3.1	112.8	V444 Q445 Y446 I450 E451 E452 L491	V444-R448 WeakPolarHBondContact O-CG 3.49Å; V444-R448 PolarHBondContact O-N 2.96Å; Q445-R448 PolarHBondContact O-N 3Å; Y446-R448 VanDerWaalsContact C-N 3.3Å; Y446-R448 PolarHBondContact O-N 3.23Å; R448-I450 VanDerWaalsContact C-N 3.34Å; R448-E451 WeakPolarHBondContact O-CB 3.3Å; R448-E451 PolarHBondContact O-N 3.41Å; R448-E452 WeakPolarHBondContact O-CG 3.35Å; R448-E452 PolarHBondContact O-N 3.21Å; R448-L491 HydrophobicContact CG-CD2 4.37Å
449	C	95.1	Very high	91.8	Very high	21 Å²	21	44.2 Å²	44.2	14%	0.142	21%	0.212	C	C	.	.	H	α-helix	trans	-63.9	-40.6	176	-177	0	0	0	0	111.9	C115 Q445 Y446 E451 E452 N453	C115-C449 WeakPolarHBondContact CA-SG 3.35Å; C115-C449 HydrophobicContact CB-CB 3.78Å; C115-C449 WeakPolarHBondContact CB-SG 3.42Å; C115-C449 WeakPolarHBondContact SG-CB 3.47Å; C115-C449 CovalentContact SG-SG 2.02Å; C115-C449 PolarHBondContact SG-SG 3.49Å; Q445-C449 WeakPolarHBondContact O-CB 3.42Å; Q445-C449 PolarHBondContact O-N 3.27Å; Y446-C449 PolarHBondContact O-N 3.36Å; Y446-C449 VanDerWaalsContact O-N 3.15Å; C449-E451 VanDerWaalsContact C-N 3.35Å; C449-E451 PolarHBondContact O-N 3.44Å; C449-E452 PolarHBondContact O-N 3.1Å; C449-N453 WeakPolarHBondContact O-CB 3.45Å; C449-N453 VanDerWaalsContact O-CG 3.23Å; C449-N453 PolarHBondContact O-N 3.32Å
450	I	95.8	Very high	91	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-59.8	-46.2	173.3	-68.5	163.8	0	0	0	110.3	I412 V414 L425 F430 Y446 A447 R448 E452 N453 L454 I467 F469	I412-I450 HydrophobicContact CD1-CD1 4Å; I412-I450 HydrophobicContact CG2-CD1 4.35Å; V414-I450 HydrophobicContact CG2-CG2 4.49Å; L425-I450 HydrophobicContact CD2-CD1 3.99Å; L425-I450 HydrophobicContact CD2-CG1 4.07Å; L425-I450 HydrophobicContact CD2-CG2 3.85Å; F430-I450 HydrophobicContact CD2-CG1 4.03Å; F430-I450 HydrophobicContact CE2-CG1 4.42Å; Y446-I450 HydrophobicContact CD1-CD1 3.78Å; Y446-I450 HydrophobicContact CD2-CD1 4.42Å; Y446-I450 HydrophobicContact CD2-CG1 4.37Å; Y446-I450 HydrophobicContact CE1-CD1 3.67Å; Y446-I450 HydrophobicContact CE1-CG1 4.37Å; Y446-I450 HydrophobicContact CE2-CD1 4.3Å; Y446-I450 HydrophobicContact CE2-CG1 4.13Å; Y446-I450 HydrophobicContact CG-CD1 4.13Å; Y446-I450 WeakPolarHBondContact O-CG1 3.19Å; Y446-I450 PolarHBondContact O-N 3.06Å; A447-I450 PolarHBondContact O-N 3.19Å; R448-I450 VanDerWaalsContact C-N 3.34Å; I450-E452 PolarHBondContact O-N 2.75Å; I450-N453 PolarHBondContact O-N 3.42Å; I450-L454 HydrophobicContact CG2-CD1 3.67Å; I450-L454 HydrophobicContact CG2-CG 4.03Å; I450-L454 WeakPolarHBondContact O-CB 3.36Å; I450-L454 VanDerWaalsContact O-CG 3.24Å; I450-L454 WeakPolarHBondContact O-CG 3.22Å; I450-L454 PolarHBondContact O-N 3.3Å; I450-I467 HydrophobicContact CB-CD1 4.05Å; I450-I467 HydrophobicContact CG2-CD1 3.79Å; I450-F469 HydrophobicContact CD1-CE1 4.21Å; I450-F469 HydrophobicContact CD1-CZ 4.19Å
451	E	95.1	Very high	90.3	Very high	56 Å²	56	52.7 Å²	52.7	26%	0.262	26%	0.257	S	S	.	.	H	α-helix	trans	-57.1	-49.8	176.3	176.2	-177.5	-140.8	0	0	111.9	A447 R448 C449 N453 L454 Q455 I465 L491	A447-E451 PolarHBondContact O-N 3.07Å; R448-E451 WeakPolarHBondContact O-CB 3.3Å; R448-E451 PolarHBondContact O-N 3.41Å; C449-E451 VanDerWaalsContact C-N 3.35Å; C449-E451 PolarHBondContact O-N 3.44Å; E451-N453 PolarHBondContact O-N 2.82Å; E451-L454 PolarHBondContact O-N 2.87Å; E451-Q455 VanDerWaalsContact CG-NE2 3.34Å; E451-Q455 WeakPolarHBondContact O-CB 3.47Å; E451-Q455 VanDerWaalsContact O-CG 3.25Å; E451-Q455 WeakPolarHBondContact O-CG 3.34Å; E451-Q455 PolarHBondContact O-N 3.34Å; E451-Q455 VanDerWaalsContact O-N 3.08Å; E451-I465 HydrophobicContact CB-CD1 4.1Å; E451-I465 HydrophobicContact CG-CD1 4.14Å; E451-L491 HydrophobicContact CB-CD1 4.33Å; E451-L491 HydrophobicContact CB-CD2 3.95Å; E451-L491 HydrophobicContact CG-CD1 4.49Å
452	E	93.1	Very high	89.5	Confident	103 Å²	103	53.4 Å²	53.4	48%	0.481	27%	0.265	S	S	.	.	H	α-helix	trans	-58.6	-46.6	177.6	-70.9	179.9	-166.7	0	0	111.3	R124 R448 C449 I450 Q455 E456	R124-E452 IonicContact NH2-OE2 3.76Å; R448-E452 WeakPolarHBondContact O-CG 3.35Å; R448-E452 PolarHBondContact O-N 3.21Å; C449-E452 PolarHBondContact O-N 3.1Å; I450-E452 PolarHBondContact O-N 2.75Å; E452-Q455 PolarHBondContact O-N 3.11Å; E452-E456 PolarHBondContact O-N 2.9Å
453	N	93.8	Very high	89	Confident	11 Å²	11	63.3 Å²	63.3	6%	0.059	30%	0.303	C	S	.	.	H	α-helix	trans	-67	-39.6	-178.7	-74.5	-11.1	0	0	0	113.5	L113 F430 C449 I450 E451 E456 K457	L113-N453 HydrophobicContact CD1-CB 4.13Å; L113-N453 PolarHBondContact O-ND2 3.34Å; F430-N453 HydrophobicContact CD1-CB 4.22Å; F430-N453 WeakPolarHBondContact CD1-ND2 3.43Å; F430-N453 HydrophobicContact CD2-CB 4.44Å; F430-N453 HydrophobicContact CE1-CB 3.83Å; F430-N453 HydrophobicContact CE2-CB 4.06Å; F430-N453 WeakPolarHBondContact CG-ND2 3.31Å; F430-N453 HydrophobicContact CZ-CB 3.74Å; C449-N453 WeakPolarHBondContact O-CB 3.45Å; C449-N453 VanDerWaalsContact O-CG 3.23Å; C449-N453 PolarHBondContact O-N 3.32Å; I450-N453 PolarHBondContact O-N 3.42Å; E451-N453 PolarHBondContact O-N 2.82Å; N453-E456 PolarHBondContact O-N 3.42Å; N453-K457 PolarHBondContact O-N 3.27Å
454	L	92.3	Very high	88.8	Confident	10 Å²	10	66.5 Å²	66.5	5%	0.052	32%	0.32	C	S	.	.	H	α-helix	trans	-67.5	-39.9	177.5	-70.5	178.9	0	0	0	111	V414 I450 E451 E456 Q458 I461 I465	V414-L454 HydrophobicContact CG1-CD1 3.95Å; V414-L454 HydrophobicContact CG2-CD1 4.13Å; I450-L454 HydrophobicContact CG2-CD1 3.67Å; I450-L454 HydrophobicContact CG2-CG 4.03Å; I450-L454 WeakPolarHBondContact O-CB 3.36Å; I450-L454 VanDerWaalsContact O-CG 3.24Å; I450-L454 WeakPolarHBondContact O-CG 3.22Å; I450-L454 PolarHBondContact O-N 3.3Å; E451-L454 PolarHBondContact O-N 2.87Å; L454-E456 PolarHBondContact O-N 2.81Å; L454-Q458 CarbonylContact O-C 3.53Å; L454-Q458 WeakPolarHBondContact O-CA 3.34Å; L454-Q458 PolarHBondContact O-N 3.38Å; L454-I461 HydrophobicContact CD1-CD1 4.47Å; L454-I461 HydrophobicContact CD2-CD1 4.19Å; L454-I465 HydrophobicContact CD1-CD1 4.29Å
455	Q	88.4	Confident	88.8	Confident	101 Å²	101	66.6 Å²	66.6	47%	0.472	32%	0.32	S	S	.	.	H	α-helix	trans	-63.4	-29.9	175.4	-71.4	176.5	15.4	0	0	112.7	E451 E452	E451-Q455 VanDerWaalsContact CG-NE2 3.34Å; E451-Q455 WeakPolarHBondContact O-CB 3.47Å; E451-Q455 VanDerWaalsContact O-CG 3.25Å; E451-Q455 WeakPolarHBondContact O-CG 3.34Å; E451-Q455 PolarHBondContact O-N 3.34Å; E451-Q455 VanDerWaalsContact O-N 3.08Å; E452-Q455 PolarHBondContact O-N 3.11Å
456	E	87.1	Confident	88.8	Confident	137 Å²	137	65.4 Å²	65.4	64%	0.64	32%	0.315	S	S	*	.	H	α-helix	trans	-80.9	-48.3	177.5	-170.7	177.3	157.9	0	0	113.1	E452 N453 L454	E452-E456 PolarHBondContact O-N 2.9Å; N453-E456 PolarHBondContact O-N 3.42Å; L454-E456 PolarHBondContact O-N 2.81Å
457	K	83	Confident	88.9	Confident	124 Å²	124	65.4 Å²	65.4	54%	0.539	32%	0.315	S	S	.	.	H	α-helix	trans	-95.3	-22	-172.3	-84.2	-170.3	-176	163.7	0	115.3	E111 L113 N453	E111-K457 IonicContact OE1-NZ 3.89Å; E111-K457 PolarHBondContact OE1-NZ 3Å; L113-K457 HydrophobicContact CD1-CD 3.25Å; L113-K457 HydrophobicContact CD1-CG 3.74Å; L113-K457 HydrophobicContact CG-CD 4.35Å; N453-K457 PolarHBondContact O-N 3.27Å
458	Q	78.1	Confident	88.9	Confident	97 Å²	97	68.3 Å²	68.3	45%	0.453	33%	0.326	S	S	.	.			trans	-132.2	73.2	-173.9	-70	-172.8	-28.1	0	0	111.4	L454 D460 I461	L454-Q458 CarbonylContact O-C 3.53Å; L454-Q458 WeakPolarHBondContact O-CA 3.34Å; L454-Q458 PolarHBondContact O-N 3.38Å; Q458-D460 PolarHBondContact O-N 3.38Å; Q458-I461 HydrophobicContact CB-CD1 4.18Å; Q458-I461 HydrophobicContact CB-CG1 4.38Å; Q458-I461 PolarHBondContact O-N 2.92Å; Q458-I461 VanDerWaalsContact O-N 3.11Å; Q458-I461 VanDerWaalsContact OE1-CD1 3.24Å
459	P	71.5	Confident	89	Confident	106 Å²	106	63 Å²	63	69%	0.688	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-11.4	-178.9	28.1	-35.4	0	0	0	113.9	I461	P459-I461 VanDerWaalsContact C-N 3.31Å
460	D	76.5	Confident	89.1	Confident	161 Å²	161	63.4 Å²	63.4	86%	0.861	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-22.8	176.2	-61.9	-32	0	0	0	112.8	Q458	Q458-D460 PolarHBondContact O-N 3.38Å
461	I	79.9	Confident	89.1	Confident	28 Å²	28	63.4 Å²	63.4	14%	0.144	31%	0.307	C	S	.	.	S	Bend	trans	-79.1	128.1	172.5	-61.7	177.5	0	0	0	107.9	L454 Q458 P459 I465	L454-I461 HydrophobicContact CD1-CD1 4.47Å; L454-I461 HydrophobicContact CD2-CD1 4.19Å; Q458-I461 HydrophobicContact CB-CD1 4.18Å; Q458-I461 HydrophobicContact CB-CG1 4.38Å; Q458-I461 PolarHBondContact O-N 2.92Å; Q458-I461 VanDerWaalsContact O-N 3.11Å; Q458-I461 VanDerWaalsContact OE1-CD1 3.24Å; P459-I461 VanDerWaalsContact C-N 3.31Å; I461-I465 HydrophobicContact CG2-CG2 3.65Å
462	G	78.3	Confident	89.1	Confident	17 Å²	17	60.9 Å²	60.9	18%	0.175	30%	0.295	C	S	.	.			trans	-54	152.6	179.4	0	0	0	0	0	112.6	D416 N464 I465	D416-G462 PolarHBondContact OD2-N 2.87Å; G462-N464 PolarHBondContact O-N 2.97Å; G462-I465 VanDerWaalsContact O-CG2 3.27Å; G462-I465 WeakPolarHBondContact O-CG2 3.4Å
463	R	84.4	Confident	89.3	Confident	213 Å²	213	56 Å²	56	80%	0.804	27%	0.272	S	S	*	.	S	Bend	trans	-68.3	-24.3	178.9	-73.6	-176.2	175.2	152.8	-0	113.3	I465	R463-I465 PolarHBondContact O-N 3.43Å
464	N	92	Very high	89.3	Confident	67 Å²	67	56 Å²	56	36%	0.358	27%	0.273	S	S	.	.			trans	-95.3	83.9	-178.6	-177	11.4	0	0	0	110.4	N417 E418 G462 R492	N417-N464 VanDerWaalsContact CB-O 3.28Å; N417-N464 WeakPolarHBondContact CB-O 3.37Å; N417-N464 PolarHBondContact N-O 2.86Å; N417-N464 PolarHBondContact ND2-O 3.03Å; N417-N464 PolarHBondContact ND2-OD1 3.33Å; E418-N464 HydrophobicContact CG-CB 4.46Å; G462-N464 PolarHBondContact O-N 2.97Å; N464-R492 PolarHBondContact OD1-NH2 2.9Å
465	I	95.1	Very high	89.3	Confident	6 Å²	6	55.9 Å²	55.9	3%	0.031	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	163.6	177.2	60.9	173.2	0	0	0	112.5	V414 V415 N417 E451 L454 I461 G462 R463 I467 L491	V414-I465 HydrophobicContact CG1-CB 4.14Å; V414-I465 HydrophobicContact CG1-CD1 4.13Å; V414-I465 HydrophobicContact CG1-CG2 4.15Å; V415-I465 CarbonylContact O-C 3.39Å; V415-I465 VanDerWaalsContact O-CA 3.26Å; V415-I465 WeakPolarHBondContact O-CA 3.34Å; N417-I465 VanDerWaalsContact ND2-C 3.31Å; N417-I465 PolarHBondContact ND2-O 3.47Å; E451-I465 HydrophobicContact CB-CD1 4.1Å; E451-I465 HydrophobicContact CG-CD1 4.14Å; L454-I465 HydrophobicContact CD1-CD1 4.29Å; I461-I465 HydrophobicContact CG2-CG2 3.65Å; G462-I465 VanDerWaalsContact O-CG2 3.27Å; G462-I465 WeakPolarHBondContact O-CG2 3.4Å; R463-I465 PolarHBondContact O-N 3.43Å; I465-I467 HydrophobicContact CD1-CD1 4.03Å; I465-I467 HydrophobicContact CD1-CG1 4.21Å; I465-L491 HydrophobicContact CD1-CD1 4.14Å; I465-L491 HydrophobicContact CG1-CD1 3.73Å
466	S	97.1	Very high	89.5	Confident	2 Å²	2	51.4 Å²	51.4	1%	0.014	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	140	166.5	-51.4	0	0	0	0	108.1	V415 N417 D489 R492	V415-S466 PolarHBondContact N-O 2.97Å; V415-S466 PolarHBondContact O-N 2.93Å; N417-S466 VanDerWaalsContact CG-OG 3.3Å; N417-S466 PolarHBondContact ND2-OG 2.98Å; N417-S466 PolarHBondContact OD1-OG 2.95Å; S466-D489 WeakPolarHBondContact CA-OD1 3.47Å; S466-R492 PolarHBondContact OG-NH1 3.15Å
467	I	97.6	Very high	89.6	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	125.3	-175.5	-59	179.4	0	0	0	109.9	I412 Q413 V414 A447 I450 I465 F469 D489 L490 L491	I412-I467 HydrophobicContact CG2-CG2 4.07Å; Q413-I467 WeakPolarHBondContact O-CA 3.49Å; V414-I467 HydrophobicContact CG1-CG1 4.5Å; V414-I467 HydrophobicContact CG2-CG1 4.35Å; A447-I467 HydrophobicContact CB-CD1 4.46Å; A447-I467 HydrophobicContact CB-CG2 4.42Å; A447-I467 WeakPolarHBondContact O-CD1 3.36Å; I450-I467 HydrophobicContact CB-CD1 4.05Å; I450-I467 HydrophobicContact CG2-CD1 3.79Å; I465-I467 HydrophobicContact CD1-CD1 4.03Å; I465-I467 HydrophobicContact CD1-CG1 4.21Å; I467-F469 HydrophobicContact CG2-CD1 3.96Å; I467-F469 HydrophobicContact CG2-CE1 3.4Å; I467-F469 VanDerWaalsContact CG2-CE1 3.4Å; I467-F469 HydrophobicContact CG2-CZ 4.27Å; I467-D489 PolarHBondContact N-OD1 3.23Å; I467-L490 PolarHBondContact O-N 3.21Å; I467-L491 HydrophobicContact CB-CG 4.3Å; I467-L491 HydrophobicContact CD1-CD1 3.91Å; I467-L491 HydrophobicContact CD1-CD2 4.09Å; I467-L491 HydrophobicContact CD1-CG 4.01Å; I467-L491 HydrophobicContact CG1-CD1 3.85Å; I467-L491 HydrophobicContact CG1-CG 4.07Å
468	Y	97.8	Very high	90.1	Very high	60 Å²	60	42.9 Å²	42.9	24%	0.235	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	133.5	-178.8	-55.9	-84.7	0	0	0	110.4	Q413 V415 R487 E488 D489	Q413-Y468 PolarHBondContact N-O 2.87Å; Q413-Y468 PolarHBondContact O-N 3.07Å; V415-Y468 HydrophobicContact CB-CE2 4.26Å; V415-Y468 HydrophobicContact CG2-CD2 3.9Å; V415-Y468 HydrophobicContact CG2-CE2 3.69Å; Y468-R487 WeakPolarHBondContact CE1-O 3.28Å; Y468-E488 WeakPolarHBondContact CD1-O 3.34Å; Y468-D489 HydrophobicContact CE1-CB 3.96Å
469	F	97.4	Very high	90.9	Very high	3 Å²	3	38.7 Å²	38.7	1%	0.013	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	127.6	175.8	-65.2	-7.5	0	0	0	110.2	S411 I412 W436 A443 Y446 A447 I450 I467 I471 P486 L490	S411-F469 WeakPolarHBondContact O-CA 3.43Å; I412-F469 HydrophobicContact CB-CD1 4.22Å; I412-F469 HydrophobicContact CB-CE1 4.31Å; I412-F469 HydrophobicContact CD1-CD1 4.17Å; I412-F469 HydrophobicContact CD1-CE1 3.77Å; I412-F469 HydrophobicContact CD1-CZ 4.28Å; I412-F469 HydrophobicContact CG1-CD1 3.74Å; I412-F469 HydrophobicContact CG1-CE1 3.83Å; I412-F469 HydrophobicContact CG2-CD1 3.93Å; I412-F469 HydrophobicContact CG2-CE1 3.7Å; W436-F469 HydrophobicContact CE3-CD2 4.17Å; W436-F469 AromaticContact CE3-CE2 3.89Å; W436-F469 HydrophobicContact CE3-CE2 3.89Å; W436-F469 AromaticContact CZ3-CD2 3.57Å; W436-F469 HydrophobicContact CZ3-CD2 3.57Å; W436-F469 AromaticContact CZ3-CE2 3.55Å; W436-F469 HydrophobicContact CZ3-CE2 3.55Å; W436-F469 HydrophobicContact CZ3-CG 4.24Å; W436-F469 HydrophobicContact CZ3-CZ 4.18Å; A443-F469 HydrophobicContact CB-CD2 4.14Å; A443-F469 HydrophobicContact CB-CE2 4.04Å; A443-F469 WeakPolarHBondContact O-CE2 3.1Å; Y446-F469 HydrophobicContact CD1-CE2 4.25Å; Y446-F469 AromaticContact CD1-CZ 3.86Å; Y446-F469 HydrophobicContact CD1-CZ 3.86Å; Y446-F469 HydrophobicContact CG-CZ 4.5Å; A447-F469 HydrophobicContact CB-CZ 4.17Å; I450-F469 HydrophobicContact CD1-CE1 4.21Å; I450-F469 HydrophobicContact CD1-CZ 4.19Å; I467-F469 HydrophobicContact CG2-CD1 3.96Å; I467-F469 HydrophobicContact CG2-CE1 3.4Å; I467-F469 VanDerWaalsContact CG2-CE1 3.4Å; I467-F469 HydrophobicContact CG2-CZ 4.27Å; F469-I471 HydrophobicContact CB-CD1 4.03Å; F469-I471 HydrophobicContact CB-CG1 3.97Å; F469-I471 HydrophobicContact CD2-CD1 4.18Å; F469-I471 HydrophobicContact CG-CD1 4.47Å; F469-P486 WeakPolarHBondContact O-CA 3.43Å; F469-L490 HydrophobicContact CB-CD1 3.84Å; F469-L490 HydrophobicContact CD1-CD1 3.93Å; F469-L490 HydrophobicContact CD2-CD1 2.97Å; F469-L490 HydrophobicContact CD2-CG 4.46Å; F469-L490 HydrophobicContact CE1-CD1 4.21Å; F469-L490 HydrophobicContact CE2-CD1 3.32Å; F469-L490 HydrophobicContact CG-CD1 3.3Å; F469-L490 HydrophobicContact CZ-CD1 3.93Å
470	D	96.5	Very high	92.1	Very high	30 Å²	30	35 Å²	35	16%	0.16	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	110.1	166.7	-166.5	0.8	0	0	0	108.7	T410 S411 W472 R482 P486	T410-D470 CarbonylContact C-O 3.58Å; T410-D470 WeakPolarHBondContact CA-O 2.88Å; S411-D470 PolarHBondContact N-O 3.05Å; S411-D470 PolarHBondContact O-N 3.11Å; D470-W472 PolarHBondContact OD1-NE1 2.96Å; D470-W472 VanDerWaalsContact OD1-NE1 3.09Å; D470-R482 IonicContact OD1-CZ 2.91Å; D470-R482 IonicContact OD1-NE 2.71Å; D470-R482 PolarHBondContact OD1-NE 3.23Å; D470-R482 IonicContact OD1-NH2 3.87Å; D470-R482 IonicContact OD2-CZ 3.42Å; D470-R482 IonicContact OD2-NE 2.81Å; D470-R482 IonicContact OD2-NH2 3.87Å; D470-R482 PolarHBondContact OD2-NH2 2.79Å; D470-P486 HydrophobicContact CB-CB 4.02Å
471	I	96.4	Very high	93	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	118.7	-168.8	-50.4	-170.3	0	0	0	109.7	T407 T410 W436 T437 F469 R482 S483 F484	T407-I471 HydrophobicContact CG2-CG2 4.46Å; T410-I471 HydrophobicContact CG2-CD1 4.47Å; T410-I471 HydrophobicContact CG2-CG1 4.21Å; W436-I471 HydrophobicContact CE3-CD1 4.23Å; W436-I471 HydrophobicContact CH2-CD1 4.28Å; W436-I471 HydrophobicContact CZ3-CD1 3.6Å; T437-I471 HydrophobicContact CG2-CD1 4.12Å; T437-I471 HydrophobicContact CG2-CG2 4.29Å; F469-I471 HydrophobicContact CB-CD1 4.03Å; F469-I471 HydrophobicContact CB-CG1 3.97Å; F469-I471 HydrophobicContact CD2-CD1 4.18Å; F469-I471 HydrophobicContact CG-CD1 4.47Å; I471-R482 VanDerWaalsContact O-CA 3.25Å; I471-R482 WeakPolarHBondContact O-CA 3.17Å; I471-S483 PolarHBondContact O-N 2.99Å; I471-F484 HydrophobicContact CD1-CD2 3.71Å; I471-F484 HydrophobicContact CD1-CE2 3.83Å; I471-F484 HydrophobicContact CG1-CD2 4.39Å
472	W	95.9	Very high	93.8	Very high	3 Å²	3	26.3 Å²	26.3	1%	0.011	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	118.3	178.6	-65.1	81.8	0	0	0	110.7	L408 Q409 D470 R482 V537 D539 L545	L408-W472 PolarHBondContact N-O 3.21Å; L408-W472 VanDerWaalsContact N-O 3.17Å; Q409-W472 HydrophobicContact CB-CB 4.23Å; Q409-W472 HydrophobicContact CB-CG 4.43Å; Q409-W472 PolarHBondContact O-N 2.63Å; D470-W472 PolarHBondContact OD1-NE1 2.96Å; D470-W472 VanDerWaalsContact OD1-NE1 3.09Å; W472-R482 HydrophobicContact CD2-CG 4.02Å; W472-R482 HydrophobicContact CE3-CG 4.22Å; W472-R482 HydrophobicContact CH2-CG 4.07Å; W472-R482 HydrophobicContact CZ2-CG 3.85Å; W472-R482 HydrophobicContact CZ3-CG 4.22Å; W472-V537 HydrophobicContact CE3-CG1 4.07Å; W472-V537 HydrophobicContact CH2-CG1 3.85Å; W472-V537 HydrophobicContact CZ3-CG1 3.33Å; W472-D539 HydrophobicContact CH2-CB 3.91Å; W472-D539 HydrophobicContact CZ3-CB 4.36Å; W472-L545 HydrophobicContact CH2-CB 4.19Å; W472-L545 HydrophobicContact CH2-CD1 4.17Å; W472-L545 HydrophobicContact CZ2-CB 3.98Å; W472-L545 HydrophobicContact CZ2-CD1 3.48Å; W472-L545 VanDerWaalsContact CZ2-CD1 3.48Å; W472-L545 HydrophobicContact CZ2-CG 4.24Å
473	C	95.7	Very high	94.6	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.007	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	156.4	177.4	-62.2	0	0	0	0	110.9	W389 D406 Q480 Q481	W389-C473 HydrophobicContact CH2-CB 3.47Å; W389-C473 VanDerWaalsContact CH2-CB 3.47Å; W389-C473 WeakPolarHBondContact CH2-O 3.38Å; W389-C473 HydrophobicContact CZ2-CB 4.42Å; W389-C473 HydrophobicContact CZ3-CB 3.77Å; D406-C473 CarbonylContact O-C 3.57Å; D406-C473 WeakPolarHBondContact O-CA 3.1Å; C473-Q480 WeakPolarHBondContact O-CA 3.48Å; C473-Q481 PolarHBondContact N-O 2.86Å; C473-Q481 PolarHBondContact O-N 3.06Å
474	S	94.3	Very high	95.2	Very high	11 Å²	11	15.5 Å²	15.5	8%	0.077	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	150.7	162.7	-179.8	0	0	0	0	109.5	Y405 D406 R478	Y405-S474 WeakPolarHBondContact CA-O 3.35Å; D406-S474 PolarHBondContact N-O 3Å; D406-S474 PolarHBondContact O-N 3.38Å; S474-R478 PolarHBondContact OG-N 3.29Å; S474-R478 PolarHBondContact OG-O 3.45Å
475	M	93.3	Very high	95.4	Very high	6 Å²	6	13.2 Å²	13.2	3%	0.03	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	123.5	173.4	-174.5	-177.8	67	0	0	110.9	W389 T390 H403 S404 Y405 G477 R478 L507	W389-M475 HydrophobicContact CB-CE 4.41Å; W389-M475 HydrophobicContact CB-SD 4.39Å; W389-M475 HydrophobicContact CE3-CB 3.75Å; W389-M475 HydrophobicContact CE3-SD 4.46Å; W389-M475 HydrophobicContact CZ3-CB 3.88Å; T390-M475 HydrophobicContact CG2-SD 4.19Å; H403-M475 HydrophobicContact CB-SD 4.22Å; S404-M475 CarbonylContact O-C 3.29Å; S404-M475 VanDerWaalsContact O-CA 3.31Å; S404-M475 WeakPolarHBondContact O-CA 3.42Å; Y405-M475 HydrophobicContact CD1-CB 4.3Å; Y405-M475 HydrophobicContact CD1-CG 4.47Å; Y405-M475 HydrophobicContact CE1-CB 4.26Å; Y405-M475 HydrophobicContact CE1-CG 4.27Å; Y405-M475 HydrophobicContact CE1-SD 4.09Å; Y405-M475 HydrophobicContact CE2-CG 4.38Å; Y405-M475 HydrophobicContact CE2-SD 4.07Å; M475-G477 VanDerWaalsContact C-N 3.31Å; M475-G477 PolarHBondContact O-N 3.01Å; M475-R478 WeakPolarHBondContact O-CB 3.19Å; M475-R478 VanDerWaalsContact O-CG 3.29Å; M475-R478 WeakPolarHBondContact O-CG 3.48Å; M475-R478 PolarHBondContact O-N 3.2Å; M475-R478 PolarHBondContact O-NH1 3.15Å; M475-L507 HydrophobicContact CE-CD1 4.21Å; M475-L507 HydrophobicContact CE-CD2 3.32Å; M475-L507 HydrophobicContact CE-CG 4.39Å
476	N	92.1	Very high	95.5	Very high	8 Å²	8	14.1 Å²	14.1	4%	0.043	9%	0.085	C	C	.	.	S	Bend	trans	55.4	40.4	179.7	-63.7	-5.7	0	0	0	113	Y242 V402 H403 S404 R478 R515	Y242-N476 WeakPolarHBondContact O-CB 3.45Å; V402-N476 PolarHBondContact O-ND2 3.42Å; V402-N476 VanDerWaalsContact O-ND2 3.17Å; H403-N476 WeakPolarHBondContact CA-OD1 3.38Å; S404-N476 PolarHBondContact N-OD1 3.16Å; S404-N476 PolarHBondContact O-N 3.2Å; S404-N476 PolarHBondContact O-OD1 3.13Å; N476-R478 PolarHBondContact O-N 2.88Å; N476-R515 PolarHBondContact O-NH2 2.82Å
477	G	88.1	Confident	95.4	Very high	62 Å²	62	21 Å²	21	64%	0.639	11%	0.111	S	C	*	.	S	Bend	trans	68.4	31.6	179.1	0	0	0	0	0	114.1	M475	M475-G477 VanDerWaalsContact C-N 3.31Å; M475-G477 PolarHBondContact O-N 3.01Å
478	R	93.6	Very high	95.4	Very high	19 Å²	19	24.9 Å²	24.9	7%	0.072	13%	0.129	C	C	.	.			trans	-80	174.8	168.1	-78.4	178.6	171.6	79	4.7	110.8	E237 S474 M475 N476 Q480 N512	E237-R478 IonicContact OE1-CZ 2.65Å; E237-R478 IonicContact OE1-NH1 3.29Å; E237-R478 IonicContact OE1-NH2 2.78Å; E237-R478 PolarHBondContact OE1-NH2 3.01Å; E237-R478 IonicContact OE2-CZ 3.45Å; E237-R478 VanDerWaalsContact OE2-CZ 3.29Å; E237-R478 IonicContact OE2-NH1 3.66Å; E237-R478 PolarHBondContact OE2-NH1 2.85Å; E237-R478 IonicContact OE2-NH2 3.61Å; E237-R478 PolarHBondContact OE2-NH2 3.33Å; E237-R478 VanDerWaalsContact OE2-NH2 3.12Å; S474-R478 PolarHBondContact OG-N 3.29Å; S474-R478 PolarHBondContact OG-O 3.45Å; M475-R478 WeakPolarHBondContact O-CB 3.19Å; M475-R478 VanDerWaalsContact O-CG 3.29Å; M475-R478 WeakPolarHBondContact O-CG 3.48Å; M475-R478 PolarHBondContact O-N 3.2Å; M475-R478 PolarHBondContact O-NH1 3.15Å; N476-R478 PolarHBondContact O-N 2.88Å; R478-Q480 PolarHBondContact O-N 2.83Å; R478-N512 PolarHBondContact NE-OD1 2.95Å; R478-N512 PolarHBondContact NH2-ND2 2.63Å; R478-N512 PolarHBondContact NH2-OD1 3.44Å
479	F	95.9	Very high	95.4	Very high	9 Å²	9	22.8 Å²	22.8	4%	0.039	12%	0.122	C	C	.	.			trans	-48.9	141.1	161.8	-70.7	-77.9	0	0	0	111.1	L511 M514 L518 F536 A538 L561	F479-L511 HydrophobicContact CD2-CB 3.92Å; F479-L511 HydrophobicContact CD2-CD1 4.07Å; F479-L511 HydrophobicContact CE2-CB 3.88Å; F479-L511 HydrophobicContact CE2-CD1 4.27Å; F479-M514 HydrophobicContact CE2-CB 3.87Å; F479-M514 HydrophobicContact CE2-CG 4.48Å; F479-M514 HydrophobicContact CZ-CB 4.12Å; F479-L518 HydrophobicContact CD1-CD1 4.36Å; F479-L518 HydrophobicContact CD2-CD1 4.08Å; F479-L518 HydrophobicContact CE1-CD1 4.18Å; F479-L518 HydrophobicContact CE1-CD2 3.66Å; F479-L518 HydrophobicContact CE2-CD1 3.91Å; F479-L518 HydrophobicContact CE2-CD2 4.15Å; F479-L518 HydrophobicContact CE2-CG 4.49Å; F479-L518 HydrophobicContact CG-CD1 4.31Å; F479-L518 HydrophobicContact CZ-CD1 3.98Å; F479-L518 HydrophobicContact CZ-CD2 3.45Å; F479-L518 VanDerWaalsContact CZ-CD2 3.45Å; F479-L518 HydrophobicContact CZ-CG 4.24Å; F479-F536 HydrophobicContact CD1-CB 3.66Å; F479-F536 HydrophobicContact CE1-CB 3.95Å; F479-F536 HydrophobicContact CE1-CD1 4.49Å; F479-A538 HydrophobicContact CB-CB 3.57Å; F479-A538 HydrophobicContact CD1-CB 4.24Å; F479-A538 HydrophobicContact CD2-CB 4.37Å; F479-A538 HydrophobicContact CG-CB 3.83Å; F479-L561 HydrophobicContact CE1-CD1 3.82Å; F479-L561 HydrophobicContact CZ-CD1 4.03Å
480	Q	95.5	Very high	95.4	Very high	30 Å²	30	22.8 Å²	22.8	14%	0.14	12%	0.122	C	C	.	.	B	Isolated β-bridge	trans	-69.1	128.9	166.3	-56.5	177.6	5.7	0	0	108.2	L408 C473 R478 I535 F536 V537 A538	L408-Q480 HydrophobicContact CD1-CB 4.37Å; L408-Q480 HydrophobicContact CD1-CG 3.48Å; L408-Q480 VanDerWaalsContact CD1-CG 3.48Å; C473-Q480 WeakPolarHBondContact O-CA 3.48Å; R478-Q480 PolarHBondContact O-N 2.83Å; Q480-I535 VanDerWaalsContact OE1-CG2 3.3Å; Q480-F536 WeakPolarHBondContact CB-O 3.5Å; Q480-F536 WeakPolarHBondContact CG-O 3.44Å; Q480-F536 PolarHBondContact N-O 3.49Å; Q480-V537 CarbonylContact O-C 3.59Å; Q480-V537 WeakPolarHBondContact O-CA 3.5Å; Q480-A538 PolarHBondContact O-N 3.48Å
481	Q	96.4	Very high	95.4	Very high	3 Å²	3	22.7 Å²	22.7	1%	0.014	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	163.1	-178.6	57.9	163	79.2	0	0	110.6	W389 C473 P506 L508 A538	W389-Q481 HydrophobicContact CH2-CG 3.73Å; W389-Q481 HydrophobicContact CZ2-CG 3.62Å; W389-Q481 VanDerWaalsContact CZ2-NE2 3.35Å; C473-Q481 PolarHBondContact N-O 2.86Å; C473-Q481 PolarHBondContact O-N 3.06Å; Q481-P506 PolarHBondContact NE2-O 3.47Å; Q481-L508 HydrophobicContact CB-CD1 4.3Å; Q481-L508 VanDerWaalsContact OE1-CG 3.22Å; Q481-A538 WeakPolarHBondContact CA-O 3.23Å; Q481-A538 WeakPolarHBondContact CB-O 3.39Å
482	R	96.1	Very high	95.3	Very high	3 Å²	3	29.5 Å²	29.5	1%	0.011	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	137.4	178.5	-70.1	-178.2	166.3	117	-5.9	112.7	D470 I471 W472 L505 D539 F540 T544	D470-R482 IonicContact OD1-CZ 2.91Å; D470-R482 IonicContact OD1-NE 2.71Å; D470-R482 PolarHBondContact OD1-NE 3.23Å; D470-R482 IonicContact OD1-NH2 3.87Å; D470-R482 IonicContact OD2-CZ 3.42Å; D470-R482 IonicContact OD2-NE 2.81Å; D470-R482 IonicContact OD2-NH2 3.87Å; D470-R482 PolarHBondContact OD2-NH2 2.79Å; I471-R482 VanDerWaalsContact O-CA 3.25Å; I471-R482 WeakPolarHBondContact O-CA 3.17Å; W472-R482 HydrophobicContact CD2-CG 4.02Å; W472-R482 HydrophobicContact CE3-CG 4.22Å; W472-R482 HydrophobicContact CH2-CG 4.07Å; W472-R482 HydrophobicContact CZ2-CG 3.85Å; W472-R482 HydrophobicContact CZ3-CG 4.22Å; R482-L505 HydrophobicContact CB-CD1 3.61Å; R482-D539 IonicContact CZ-OD1 3.72Å; R482-D539 IonicContact CZ-OD2 3.63Å; R482-D539 IonicContact NH1-OD1 2.93Å; R482-D539 PolarHBondContact NH1-OD1 2.64Å; R482-D539 IonicContact NH1-OD2 3.58Å; R482-D539 PolarHBondContact NH1-OD2 3.16Å; R482-F540 HydrophobicContact CB-CE2 4.38Å; R482-T544 PolarHBondContact NH2-O 2.75Å
483	S	95.4	Very high	95.3	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.007	15%	0.15	C	C	.	.	S	Bend	trans	-82.1	-38.5	173.4	-173	0	0	0	0	111.6	N388 T437 I471 L505	N388-S483 PolarHBondContact ND2-OG 3.27Å; T437-S483 WeakPolarHBondContact O-CB 3.47Å; T437-S483 PolarHBondContact O-OG 2.77Å; I471-S483 PolarHBondContact O-N 2.99Å; S483-L505 PolarHBondContact O-N 3.39Å
484	F	96.7	Very high	95.3	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.009	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-129.5	154.7	-178.5	-53.2	-51.6	0	0	0	111.3	T437 A440 A443 I471 P486 W503 L505	T437-F484 WeakPolarHBondContact O-CE2 3.22Å; A440-F484 HydrophobicContact CB-CE1 4.08Å; A443-F484 HydrophobicContact CB-CD2 4.26Å; A443-F484 HydrophobicContact CB-CE2 3.6Å; A443-F484 HydrophobicContact CB-CZ 3.88Å; I471-F484 HydrophobicContact CD1-CD2 3.71Å; I471-F484 HydrophobicContact CD1-CE2 3.83Å; I471-F484 HydrophobicContact CG1-CD2 4.39Å; F484-P486 WeakPolarHBondContact O-CD 3.22Å; F484-W503 WeakPolarHBondContact CA-O 3.47Å; F484-W503 HydrophobicContact CB-CE3 4.07Å; F484-W503 HydrophobicContact CB-CZ3 4.15Å; F484-W503 AromaticContact CD1-CE3 3.75Å; F484-W503 HydrophobicContact CD1-CE3 3.75Å; F484-W503 HydrophobicContact CD1-CH2 4.43Å; F484-W503 AromaticContact CD1-CZ3 3.35Å; F484-W503 HydrophobicContact CD1-CZ3 3.35Å; F484-W503 HydrophobicContact CD2-CZ3 4.34Å; F484-W503 HydrophobicContact CE1-CH2 4.48Å; F484-W503 AromaticContact CE1-CZ3 3.77Å; F484-W503 HydrophobicContact CE1-CZ3 3.77Å; F484-W503 HydrophobicContact CG-CE3 4.07Å; F484-W503 AromaticContact CG-CZ3 3.69Å; F484-W503 HydrophobicContact CG-CZ3 3.69Å; F484-W503 HydrophobicContact CZ-CZ3 4.42Å; F484-L505 WeakPolarHBondContact O-CD1 3.25Å
485	D	96.8	Very high	95.3	Very high	19 Å²	19	40.9 Å²	40.9	10%	0.102	20%	0.195	C	C	.	.			trans	-69.9	116.1	172.9	-168	-29.8	0	0	0	110	R487 E488 W503 L505	D485-R487 PolarHBondContact O-N 3.1Å; D485-R487 VanDerWaalsContact O-N 3.11Å; D485-R487 WeakPolarHBondContact OD1-CB 3.41Å; D485-R487 WeakPolarHBondContact OD1-CG 3.37Å; D485-R487 IonicContact OD1-CZ 3.64Å; D485-R487 PolarHBondContact OD1-N 3.28Å; D485-R487 IonicContact OD1-NE 3.7Å; D485-R487 PolarHBondContact OD1-NE 3.3Å; D485-R487 IonicContact OD1-NH2 3.56Å; D485-R487 IonicContact OD2-CZ 2.71Å; D485-R487 IonicContact OD2-NE 3.49Å; D485-R487 PolarHBondContact OD2-NE 2.99Å; D485-R487 IonicContact OD2-NH2 3.93Å; D485-R487 PolarHBondContact OD2-NH2 3.28Å; D485-E488 HydrophobicContact CB-CG 3.94Å; D485-E488 PolarHBondContact O-N 3.39Å; D485-W503 PolarHBondContact N-O 3.5Å; D485-L505 HydrophobicContact CB-CD2 4.34Å; D485-L505 HydrophobicContact CB-CG 4.44Å
486	P	96.7	Very high	95.4	Very high	25 Å²	25	42.1 Å²	42.1	16%	0.162	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-4.8	-174.4	32.4	-38	0	0	0	113.2	F469 D470 F484 L543	F469-P486 WeakPolarHBondContact O-CA 3.43Å; D470-P486 HydrophobicContact CB-CB 4.02Å; F484-P486 WeakPolarHBondContact O-CD 3.22Å; P486-L543 HydrophobicContact CG-CD1 4.47Å; P486-L543 HydrophobicContact CG-CD2 4.25Å
487	R	95.9	Very high	95.4	Very high	146 Å²	146	43.6 Å²	43.6	55%	0.551	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91	-9.9	178.4	-56.5	171	-64.6	-175	3.2	112.7	Y468 D485 L543	Y468-R487 WeakPolarHBondContact CE1-O 3.28Å; D485-R487 PolarHBondContact O-N 3.1Å; D485-R487 VanDerWaalsContact O-N 3.11Å; D485-R487 WeakPolarHBondContact OD1-CB 3.41Å; D485-R487 WeakPolarHBondContact OD1-CG 3.37Å; D485-R487 IonicContact OD1-CZ 3.64Å; D485-R487 PolarHBondContact OD1-N 3.28Å; D485-R487 IonicContact OD1-NE 3.7Å; D485-R487 PolarHBondContact OD1-NE 3.3Å; D485-R487 IonicContact OD1-NH2 3.56Å; D485-R487 IonicContact OD2-CZ 2.71Å; D485-R487 IonicContact OD2-NE 3.49Å; D485-R487 PolarHBondContact OD2-NE 2.99Å; D485-R487 IonicContact OD2-NH2 3.93Å; D485-R487 PolarHBondContact OD2-NH2 3.28Å; R487-L543 HydrophobicContact CG-CD2 4.27Å
488	E	97.2	Very high	95.7	Very high	82 Å²	82	46.9 Å²	46.9	38%	0.383	21%	0.212	S	C	.	.	S	Bend	trans	-90	129.8	-176.6	-69	-73.5	171	0	0	110.5	Y468 D485 L490 W503	Y468-E488 WeakPolarHBondContact CD1-O 3.34Å; D485-E488 HydrophobicContact CB-CG 3.94Å; D485-E488 PolarHBondContact O-N 3.39Å; E488-L490 PolarHBondContact O-N 3.5Å; E488-W503 HydrophobicContact CB-CB 4.11Å; E488-W503 HydrophobicContact CG-CB 3.71Å
489	D	97.4	Very high	95.8	Very high	16 Å²	16	52.3 Å²	52.3	9%	0.086	24%	0.238	C	C	.	.			trans	-80.3	110.4	176	170.3	23	0	0	0	110.1	S466 I467 Y468 L491 R492 A493	S466-D489 WeakPolarHBondContact CA-OD1 3.47Å; I467-D489 PolarHBondContact N-OD1 3.23Å; Y468-D489 HydrophobicContact CE1-CB 3.96Å; D489-L491 PolarHBondContact O-N 3.43Å; D489-L491 PolarHBondContact OD1-N 3.29Å; D489-R492 CarbonylContact O-C 3.26Å; D489-R492 PolarHBondContact O-N 3.47Å; D489-R492 VanDerWaalsContact OD2-CD 3.23Å; D489-R492 WeakPolarHBondContact OD2-CD 3.12Å; D489-R492 VanDerWaalsContact OD2-CG 3.27Å; D489-R492 WeakPolarHBondContact OD2-CG 3.47Å; D489-R492 IonicContact OD2-CZ 3.12Å; D489-R492 IonicContact OD2-NE 3Å; D489-R492 IonicContact OD2-NH1 2.7Å; D489-R492 PolarHBondContact OD2-NH1 3.33Å; D489-A493 WeakPolarHBondContact O-CB 3.36Å; D489-A493 PolarHBondContact O-N 2.85Å
490	L	97	Very high	95.7	Very high	2 Å²	2	56.4 Å²	56.4	1%	0.01	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-15.4	-172.3	-68.4	-178.6	0	0	0	114.5	A443 A447 I467 F469 E488 R492 A493 W503	A443-L490 HydrophobicContact CB-CD1 4.29Å; A447-L490 HydrophobicContact CB-CB 3.71Å; I467-L490 PolarHBondContact O-N 3.21Å; F469-L490 HydrophobicContact CB-CD1 3.84Å; F469-L490 HydrophobicContact CD1-CD1 3.93Å; F469-L490 HydrophobicContact CD2-CD1 2.97Å; F469-L490 HydrophobicContact CD2-CG 4.46Å; F469-L490 HydrophobicContact CE1-CD1 4.21Å; F469-L490 HydrophobicContact CE2-CD1 3.32Å; F469-L490 HydrophobicContact CG-CD1 3.3Å; F469-L490 HydrophobicContact CZ-CD1 3.93Å; E488-L490 PolarHBondContact O-N 3.5Å; L490-R492 VanDerWaalsContact C-N 3.3Å; L490-A493 HydrophobicContact CD2-CB 4.09Å; L490-W503 HydrophobicContact CD2-CD2 4.2Å; L490-W503 HydrophobicContact CD2-CE3 3.79Å; L490-W503 HydrophobicContact CD2-CH2 3.68Å; L490-W503 HydrophobicContact CD2-CZ2 4.12Å; L490-W503 HydrophobicContact CD2-CZ3 3.5Å
491	L	96.2	Very high	95.7	Very high	28 Å²	28	55.8 Å²	55.8	15%	0.147	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-30.2	170.3	-68.1	179.8	0	0	0	111.9	A447 R448 E451 I465 I467 D489	A447-L491 HydrophobicContact CB-CD2 3.97Å; A447-L491 WeakPolarHBondContact O-CD2 3.4Å; R448-L491 HydrophobicContact CG-CD2 4.37Å; E451-L491 HydrophobicContact CB-CD1 4.33Å; E451-L491 HydrophobicContact CB-CD2 3.95Å; E451-L491 HydrophobicContact CG-CD1 4.49Å; I465-L491 HydrophobicContact CD1-CD1 4.14Å; I465-L491 HydrophobicContact CG1-CD1 3.73Å; I467-L491 HydrophobicContact CB-CG 4.3Å; I467-L491 HydrophobicContact CD1-CD1 3.91Å; I467-L491 HydrophobicContact CD1-CD2 4.09Å; I467-L491 HydrophobicContact CD1-CG 4.01Å; I467-L491 HydrophobicContact CG1-CD1 3.85Å; I467-L491 HydrophobicContact CG1-CG 4.07Å; D489-L491 PolarHBondContact O-N 3.43Å; D489-L491 PolarHBondContact OD1-N 3.29Å
492	R	95.8	Very high	95.6	Very high	144 Å²	144	61 Å²	61	54%	0.543	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.1	-12.3	-177	-62.3	180	-177.2	107.6	-0.1	113.1	N464 S466 D489 L490 K494	N464-R492 PolarHBondContact OD1-NH2 2.9Å; S466-R492 PolarHBondContact OG-NH1 3.15Å; D489-R492 CarbonylContact O-C 3.26Å; D489-R492 PolarHBondContact O-N 3.47Å; D489-R492 VanDerWaalsContact OD2-CD 3.23Å; D489-R492 WeakPolarHBondContact OD2-CD 3.12Å; D489-R492 VanDerWaalsContact OD2-CG 3.27Å; D489-R492 WeakPolarHBondContact OD2-CG 3.47Å; D489-R492 IonicContact OD2-CZ 3.12Å; D489-R492 IonicContact OD2-NE 3Å; D489-R492 IonicContact OD2-NH1 2.7Å; D489-R492 PolarHBondContact OD2-NH1 3.33Å; L490-R492 VanDerWaalsContact C-N 3.3Å; R492-K494 PolarHBondContact O-N 2.92Å
493	A	95.8	Very high	95.6	Very high	10 Å²	10	61 Å²	61	8%	0.083	30%	0.302	C	S	.	.			trans	-58.8	129.6	179.6	0	0	0	0	0	111.4	D489 L490 W503	D489-A493 WeakPolarHBondContact O-CB 3.36Å; D489-A493 PolarHBondContact O-N 2.85Å; L490-A493 HydrophobicContact CD2-CB 4.09Å; A493-W503 HydrophobicContact CB-CD2 4.46Å; A493-W503 HydrophobicContact CB-CZ2 4.35Å
494	K	94.8	Very high	95.6	Very high	185 Å²	185	61.7 Å²	61.7	80%	0.804	31%	0.307	S	S	*	.			trans	-75	131	178.3	-66.4	-177.1	-178	178.2	0	109.8	R492 W503	R492-K494 PolarHBondContact O-N 2.92Å; K494-W503 PolarHBondContact O-NE1 2.91Å
495	W	94.9	Very high	95.6	Very high	58 Å²	58	62.5 Å²	62.5	22%	0.22	31%	0.312	C	S	.	.			trans	-142.2	139.6	171.9	-178.1	86.6	0	0	0	110.4	G385 Y386 D441 V444 P497	G385-W495 PolarHBondContact O-NE1 3.49Å; Y386-W495 AromaticContact CD1-CZ2 3.97Å; Y386-W495 HydrophobicContact CD1-CZ2 3.97Å; Y386-W495 AromaticContact CE1-CH2 3.78Å; Y386-W495 HydrophobicContact CE1-CH2 3.78Å; Y386-W495 AromaticContact CE1-CZ2 3.67Å; Y386-W495 HydrophobicContact CE1-CZ2 3.67Å; Y386-W495 AromaticContact CZ-CH2 3.85Å; D441-W495 HydrophobicContact CB-CD2 4.05Å; D441-W495 HydrophobicContact CB-CE3 4.47Å; D441-W495 HydrophobicContact CB-CH2 3.69Å; D441-W495 HydrophobicContact CB-CZ2 3.21Å; D441-W495 HydrophobicContact CB-CZ3 4.3Å; V444-W495 HydrophobicContact CG2-CB 4.12Å; W495-P497 HydrophobicContact CH2-CB 4.33Å; W495-P497 HydrophobicContact CH2-CG 3.73Å; W495-P497 HydrophobicContact CZ3-CG 4Å
496	S	94.4	Very high	95.5	Very high	33 Å²	33	65.7 Å²	65.7	23%	0.231	33%	0.333	C	S	.	.			trans	-148	142	177.7	169	0	0	0	0	109.4	G385 F498 E499	G385-S496 VanDerWaalsContact CA-O 3.25Å; G385-S496 WeakPolarHBondContact CA-O 3.48Å; S496-F498 PolarHBondContact O-N 3.5Å; S496-F498 PolarHBondContact OG-N 2.92Å; S496-E499 PolarHBondContact O-N 3.41Å
497	P	93.2	Very high	95.4	Very high	39 Å²	39	65.5 Å²	65.5	25%	0.253	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-29.1	178.2	-25.5	33.1	0	0	0	114.2	T383 K384 G385 Y386 W495	T383-P497 CarbonylContact C-O 3.56Å; T383-P497 WeakPolarHBondContact CA-O 3.43Å; K384-P497 PolarHBondContact N-O 3.32Å; K384-P497 VanDerWaalsContact N-O 3.12Å; G385-P497 PolarHBondContact N-O 3.49Å; Y386-P497 HydrophobicContact CE2-CB 3.94Å; W495-P497 HydrophobicContact CH2-CB 4.33Å; W495-P497 HydrophobicContact CH2-CG 3.73Å; W495-P497 HydrophobicContact CZ3-CG 4Å
498	F	95.1	Very high	95.4	Very high	131 Å²	131	59.1 Å²	59.1	58%	0.575	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.6	-7.2	-170	-55.7	-70.7	0	0	0	114.4	I382 S496	I382-F498 HydrophobicContact CG2-CD1 4.02Å; I382-F498 HydrophobicContact CG2-CE1 4.05Å; I382-F498 WeakPolarHBondContact O-CD1 3.48Å; S496-F498 PolarHBondContact O-N 3.5Å; S496-F498 PolarHBondContact OG-N 2.92Å
499	E	94.8	Very high	95.2	Very high	133 Å²	133	59.5 Å²	59.5	62%	0.621	31%	0.312	S	S	*	.	S	Bend	trans	-114.6	149.2	-177.1	-63	-177.2	173.6	0	0	110.5	K384 G385 S496	K384-E499 CarbonylContact C-O 3.57Å; G385-E499 WeakPolarHBondContact CA-O 3.2Å; G385-E499 PolarHBondContact N-O 3.19Å; S496-E499 PolarHBondContact O-N 3.41Å
500	S	94.2	Very high	94.9	Very high	94 Å²	94	64.2 Å²	64.2	66%	0.657	33%	0.334	S	S	*	.			trans	-72.4	135	175.7	52.8	0	0	0	0	110.9	S502	S500-S502 PolarHBondContact O-N 3.36Å
501	T	95.3	Very high	94.8	Very high	17 Å²	17	64.4 Å²	64.4	10%	0.104	33%	0.334	C	S	.	.			trans	-77.5	110.7	178.9	-51.2	0	0	0	0	111.1	A440 W503 S504	A440-T501 HydrophobicContact CB-CG2 3.79Å; T501-W503 VanDerWaalsContact C-N 3.31Å; T501-W503 HydrophobicContact CG2-CD2 3.54Å; T501-W503 HydrophobicContact CG2-CE3 4.21Å; T501-W503 HydrophobicContact CG2-CG 3.88Å; T501-W503 HydrophobicContact CG2-CH2 4.24Å; T501-W503 HydrophobicContact CG2-CZ2 3.55Å; T501-W503 PolarHBondContact O-N 2.96Å; T501-S504 PolarHBondContact O-N 3.26Å
502	S	94.8	Very high	94.5	Very high	112 Å²	112	65.1 Å²	65.1	78%	0.783	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-27.3	-175.2	57.2	0	0	0	0	114.6	S500	S500-S502 PolarHBondContact O-N 3.36Å
503	W	95.7	Very high	94.4	Very high	4 Å²	4	63.4 Å²	63.4	2%	0.015	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-2.5	-178.2	54.7	-95.2	0	0	0	113.1	A440 A443 V444 F484 D485 E488 L490 A493 K494 T501	A440-W503 HydrophobicContact CB-CH2 3.49Å; A440-W503 VanDerWaalsContact CB-CH2 3.49Å; A440-W503 HydrophobicContact CB-CZ2 3.86Å; A440-W503 HydrophobicContact CB-CZ3 4.05Å; A440-W503 WeakPolarHBondContact O-CH2 3.47Å; A443-W503 HydrophobicContact CB-CH2 4.28Å; A443-W503 HydrophobicContact CB-CZ3 4.49Å; V444-W503 HydrophobicContact CG2-CH2 3.85Å; V444-W503 HydrophobicContact CG2-CZ2 3.55Å; F484-W503 WeakPolarHBondContact CA-O 3.47Å; F484-W503 HydrophobicContact CB-CE3 4.07Å; F484-W503 HydrophobicContact CB-CZ3 4.15Å; F484-W503 AromaticContact CD1-CE3 3.75Å; F484-W503 HydrophobicContact CD1-CE3 3.75Å; F484-W503 HydrophobicContact CD1-CH2 4.43Å; F484-W503 AromaticContact CD1-CZ3 3.35Å; F484-W503 HydrophobicContact CD1-CZ3 3.35Å; F484-W503 HydrophobicContact CD2-CZ3 4.34Å; F484-W503 HydrophobicContact CE1-CH2 4.48Å; F484-W503 AromaticContact CE1-CZ3 3.77Å; F484-W503 HydrophobicContact CE1-CZ3 3.77Å; F484-W503 HydrophobicContact CG-CE3 4.07Å; F484-W503 AromaticContact CG-CZ3 3.69Å; F484-W503 HydrophobicContact CG-CZ3 3.69Å; F484-W503 HydrophobicContact CZ-CZ3 4.42Å; D485-W503 PolarHBondContact N-O 3.5Å; E488-W503 HydrophobicContact CB-CB 4.11Å; E488-W503 HydrophobicContact CG-CB 3.71Å; L490-W503 HydrophobicContact CD2-CD2 4.2Å; L490-W503 HydrophobicContact CD2-CE3 3.79Å; L490-W503 HydrophobicContact CD2-CH2 3.68Å; L490-W503 HydrophobicContact CD2-CZ2 4.12Å; L490-W503 HydrophobicContact CD2-CZ3 3.5Å; A493-W503 HydrophobicContact CB-CD2 4.46Å; A493-W503 HydrophobicContact CB-CZ2 4.35Å; K494-W503 PolarHBondContact O-NE1 2.91Å; T501-W503 VanDerWaalsContact C-N 3.31Å; T501-W503 HydrophobicContact CG2-CD2 3.54Å; T501-W503 HydrophobicContact CG2-CE3 4.21Å; T501-W503 HydrophobicContact CG2-CG 3.88Å; T501-W503 HydrophobicContact CG2-CH2 4.24Å; T501-W503 HydrophobicContact CG2-CZ2 3.55Å; T501-W503 PolarHBondContact O-N 2.96Å
504	S	95.9	Very high	94.2	Very high	16 Å²	16	63.5 Å²	63.5	11%	0.112	34%	0.335	C	S	.	.	B	Isolated β-bridge	trans	-81.2	114.9	169.4	-156.5	0	0	0	0	108.6	N388 T501	N388-S504 VanDerWaalsContact CG-OG 3.28Å; N388-S504 PolarHBondContact OD1-OG 3.39Å; T501-S504 PolarHBondContact O-N 3.26Å
505	L	95.8	Very high	94.1	Very high	19 Å²	19	55.2 Å²	55.2	10%	0.099	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-79.4	133	-172.2	-67.3	174.9	0	0	0	110.6	W389 R482 S483 F484 D485 F540 L543	W389-L505 PolarHBondContact NE1-O 3.17Å; R482-L505 HydrophobicContact CB-CD1 3.61Å; S483-L505 PolarHBondContact O-N 3.39Å; F484-L505 WeakPolarHBondContact O-CD1 3.25Å; D485-L505 HydrophobicContact CB-CD2 4.34Å; D485-L505 HydrophobicContact CB-CG 4.44Å; L505-F540 HydrophobicContact CB-CE1 4.26Å; L505-F540 HydrophobicContact CB-CE2 3.82Å; L505-F540 HydrophobicContact CB-CZ 3.67Å; L505-F540 HydrophobicContact CD1-CD2 3.7Å; L505-F540 HydrophobicContact CD1-CE2 3.7Å; L505-F540 HydrophobicContact CD1-CG 4.35Å; L505-F540 HydrophobicContact CD1-CZ 4.34Å; L505-F540 HydrophobicContact CD2-CD1 4.42Å; L505-F540 HydrophobicContact CD2-CE1 4.47Å; L505-F540 HydrophobicContact CD2-CG 4.46Å; L505-F540 HydrophobicContact CG-CD2 4.49Å; L505-F540 HydrophobicContact CG-CE2 4.25Å; L505-F540 HydrophobicContact CG-CZ 4.41Å; L505-L543 HydrophobicContact CD1-CD1 4.24Å
506	P	94.9	Very high	93.9	Very high	85 Å²	85	55.7 Å²	55.7	55%	0.552	31%	0.31	S	S	*	.	P	Polyproline II helix	trans	-71.3	153.8	-174.7	30	-35.6	0	0	0	111.9	Q481 L508 F540	Q481-P506 PolarHBondContact NE2-O 3.47Å; P506-L508 PolarHBondContact O-N 2.79Å; P506-F540 HydrophobicContact CG-CE1 4.19Å; P506-F540 WeakPolarHBondContact O-CZ 3Å
507	L	94.9	Very high	93.8	Very high	22 Å²	22	59.5 Å²	59.5	12%	0.115	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-62.7	128.2	170.4	-171.8	70.8	0	0	0	110.6	W389 M475 N509	W389-L507 HydrophobicContact CB-CB 4.28Å; W389-L507 HydrophobicContact CD2-CB 4.44Å; W389-L507 HydrophobicContact CD2-CD1 3.75Å; W389-L507 HydrophobicContact CE3-CD1 3.82Å; W389-L507 HydrophobicContact CG-CB 3.97Å; W389-L507 HydrophobicContact CG-CD1 4.11Å; W389-L507 HydrophobicContact CZ3-CD1 4.28Å; M475-L507 HydrophobicContact CE-CD1 4.21Å; M475-L507 HydrophobicContact CE-CD2 3.32Å; M475-L507 HydrophobicContact CE-CG 4.39Å; L507-N509 PolarHBondContact O-N 3.22Å
508	L	95.4	Very high	93.8	Very high	12 Å²	12	58 Å²	58	6%	0.063	31%	0.312	C	S	.	.			trans	-76.3	68.3	-176.9	-65.3	177	0	0	0	112.3	Q481 P506 E510 L511 A538 F540 P601	Q481-L508 HydrophobicContact CB-CD1 4.3Å; Q481-L508 VanDerWaalsContact OE1-CG 3.22Å; P506-L508 PolarHBondContact O-N 2.79Å; L508-E510 PolarHBondContact O-N 2.79Å; L508-L511 HydrophobicContact CB-CD1 4.29Å; L508-L511 HydrophobicContact CD1-CD1 4.23Å; L508-L511 PolarHBondContact O-N 3.26Å; L508-A538 HydrophobicContact CD1-CB 3.69Å; L508-F540 HydrophobicContact CD1-CE2 4.4Å; L508-F540 HydrophobicContact CD1-CZ 4.2Å; L508-F540 HydrophobicContact CD2-CD1 4.07Å; L508-F540 HydrophobicContact CD2-CE1 3.42Å; L508-F540 VanDerWaalsContact CD2-CE1 3.42Å; L508-F540 HydrophobicContact CD2-CZ 3.78Å; L508-F540 HydrophobicContact CG-CE1 4.05Å; L508-F540 HydrophobicContact CG-CZ 3.85Å; L508-P601 HydrophobicContact CD1-CB 4.05Å; L508-P601 HydrophobicContact CD1-CG 4.38Å; L508-P601 HydrophobicContact CD2-CB 4.19Å; L508-P601 HydrophobicContact CD2-CG 3.59Å
509	N	92.7	Very high	93.5	Very high	90 Å²	90	56.7 Å²	56.7	48%	0.481	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-63.9	-22.2	-177.6	-76.3	-48.4	0	0	0	114.2	L507 L511 N512	L507-N509 PolarHBondContact O-N 3.22Å; N509-L511 PolarHBondContact O-N 2.99Å; N509-N512 WeakPolarHBondContact CA-ND2 3.33Å; N509-N512 VanDerWaalsContact O-CB 3.24Å; N509-N512 WeakPolarHBondContact O-CB 3.16Å; N509-N512 PolarHBondContact O-N 3.37Å; N509-N512 VanDerWaalsContact O-N 3.12Å; N509-N512 PolarHBondContact O-ND2 2.93Å; N509-N512 PolarHBondContact OD1-ND2 2.75Å
510	E	92.4	Very high	93.4	Very high	115 Å²	115	54 Å²	54	54%	0.537	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-62.3	-25.6	175.9	56.7	-168.4	-120.1	0	0	113.3	L508 H513 P601	L508-E510 PolarHBondContact O-N 2.79Å; E510-H513 PolarHBondContact O-ND1 3.48Å; E510-P601 WeakPolarHBondContact OE1-CD 3.37Å; E510-P601 WeakPolarHBondContact OE1-CG 3.26Å
511	L	93.6	Very high	93.5	Very high	5 Å²	5	51.1 Å²	51.1	3%	0.026	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-88.6	0	177.3	-61.5	177	0	0	0	113.4	F479 L508 N509 H513 M514 A538	F479-L511 HydrophobicContact CD2-CB 3.92Å; F479-L511 HydrophobicContact CD2-CD1 4.07Å; F479-L511 HydrophobicContact CE2-CB 3.88Å; F479-L511 HydrophobicContact CE2-CD1 4.27Å; L508-L511 HydrophobicContact CB-CD1 4.29Å; L508-L511 HydrophobicContact CD1-CD1 4.23Å; L508-L511 PolarHBondContact O-N 3.26Å; N509-L511 PolarHBondContact O-N 2.99Å; L511-H513 PolarHBondContact O-N 3.46Å; L511-H513 VanDerWaalsContact O-N 3.09Å; L511-M514 WeakPolarHBondContact O-CB 3.47Å; L511-M514 PolarHBondContact O-N 3.45Å; L511-A538 HydrophobicContact CD1-CB 3.46Å; L511-A538 VanDerWaalsContact CD1-CB 3.46Å
512	N	91.3	Very high	93.3	Very high	43 Å²	43	54.3 Å²	54.3	23%	0.23	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-58.8	-27.9	-178	-75.3	-22.5	0	0	0	113	R478 N509 M514 R515	R478-N512 PolarHBondContact NE-OD1 2.95Å; R478-N512 PolarHBondContact NH2-ND2 2.63Å; R478-N512 PolarHBondContact NH2-OD1 3.44Å; N509-N512 WeakPolarHBondContact CA-ND2 3.33Å; N509-N512 VanDerWaalsContact O-CB 3.24Å; N509-N512 WeakPolarHBondContact O-CB 3.16Å; N509-N512 PolarHBondContact O-N 3.37Å; N509-N512 VanDerWaalsContact O-N 3.12Å; N509-N512 PolarHBondContact O-ND2 2.93Å; N509-N512 PolarHBondContact OD1-ND2 2.75Å; N512-M514 PolarHBondContact O-N 3.42Å; N512-R515 WeakPolarHBondContact O-CB 3.3Å; N512-R515 VanDerWaalsContact O-CG 3.29Å; N512-R515 WeakPolarHBondContact O-CG 3.41Å; N512-R515 PolarHBondContact O-N 3.34Å
513	H	92.2	Very high	93.1	Very high	109 Å²	109	53.4 Å²	53.4	51%	0.505	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-65.2	-18.3	178	76.8	-85.2	0	0	0	113.3	E510 L511 E562	E510-H513 PolarHBondContact O-ND1 3.48Å; L511-H513 PolarHBondContact O-N 3.46Å; L511-H513 VanDerWaalsContact O-N 3.09Å; H513-E562 IonicContact CE1-OE2 3.42Å; H513-E562 IonicContact NE2-OE2 2.87Å
514	M	92.6	Very high	93	Very high	12 Å²	12	58.5 Å²	58.5	6%	0.059	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-82.9	-15.1	178.2	-68.6	-65.8	-73.5	0	0	113.2	F479 L511 N512 K517 L518 L561	F479-M514 HydrophobicContact CE2-CB 3.87Å; F479-M514 HydrophobicContact CE2-CG 4.48Å; F479-M514 HydrophobicContact CZ-CB 4.12Å; L511-M514 WeakPolarHBondContact O-CB 3.47Å; L511-M514 PolarHBondContact O-N 3.45Å; N512-M514 PolarHBondContact O-N 3.42Å; M514-K517 HydrophobicContact CE-CD 3.86Å; M514-K517 WeakPolarHBondContact O-CA 3.43Å; M514-K517 VanDerWaalsContact O-CB 3.3Å; M514-K517 WeakPolarHBondContact O-CB 2.96Å; M514-K517 PolarHBondContact O-N 3.23Å; M514-K517 HydrophobicContact SD-CD 3.71Å; M514-L518 WeakPolarHBondContact O-CG 3.27Å; M514-L518 PolarHBondContact O-N 2.97Å; M514-L561 HydrophobicContact CE-CB 4.21Å
515	R	91.5	Very high	92.9	Very high	10 Å²	10	57.8 Å²	57.8	4%	0.038	30%	0.296	C	S	.	.	H	α-helix	trans	-54	-42.3	-173.8	-66.5	172.7	80.4	176.4	19.8	114.7	E237 Y242 N476 N512 K517 L518 R519	E237-R515 VanDerWaalsContact CD-NH1 3.28Å; E237-R515 IonicContact OE1-CZ 2.72Å; E237-R515 IonicContact OE1-NH1 3.96Å; E237-R515 PolarHBondContact OE1-NH1 2.87Å; E237-R515 IonicContact OE2-CZ 3.64Å; E237-R515 IonicContact OE2-NH1 3.51Å; E237-R515 PolarHBondContact OE2-NH1 2.9Å; E237-R515 IonicContact OE2-NH2 3.84Å; E237-R515 PolarHBondContact OE2-NH2 2.91Å; E237-R515 VanDerWaalsContact OE2-NH2 3.12Å; Y242-R515 HydrophobicContact CE1-CB 4.16Å; Y242-R515 VanDerWaalsContact CG-CZ 3.43Å; N476-R515 PolarHBondContact O-NH2 2.82Å; N512-R515 WeakPolarHBondContact O-CB 3.3Å; N512-R515 VanDerWaalsContact O-CG 3.29Å; N512-R515 WeakPolarHBondContact O-CG 3.41Å; N512-R515 PolarHBondContact O-N 3.34Å; R515-K517 VanDerWaalsContact C-N 3.27Å; R515-K517 PolarHBondContact O-N 3.15Å; R515-L518 PolarHBondContact O-N 3.02Å; R515-R519 PolarHBondContact O-N 3.08Å
516	P	91	Very high	92.6	Very high	69 Å²	69	60.7 Å²	60.7	45%	0.448	31%	0.311	S	S	.	.	H	α-helix	trans	-59.3	-39.6	173.7	-23.7	34.8	0	0	0	112.4	R519 T520	P516-R519 PolarHBondContact O-N 3.13Å; P516-T520 PolarHBondContact O-N 3.03Å; P516-T520 VanDerWaalsContact O-N 3.16Å; P516-T520 PolarHBondContact O-OG1 3.13Å; P516-T520 VanDerWaalsContact O-OG1 3.14Å
517	K	92.8	Very high	92.4	Very high	113 Å²	113	60.5 Å²	60.5	49%	0.491	32%	0.316	S	S	.	.	H	α-helix	trans	-67.9	-35.3	177.2	-59.5	-179.3	-173.8	168.1	0	112.1	M514 R515 T520 I521	M514-K517 HydrophobicContact CE-CD 3.86Å; M514-K517 WeakPolarHBondContact O-CA 3.43Å; M514-K517 VanDerWaalsContact O-CB 3.3Å; M514-K517 WeakPolarHBondContact O-CB 2.96Å; M514-K517 PolarHBondContact O-N 3.23Å; M514-K517 HydrophobicContact SD-CD 3.71Å; R515-K517 VanDerWaalsContact C-N 3.27Å; R515-K517 PolarHBondContact O-N 3.15Å; K517-T520 PolarHBondContact O-N 2.92Å; K517-I521 WeakPolarHBondContact O-CB 3.09Å; K517-I521 WeakPolarHBondContact O-CD1 3.41Å; K517-I521 VanDerWaalsContact O-CG1 3.23Å; K517-I521 WeakPolarHBondContact O-CG1 3.4Å; K517-I521 PolarHBondContact O-N 3.29Å
518	L	93.6	Very high	92.2	Very high	7 Å²	7	66.9 Å²	66.9	4%	0.037	34%	0.339	C	S	.	.	H	α-helix	trans	-59.5	-48.3	176.2	-53.8	-175.2	0	0	0	110.7	F479 M514 R515 T520 I521 E522 F536 L561	F479-L518 HydrophobicContact CD1-CD1 4.36Å; F479-L518 HydrophobicContact CD2-CD1 4.08Å; F479-L518 HydrophobicContact CE1-CD1 4.18Å; F479-L518 HydrophobicContact CE1-CD2 3.66Å; F479-L518 HydrophobicContact CE2-CD1 3.91Å; F479-L518 HydrophobicContact CE2-CD2 4.15Å; F479-L518 HydrophobicContact CE2-CG 4.49Å; F479-L518 HydrophobicContact CG-CD1 4.31Å; F479-L518 HydrophobicContact CZ-CD1 3.98Å; F479-L518 HydrophobicContact CZ-CD2 3.45Å; F479-L518 VanDerWaalsContact CZ-CD2 3.45Å; F479-L518 HydrophobicContact CZ-CG 4.24Å; M514-L518 WeakPolarHBondContact O-CG 3.27Å; M514-L518 PolarHBondContact O-N 2.97Å; R515-L518 PolarHBondContact O-N 3.02Å; L518-T520 VanDerWaalsContact C-N 3.33Å; L518-T520 PolarHBondContact O-N 2.84Å; L518-I521 PolarHBondContact O-N 2.98Å; L518-E522 VanDerWaalsContact O-CB 3.28Å; L518-E522 WeakPolarHBondContact O-CB 3.36Å; L518-E522 PolarHBondContact O-N 3.5Å; L518-F536 HydrophobicContact CB-CD2 4.38Å; L518-F536 HydrophobicContact CB-CE1 4.34Å; L518-F536 HydrophobicContact CB-CE2 4.19Å; L518-F536 HydrophobicContact CB-CZ 4.16Å; L518-F536 HydrophobicContact CD1-CG 4.47Å; L518-F536 HydrophobicContact CD2-CD1 3.55Å; L518-F536 HydrophobicContact CD2-CE1 3.8Å; L518-F536 HydrophobicContact CD2-CG 4.01Å; L518-F536 HydrophobicContact CD2-CZ 4.46Å; L518-F536 HydrophobicContact CG-CD1 4.47Å; L518-F536 WeakPolarHBondContact O-CZ 3.49Å; L518-L561 HydrophobicContact CD2-CD1 4.2Å
519	R	88.9	Confident	91.8	Very high	103 Å²	103	68.8 Å²	68.8	39%	0.389	35%	0.349	S	S	.	.	H	α-helix	trans	-59.7	-41.6	175.8	-73.5	-173	178.5	176.5	-2.1	112.5	G241 Y242 R515 P516 T523	G241-R519 PolarHBondContact O-NH2 3.37Å; Y242-R519 VanDerWaalsContact CD1-NH2 3.27Å; R515-R519 PolarHBondContact O-N 3.08Å; P516-R519 PolarHBondContact O-N 3.13Å; R519-T523 WeakPolarHBondContact O-CB 3.26Å; R519-T523 PolarHBondContact O-N 3.34Å; R519-T523 PolarHBondContact O-OG1 3.44Å
520	T	92.9	Very high	91.5	Very high	76 Å²	76	69.4 Å²	69.4	47%	0.466	35%	0.353	S	S	.	.	H	α-helix	trans	-62.4	-47.9	176.5	-55.6	0	0	0	0	111.3	P516 K517 L518 T523 E524	P516-T520 PolarHBondContact O-N 3.03Å; P516-T520 VanDerWaalsContact O-N 3.16Å; P516-T520 PolarHBondContact O-OG1 3.13Å; P516-T520 VanDerWaalsContact O-OG1 3.14Å; K517-T520 PolarHBondContact O-N 2.92Å; L518-T520 VanDerWaalsContact C-N 3.33Å; L518-T520 PolarHBondContact O-N 2.84Å; T520-T523 PolarHBondContact O-N 3.03Å; T520-E524 WeakPolarHBondContact O-CG 3.14Å; T520-E524 PolarHBondContact O-N 3.38Å
521	I	94.5	Very high	91.4	Very high	35 Å²	35	65.8 Å²	65.8	18%	0.179	33%	0.334	C	S	.	.	H	α-helix	trans	-63.4	-44.1	179	-66.6	162.4	0	0	0	110.8	K517 L518 T523 E524 V525 F536 L561 L605	K517-I521 WeakPolarHBondContact O-CB 3.09Å; K517-I521 WeakPolarHBondContact O-CD1 3.41Å; K517-I521 VanDerWaalsContact O-CG1 3.23Å; K517-I521 WeakPolarHBondContact O-CG1 3.4Å; K517-I521 PolarHBondContact O-N 3.29Å; L518-I521 PolarHBondContact O-N 2.98Å; I521-T523 VanDerWaalsContact C-N 3.34Å; I521-T523 PolarHBondContact O-N 3.41Å; I521-E524 PolarHBondContact O-N 3.25Å; I521-V525 HydrophobicContact CG2-CG2 4.13Å; I521-V525 WeakPolarHBondContact O-CB 3.39Å; I521-V525 VanDerWaalsContact O-CG2 3.28Å; I521-V525 WeakPolarHBondContact O-CG2 3.45Å; I521-V525 PolarHBondContact O-N 3.49Å; I521-F536 HydrophobicContact CB-CE1 4.12Å; I521-F536 HydrophobicContact CB-CZ 4.01Å; I521-F536 HydrophobicContact CD1-CE1 4.4Å; I521-F536 HydrophobicContact CG2-CE1 3.88Å; I521-F536 HydrophobicContact CG2-CZ 3.92Å; I521-L561 HydrophobicContact CD1-CD2 4.17Å; I521-L605 HydrophobicContact CD1-CD2 4.28Å; I521-L605 HydrophobicContact CG2-CD2 3.8Å
522	E	92.4	Very high	91.3	Very high	83 Å²	83	65.8 Å²	65.8	39%	0.388	33%	0.334	S	S	.	.	H	α-helix	trans	-56.5	-48.7	175.7	-175.3	178.2	-159.4	0	0	111.2	L518 E524 V525 L526 V534 F536	L518-E522 VanDerWaalsContact O-CB 3.28Å; L518-E522 WeakPolarHBondContact O-CB 3.36Å; L518-E522 PolarHBondContact O-N 3.5Å; E522-E524 VanDerWaalsContact C-N 3.34Å; E522-E524 PolarHBondContact O-N 3.04Å; E522-V525 PolarHBondContact O-N 3.4Å; E522-L526 HydrophobicContact CG-CD1 3.9Å; E522-L526 WeakPolarHBondContact O-CB 3.23Å; E522-L526 WeakPolarHBondContact O-CG 3.35Å; E522-L526 PolarHBondContact O-N 3Å; E522-V534 HydrophobicContact CB-CG1 4.08Å; E522-V534 HydrophobicContact CG-CG1 4.18Å; E522-F536 HydrophobicContact CB-CE2 4.11Å; E522-F536 HydrophobicContact CB-CZ 4.26Å
523	T	90.6	Very high	91.4	Very high	94 Å²	94	66.6 Å²	66.6	58%	0.577	34%	0.339	S	S	*	.	H	α-helix	trans	-61.2	-41.9	176.9	-52.7	0	0	0	0	112	R519 T520 I521 A527	R519-T523 WeakPolarHBondContact O-CB 3.26Å; R519-T523 PolarHBondContact O-N 3.34Å; R519-T523 PolarHBondContact O-OG1 3.44Å; T520-T523 PolarHBondContact O-N 3.03Å; I521-T523 VanDerWaalsContact C-N 3.34Å; I521-T523 PolarHBondContact O-N 3.41Å; T523-A527 WeakPolarHBondContact O-CB 3.05Å; T523-A527 PolarHBondContact O-N 2.89Å; T523-A527 VanDerWaalsContact O-N 3.1Å
524	E	93.7	Very high	91.5	Very high	110 Å²	110	61.9 Å²	61.9	51%	0.514	32%	0.318	S	S	.	.	H	α-helix	trans	-65.2	-44.8	177.7	-74.6	174.5	-172.5	0	0	112.1	T520 I521 E522 A527 W528	T520-E524 WeakPolarHBondContact O-CG 3.14Å; T520-E524 PolarHBondContact O-N 3.38Å; I521-E524 PolarHBondContact O-N 3.25Å; E522-E524 VanDerWaalsContact C-N 3.34Å; E522-E524 PolarHBondContact O-N 3.04Å; E524-A527 WeakPolarHBondContact O-CB 3.49Å; E524-A527 PolarHBondContact O-N 3.08Å; E524-W528 PolarHBondContact O-N 3.27Å; E524-W528 PolarHBondContact O-NE1 3.02Å
525	V	92.7	Very high	91.6	Very high	2 Å²	2	63.5 Å²	63.5	1%	0.012	33%	0.326	C	S	.	.	H	α-helix	trans	-66.3	-44.5	179.8	172.8	0	0	0	0	111	I521 E522 A527 W528 V534 T607	I521-V525 HydrophobicContact CG2-CG2 4.13Å; I521-V525 WeakPolarHBondContact O-CB 3.39Å; I521-V525 VanDerWaalsContact O-CG2 3.28Å; I521-V525 WeakPolarHBondContact O-CG2 3.45Å; I521-V525 PolarHBondContact O-N 3.49Å; E522-V525 PolarHBondContact O-N 3.4Å; V525-A527 PolarHBondContact O-N 2.88Å; V525-W528 HydrophobicContact CG1-CE3 4.14Å; V525-W528 HydrophobicContact CG1-CZ3 4.26Å; V525-W528 HydrophobicContact CG2-CE3 4.43Å; V525-W528 HydrophobicContact CG2-CH2 3.84Å; V525-W528 HydrophobicContact CG2-CZ2 3.94Å; V525-W528 HydrophobicContact CG2-CZ3 4.09Å; V525-W528 WeakPolarHBondContact O-CB 3.33Å; V525-W528 PolarHBondContact O-N 3.27Å; V525-V534 HydrophobicContact CB-CB 4.34Å; V525-V534 HydrophobicContact CB-CG1 4.33Å; V525-V534 HydrophobicContact CG1-CB 4.14Å; V525-V534 HydrophobicContact CG1-CG1 4.49Å; V525-V534 HydrophobicContact CG2-CB 4.28Å; V525-T607 HydrophobicContact CG1-CG2 4.44Å; V525-T607 HydrophobicContact CG2-CG2 3.99Å
526	L	89.5	Confident	91.8	Very high	79 Å²	79	64 Å²	64	41%	0.414	33%	0.329	S	S	.	.	H	α-helix	trans	-62.6	-26.7	175.5	-68.9	170.8	0	0	0	111.9	E522 S532	E522-L526 HydrophobicContact CG-CD1 3.9Å; E522-L526 WeakPolarHBondContact O-CB 3.23Å; E522-L526 WeakPolarHBondContact O-CG 3.35Å; E522-L526 PolarHBondContact O-N 3Å; L526-S532 WeakPolarHBondContact CD2-O 3.44Å
527	A	91.1	Very high	92.1	Very high	81 Å²	81	61 Å²	61	67%	0.669	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-13.3	175.4	0	0	0	0	0	114.1	T523 E524 V525	T523-A527 WeakPolarHBondContact O-CB 3.05Å; T523-A527 PolarHBondContact O-N 2.89Å; T523-A527 VanDerWaalsContact O-N 3.1Å; E524-A527 WeakPolarHBondContact O-CB 3.49Å; E524-A527 PolarHBondContact O-N 3.08Å; V525-A527 PolarHBondContact O-N 2.88Å
528	W	91	Very high	92.3	Very high	157 Å²	157	55.6 Å²	55.6	60%	0.595	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-44.5	178.2	-65.1	-8.1	0	0	0	111.9	E524 V525 T607	E524-W528 PolarHBondContact O-N 3.27Å; E524-W528 PolarHBondContact O-NE1 3.02Å; V525-W528 HydrophobicContact CG1-CE3 4.14Å; V525-W528 HydrophobicContact CG1-CZ3 4.26Å; V525-W528 HydrophobicContact CG2-CE3 4.43Å; V525-W528 HydrophobicContact CG2-CH2 3.84Å; V525-W528 HydrophobicContact CG2-CZ2 3.94Å; V525-W528 HydrophobicContact CG2-CZ3 4.09Å; V525-W528 WeakPolarHBondContact O-CB 3.33Å; V525-W528 PolarHBondContact O-N 3.27Å; W528-T607 HydrophobicContact CH2-CG2 4.15Å; W528-T607 HydrophobicContact CZ3-CG2 4.09Å
529	N	87.8	Confident	92.4	Very high	52 Å²	52	55.2 Å²	55.2	28%	0.278	28%	0.283	S	S	.	.			trans	-168.5	163.5	169.3	58.6	70.2	0	0	0	109.8	Y531 S532	N529-Y531 PolarHBondContact O-N 3.33Å; N529-Y531 WeakPolarHBondContact OD1-CA 3.42Å; N529-Y531 PolarHBondContact OD1-N 3.5Å; N529-S532 PolarHBondContact ND2-OG 3.34Å; N529-S532 PolarHBondContact O-N 2.99Å; N529-S532 PolarHBondContact OD1-N 2.95Å; N529-S532 PolarHBondContact OD1-OG 3.46Å
530	N	86.3	Confident	92.8	Very high	103 Å²	103	51.3 Å²	51.3	55%	0.551	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-2.3	-176.7	-62.1	-5.6	0	0	0	115.5	T619	N530-T619 HydrophobicContact CB-CG2 4.49Å
531	Y	89.3	Confident	92.9	Very high	39 Å²	39	49.9 Å²	49.9	15%	0.153	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.7	3.7	-174.5	-45.3	-77.1	0	0	0	112.3	N529 T609 N610 M613 L614 G617 I618	N529-Y531 PolarHBondContact O-N 3.33Å; N529-Y531 WeakPolarHBondContact OD1-CA 3.42Å; N529-Y531 PolarHBondContact OD1-N 3.5Å; Y531-T609 WeakPolarHBondContact O-CA 3.44Å; Y531-N610 PolarHBondContact O-N 2.97Å; Y531-M613 HydrophobicContact CD1-CB 3.54Å; Y531-M613 VanDerWaalsContact CE1-C 3.46Å; Y531-M613 HydrophobicContact CE1-CB 4.05Å; Y531-M613 WeakPolarHBondContact CE1-O 3.48Å; Y531-L614 HydrophobicContact CD1-CB 4.34Å; Y531-L614 HydrophobicContact CD2-CB 3.82Å; Y531-L614 HydrophobicContact CD2-CD1 3.7Å; Y531-L614 HydrophobicContact CD2-CG 4.01Å; Y531-L614 HydrophobicContact CE2-CB 4.16Å; Y531-L614 HydrophobicContact CE2-CD1 4.18Å; Y531-L614 HydrophobicContact CE2-CG 4.16Å; Y531-L614 HydrophobicContact CG-CB 3.89Å; Y531-L614 HydrophobicContact CG-CD1 4.41Å; Y531-G617 WeakPolarHBondContact OH-CA 3.42Å; Y531-I618 VanDerWaalsContact CE1-O 3.23Å; Y531-I618 WeakPolarHBondContact CE1-O 3.17Å
532	S	91.8	Very high	92.9	Very high	4 Å²	4	50.5 Å²	50.5	3%	0.028	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	143.1	178.1	-63.1	0	0	0	0	110.1	L526 N529 Y608 T609	L526-S532 WeakPolarHBondContact CD2-O 3.44Å; N529-S532 PolarHBondContact ND2-OG 3.34Å; N529-S532 PolarHBondContact O-N 2.99Å; N529-S532 PolarHBondContact OD1-N 2.95Å; N529-S532 PolarHBondContact OD1-OG 3.46Å; S532-Y608 VanDerWaalsContact CA-O 3.29Å; S532-Y608 WeakPolarHBondContact CA-O 3.38Å; S532-T609 PolarHBondContact OG-OG1 3.1Å; S532-T609 VanDerWaalsContact OG-OG1 3.09Å
533	D	92.9	Very high	93.1	Very high	60 Å²	60	46.8 Å²	46.8	32%	0.321	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	163.3	-177.3	-165.2	8.9	0	0	0	110	T607 Y608	D533-T607 WeakPolarHBondContact O-CA 3.49Å; D533-Y608 HydrophobicContact CB-CD2 4.42Å; D533-Y608 HydrophobicContact CB-CE1 4.38Å; D533-Y608 HydrophobicContact CB-CE2 3.7Å; D533-Y608 PolarHBondContact N-O 3.26Å; D533-Y608 PolarHBondContact O-N 2.9Å; D533-Y608 VanDerWaalsContact O-N 3.11Å; D533-Y608 PolarHBondContact OD2-OH 3.34Å
534	V	94.6	Very high	93.3	Very high	11 Å²	11	44.6 Å²	44.6	7%	0.067	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	133.7	-175.9	60.4	0	0	0	0	112	E522 V525 F536 L605 F606 T607	E522-V534 HydrophobicContact CB-CG1 4.08Å; E522-V534 HydrophobicContact CG-CG1 4.18Å; V525-V534 HydrophobicContact CB-CB 4.34Å; V525-V534 HydrophobicContact CB-CG1 4.33Å; V525-V534 HydrophobicContact CG1-CB 4.14Å; V525-V534 HydrophobicContact CG1-CG1 4.49Å; V525-V534 HydrophobicContact CG2-CB 4.28Å; V534-F536 HydrophobicContact CB-CE2 4.46Å; V534-F536 HydrophobicContact CB-CZ 4.34Å; V534-F536 HydrophobicContact CG1-CE2 3.62Å; V534-F536 HydrophobicContact CG1-CZ 3.66Å; V534-F536 HydrophobicContact CG2-CD1 4.23Å; V534-F536 HydrophobicContact CG2-CD2 4.48Å; V534-F536 HydrophobicContact CG2-CE1 3.77Å; V534-F536 HydrophobicContact CG2-CE2 4.04Å; V534-F536 HydrophobicContact CG2-CZ 3.67Å; V534-L605 HydrophobicContact CG2-CB 3.99Å; V534-L605 HydrophobicContact CG2-CD1 4.19Å; V534-L605 HydrophobicContact CG2-CD2 4.36Å; V534-L605 HydrophobicContact CG2-CG 4.43Å; V534-F606 CarbonylContact C-O 3.53Å; V534-F606 VanDerWaalsContact CA-O 3.31Å; V534-F606 WeakPolarHBondContact CA-O 3.27Å; V534-T607 HydrophobicContact CG2-CG2 4.29Å
535	I	93.9	Very high	93.4	Very high	46 Å²	46	39.6 Å²	39.6	24%	0.236	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	123.3	173.6	-68.5	172.7	0	0	0	108.8	Q480 V537 L605 F606 Y608	Q480-I535 VanDerWaalsContact OE1-CG2 3.3Å; I535-V537 HydrophobicContact CG2-CG2 3.79Å; I535-L605 CarbonylContact O-C 3.59Å; I535-L605 WeakPolarHBondContact O-CA 3.44Å; I535-F606 HydrophobicContact CB-CB 4.45Å; I535-F606 PolarHBondContact N-O 2.9Å; I535-F606 PolarHBondContact O-N 3.03Å; I535-Y608 HydrophobicContact CD1-CE1 3.69Å; I535-Y608 HydrophobicContact CG1-CE1 3.96Å
536	F	96.1	Very high	93.3	Very high	21 Å²	21	42.9 Å²	42.9	9%	0.092	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	122.4	177.2	-59.1	-76.4	0	0	0	110.7	F479 Q480 L518 I521 E522 V534 L561 L605	F479-F536 HydrophobicContact CD1-CB 3.66Å; F479-F536 HydrophobicContact CE1-CB 3.95Å; F479-F536 HydrophobicContact CE1-CD1 4.49Å; Q480-F536 WeakPolarHBondContact CB-O 3.5Å; Q480-F536 WeakPolarHBondContact CG-O 3.44Å; Q480-F536 PolarHBondContact N-O 3.49Å; L518-F536 HydrophobicContact CB-CD2 4.38Å; L518-F536 HydrophobicContact CB-CE1 4.34Å; L518-F536 HydrophobicContact CB-CE2 4.19Å; L518-F536 HydrophobicContact CB-CZ 4.16Å; L518-F536 HydrophobicContact CD1-CG 4.47Å; L518-F536 HydrophobicContact CD2-CD1 3.55Å; L518-F536 HydrophobicContact CD2-CE1 3.8Å; L518-F536 HydrophobicContact CD2-CG 4.01Å; L518-F536 HydrophobicContact CD2-CZ 4.46Å; L518-F536 HydrophobicContact CG-CD1 4.47Å; L518-F536 WeakPolarHBondContact O-CZ 3.49Å; I521-F536 HydrophobicContact CB-CE1 4.12Å; I521-F536 HydrophobicContact CB-CZ 4.01Å; I521-F536 HydrophobicContact CD1-CE1 4.4Å; I521-F536 HydrophobicContact CG2-CE1 3.88Å; I521-F536 HydrophobicContact CG2-CZ 3.92Å; E522-F536 HydrophobicContact CB-CE2 4.11Å; E522-F536 HydrophobicContact CB-CZ 4.26Å; V534-F536 HydrophobicContact CB-CE2 4.46Å; V534-F536 HydrophobicContact CB-CZ 4.34Å; V534-F536 HydrophobicContact CG1-CE2 3.62Å; V534-F536 HydrophobicContact CG1-CZ 3.66Å; V534-F536 HydrophobicContact CG2-CD1 4.23Å; V534-F536 HydrophobicContact CG2-CD2 4.48Å; V534-F536 HydrophobicContact CG2-CE1 3.77Å; V534-F536 HydrophobicContact CG2-CE2 4.04Å; V534-F536 HydrophobicContact CG2-CZ 3.67Å; F536-L561 HydrophobicContact CD1-CD1 4.33Å; F536-L605 HydrophobicContact CD1-CB 3.8Å; F536-L605 HydrophobicContact CD1-CD2 4.29Å; F536-L605 HydrophobicContact CE1-CB 4.14Å; F536-L605 HydrophobicContact CE1-CD2 3.87Å
537	V	96.9	Very high	93.4	Very high	4 Å²	4	41 Å²	41	2%	0.024	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	141.3	-176.9	-174.1	0	0	0	0	110.8	W472 Q480 I535 L545 S603 Y604 F606	W472-V537 HydrophobicContact CE3-CG1 4.07Å; W472-V537 HydrophobicContact CH2-CG1 3.85Å; W472-V537 HydrophobicContact CZ3-CG1 3.33Å; Q480-V537 CarbonylContact O-C 3.59Å; Q480-V537 WeakPolarHBondContact O-CA 3.5Å; I535-V537 HydrophobicContact CG2-CG2 3.79Å; V537-L545 HydrophobicContact CG1-CD2 4.33Å; V537-S603 VanDerWaalsContact O-CA 3.31Å; V537-S603 WeakPolarHBondContact O-CA 3.45Å; V537-Y604 HydrophobicContact CB-CD2 3.89Å; V537-Y604 HydrophobicContact CB-CE2 3.52Å; V537-Y604 HydrophobicContact CG1-CD2 4.42Å; V537-Y604 HydrophobicContact CG1-CE2 3.59Å; V537-Y604 HydrophobicContact CG2-CE2 4.2Å; V537-Y604 PolarHBondContact N-O 3.28Å; V537-Y604 PolarHBondContact O-N 3.18Å; V537-F606 HydrophobicContact CG2-CD2 4.04Å; V537-F606 HydrophobicContact CG2-CE2 3.97Å
538	A	97.3	Very high	93.4	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	134.4	166	0	0	0	0	0	109.9	F479 Q480 Q481 L508 L511 A602	F479-A538 HydrophobicContact CB-CB 3.57Å; F479-A538 HydrophobicContact CD1-CB 4.24Å; F479-A538 HydrophobicContact CD2-CB 4.37Å; F479-A538 HydrophobicContact CG-CB 3.83Å; Q480-A538 PolarHBondContact O-N 3.48Å; Q481-A538 WeakPolarHBondContact CA-O 3.23Å; Q481-A538 WeakPolarHBondContact CB-O 3.39Å; L508-A538 HydrophobicContact CD1-CB 3.69Å; L511-A538 HydrophobicContact CD1-CB 3.46Å; L511-A538 VanDerWaalsContact CD1-CB 3.46Å; A538-A602 VanDerWaalsContact CA-O 3.28Å; A538-A602 WeakPolarHBondContact CA-O 3.41Å
539	D	96.3	Very high	93.4	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	157.7	-174.7	-163.9	17.5	0	0	0	112.2	W472 R482 P601 A602 Y604	W472-D539 HydrophobicContact CH2-CB 3.91Å; W472-D539 HydrophobicContact CZ3-CB 4.36Å; R482-D539 IonicContact CZ-OD1 3.72Å; R482-D539 IonicContact CZ-OD2 3.63Å; R482-D539 IonicContact NH1-OD1 2.93Å; R482-D539 PolarHBondContact NH1-OD1 2.64Å; R482-D539 IonicContact NH1-OD2 3.58Å; R482-D539 PolarHBondContact NH1-OD2 3.16Å; D539-P601 VanDerWaalsContact O-CA 3.24Å; D539-P601 WeakPolarHBondContact O-CA 3.45Å; D539-P601 WeakPolarHBondContact O-CB 3.2Å; D539-A602 PolarHBondContact N-O 3.44Å; D539-A602 PolarHBondContact O-N 3.09Å; D539-Y604 HydrophobicContact CB-CE1 4.49Å
540	F	96.9	Very high	93.5	Very high	21 Å²	21	34.7 Å²	34.7	9%	0.092	20%	0.197	C	C	.	.			trans	-86.5	151.8	-171.9	-62.1	-97.5	0	0	0	112	R482 L505 P506 L508 G542 L543 T596	R482-F540 HydrophobicContact CB-CE2 4.38Å; L505-F540 HydrophobicContact CB-CE1 4.26Å; L505-F540 HydrophobicContact CB-CE2 3.82Å; L505-F540 HydrophobicContact CB-CZ 3.67Å; L505-F540 HydrophobicContact CD1-CD2 3.7Å; L505-F540 HydrophobicContact CD1-CE2 3.7Å; L505-F540 HydrophobicContact CD1-CG 4.35Å; L505-F540 HydrophobicContact CD1-CZ 4.34Å; L505-F540 HydrophobicContact CD2-CD1 4.42Å; L505-F540 HydrophobicContact CD2-CE1 4.47Å; L505-F540 HydrophobicContact CD2-CG 4.46Å; L505-F540 HydrophobicContact CG-CD2 4.49Å; L505-F540 HydrophobicContact CG-CE2 4.25Å; L505-F540 HydrophobicContact CG-CZ 4.41Å; P506-F540 HydrophobicContact CG-CE1 4.19Å; P506-F540 WeakPolarHBondContact O-CZ 3Å; L508-F540 HydrophobicContact CD1-CE2 4.4Å; L508-F540 HydrophobicContact CD1-CZ 4.2Å; L508-F540 HydrophobicContact CD2-CD1 4.07Å; L508-F540 HydrophobicContact CD2-CE1 3.42Å; L508-F540 VanDerWaalsContact CD2-CE1 3.42Å; L508-F540 HydrophobicContact CD2-CZ 3.78Å; L508-F540 HydrophobicContact CG-CE1 4.05Å; L508-F540 HydrophobicContact CG-CZ 3.85Å; F540-G542 PolarHBondContact O-N 3.47Å; F540-L543 HydrophobicContact CB-CD1 3.85Å; F540-L543 HydrophobicContact CB-CG 4.26Å; F540-L543 HydrophobicContact CD2-CD1 4.29Å; F540-L543 HydrophobicContact CG-CD1 4.49Å; F540-L543 PolarHBondContact O-N 2.92Å; F540-L543 VanDerWaalsContact O-N 3.16Å; F540-T596 WeakPolarHBondContact O-CB 3.27Å
541	P	95.9	Very high	93.7	Very high	46 Å²	46	32.8 Å²	32.8	30%	0.299	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.8	128.5	176.2	-31.3	37.4	0	0	0	114.5	L543	P541-L543 VanDerWaalsContact C-N 3.25Å; P541-L543 PolarHBondContact O-N 3.36Å
542	G	94.9	Very high	93.8	Very high	48 Å²	48	34.6 Å²	34.6	50%	0.495	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.5	0.4	175.6	0	0	0	0	0	115	F540 T596	F540-G542 PolarHBondContact O-N 3.47Å; G542-T596 PolarHBondContact N-O 3.3Å
543	L	96.2	Very high	93.7	Very high	5 Å²	5	36.3 Å²	36.3	3%	0.026	21%	0.212	C	C	.	.			trans	-90.9	155.6	170.4	-56	-175.6	0	0	0	111.5	P486 R487 L505 F540 P541 T595 T596	P486-L543 HydrophobicContact CG-CD1 4.47Å; P486-L543 HydrophobicContact CG-CD2 4.25Å; R487-L543 HydrophobicContact CG-CD2 4.27Å; L505-L543 HydrophobicContact CD1-CD1 4.24Å; F540-L543 HydrophobicContact CB-CD1 3.85Å; F540-L543 HydrophobicContact CB-CG 4.26Å; F540-L543 HydrophobicContact CD2-CD1 4.29Å; F540-L543 HydrophobicContact CG-CD1 4.49Å; F540-L543 PolarHBondContact O-N 2.92Å; F540-L543 VanDerWaalsContact O-N 3.16Å; P541-L543 VanDerWaalsContact C-N 3.25Å; P541-L543 PolarHBondContact O-N 3.36Å; L543-T595 WeakPolarHBondContact O-CA 3.38Å; L543-T596 PolarHBondContact O-N 2.86Å
544	T	95.2	Very high	93.7	Very high	47 Å²	47	36 Å²	36	29%	0.288	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	121.6	-179.4	-58.6	0	0	0	0	109.4	R482 L593 V594 T595	R482-T544 PolarHBondContact NH2-O 2.75Å; T544-L593 HydrophobicContact CG2-CB 3.91Å; T544-L593 HydrophobicContact CG2-CD2 4.04Å; T544-V594 CarbonylContact C-O 3.35Å; T544-V594 WeakPolarHBondContact CA-O 3.49Å; T544-T595 WeakPolarHBondContact CG2-OG1 3.36Å; T544-T595 WeakPolarHBondContact OG1-CG2 3.36Å; T544-T595 PolarHBondContact OG1-OG1 3.34Å
545	L	94.4	Very high	93.5	Very high	6 Å²	6	41.1 Å²	41.1	3%	0.031	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	125.2	164.7	170.2	65.9	0	0	0	108.8	W472 V537 N547 L593 V594 Y604 F606	W472-L545 HydrophobicContact CH2-CB 4.19Å; W472-L545 HydrophobicContact CH2-CD1 4.17Å; W472-L545 HydrophobicContact CZ2-CB 3.98Å; W472-L545 HydrophobicContact CZ2-CD1 3.48Å; W472-L545 VanDerWaalsContact CZ2-CD1 3.48Å; W472-L545 HydrophobicContact CZ2-CG 4.24Å; V537-L545 HydrophobicContact CG1-CD2 4.33Å; L545-N547 HydrophobicContact CD2-CB 4.49Å; L545-N547 HydrophobicContact CG-CB 4.32Å; L545-L593 WeakPolarHBondContact O-CA 3.48Å; L545-V594 HydrophobicContact CB-CB 4.47Å; L545-V594 PolarHBondContact N-O 3.07Å; L545-V594 PolarHBondContact O-N 3.09Å; L545-Y604 HydrophobicContact CD2-CE2 3.86Å; L545-F606 HydrophobicContact CD2-CE2 3.74Å; L545-F606 HydrophobicContact CD2-CZ 3.89Å
546	T	92.1	Very high	93.6	Very high	70 Å²	70	39.3 Å²	39.3	43%	0.429	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	112.9	170.1	-55.9	0	0	0	0	107.7	T591	T546-T591 HydrophobicContact CG2-CG2 3.36Å
547	N	91	Very high	93.6	Very high	41 Å²	41	40.1 Å²	40.1	22%	0.219	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	116.4	-176.6	-170.9	14.6	0	0	0	110	L545 H592	L545-N547 HydrophobicContact CD2-CB 4.49Å; L545-N547 HydrophobicContact CG-CB 4.32Å; N547-H592 PolarHBondContact N-O 3.43Å; N547-H592 PolarHBondContact O-N 3.33Å
548	F	90.7	Very high	93.6	Very high	111 Å²	111	39.9 Å²	39.9	49%	0.487	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	122.5	172.4	175.6	-96.6	0	0	0	109.2
549	I	90.8	Very high	93.6	Very high	7 Å²	7	41.4 Å²	41.4	4%	0.036	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	118	-179.5	-63.1	-179.8	0	0	0	109	L553 C556 L586 N589 I590 H592	I549-L553 HydrophobicContact CG2-CB 4.06Å; I549-L553 HydrophobicContact CG2-CD1 4.47Å; I549-C556 HydrophobicContact CD1-CB 4.01Å; I549-C556 HydrophobicContact CG2-CB 4.36Å; I549-C556 VanDerWaalsContact CG2-SG 3.58Å; I549-L586 HydrophobicContact CD1-CB 3.53Å; I549-L586 HydrophobicContact CD1-CD1 3.51Å; I549-L586 HydrophobicContact CD1-CG 4.16Å; I549-N589 VanDerWaalsContact O-CA 3.29Å; I549-N589 WeakPolarHBondContact O-CA 3.35Å; I549-N589 PolarHBondContact O-N 2.88Å; I549-I590 PolarHBondContact N-O 3.27Å; I549-H592 VanDerWaalsContact CD1-CD2 3.48Å; I549-H592 WeakPolarHBondContact CD1-CD2 3.45Å
550	S	90.8	Very high	93.6	Very high	38 Å²	38	41.5 Å²	41.5	27%	0.266	24%	0.243	S	C	.	.	P	Polyproline II helix	trans	-58.6	145.3	176.6	175.4	0	0	0	0	111.5	D552 L553	S550-D552 PolarHBondContact O-N 3.4Å; S550-D552 VanDerWaalsContact O-N 3.09Å; S550-D552 PolarHBondContact OG-N 3.11Å; S550-D552 VanDerWaalsContact OG-N 3.16Å; S550-D552 PolarHBondContact OG-OD2 3.02Å; S550-L553 PolarHBondContact O-N 2.98Å; S550-L553 VanDerWaalsContact O-N 3.07Å
551	P	90	Very high	93.6	Very high	63 Å²	63	42.2 Å²	42.2	41%	0.409	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-19.2	168.6	24.4	-35.6	0	0	0	114.2	L553 N589	P551-L553 VanDerWaalsContact C-N 3.28Å; P551-L553 PolarHBondContact O-N 2.82Å; P551-N589 HydrophobicContact CB-CB 4.26Å
552	D	90.6	Very high	93.6	Very high	78 Å²	78	43.5 Å²	43.5	42%	0.417	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-8.9	179.1	-55.2	-36	0	0	0	113.2	S550 K611	S550-D552 PolarHBondContact O-N 3.4Å; S550-D552 VanDerWaalsContact O-N 3.09Å; S550-D552 PolarHBondContact OG-N 3.11Å; S550-D552 VanDerWaalsContact OG-N 3.16Å; S550-D552 PolarHBondContact OG-OD2 3.02Å; D552-K611 WeakPolarHBondContact O-CB 3.3Å; D552-K611 PolarHBondContact O-N 2.88Å
553	L	91.1	Very high	93.5	Very high	40 Å²	40	42.2 Å²	42.2	21%	0.209	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	123.5	175.2	-58.9	-178.5	0	0	0	109.4	I549 S550 P551 S588 Y608	I549-L553 HydrophobicContact CG2-CB 4.06Å; I549-L553 HydrophobicContact CG2-CD1 4.47Å; S550-L553 PolarHBondContact O-N 2.98Å; S550-L553 VanDerWaalsContact O-N 3.07Å; P551-L553 VanDerWaalsContact C-N 3.28Å; P551-L553 PolarHBondContact O-N 2.82Å; L553-S588 PolarHBondContact O-OG 3.43Å; L553-Y608 HydrophobicContact CD1-CG 4.36Å; L553-Y608 HydrophobicContact CD2-CD2 3.61Å; L553-Y608 HydrophobicContact CD2-CE2 4.08Å; L553-Y608 HydrophobicContact CD2-CG 4.18Å
554	I	91.3	Very high	93.5	Very high	52 Å²	52	45.5 Å²	45.5	27%	0.267	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	164	178.2	61.1	170.5	0	0	0	110.7	C556 T609 K611	I554-C556 PolarHBondContact O-N 3.33Å; I554-T609 HydrophobicContact CG1-CG2 4.46Å; I554-T609 WeakPolarHBondContact CG1-O 3.32Å; I554-T609 PolarHBondContact N-O 3.49Å; I554-T609 PolarHBondContact O-N 3.01Å; I554-K611 HydrophobicContact CD1-CB 4.32Å; I554-K611 HydrophobicContact CD1-CG 4.47Å; I554-K611 HydrophobicContact CG1-CB 4.24Å; I554-K611 HydrophobicContact CG2-CB 4.09Å; I554-K611 HydrophobicContact CG2-CD 4.04Å; I554-K611 HydrophobicContact CG2-CG 4.38Å
555	N	92.1	Very high	93.5	Very high	120 Å²	120	43.3 Å²	43.3	64%	0.642	24%	0.24	S	C	*	.	E	Extended strand (participates in β ladder)	trans	53.1	37.2	-177.2	-60.9	-23.7	0	0	0	113.2	T557	N555-T557 PolarHBondContact O-N 3.26Å
556	C	94.9	Very high	93.6	Very high	8 Å²	8	48.1 Å²	48.1	5%	0.054	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	128	179.8	-67.3	0	0	0	0	110	I549 I554 L586 T607	I549-C556 HydrophobicContact CD1-CB 4.01Å; I549-C556 HydrophobicContact CG2-CB 4.36Å; I549-C556 VanDerWaalsContact CG2-SG 3.58Å; I554-C556 PolarHBondContact O-N 3.33Å; C556-L586 HydrophobicContact CB-CB 3.91Å; C556-L586 PolarHBondContact O-N 3.23Å; C556-T607 CarbonylContact C-O 3.5Å; C556-T607 VanDerWaalsContact CA-O 3.22Å; C556-T607 WeakPolarHBondContact CA-O 3.37Å
557	T	96.3	Very high	93.8	Very high	37 Å²	37	45.3 Å²	45.3	23%	0.227	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	148.7	173.9	80.6	0	0	0	0	111.1	N555 I584 F606 T607	N555-T557 PolarHBondContact O-N 3.26Å; T557-I584 CarbonylContact C-O 3.57Å; T557-I584 VanDerWaalsContact CA-O 3.28Å; T557-I584 WeakPolarHBondContact CA-O 3.16Å; T557-F606 VanDerWaalsContact O-CA 3.25Å; T557-F606 WeakPolarHBondContact O-CA 3.15Å; T557-T607 PolarHBondContact N-O 3.37Å; T557-T607 PolarHBondContact O-N 3.44Å; T557-T607 VanDerWaalsContact O-N 3.17Å; T557-T607 PolarHBondContact OG1-OG1 3.29Å
558	L	96.8	Very high	93.9	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	121.2	166.5	169.3	63.8	0	0	0	108	I560 Y567 L578 S583 I584 L586 V594 Y604 F606	L558-I560 HydrophobicContact CD1-CD1 4.08Å; L558-I560 HydrophobicContact CD2-CD1 4.34Å; L558-I560 HydrophobicContact CG-CD1 4.04Å; L558-Y567 HydrophobicContact CD2-CD2 3.99Å; L558-L578 HydrophobicContact CD2-CD1 4.03Å; L558-S583 CarbonylContact O-C 3.44Å; L558-S583 VanDerWaalsContact O-CA 3.28Å; L558-S583 WeakPolarHBondContact O-CA 3.25Å; L558-I584 HydrophobicContact CB-CG1 3.98Å; L558-I584 HydrophobicContact CD2-CD1 4.32Å; L558-I584 HydrophobicContact CD2-CG1 4.44Å; L558-I584 PolarHBondContact N-O 3.48Å; L558-I584 PolarHBondContact O-N 3.31Å; L558-L586 HydrophobicContact CB-CD1 3.95Å; L558-L586 HydrophobicContact CB-CD2 3.94Å; L558-L586 HydrophobicContact CB-CG 4.16Å; L558-V594 HydrophobicContact CD2-CG1 4.45Å; L558-V594 HydrophobicContact CD2-CG2 3.75Å; L558-Y604 HydrophobicContact CD1-CD2 3.68Å; L558-Y604 HydrophobicContact CD1-CG 4.03Å; L558-F606 HydrophobicContact CB-CD1 4.36Å; L558-F606 HydrophobicContact CB-CE1 4.17Å; L558-F606 HydrophobicContact CD1-CD1 4.23Å; L558-F606 HydrophobicContact CD1-CE1 3.74Å; L558-F606 HydrophobicContact CD1-CE2 4.49Å; L558-F606 HydrophobicContact CD1-CZ 3.89Å; L558-F606 HydrophobicContact CG-CE1 4.41Å
559	T	97.2	Very high	94	Very high	32 Å²	32	44 Å²	44	20%	0.196	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	127.3	177.5	-58	0	0	0	0	110.8	S583 Y604 L605	T559-S583 WeakPolarHBondContact OG1-CB 3.06Å; T559-S583 PolarHBondContact OG1-OG 2.88Å; T559-Y604 CarbonylContact O-C 3.36Å; T559-Y604 VanDerWaalsContact O-CA 3.22Å; T559-Y604 WeakPolarHBondContact O-CA 3.38Å; T559-Y604 VanDerWaalsContact O-CB 3.3Å; T559-Y604 WeakPolarHBondContact O-CB 3.39Å; T559-L605 PolarHBondContact N-O 2.81Å; T559-L605 PolarHBondContact O-N 3.02Å
560	I	97.1	Very high	93.9	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.005	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	124.2	-178.9	-48	-49.9	0	0	0	109.7	L558 V565 L578 G581 K582 Y604	L558-I560 HydrophobicContact CD1-CD1 4.08Å; L558-I560 HydrophobicContact CD2-CD1 4.34Å; L558-I560 HydrophobicContact CG-CD1 4.04Å; I560-V565 HydrophobicContact CD1-CB 4.46Å; I560-V565 HydrophobicContact CD1-CG1 4.3Å; I560-V565 HydrophobicContact CD1-CG2 3.31Å; I560-V565 HydrophobicContact CG1-CG2 3.93Å; I560-L578 HydrophobicContact CD1-CB 4.27Å; I560-L578 HydrophobicContact CD1-CD1 4.35Å; I560-L578 HydrophobicContact CG1-CB 3.64Å; I560-L578 HydrophobicContact CG1-CD1 4.37Å; I560-G581 PolarHBondContact O-N 2.95Å; I560-K582 PolarHBondContact N-O 3.08Å; I560-Y604 HydrophobicContact CD1-CG 4.43Å
561	L	96.4	Very high	93.7	Very high	37 Å²	37	55.8 Å²	55.8	19%	0.194	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	-49.1	180	-63.7	175.3	0	0	0	111.2	F479 M514 L518 I521 F536 S603 L605	F479-L561 HydrophobicContact CE1-CD1 3.82Å; F479-L561 HydrophobicContact CZ-CD1 4.03Å; M514-L561 HydrophobicContact CE-CB 4.21Å; L518-L561 HydrophobicContact CD2-CD1 4.2Å; I521-L561 HydrophobicContact CD1-CD2 4.17Å; F536-L561 HydrophobicContact CD1-CD1 4.33Å; L561-S603 PolarHBondContact N-O 3.23Å; L561-L605 HydrophobicContact CD1-CB 4.46Å; L561-L605 HydrophobicContact CD1-CD2 4.22Å; L561-L605 HydrophobicContact CD2-CD2 3.92Å; L561-L605 HydrophobicContact CG-CD2 4.3Å
562	E	95.3	Very high	93.4	Very high	72 Å²	72	55 Å²	55	34%	0.336	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	152.3	178.4	-163.1	176.4	167.7	0	0	110.7	H513 A602 S603	H513-E562 IonicContact CE1-OE2 3.42Å; H513-E562 IonicContact NE2-OE2 2.87Å; E562-A602 CarbonylContact O-C 3.52Å; E562-A602 WeakPolarHBondContact O-CA 3.42Å; E562-S603 WeakPolarHBondContact CB-OG 3.36Å; E562-S603 PolarHBondContact N-O 2.92Å; E562-S603 VanDerWaalsContact N-O 3.09Å; E562-S603 PolarHBondContact N-OG 3.19Å; E562-S603 PolarHBondContact O-N 3.02Å
563	G	94	Very high	92.6	Very high	21 Å²	21	56.7 Å²	56.7	22%	0.216	28%	0.281	C	S	.	.	S	Bend	trans	82.1	-166.9	-179.2	0	0	0	0	0	113.3	A580	G563-A580 PolarHBondContact O-N 3.37Å
564	N	94.8	Very high	92.4	Very high	75 Å²	75	61.3 Å²	61.3	40%	0.401	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	138.2	-177.6	-58.1	-56.5	0	0	0	108.9	T579 I597	N564-T579 WeakPolarHBondContact OD1-CG2 3.49Å; N564-I597 VanDerWaalsContact C-CG1 3.45Å; N564-I597 HydrophobicContact CB-CD1 4.05Å; N564-I597 HydrophobicContact CB-CG1 3.69Å; N564-I597 WeakPolarHBondContact O-CG1 3.23Å; N564-I597 PolarHBondContact O-N 3.5Å; N564-I597 VanDerWaalsContact O-O 3.1Å
565	V	96.4	Very high	92.1	Very high	0 Å²	0	61 Å²	61	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	147.7	175.8	-55.1	0	0	0	0	110.9	I560 L578 V594 T595 A602 Y604	I560-V565 HydrophobicContact CD1-CB 4.46Å; I560-V565 HydrophobicContact CD1-CG1 4.3Å; I560-V565 HydrophobicContact CD1-CG2 3.31Å; I560-V565 HydrophobicContact CG1-CG2 3.93Å; V565-L578 HydrophobicContact CG2-CB 3.78Å; V565-L578 HydrophobicContact CG2-CD1 4.27Å; V565-L578 HydrophobicContact CG2-CG 4.47Å; V565-L578 PolarHBondContact N-O 3.43Å; V565-L578 PolarHBondContact O-N 3.08Å; V565-V594 HydrophobicContact CB-CG1 3.88Å; V565-V594 HydrophobicContact CG1-CG1 3.98Å; V565-V594 HydrophobicContact CG2-CG1 4.07Å; V565-T595 CarbonylContact C-O 3.57Å; V565-T595 VanDerWaalsContact CA-O 3.26Å; V565-T595 WeakPolarHBondContact CA-O 3.4Å; V565-A602 HydrophobicContact CG1-CB 3.67Å; V565-Y604 HydrophobicContact CG1-CD1 4.01Å; V565-Y604 HydrophobicContact CG1-CE1 4.18Å
566	R	96	Very high	91.9	Very high	107 Å²	107	60.1 Å²	60.1	40%	0.404	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	117.2	165	-177.5	-171.1	-64.2	155.8	1.1	107.8	A575 Y576 F577 T595 I597	R566-A575 HydrophobicContact CG-CB 3.78Å; R566-Y576 CarbonylContact C-O 3.58Å; R566-Y576 WeakPolarHBondContact CA-O 3.27Å; R566-F577 HydrophobicContact CB-CE1 4.4Å; R566-F577 HydrophobicContact CG-CE1 4.36Å; R566-T595 PolarHBondContact N-O 2.81Å; R566-T595 PolarHBondContact O-N 3.25Å; R566-I597 HydrophobicContact CB-CD1 4.35Å; R566-I597 HydrophobicContact CB-CG2 3.91Å
567	Y	95.5	Very high	91.9	Very high	11 Å²	11	65.8 Å²	65.8	4%	0.043	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	138.9	177	168.3	-97.9	0	0	0	110.3	L558 A575 Y576 L578 I584 L586 H592 L593 V594	L558-Y567 HydrophobicContact CD2-CD2 3.99Å; Y567-A575 CarbonylContact O-C 2.97Å; Y567-A575 WeakPolarHBondContact O-CA 3.43Å; Y567-Y576 AromaticContact CD1-CD2 3.73Å; Y567-Y576 HydrophobicContact CD1-CD2 3.73Å; Y567-Y576 HydrophobicContact CD1-CG 4.25Å; Y567-Y576 HydrophobicContact CE1-CD2 4.12Å; Y567-Y576 PolarHBondContact N-O 3.24Å; Y567-Y576 PolarHBondContact O-N 3.09Å; Y567-L578 HydrophobicContact CG-CD1 4.47Å; Y567-I584 HydrophobicContact CD1-CD1 3.47Å; Y567-I584 VanDerWaalsContact CD1-CD1 3.47Å; Y567-I584 HydrophobicContact CD2-CD1 3.89Å; Y567-I584 HydrophobicContact CE1-CD1 3.44Å; Y567-I584 VanDerWaalsContact CE1-CD1 3.44Å; Y567-I584 HydrophobicContact CE2-CD1 3.85Å; Y567-I584 HydrophobicContact CG-CD1 3.69Å; Y567-L586 HydrophobicContact CE2-CD2 3.67Å; Y567-H592 HydrophobicContact CE2-CB 4.07Å; Y567-H592 AromaticContact CE2-ND1 3.48Å; Y567-H592 WeakPolarHBondContact CE2-ND1 3.42Å; Y567-H592 AromaticContact CZ-ND1 3.52Å; Y567-H592 PolarHBondContact OH-CE1 2.95Å; Y567-H592 VanDerWaalsContact OH-CE1 3.22Å; Y567-H592 PolarHBondContact OH-ND1 3.33Å; Y567-L593 WeakPolarHBondContact CA-O 3.22Å; Y567-V594 HydrophobicContact CD2-CG2 4.3Å
568	R	94.5	Very high	91.8	Very high	109 Å²	109	64.7 Å²	64.7	41%	0.411	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	157.2	166.8	64.8	-178.3	-177.4	104.2	-9.1	108.9	L593	R568-L593 HydrophobicContact CG-CB 3.73Å; R568-L593 HydrophobicContact CG-CD1 4Å; R568-L593 HydrophobicContact CG-CG 4.44Å; R568-L593 PolarHBondContact N-O 2.92Å; R568-L593 PolarHBondContact O-N 2.95Å
569	N	91.8	Very high	91.7	Very high	16 Å²	16	67.8 Å²	67.8	9%	0.086	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	173.1	171.1	72.1	31.3	0	0	0	110.1	R571 D572 I590	N569-R571 VanDerWaalsContact C-N 3.33Å; N569-R571 PolarHBondContact OD1-N 2.83Å; N569-R571 VanDerWaalsContact OD1-N 3.12Å; N569-D572 VanDerWaalsContact O-O 3.07Å; N569-D572 WeakPolarHBondContact OD1-CA 3.37Å; N569-D572 VanDerWaalsContact OD1-CB 3.31Å; N569-D572 WeakPolarHBondContact OD1-CB 3.48Å; N569-D572 PolarHBondContact OD1-N 3.01Å; N569-D572 PolarHBondContact OD1-O 3.42Å; N569-I590 HydrophobicContact CB-CD1 3.9Å
570	E	88.9	Confident	91.5	Very high	131 Å²	131	68.9 Å²	68.9	61%	0.612	34%	0.343	S	S	*	.	S	Bend	trans	-69.5	-28.6	-176.5	-171.4	175.1	172.8	0	0	113.7	T591	E570-T591 PolarHBondContact N-O 3.37Å; E570-T591 WeakPolarHBondContact OE2-CB 3.2Å; E570-T591 PolarHBondContact OE2-N 2.94Å; E570-T591 PolarHBondContact OE2-OG1 2.8Å
571	R	87.7	Confident	91.3	Very high	162 Å²	162	72 Å²	72	61%	0.611	38%	0.376	S	S	*	.	S	Bend	trans	-89	-32.6	-175.5	-67.8	-177.6	177.8	159.7	1.6	113.5	N569 E587 I590	N569-R571 VanDerWaalsContact C-N 3.33Å; N569-R571 PolarHBondContact OD1-N 2.83Å; N569-R571 VanDerWaalsContact OD1-N 3.12Å; R571-E587 IonicContact NH1-OE2 3.45Å; R571-E587 PolarHBondContact NH1-OE2 3.31Å; R571-I590 HydrophobicContact CG-CG2 4.26Å
572	D	82.9	Confident	91.2	Very high	45 Å²	45	76.2 Å²	76.2	24%	0.241	39%	0.392	C	S	.	.			trans	-115.5	107.1	-178.3	-176.5	7.5	0	0	0	109.2	N569 E574 Y576	N569-D572 VanDerWaalsContact O-O 3.07Å; N569-D572 WeakPolarHBondContact OD1-CA 3.37Å; N569-D572 VanDerWaalsContact OD1-CB 3.31Å; N569-D572 WeakPolarHBondContact OD1-CB 3.48Å; N569-D572 PolarHBondContact OD1-N 3.01Å; N569-D572 PolarHBondContact OD1-O 3.42Å; D572-E574 PolarHBondContact O-N 3.49Å; D572-E574 WeakPolarHBondContact OD1-CB 3.44Å; D572-E574 PolarHBondContact OD1-N 2.75Å; D572-Y576 PolarHBondContact OD2-OH 2.58Å
573	P	74.4	Confident	91.2	Very high	115 Å²	115	75.9 Å²	75.9	75%	0.747	40%	0.398	S	S	*	.			trans	-74	-9.7	179.3	31	-33.9	0	0	0	113.1	A575	P573-A575 PolarHBondContact O-N 3.01Å
574	E	85.3	Confident	91.3	Very high	136 Å²	136	76.9 Å²	76.9	64%	0.636	40%	0.398	S	S	*	.	P	Polyproline II helix	trans	-67.4	127.2	177	-69.9	-160.1	158.8	0	0	111.2	D572 Y576	D572-E574 PolarHBondContact O-N 3.49Å; D572-E574 WeakPolarHBondContact OD1-CB 3.44Å; D572-E574 PolarHBondContact OD1-N 2.75Å; E574-Y576 WeakPolarHBondContact O-CD2 3.35Å; E574-Y576 VanDerWaalsContact O-CE2 3.31Å; E574-Y576 WeakPolarHBondContact O-CE2 3.45Å
575	A	86.1	Confident	91.3	Very high	45 Å²	45	76.1 Å²	76.1	37%	0.372	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-88.4	123.1	-177.8	0	0	0	0	0	110.7	R566 Y567 P573	R566-A575 HydrophobicContact CG-CB 3.78Å; Y567-A575 CarbonylContact O-C 2.97Å; Y567-A575 WeakPolarHBondContact O-CA 3.43Å; P573-A575 PolarHBondContact O-N 3.01Å
576	Y	88.4	Confident	91.1	Very high	103 Å²	103	76.8 Å²	76.8	40%	0.404	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	137.5	174.5	-57.4	-92.9	0	0	0	110.1	R566 Y567 D572 E574	R566-Y576 CarbonylContact C-O 3.58Å; R566-Y576 WeakPolarHBondContact CA-O 3.27Å; Y567-Y576 AromaticContact CD1-CD2 3.73Å; Y567-Y576 HydrophobicContact CD1-CD2 3.73Å; Y567-Y576 HydrophobicContact CD1-CG 4.25Å; Y567-Y576 HydrophobicContact CE1-CD2 4.12Å; Y567-Y576 PolarHBondContact N-O 3.24Å; Y567-Y576 PolarHBondContact O-N 3.09Å; D572-Y576 PolarHBondContact OD2-OH 2.58Å; E574-Y576 WeakPolarHBondContact O-CD2 3.35Å; E574-Y576 VanDerWaalsContact O-CE2 3.31Å; E574-Y576 WeakPolarHBondContact O-CE2 3.45Å
577	F	93.8	Very high	90.9	Very high	127 Å²	127	76.2 Å²	76.2	56%	0.557	41%	0.413	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.9	117.5	174.1	-69.1	-86.4	0	0	0	109.2	R566 I597	R566-F577 HydrophobicContact CB-CE1 4.4Å; R566-F577 HydrophobicContact CG-CE1 4.36Å; F577-I597 HydrophobicContact CD1-CD1 3.48Å; F577-I597 VanDerWaalsContact CD1-CD1 3.48Å; F577-I597 HydrophobicContact CE1-CD1 3.78Å
578	L	94.4	Very high	90.7	Very high	14 Å²	14	77.6 Å²	77.6	7%	0.073	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	134.1	179.2	-54.9	174.2	0	0	0	109.6	L558 I560 V565 Y567 K582 I584	L558-L578 HydrophobicContact CD2-CD1 4.03Å; I560-L578 HydrophobicContact CD1-CB 4.27Å; I560-L578 HydrophobicContact CD1-CD1 4.35Å; I560-L578 HydrophobicContact CG1-CB 3.64Å; I560-L578 HydrophobicContact CG1-CD1 4.37Å; V565-L578 HydrophobicContact CG2-CB 3.78Å; V565-L578 HydrophobicContact CG2-CD1 4.27Å; V565-L578 HydrophobicContact CG2-CG 4.47Å; V565-L578 PolarHBondContact N-O 3.43Å; V565-L578 PolarHBondContact O-N 3.08Å; Y567-L578 HydrophobicContact CG-CD1 4.47Å; L578-K582 HydrophobicContact CD2-CB 4.35Å; L578-I584 HydrophobicContact CD1-CD1 3.81Å; L578-I584 HydrophobicContact CD1-CG1 3.97Å; L578-I584 HydrophobicContact CD1-CG2 4.26Å; L578-I584 HydrophobicContact CD2-CG2 3.78Å
579	T	94.5	Very high	90.6	Very high	64 Å²	64	76.8 Å²	76.8	39%	0.393	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	165.5	177.1	62.9	0	0	0	0	109.6	N564 G581 K582	N564-T579 WeakPolarHBondContact OD1-CG2 3.49Å; T579-G581 PolarHBondContact O-N 2.64Å; T579-K582 VanDerWaalsContact O-CB 3.31Å; T579-K582 WeakPolarHBondContact O-CB 3.28Å; T579-K582 WeakPolarHBondContact O-CG 3.42Å; T579-K582 PolarHBondContact O-N 2.97Å
580	A	94	Very high	90.6	Very high	55 Å²	55	76.2 Å²	76.2	46%	0.455	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-44.7	134.5	175.1	0	0	0	0	0	113.4	G563 K582	G563-A580 PolarHBondContact O-N 3.37Å; A580-K582 VanDerWaalsContact C-N 3.32Å; A580-K582 PolarHBondContact O-N 3.37Å
581	G	92.3	Very high	90.8	Very high	68 Å²	68	71.4 Å²	71.4	70%	0.701	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.2	-6.9	-177.9	0	0	0	0	0	115.4	I560 T579	I560-G581 PolarHBondContact O-N 2.95Å; T579-G581 PolarHBondContact O-N 2.64Å
582	K	95	Very high	91.1	Very high	124 Å²	124	63.7 Å²	63.7	54%	0.539	38%	0.376	S	S	.	.			trans	-82.9	142.4	173.2	-64.1	-65.7	-174.2	178.4	0	110.8	I560 L578 T579 A580	I560-K582 PolarHBondContact N-O 3.08Å; L578-K582 HydrophobicContact CD2-CB 4.35Å; T579-K582 VanDerWaalsContact O-CB 3.31Å; T579-K582 WeakPolarHBondContact O-CB 3.28Å; T579-K582 WeakPolarHBondContact O-CG 3.42Å; T579-K582 PolarHBondContact O-N 2.97Å; A580-K582 VanDerWaalsContact C-N 3.32Å; A580-K582 PolarHBondContact O-N 3.37Å
583	S	95.3	Very high	91.7	Very high	66 Å²	66	62.4 Å²	62.4	46%	0.462	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	142.4	176.2	-173.5	0	0	0	0	110	L558 T559	L558-S583 CarbonylContact O-C 3.44Å; L558-S583 VanDerWaalsContact O-CA 3.28Å; L558-S583 WeakPolarHBondContact O-CA 3.25Å; T559-S583 WeakPolarHBondContact OG1-CB 3.06Å; T559-S583 PolarHBondContact OG1-OG 2.88Å
584	I	95	Very high	92.7	Very high	42 Å²	42	57 Å²	57	22%	0.215	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	149.1	174.9	61.3	162.7	0	0	0	110.4	T557 L558 Y567 L578 L586	T557-I584 CarbonylContact C-O 3.57Å; T557-I584 VanDerWaalsContact CA-O 3.28Å; T557-I584 WeakPolarHBondContact CA-O 3.16Å; L558-I584 HydrophobicContact CB-CG1 3.98Å; L558-I584 HydrophobicContact CD2-CD1 4.32Å; L558-I584 HydrophobicContact CD2-CG1 4.44Å; L558-I584 PolarHBondContact N-O 3.48Å; L558-I584 PolarHBondContact O-N 3.31Å; Y567-I584 HydrophobicContact CD1-CD1 3.47Å; Y567-I584 VanDerWaalsContact CD1-CD1 3.47Å; Y567-I584 HydrophobicContact CD2-CD1 3.89Å; Y567-I584 HydrophobicContact CE1-CD1 3.44Å; Y567-I584 VanDerWaalsContact CE1-CD1 3.44Å; Y567-I584 HydrophobicContact CE2-CD1 3.85Å; Y567-I584 HydrophobicContact CG-CD1 3.69Å; L578-I584 HydrophobicContact CD1-CD1 3.81Å; L578-I584 HydrophobicContact CD1-CG1 3.97Å; L578-I584 HydrophobicContact CD1-CG2 4.26Å; L578-I584 HydrophobicContact CD2-CG2 3.78Å; I584-L586 HydrophobicContact CD1-CD2 4.01Å; I584-L586 HydrophobicContact CG1-CD2 4.23Å
585	G	94.3	Very high	93.2	Very high	59 Å²	59	51.4 Å²	51.4	61%	0.608	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.4	144.6	168.3	0	0	0	0	0	111.1
586	L	94	Very high	93.7	Very high	14 Å²	14	49.3 Å²	49.3	7%	0.073	29%	0.291	C	S	.	.			trans	-111.7	138	177	-53.9	176.4	0	0	0	109.5	I549 C556 L558 Y567 I584 F606	I549-L586 HydrophobicContact CD1-CB 3.53Å; I549-L586 HydrophobicContact CD1-CD1 3.51Å; I549-L586 HydrophobicContact CD1-CG 4.16Å; C556-L586 HydrophobicContact CB-CB 3.91Å; C556-L586 PolarHBondContact O-N 3.23Å; L558-L586 HydrophobicContact CB-CD1 3.95Å; L558-L586 HydrophobicContact CB-CD2 3.94Å; L558-L586 HydrophobicContact CB-CG 4.16Å; Y567-L586 HydrophobicContact CE2-CD2 3.67Å; I584-L586 HydrophobicContact CD1-CD2 4.01Å; I584-L586 HydrophobicContact CG1-CD2 4.23Å; L586-F606 HydrophobicContact CD1-CD1 3.62Å; L586-F606 HydrophobicContact CD1-CE1 3.72Å
587	E	91.3	Very high	94	Very high	95 Å²	95	46.2 Å²	46.2	44%	0.444	28%	0.282	S	S	.	.			trans	-79.6	141	175.4	-65.3	-179.4	-163.2	0	0	110.4	R571 I590 H592	R571-E587 IonicContact NH1-OE2 3.45Å; R571-E587 PolarHBondContact NH1-OE2 3.31Å; E587-I590 HydrophobicContact CB-CD1 3.66Å; E587-I590 HydrophobicContact CB-CG1 3.98Å; E587-I590 HydrophobicContact CG-CD1 4.37Å; E587-H592 PolarHBondContact O-NE2 2.89Å
588	S	91.4	Very high	93.8	Very high	40 Å²	40	42.5 Å²	42.5	28%	0.28	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	158	173.5	-43.2	0	0	0	0	111.3	L553 I590	L553-S588 PolarHBondContact O-OG 3.43Å; S588-I590 VanDerWaalsContact C-N 3.33Å; S588-I590 PolarHBondContact O-N 3.47Å
589	N	91.8	Very high	93.6	Very high	91 Å²	91	50.8 Å²	50.8	49%	0.487	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	63	31.8	178.8	-164.4	39.4	0	0	0	114.5	I549 P551	I549-N589 VanDerWaalsContact O-CA 3.29Å; I549-N589 WeakPolarHBondContact O-CA 3.35Å; I549-N589 PolarHBondContact O-N 2.88Å; P551-N589 HydrophobicContact CB-CB 4.26Å
590	I	92.6	Very high	93.6	Very high	5 Å²	5	54.6 Å²	54.6	3%	0.026	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	163	171.4	66.4	169.1	0	0	0	111.4	I549 N569 R571 E587 S588 H592	I549-I590 PolarHBondContact N-O 3.27Å; N569-I590 HydrophobicContact CB-CD1 3.9Å; R571-I590 HydrophobicContact CG-CG2 4.26Å; E587-I590 HydrophobicContact CB-CD1 3.66Å; E587-I590 HydrophobicContact CB-CG1 3.98Å; E587-I590 HydrophobicContact CG-CD1 4.37Å; S588-I590 VanDerWaalsContact C-N 3.33Å; S588-I590 PolarHBondContact O-N 3.47Å; I590-H592 WeakPolarHBondContact CG1-NE2 3.37Å
591	T	93.3	Very high	93.7	Very high	30 Å²	30	52.7 Å²	52.7	18%	0.184	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	130.6	174.9	-46.3	0	0	0	0	111.3	T546 E570	T546-T591 HydrophobicContact CG2-CG2 3.36Å; E570-T591 PolarHBondContact N-O 3.37Å; E570-T591 WeakPolarHBondContact OE2-CB 3.2Å; E570-T591 PolarHBondContact OE2-N 2.94Å; E570-T591 PolarHBondContact OE2-OG1 2.8Å
592	H	93.9	Very high	93.9	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	141.5	174.5	-63.2	-83.8	0	0	0	110.5	N547 I549 Y567 E587 I590	N547-H592 PolarHBondContact N-O 3.43Å; N547-H592 PolarHBondContact O-N 3.33Å; I549-H592 VanDerWaalsContact CD1-CD2 3.48Å; I549-H592 WeakPolarHBondContact CD1-CD2 3.45Å; Y567-H592 HydrophobicContact CE2-CB 4.07Å; Y567-H592 AromaticContact CE2-ND1 3.48Å; Y567-H592 WeakPolarHBondContact CE2-ND1 3.42Å; Y567-H592 AromaticContact CZ-ND1 3.52Å; Y567-H592 PolarHBondContact OH-CE1 2.95Å; Y567-H592 VanDerWaalsContact OH-CE1 3.22Å; Y567-H592 PolarHBondContact OH-ND1 3.33Å; E587-H592 PolarHBondContact O-NE2 2.89Å; I590-H592 WeakPolarHBondContact CG1-NE2 3.37Å
593	L	94.8	Very high	94	Very high	18 Å²	18	43.6 Å²	43.6	9%	0.094	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	117.9	178.5	-57.8	101.8	0	0	0	110.2	T544 L545 Y567 R568	T544-L593 HydrophobicContact CG2-CB 3.91Å; T544-L593 HydrophobicContact CG2-CD2 4.04Å; L545-L593 WeakPolarHBondContact O-CA 3.48Å; Y567-L593 WeakPolarHBondContact CA-O 3.22Å; R568-L593 HydrophobicContact CG-CB 3.73Å; R568-L593 HydrophobicContact CG-CD1 4Å; R568-L593 HydrophobicContact CG-CG 4.44Å; R568-L593 PolarHBondContact N-O 2.92Å; R568-L593 PolarHBondContact O-N 2.95Å
594	V	95.5	Very high	94	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	109.4	179.4	-174.8	0	0	0	0	107.6	T544 L545 L558 V565 Y567 Y604 F606	T544-V594 CarbonylContact C-O 3.35Å; T544-V594 WeakPolarHBondContact CA-O 3.49Å; L545-V594 HydrophobicContact CB-CB 4.47Å; L545-V594 PolarHBondContact N-O 3.07Å; L545-V594 PolarHBondContact O-N 3.09Å; L558-V594 HydrophobicContact CD2-CG1 4.45Å; L558-V594 HydrophobicContact CD2-CG2 3.75Å; V565-V594 HydrophobicContact CB-CG1 3.88Å; V565-V594 HydrophobicContact CG1-CG1 3.98Å; V565-V594 HydrophobicContact CG2-CG1 4.07Å; Y567-V594 HydrophobicContact CD2-CG2 4.3Å; V594-Y604 HydrophobicContact CG1-CD1 4.42Å; V594-Y604 HydrophobicContact CG1-CE1 3.98Å; V594-Y604 HydrophobicContact CG1-CE2 4.13Å; V594-F606 HydrophobicContact CG2-CZ 4.25Å
595	T	96.3	Very high	94.1	Very high	19 Å²	19	38.8 Å²	38.8	12%	0.117	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	123.1	-179.4	-53.2	0	0	0	0	110.2	L543 T544 V565 R566 I597	L543-T595 WeakPolarHBondContact O-CA 3.38Å; T544-T595 WeakPolarHBondContact CG2-OG1 3.36Å; T544-T595 WeakPolarHBondContact OG1-CG2 3.36Å; T544-T595 PolarHBondContact OG1-OG1 3.34Å; V565-T595 CarbonylContact C-O 3.57Å; V565-T595 VanDerWaalsContact CA-O 3.26Å; V565-T595 WeakPolarHBondContact CA-O 3.4Å; R566-T595 PolarHBondContact N-O 2.81Å; R566-T595 PolarHBondContact O-N 3.25Å; T595-I597 HydrophobicContact CG2-CG2 4.41Å; T595-I597 PolarHBondContact O-N 3.04Å
596	T	96.6	Very high	94.2	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.006	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	120.5	175.7	-63.8	0	0	0	0	109.9	F540 G542 L543 A602	F540-T596 WeakPolarHBondContact O-CB 3.27Å; G542-T596 PolarHBondContact N-O 3.3Å; L543-T596 PolarHBondContact O-N 2.86Å; T596-A602 HydrophobicContact CG2-CB 3.69Å
597	I	93.8	Very high	94.3	Very high	39 Å²	39	36.3 Å²	36.3	20%	0.2	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	136.1	-178.5	56.5	170.1	0	0	0	110.8	N564 R566 F577 T595	N564-I597 VanDerWaalsContact C-CG1 3.45Å; N564-I597 HydrophobicContact CB-CD1 4.05Å; N564-I597 HydrophobicContact CB-CG1 3.69Å; N564-I597 WeakPolarHBondContact O-CG1 3.23Å; N564-I597 PolarHBondContact O-N 3.5Å; N564-I597 VanDerWaalsContact O-O 3.1Å; R566-I597 HydrophobicContact CB-CD1 4.35Å; R566-I597 HydrophobicContact CB-CG2 3.91Å; F577-I597 HydrophobicContact CD1-CD1 3.48Å; F577-I597 VanDerWaalsContact CD1-CD1 3.48Å; F577-I597 HydrophobicContact CE1-CD1 3.78Å; T595-I597 HydrophobicContact CG2-CG2 4.41Å; T595-I597 PolarHBondContact O-N 3.04Å
598	G	89.5	Confident	94.4	Very high	48 Å²	48	33.8 Å²	33.8	50%	0.495	18%	0.181	S	C	.	.	S	Bend	trans	123.4	-165.7	-179.5	0	0	0	0	0	112.4
599	Q	90.9	Very high	94.4	Very high	188 Å²	188	32.3 Å²	32.3	88%	0.879	17%	0.17	S	C	*	.	S	Bend	trans	-102	-7.9	-179.8	-63.6	-63.3	-36.6	0	0	112.9
600	K	93.2	Very high	94.3	Very high	144 Å²	144	29.9 Å²	29.9	63%	0.626	16%	0.158	S	C	*	.	S	Bend	trans	-119.2	152.9	179.7	-67.8	-171.9	177	-172.3	0	109.9
601	P	96.2	Very high	94	Very high	16 Å²	16	33.2 Å²	33.2	10%	0.104	17%	0.172	C	C	.	.			trans	-51.2	149.6	168.6	-21.7	31.9	0	0	0	111.9	L508 E510 D539	L508-P601 HydrophobicContact CD1-CB 4.05Å; L508-P601 HydrophobicContact CD1-CG 4.38Å; L508-P601 HydrophobicContact CD2-CB 4.19Å; L508-P601 HydrophobicContact CD2-CG 3.59Å; E510-P601 WeakPolarHBondContact OE1-CD 3.37Å; E510-P601 WeakPolarHBondContact OE1-CG 3.26Å; D539-P601 VanDerWaalsContact O-CA 3.24Å; D539-P601 WeakPolarHBondContact O-CA 3.45Å; D539-P601 WeakPolarHBondContact O-CB 3.2Å
602	A	96.6	Very high	93.6	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	147.3	167.8	0	0	0	0	0	109.4	A538 D539 E562 V565 T596 Y604	A538-A602 VanDerWaalsContact CA-O 3.28Å; A538-A602 WeakPolarHBondContact CA-O 3.41Å; D539-A602 PolarHBondContact N-O 3.44Å; D539-A602 PolarHBondContact O-N 3.09Å; E562-A602 CarbonylContact O-C 3.52Å; E562-A602 WeakPolarHBondContact O-CA 3.42Å; V565-A602 HydrophobicContact CG1-CB 3.67Å; T596-A602 HydrophobicContact CG2-CB 3.69Å; A602-Y604 HydrophobicContact CB-CD1 4.45Å
603	S	97.1	Very high	93	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	139.8	171.3	63.1	0	0	0	0	110.4	V537 L561 E562	V537-S603 VanDerWaalsContact O-CA 3.31Å; V537-S603 WeakPolarHBondContact O-CA 3.45Å; L561-S603 PolarHBondContact N-O 3.23Å; E562-S603 WeakPolarHBondContact CB-OG 3.36Å; E562-S603 PolarHBondContact N-O 2.92Å; E562-S603 VanDerWaalsContact N-O 3.09Å; E562-S603 PolarHBondContact N-OG 3.19Å; E562-S603 PolarHBondContact O-N 3.02Å
604	Y	96.9	Very high	92.4	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	164.4	-176	46	-90.6	0	0	0	109.6	V537 D539 L545 L558 T559 I560 V565 V594 A602 F606	V537-Y604 HydrophobicContact CB-CD2 3.89Å; V537-Y604 HydrophobicContact CB-CE2 3.52Å; V537-Y604 HydrophobicContact CG1-CD2 4.42Å; V537-Y604 HydrophobicContact CG1-CE2 3.59Å; V537-Y604 HydrophobicContact CG2-CE2 4.2Å; V537-Y604 PolarHBondContact N-O 3.28Å; V537-Y604 PolarHBondContact O-N 3.18Å; D539-Y604 HydrophobicContact CB-CE1 4.49Å; L545-Y604 HydrophobicContact CD2-CE2 3.86Å; L558-Y604 HydrophobicContact CD1-CD2 3.68Å; L558-Y604 HydrophobicContact CD1-CG 4.03Å; T559-Y604 CarbonylContact O-C 3.36Å; T559-Y604 VanDerWaalsContact O-CA 3.22Å; T559-Y604 WeakPolarHBondContact O-CA 3.38Å; T559-Y604 VanDerWaalsContact O-CB 3.3Å; T559-Y604 WeakPolarHBondContact O-CB 3.39Å; I560-Y604 HydrophobicContact CD1-CG 4.43Å; V565-Y604 HydrophobicContact CG1-CD1 4.01Å; V565-Y604 HydrophobicContact CG1-CE1 4.18Å; V594-Y604 HydrophobicContact CG1-CD1 4.42Å; V594-Y604 HydrophobicContact CG1-CE1 3.98Å; V594-Y604 HydrophobicContact CG1-CE2 4.13Å; A602-Y604 HydrophobicContact CB-CD1 4.45Å; Y604-F606 AromaticContact CD2-CE2 3.82Å; Y604-F606 HydrophobicContact CD2-CE2 3.82Å; Y604-F606 HydrophobicContact CD2-CZ 4.15Å; Y604-F606 AromaticContact CE2-CE2 3.68Å; Y604-F606 HydrophobicContact CE2-CE2 3.68Å; Y604-F606 HydrophobicContact CE2-CZ 4.01Å
605	L	96.4	Very high	91.8	Very high	8 Å²	8	45.2 Å²	45.2	4%	0.042	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	151.6	176.3	66.5	81.9	0	0	0	111	I521 V534 I535 F536 T559 L561 T607	I521-L605 HydrophobicContact CD1-CD2 4.28Å; I521-L605 HydrophobicContact CG2-CD2 3.8Å; V534-L605 HydrophobicContact CG2-CB 3.99Å; V534-L605 HydrophobicContact CG2-CD1 4.19Å; V534-L605 HydrophobicContact CG2-CD2 4.36Å; V534-L605 HydrophobicContact CG2-CG 4.43Å; I535-L605 CarbonylContact O-C 3.59Å; I535-L605 WeakPolarHBondContact O-CA 3.44Å; F536-L605 HydrophobicContact CD1-CB 3.8Å; F536-L605 HydrophobicContact CD1-CD2 4.29Å; F536-L605 HydrophobicContact CE1-CB 4.14Å; F536-L605 HydrophobicContact CE1-CD2 3.87Å; T559-L605 PolarHBondContact N-O 2.81Å; T559-L605 PolarHBondContact O-N 3.02Å; L561-L605 HydrophobicContact CD1-CB 4.46Å; L561-L605 HydrophobicContact CD1-CD2 4.22Å; L561-L605 HydrophobicContact CD2-CD2 3.92Å; L561-L605 HydrophobicContact CG-CD2 4.3Å; L605-T607 HydrophobicContact CD1-CG2 3.55Å
606	F	95.7	Very high	91	Very high	12 Å²	12	50.4 Å²	50.4	5%	0.053	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	126.9	165.9	-62.7	-84	0	0	0	108.5	V534 I535 V537 L545 T557 L558 L586 V594 Y604	V534-F606 CarbonylContact C-O 3.53Å; V534-F606 VanDerWaalsContact CA-O 3.31Å; V534-F606 WeakPolarHBondContact CA-O 3.27Å; I535-F606 HydrophobicContact CB-CB 4.45Å; I535-F606 PolarHBondContact N-O 2.9Å; I535-F606 PolarHBondContact O-N 3.03Å; V537-F606 HydrophobicContact CG2-CD2 4.04Å; V537-F606 HydrophobicContact CG2-CE2 3.97Å; L545-F606 HydrophobicContact CD2-CE2 3.74Å; L545-F606 HydrophobicContact CD2-CZ 3.89Å; T557-F606 VanDerWaalsContact O-CA 3.25Å; T557-F606 WeakPolarHBondContact O-CA 3.15Å; L558-F606 HydrophobicContact CB-CD1 4.36Å; L558-F606 HydrophobicContact CB-CE1 4.17Å; L558-F606 HydrophobicContact CD1-CD1 4.23Å; L558-F606 HydrophobicContact CD1-CE1 3.74Å; L558-F606 HydrophobicContact CD1-CE2 4.49Å; L558-F606 HydrophobicContact CD1-CZ 3.89Å; L558-F606 HydrophobicContact CG-CE1 4.41Å; L586-F606 HydrophobicContact CD1-CD1 3.62Å; L586-F606 HydrophobicContact CD1-CE1 3.72Å; V594-F606 HydrophobicContact CG2-CZ 4.25Å; Y604-F606 AromaticContact CD2-CE2 3.82Å; Y604-F606 HydrophobicContact CD2-CE2 3.82Å; Y604-F606 HydrophobicContact CD2-CZ 4.15Å; Y604-F606 AromaticContact CE2-CE2 3.68Å; Y604-F606 HydrophobicContact CE2-CE2 3.68Å; Y604-F606 HydrophobicContact CE2-CZ 4.01Å
607	T	95.9	Very high	89.7	Confident	9 Å²	9	52 Å²	52	6%	0.055	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	144.4	164.8	63.7	0	0	0	0	108.7	V525 W528 D533 V534 C556 T557 L605	V525-T607 HydrophobicContact CG1-CG2 4.44Å; V525-T607 HydrophobicContact CG2-CG2 3.99Å; W528-T607 HydrophobicContact CH2-CG2 4.15Å; W528-T607 HydrophobicContact CZ3-CG2 4.09Å; D533-T607 WeakPolarHBondContact O-CA 3.49Å; V534-T607 HydrophobicContact CG2-CG2 4.29Å; C556-T607 CarbonylContact C-O 3.5Å; C556-T607 VanDerWaalsContact CA-O 3.22Å; C556-T607 WeakPolarHBondContact CA-O 3.37Å; T557-T607 PolarHBondContact N-O 3.37Å; T557-T607 PolarHBondContact O-N 3.44Å; T557-T607 VanDerWaalsContact O-N 3.17Å; T557-T607 PolarHBondContact OG1-OG1 3.29Å; L605-T607 HydrophobicContact CD1-CG2 3.55Å
608	Y	94.4	Very high	88.5	Confident	42 Å²	42	53 Å²	53	17%	0.165	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	162.1	171.6	57.1	-94.9	0	0	0	110.5	S532 D533 I535 L553	S532-Y608 VanDerWaalsContact CA-O 3.29Å; S532-Y608 WeakPolarHBondContact CA-O 3.38Å; D533-Y608 HydrophobicContact CB-CD2 4.42Å; D533-Y608 HydrophobicContact CB-CE1 4.38Å; D533-Y608 HydrophobicContact CB-CE2 3.7Å; D533-Y608 PolarHBondContact N-O 3.26Å; D533-Y608 PolarHBondContact O-N 2.9Å; D533-Y608 VanDerWaalsContact O-N 3.11Å; D533-Y608 PolarHBondContact OD2-OH 3.34Å; I535-Y608 HydrophobicContact CD1-CE1 3.69Å; I535-Y608 HydrophobicContact CG1-CE1 3.96Å; L553-Y608 HydrophobicContact CD1-CG 4.36Å; L553-Y608 HydrophobicContact CD2-CD2 3.61Å; L553-Y608 HydrophobicContact CD2-CE2 4.08Å; L553-Y608 HydrophobicContact CD2-CG 4.18Å
609	T	91.8	Very high	87.1	Confident	8 Å²	8	52.1 Å²	52.1	5%	0.049	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	127.8	167.7	-54.2	0	0	0	0	108.5	Y531 S532 I554 K611 L614	Y531-T609 WeakPolarHBondContact O-CA 3.44Å; S532-T609 PolarHBondContact OG-OG1 3.1Å; S532-T609 VanDerWaalsContact OG-OG1 3.09Å; I554-T609 HydrophobicContact CG1-CG2 4.46Å; I554-T609 WeakPolarHBondContact CG1-O 3.32Å; I554-T609 PolarHBondContact N-O 3.49Å; I554-T609 PolarHBondContact O-N 3.01Å; T609-K611 PolarHBondContact O-N 3.36Å; T609-L614 HydrophobicContact CG2-CD1 4.13Å
610	N	88.7	Confident	85.4	Confident	41 Å²	41	48.1 Å²	48.1	22%	0.219	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	109.8	178.4	-171.1	-37.7	0	0	0	110.1	Y531 T612 M613 L614	Y531-N610 PolarHBondContact O-N 2.97Å; N610-T612 PolarHBondContact OD1-N 2.88Å; N610-T612 VanDerWaalsContact OD1-N 3.09Å; N610-M613 HydrophobicContact CB-CB 4.27Å; N610-M613 HydrophobicContact CB-CG 4.26Å; N610-M613 HydrophobicContact CB-SD 4.33Å; N610-M613 PolarHBondContact OD1-N 3.47Å; N610-M613 VanDerWaalsContact OD1-N 3.14Å; N610-L614 VanDerWaalsContact O-CB 3.31Å; N610-L614 WeakPolarHBondContact O-CB 3.45Å; N610-L614 PolarHBondContact O-N 3.07Å; N610-L614 VanDerWaalsContact O-N 3.15Å
611	K	87.2	Confident	83.2	Confident	75 Å²	75	49.3 Å²	49.3	33%	0.326	25%	0.253	S	S	.	.	H	α-helix	trans	-65.5	-43.1	-178.1	-176	-175.8	167.8	-172.4	0	111.6	D552 I554 T609 M613 L614 E615	D552-K611 WeakPolarHBondContact O-CB 3.3Å; D552-K611 PolarHBondContact O-N 2.88Å; I554-K611 HydrophobicContact CD1-CB 4.32Å; I554-K611 HydrophobicContact CD1-CG 4.47Å; I554-K611 HydrophobicContact CG1-CB 4.24Å; I554-K611 HydrophobicContact CG2-CB 4.09Å; I554-K611 HydrophobicContact CG2-CD 4.04Å; I554-K611 HydrophobicContact CG2-CG 4.38Å; T609-K611 PolarHBondContact O-N 3.36Å; K611-M613 PolarHBondContact O-N 3.07Å; K611-L614 PolarHBondContact O-N 3.25Å; K611-E615 VanDerWaalsContact CE-CD 3.47Å; K611-E615 WeakPolarHBondContact CE-OE1 3.28Å; K611-E615 HydrophobicContact CG-CG 4.23Å; K611-E615 IonicContact NZ-OE1 3.12Å; K611-E615 WeakPolarHBondContact O-CB 3.38Å; K611-E615 WeakPolarHBondContact O-CG 3.26Å; K611-E615 PolarHBondContact O-N 2.83Å
612	T	83.9	Confident	80.4	Confident	48 Å²	48	54.3 Å²	54.3	29%	0.294	28%	0.275	S	S	.	.	H	α-helix	trans	-62.1	-46	-176.9	-52.2	0	0	0	0	111.2	N610 L614 E615 Q616	N610-T612 PolarHBondContact OD1-N 2.88Å; N610-T612 VanDerWaalsContact OD1-N 3.09Å; T612-L614 VanDerWaalsContact C-N 3.34Å; T612-L614 PolarHBondContact O-N 3.44Å; T612-E615 PolarHBondContact O-N 3.2Å; T612-Q616 VanDerWaalsContact O-CB 3.3Å; T612-Q616 WeakPolarHBondContact O-CB 3.29Å; T612-Q616 VanDerWaalsContact O-CG 3.23Å; T612-Q616 WeakPolarHBondContact O-CG 3.47Å; T612-Q616 PolarHBondContact O-N 2.91Å
613	M	81.4	Confident	77.7	Confident	43 Å²	43	59.2 Å²	59.2	21%	0.212	31%	0.305	C	S	.	.	H	α-helix	trans	-66	-39.3	176.8	-64.3	-175	71	0	0	111.8	Y531 N610 K611 Q616 G617 I618 I620	Y531-M613 HydrophobicContact CD1-CB 3.54Å; Y531-M613 VanDerWaalsContact CE1-C 3.46Å; Y531-M613 HydrophobicContact CE1-CB 4.05Å; Y531-M613 WeakPolarHBondContact CE1-O 3.48Å; N610-M613 HydrophobicContact CB-CB 4.27Å; N610-M613 HydrophobicContact CB-CG 4.26Å; N610-M613 HydrophobicContact CB-SD 4.33Å; N610-M613 PolarHBondContact OD1-N 3.47Å; N610-M613 VanDerWaalsContact OD1-N 3.14Å; K611-M613 PolarHBondContact O-N 3.07Å; M613-Q616 PolarHBondContact O-N 2.77Å; M613-G617 PolarHBondContact O-N 3.4Å; M613-I618 HydrophobicContact CE-CB 4.49Å; M613-I618 HydrophobicContact CE-CG2 4.12Å; M613-I618 VanDerWaalsContact CE-O 3.26Å; M613-I618 WeakPolarHBondContact CE-O 3.31Å; M613-I618 PolarHBondContact O-N 2.75Å; M613-I620 HydrophobicContact CE-CG1 3.65Å
614	L	82.6	Confident	75.1	Confident	76 Å²	76	64 Å²	64	40%	0.398	33%	0.33	S	S	.	.	H	α-helix	trans	-64.5	-43.5	178	-179.2	135.3	0	0	0	112.4	Y531 T609 N610 K611 T612 G617	Y531-L614 HydrophobicContact CD1-CB 4.34Å; Y531-L614 HydrophobicContact CD2-CB 3.82Å; Y531-L614 HydrophobicContact CD2-CD1 3.7Å; Y531-L614 HydrophobicContact CD2-CG 4.01Å; Y531-L614 HydrophobicContact CE2-CB 4.16Å; Y531-L614 HydrophobicContact CE2-CD1 4.18Å; Y531-L614 HydrophobicContact CE2-CG 4.16Å; Y531-L614 HydrophobicContact CG-CB 3.89Å; Y531-L614 HydrophobicContact CG-CD1 4.41Å; T609-L614 HydrophobicContact CG2-CD1 4.13Å; N610-L614 VanDerWaalsContact O-CB 3.31Å; N610-L614 WeakPolarHBondContact O-CB 3.45Å; N610-L614 PolarHBondContact O-N 3.07Å; N610-L614 VanDerWaalsContact O-N 3.15Å; K611-L614 PolarHBondContact O-N 3.25Å; T612-L614 VanDerWaalsContact C-N 3.34Å; T612-L614 PolarHBondContact O-N 3.44Å; L614-G617 PolarHBondContact O-N 3.07Å
615	E	82.3	Confident	72.2	Confident	133 Å²	133	69.2 Å²	69.2	62%	0.621	36%	0.362	S	S	*	.	H	α-helix	trans	-70.2	-34.7	177.8	-73	-179.3	166.3	0	0	112.5	K611 T612 G617	K611-E615 VanDerWaalsContact CE-CD 3.47Å; K611-E615 WeakPolarHBondContact CE-OE1 3.28Å; K611-E615 HydrophobicContact CG-CG 4.23Å; K611-E615 IonicContact NZ-OE1 3.12Å; K611-E615 WeakPolarHBondContact O-CB 3.38Å; K611-E615 WeakPolarHBondContact O-CG 3.26Å; K611-E615 PolarHBondContact O-N 2.83Å; T612-E615 PolarHBondContact O-N 3.2Å; E615-G617 VanDerWaalsContact C-N 3.32Å
616	Q	79.4	Confident	69.7	Low	127 Å²	127	76.4 Å²	76.4	59%	0.593	40%	0.396	S	S	*	.	H	α-helix	trans	-84.6	-5.9	178.5	-65.6	175.6	-4.9	0	0	113.1	T612 M613 I618	T612-Q616 VanDerWaalsContact O-CB 3.3Å; T612-Q616 WeakPolarHBondContact O-CB 3.29Å; T612-Q616 VanDerWaalsContact O-CG 3.23Å; T612-Q616 WeakPolarHBondContact O-CG 3.47Å; T612-Q616 PolarHBondContact O-N 2.91Å; M613-Q616 PolarHBondContact O-N 2.77Å; Q616-I618 HydrophobicContact CB-CD1 3.74Å; Q616-I618 HydrophobicContact CB-CG1 3.69Å; Q616-I618 PolarHBondContact O-N 3.28Å
617	G	70.8	Confident	67.4	Low	36 Å²	36	85.4 Å²	85.4	37%	0.371	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.4	20.8	-176.7	0	0	0	0	0	113.7	Y531 M613 L614 E615 T619	Y531-G617 WeakPolarHBondContact OH-CA 3.42Å; M613-G617 PolarHBondContact O-N 3.4Å; L614-G617 PolarHBondContact O-N 3.07Å; E615-G617 VanDerWaalsContact C-N 3.32Å; G617-T619 PolarHBondContact O-N 2.97Å; G617-T619 VanDerWaalsContact O-N 3.13Å
618	I	67.6	Low	65.5	Low	58 Å²	58	93.7 Å²	93.7	30%	0.297	47%	0.468	S	S	.	.			trans	-79.6	99	-175.4	-61.3	175.2	0	0	0	108.3	Y531 M613 Q616	Y531-I618 VanDerWaalsContact CE1-O 3.23Å; Y531-I618 WeakPolarHBondContact CE1-O 3.17Å; M613-I618 HydrophobicContact CE-CB 4.49Å; M613-I618 HydrophobicContact CE-CG2 4.12Å; M613-I618 VanDerWaalsContact CE-O 3.26Å; M613-I618 WeakPolarHBondContact CE-O 3.31Å; M613-I618 PolarHBondContact O-N 2.75Å; Q616-I618 HydrophobicContact CB-CD1 3.74Å; Q616-I618 HydrophobicContact CB-CG1 3.69Å; Q616-I618 PolarHBondContact O-N 3.28Å
619	T	59.2	Low	63.9	Low	30 Å²	30	94.4 Å²	94.4	18%	0.184	48%	0.479	C	S	.	.			trans	-72.7	138.7	169.9	51.4	0	0	0	0	109.9	N530 G617 E621 Q622	N530-T619 HydrophobicContact CB-CG2 4.49Å; G617-T619 PolarHBondContact O-N 2.97Å; G617-T619 VanDerWaalsContact O-N 3.13Å; T619-E621 PolarHBondContact O-N 3.17Å; T619-E621 VanDerWaalsContact O-N 3.13Å; T619-Q622 WeakPolarHBondContact O-CB 3.37Å; T619-Q622 PolarHBondContact O-N 3.45Å; T619-Q622 VanDerWaalsContact OG1-CG 3.32Å; T619-Q622 WeakPolarHBondContact OG1-CG 3.34Å; T619-Q622 PolarHBondContact OG1-OE1 3.32Å
620	I	55.4	Low	63	Low	105 Å²	105	98.1 Å²	98.1	54%	0.538	50%	0.502	S	S	.	.	G	3₁₀ helix	trans	-55.8	-29.9	177.1	-63.1	168.6	0	0	0	110.6	M613 Q622 T623	M613-I620 HydrophobicContact CE-CG1 3.65Å; I620-Q622 PolarHBondContact O-N 2.89Å; I620-T623 PolarHBondContact O-OG1 3.34Å; I620-T623 VanDerWaalsContact O-OG1 3.13Å
621	E	48.2	Very low	62.6	Low	169 Å²	169	100.4 Å²	100.4	79%	0.79	51%	0.513	S	S	*	.	G	3₁₀ helix	trans	-67.8	-28	175.4	-67.6	-173.6	158.7	0	0	114.2	T619 T623 D624	T619-E621 PolarHBondContact O-N 3.17Å; T619-E621 VanDerWaalsContact O-N 3.13Å; E621-T623 VanDerWaalsContact C-N 3.3Å; E621-T623 PolarHBondContact O-N 3.37Å; E621-D624 PolarHBondContact O-N 2.82Å
622	Q	36.5	Very low	62.4	Low	121 Å²	121	98.5 Å²	98.5	57%	0.565	51%	0.509	S	S	*	.	G	3₁₀ helix	trans	-74.9	-17.6	-178.1	-88.7	175.5	-29.8	0	0	113.8	T619 I620 D624 T625	T619-Q622 WeakPolarHBondContact O-CB 3.37Å; T619-Q622 PolarHBondContact O-N 3.45Å; T619-Q622 VanDerWaalsContact OG1-CG 3.32Å; T619-Q622 WeakPolarHBondContact OG1-CG 3.34Å; T619-Q622 PolarHBondContact OG1-OE1 3.32Å; I620-Q622 PolarHBondContact O-N 2.89Å; Q622-D624 VanDerWaalsContact C-N 3.33Å; Q622-T625 PolarHBondContact O-OG1 2.85Å
623	T	40.4	Very low	62.5	Low	102 Å²	102	100.9 Å²	100.9	63%	0.626	52%	0.519	S	S	*	.	G	3₁₀ helix	trans	-78.5	-17.8	178.5	1	0	0	0	0	112.8	I620 E621	I620-T623 PolarHBondContact O-OG1 3.34Å; I620-T623 VanDerWaalsContact O-OG1 3.13Å; E621-T623 VanDerWaalsContact C-N 3.3Å; E621-T623 PolarHBondContact O-N 3.37Å
624	D	41.5	Very low	62.8	Low	101 Å²	101	106.8 Å²	106.8	54%	0.54	54%	0.539	S	S	.	.	S	Bend	trans	-106.6	6.2	178.7	-89.6	-35.4	0	0	0	113.9	E621 Q622 E626 R628	E621-D624 PolarHBondContact O-N 2.82Å; Q622-D624 VanDerWaalsContact C-N 3.33Å; D624-E626 PolarHBondContact O-N 3.22Å; D624-R628 IonicContact OD1-CZ 2.7Å; D624-R628 VanDerWaalsContact OD1-CZ 3.31Å; D624-R628 IonicContact OD1-NH1 3.79Å; D624-R628 PolarHBondContact OD1-NH1 3.35Å; D624-R628 IonicContact OD1-NH2 3.63Å; D624-R628 PolarHBondContact OD1-NH2 2.91Å
625	T	37.6	Very low	63	Low	109 Å²	109	109 Å²	109	67%	0.669	55%	0.548	S	S	*	.			trans	-84.6	26.2	171.3	40.4	0	0	0	0	114.4	Q622	Q622-T625 PolarHBondContact O-OG1 2.85Å
626	E	43.3	Very low	63.2	Low	159 Å²	159	105.3 Å²	105.3	74%	0.743	53%	0.531	S	S	*	.	S	Bend	trans	-72	126.5	149.4	-75.1	-166.9	161	0	0	106.6	D624 R628	D624-E626 PolarHBondContact O-N 3.22Å; E626-R628 PolarHBondContact O-N 3.16Å
627	E	47.2	Very low	63.7	Low	201 Å²	201	104.5 Å²	104.5	94%	0.939	53%	0.525	S	S	*	.			trans	-58.8	78.4	172	-75.5	-176.7	151.6	0	0	109.6	S629	E627-S629 PolarHBondContact O-N 3.32Å
628	R	55.7	Low	64.8	Low	184 Å²	184	107.2 Å²	107.2	69%	0.694	53%	0.528	S	S	*	.			trans	-61.4	111.6	172.8	-78.1	-173.3	-177.2	141.8	14.1	105.9	D624 E626 V630	D624-R628 IonicContact OD1-CZ 2.7Å; D624-R628 VanDerWaalsContact OD1-CZ 3.31Å; D624-R628 IonicContact OD1-NH1 3.79Å; D624-R628 PolarHBondContact OD1-NH1 3.35Å; D624-R628 IonicContact OD1-NH2 3.63Å; D624-R628 PolarHBondContact OD1-NH2 2.91Å; E626-R628 PolarHBondContact O-N 3.16Å; R628-V630 PolarHBondContact O-N 2.86Å
629	S	62.2	Low	65.8	Low	56 Å²	56	110 Å²	110	39%	0.392	54%	0.539	S	S	.	.			trans	-55.3	129.5	179.6	67.4	0	0	0	0	108.8	E627 L631 P632	E627-S629 PolarHBondContact O-N 3.32Å; S629-L631 PolarHBondContact O-N 2.97Å; S629-P632 WeakPolarHBondContact O-CD 3.49Å; S629-P632 VanDerWaalsContact OG-CA 3.22Å; S629-P632 WeakPolarHBondContact OG-CA 3.4Å; S629-P632 VanDerWaalsContact OG-CB 3.27Å; S629-P632 WeakPolarHBondContact OG-CB 3.4Å
630	V	71.9	Confident	67.4	Low	87 Å²	87	111.6 Å²	111.6	53%	0.527	54%	0.542	S	S	.	.	S	Bend	trans	-54.6	-31.2	-175.4	-179.7	0	0	0	0	111.8	W251 R628	W251-V630 HydrophobicContact CB-CG1 4.22Å; W251-V630 HydrophobicContact CD2-CG1 3.43Å; W251-V630 VanDerWaalsContact CD2-CG1 3.43Å; W251-V630 VanDerWaalsContact CE2-O 3.31Å; W251-V630 HydrophobicContact CE3-CG1 3.68Å; W251-V630 HydrophobicContact CG-CG1 3.69Å; W251-V630 HydrophobicContact CZ2-CG1 4.39Å; W251-V630 HydrophobicContact CZ3-CG1 4.27Å; W251-V630 PolarHBondContact NE1-O 3.03Å; W251-V630 VanDerWaalsContact NE1-O 3.11Å; R628-V630 PolarHBondContact O-N 2.86Å
631	L	80.7	Confident	69.2	Low	88 Å²	88	109.2 Å²	109.2	46%	0.461	53%	0.533	S	S	.	.			trans	-135	89.1	175.1	-72.1	172.9	0	0	0	109.8	W251 S629 L633	W251-L631 HydrophobicContact CH2-CD2 3.84Å; W251-L631 HydrophobicContact CH2-CG 4.39Å; W251-L631 HydrophobicContact CZ2-CD2 3.6Å; W251-L631 HydrophobicContact CZ2-CG 4.3Å; S629-L631 PolarHBondContact O-N 2.97Å; L631-L633 HydrophobicContact CB-CG 4.19Å; L631-L633 PolarHBondContact O-N 3.3Å
632	P	82.3	Confident	71.4	Confident	35 Å²	35	104.1 Å²	104.1	23%	0.227	51%	0.513	C	S	.	.			trans	-77.3	42.5	-178.6	31.9	-32	0	0	0	112.1	S629 W634 Q635 E636	S629-P632 WeakPolarHBondContact O-CD 3.49Å; S629-P632 VanDerWaalsContact OG-CA 3.22Å; S629-P632 WeakPolarHBondContact OG-CA 3.4Å; S629-P632 VanDerWaalsContact OG-CB 3.27Å; S629-P632 WeakPolarHBondContact OG-CB 3.4Å; P632-W634 PolarHBondContact O-N 3.37Å; P632-W634 VanDerWaalsContact O-N 3.13Å; P632-Q635 HydrophobicContact CB-CB 4.18Å; P632-Q635 PolarHBondContact O-N 2.98Å; P632-E636 HydrophobicContact CG-CG 4.38Å; P632-E636 PolarHBondContact O-N 3.5Å
633	L	86.1	Confident	74.1	Confident	99 Å²	99	99.3 Å²	99.3	52%	0.518	49%	0.491	S	S	.	.	H	α-helix	trans	-56.8	-37.8	-170.6	-63.6	175.5	0	0	0	112.8	L631 F637	L631-L633 HydrophobicContact CB-CG 4.19Å; L631-L633 PolarHBondContact O-N 3.3Å; L633-F637 VanDerWaalsContact O-CB 3.26Å; L633-F637 WeakPolarHBondContact O-CB 3.34Å; L633-F637 PolarHBondContact O-N 3.4Å
634	W	87.6	Confident	76.7	Confident	166 Å²	166	97.2 Å²	97.2	63%	0.629	47%	0.472	S	S	*	.	H	α-helix	trans	-72.9	-40.2	178.3	-173.1	-106.4	0	0	0	112.4	P632 F637 Q638	P632-W634 PolarHBondContact O-N 3.37Å; P632-W634 VanDerWaalsContact O-N 3.13Å; W634-F637 HydrophobicContact CE3-CD1 4.04Å; W634-F637 HydrophobicContact CH2-CD1 4.22Å; W634-F637 HydrophobicContact CH2-CE1 4.25Å; W634-F637 AromaticContact CZ3-CD1 3.76Å; W634-F637 HydrophobicContact CZ3-CD1 3.76Å; W634-F637 HydrophobicContact CZ3-CE1 4.04Å; W634-F637 PolarHBondContact O-N 3.46Å; W634-Q638 HydrophobicContact CZ2-CG 4.49Å; W634-Q638 WeakPolarHBondContact O-CB 3.1Å; W634-Q638 VanDerWaalsContact O-CG 3.28Å; W634-Q638 WeakPolarHBondContact O-CG 3.41Å; W634-Q638 PolarHBondContact O-N 3.09Å
635	Q	87.3	Confident	79.3	Confident	123 Å²	123	98.3 Å²	98.3	58%	0.575	47%	0.474	S	S	*	.	H	α-helix	trans	-66	-42.9	175.3	-66.8	172.9	-12.6	0	0	110.9	P632 Q638 H639	P632-Q635 HydrophobicContact CB-CB 4.18Å; P632-Q635 PolarHBondContact O-N 2.98Å; Q635-Q638 PolarHBondContact O-N 3.16Å; Q635-H639 WeakPolarHBondContact O-CB 3.32Å; Q635-H639 PolarHBondContact O-N 2.63Å
636	E	87	Confident	82.1	Confident	56 Å²	56	97.4 Å²	97.4	26%	0.262	46%	0.462	S	S	.	.	H	α-helix	trans	-56	-53.6	171.3	-75.1	175.8	-152.3	0	0	109.8	R307 P632 Q638 H639 R640	R307-E636 IonicContact CZ-OE1 3.9Å; R307-E636 IonicContact CZ-OE2 3.81Å; R307-E636 VanDerWaalsContact NH1-CD 3.33Å; R307-E636 IonicContact NH1-OE1 3.07Å; R307-E636 PolarHBondContact NH1-OE1 3.47Å; R307-E636 IonicContact NH1-OE2 3.09Å; R307-E636 PolarHBondContact NH1-OE2 2.94Å; R307-E636 IonicContact NH2-OE1 3.05Å; R307-E636 IonicContact NH2-OE2 3.78Å; R307-E636 PolarHBondContact NH2-OE2 3.37Å; P632-E636 HydrophobicContact CG-CG 4.38Å; P632-E636 PolarHBondContact O-N 3.5Å; E636-Q638 VanDerWaalsContact C-N 3.34Å; E636-Q638 PolarHBondContact O-N 3.39Å; E636-H639 PolarHBondContact O-N 2.72Å; E636-R640 VanDerWaalsContact O-CG 3.25Å; E636-R640 WeakPolarHBondContact O-CG 3.48Å; E636-R640 PolarHBondContact O-N 2.74Å
637	F	90.3	Very high	84.6	Confident	110 Å²	110	89.9 Å²	89.9	48%	0.482	43%	0.427	S	S	.	.	H	α-helix	trans	-57.3	-45.4	178.8	177.3	-102.6	0	0	0	112.4	L633 W634 R640 V641	L633-F637 VanDerWaalsContact O-CB 3.26Å; L633-F637 WeakPolarHBondContact O-CB 3.34Å; L633-F637 PolarHBondContact O-N 3.4Å; W634-F637 HydrophobicContact CE3-CD1 4.04Å; W634-F637 HydrophobicContact CH2-CD1 4.22Å; W634-F637 HydrophobicContact CH2-CE1 4.25Å; W634-F637 AromaticContact CZ3-CD1 3.76Å; W634-F637 HydrophobicContact CZ3-CD1 3.76Å; W634-F637 HydrophobicContact CZ3-CE1 4.04Å; W634-F637 PolarHBondContact O-N 3.46Å; F637-R640 PolarHBondContact O-N 3.16Å; F637-V641 HydrophobicContact CD1-CG2 4.26Å; F637-V641 HydrophobicContact CD2-CG2 4.4Å; F637-V641 HydrophobicContact CE1-CG2 3.82Å; F637-V641 HydrophobicContact CE2-CG2 3.97Å; F637-V641 HydrophobicContact CZ-CG2 3.66Å; F637-V641 VanDerWaalsContact O-CG2 3.3Å; F637-V641 WeakPolarHBondContact O-CG2 3.43Å; F637-V641 PolarHBondContact O-N 3.27Å
638	Q	92.3	Very high	87	Confident	93 Å²	93	83.9 Å²	83.9	44%	0.435	40%	0.401	S	S	.	.	H	α-helix	trans	-59.3	-47.2	175.8	-77.4	179.5	-34.8	0	0	111.4	W634 Q635 E636 R640 V641 T642	W634-Q638 HydrophobicContact CZ2-CG 4.49Å; W634-Q638 WeakPolarHBondContact O-CB 3.1Å; W634-Q638 VanDerWaalsContact O-CG 3.28Å; W634-Q638 WeakPolarHBondContact O-CG 3.41Å; W634-Q638 PolarHBondContact O-N 3.09Å; Q635-Q638 PolarHBondContact O-N 3.16Å; E636-Q638 VanDerWaalsContact C-N 3.34Å; E636-Q638 PolarHBondContact O-N 3.39Å; Q638-R640 PolarHBondContact O-N 2.92Å; Q638-V641 PolarHBondContact O-N 3.47Å; Q638-T642 PolarHBondContact O-N 3.48Å; Q638-T642 PolarHBondContact O-OG1 3.49Å; Q638-T642 VanDerWaalsContact O-OG1 3.07Å
639	H	89.8	Confident	88.9	Confident	115 Å²	115	76.7 Å²	76.7	53%	0.532	38%	0.384	S	S	.	.	H	α-helix	trans	-59.6	-44.9	177.1	-178.3	68.6	0	0	0	111.9	Q635 E636 V641 T642 N643	Q635-H639 WeakPolarHBondContact O-CB 3.32Å; Q635-H639 PolarHBondContact O-N 2.63Å; E636-H639 PolarHBondContact O-N 2.72Å; H639-V641 VanDerWaalsContact C-N 3.35Å; H639-V641 PolarHBondContact O-N 3.34Å; H639-T642 PolarHBondContact O-N 3.05Å; H639-N643 PolarHBondContact CD2-ND2 3.32Å; H639-N643 PolarHBondContact CE1-ND2 2.88Å; H639-N643 PolarHBondContact CE1-OD1 2.99Å; H639-N643 PolarHBondContact NE2-ND2 3.13Å; H639-N643 VanDerWaalsContact O-CG 3.31Å; H639-N643 PolarHBondContact O-N 2.93Å
640	R	91.9	Very high	90.5	Very high	65 Å²	65	75 Å²	75	25%	0.245	37%	0.37	C	S	.	.	H	α-helix	trans	-60.2	-44.3	175.2	-62.2	-172.6	178.3	-93.6	-8.2	111.6	I94 E98 E636 F637 Q638 N643 Y644	I94-R640 VanDerWaalsContact CG2-NH1 3.32Å; E98-R640 WeakPolarHBondContact OE1-CB 3.35Å; E98-R640 VanDerWaalsContact OE1-CD 3.27Å; E98-R640 WeakPolarHBondContact OE1-CD 3.48Å; E98-R640 WeakPolarHBondContact OE1-CG 3.35Å; E98-R640 IonicContact OE1-CZ 2.91Å; E98-R640 IonicContact OE1-NE 3.55Å; E98-R640 IonicContact OE1-NH1 3.41Å; E98-R640 PolarHBondContact OE1-NH1 3.31Å; E98-R640 IonicContact OE2-CZ 3.75Å; E98-R640 IonicContact OE2-NH1 3.68Å; E98-R640 PolarHBondContact OE2-NH1 2.88Å; E98-R640 IonicContact OE2-NH2 2.9Å; E636-R640 VanDerWaalsContact O-CG 3.25Å; E636-R640 WeakPolarHBondContact O-CG 3.48Å; E636-R640 PolarHBondContact O-N 2.74Å; F637-R640 PolarHBondContact O-N 3.16Å; Q638-R640 PolarHBondContact O-N 2.92Å; R640-N643 PolarHBondContact O-N 3.47Å; R640-Y644 VanDerWaalsContact O-CB 3.32Å; R640-Y644 WeakPolarHBondContact O-CB 3.32Å; R640-Y644 PolarHBondContact O-N 3.44Å
641	V	94.4	Very high	91.7	Very high	55 Å²	55	71.4 Å²	71.4	33%	0.333	35%	0.347	S	S	.	.	H	α-helix	trans	-62.8	-44.2	176.7	170.4	0	0	0	0	110.9	F637 Q638 H639 Y644 Q645	F637-V641 HydrophobicContact CD1-CG2 4.26Å; F637-V641 HydrophobicContact CD2-CG2 4.4Å; F637-V641 HydrophobicContact CE1-CG2 3.82Å; F637-V641 HydrophobicContact CE2-CG2 3.97Å; F637-V641 HydrophobicContact CZ-CG2 3.66Å; F637-V641 VanDerWaalsContact O-CG2 3.3Å; F637-V641 WeakPolarHBondContact O-CG2 3.43Å; F637-V641 PolarHBondContact O-N 3.27Å; Q638-V641 PolarHBondContact O-N 3.47Å; H639-V641 VanDerWaalsContact C-N 3.35Å; H639-V641 PolarHBondContact O-N 3.34Å; V641-Y644 PolarHBondContact O-N 2.93Å; V641-Q645 HydrophobicContact CG1-CG 4.37Å; V641-Q645 WeakPolarHBondContact O-CB 3.47Å; V641-Q645 VanDerWaalsContact O-CG 3.29Å; V641-Q645 WeakPolarHBondContact O-CG 3.45Å; V641-Q645 PolarHBondContact O-N 2.86Å
642	T	94.3	Very high	92.4	Very high	62 Å²	62	68.6 Å²	68.6	38%	0.38	34%	0.34	S	S	.	.	H	α-helix	trans	-61.2	-48.5	177	-62.4	0	0	0	0	111.5	Q638 H639 Y644 Q645 Q646	Q638-T642 PolarHBondContact O-N 3.48Å; Q638-T642 PolarHBondContact O-OG1 3.49Å; Q638-T642 VanDerWaalsContact O-OG1 3.07Å; H639-T642 PolarHBondContact O-N 3.05Å; T642-Y644 VanDerWaalsContact C-N 3.26Å; T642-Y644 PolarHBondContact O-N 2.89Å; T642-Q645 WeakPolarHBondContact O-CB 3.33Å; T642-Q645 PolarHBondContact O-N 3.19Å; T642-Q645 VanDerWaalsContact O-N 3.16Å; T642-Q646 WeakPolarHBondContact O-CG 3.37Å; T642-Q646 PolarHBondContact O-N 3.39Å
643	N	92.6	Very high	93	Very high	19 Å²	19	70 Å²	70	10%	0.102	35%	0.345	C	S	.	.	H	α-helix	trans	-60.4	-38.7	176.7	-69.4	-7	0	0	0	111.5	H639 R640 Q646 F647	H639-N643 PolarHBondContact CD2-ND2 3.32Å; H639-N643 PolarHBondContact CE1-ND2 2.88Å; H639-N643 PolarHBondContact CE1-OD1 2.99Å; H639-N643 PolarHBondContact NE2-ND2 3.13Å; H639-N643 VanDerWaalsContact O-CG 3.31Å; H639-N643 PolarHBondContact O-N 2.93Å; R640-N643 PolarHBondContact O-N 3.47Å; N643-Q646 PolarHBondContact O-N 3.38Å; N643-F647 WeakPolarHBondContact O-CB 3.45Å; N643-F647 PolarHBondContact O-N 3.39Å
644	Y	95.8	Very high	93.5	Very high	58 Å²	58	65.3 Å²	65.3	23%	0.227	32%	0.321	C	S	.	.	H	α-helix	trans	-70	-36.3	177.7	-150.3	-86	0	0	0	112.4	L93 A97 W139 R640 V641 T642 F647 L648	L93-Y644 WeakPolarHBondContact O-CE2 3.46Å; A97-Y644 HydrophobicContact CB-CD2 3.5Å; A97-Y644 VanDerWaalsContact CB-CD2 3.5Å; A97-Y644 HydrophobicContact CB-CE2 4.04Å; A97-Y644 HydrophobicContact CB-CG 4.25Å; W139-Y644 AromaticContact NE1-CZ 3.64Å; W139-Y644 PolarHBondContact NE1-OH 2.69Å; R640-Y644 VanDerWaalsContact O-CB 3.32Å; R640-Y644 WeakPolarHBondContact O-CB 3.32Å; R640-Y644 PolarHBondContact O-N 3.44Å; V641-Y644 PolarHBondContact O-N 2.93Å; T642-Y644 VanDerWaalsContact C-N 3.26Å; T642-Y644 PolarHBondContact O-N 2.89Å; Y644-F647 PolarHBondContact O-N 3.09Å; Y644-L648 HydrophobicContact CD1-CD1 3.9Å; Y644-L648 HydrophobicContact CD1-CG 4.09Å; Y644-L648 HydrophobicContact CE1-CD1 3.98Å; Y644-L648 HydrophobicContact CE1-CD2 4.41Å; Y644-L648 HydrophobicContact CE1-CG 4.18Å; Y644-L648 WeakPolarHBondContact O-CG 3.34Å; Y644-L648 PolarHBondContact O-N 2.56Å
645	Q	96.2	Very high	93.9	Very high	125 Å²	125	60.2 Å²	60.2	58%	0.584	31%	0.306	S	S	*	.	H	α-helix	trans	-64.3	-44.6	172.5	-75.4	172.7	-11.4	0	0	111.2	V641 T642 L648 G649	V641-Q645 HydrophobicContact CG1-CG 4.37Å; V641-Q645 WeakPolarHBondContact O-CB 3.47Å; V641-Q645 VanDerWaalsContact O-CG 3.29Å; V641-Q645 WeakPolarHBondContact O-CG 3.45Å; V641-Q645 PolarHBondContact O-N 2.86Å; T642-Q645 WeakPolarHBondContact O-CB 3.33Å; T642-Q645 PolarHBondContact O-N 3.19Å; T642-Q645 VanDerWaalsContact O-N 3.16Å; Q645-L648 PolarHBondContact O-N 3.26Å; Q645-G649 PolarHBondContact O-N 2.71Å
646	Q	95.3	Very high	94.3	Very high	89 Å²	89	58.3 Å²	58.3	42%	0.416	30%	0.298	S	S	.	.	H	α-helix	trans	-58.4	-49.9	173.6	-73.7	172.6	-22.2	0	0	110.6	T642 N643 L648 G649 H650	T642-Q646 WeakPolarHBondContact O-CG 3.37Å; T642-Q646 PolarHBondContact O-N 3.39Å; N643-Q646 PolarHBondContact O-N 3.38Å; Q646-L648 PolarHBondContact O-N 2.8Å; Q646-G649 CarbonylContact O-C 3.45Å; Q646-G649 WeakPolarHBondContact O-CA 3.33Å; Q646-G649 PolarHBondContact O-N 2.86Å; Q646-H650 VanDerWaalsContact C-CD2 3.44Å; Q646-H650 PolarHBondContact O-CD2 2.81Å; Q646-H650 PolarHBondContact O-N 3Å
647	F	96.7	Very high	94.7	Very high	1 Å²	1	60.1 Å²	60.1	0%	0.004	30%	0.303	C	S	.	.	H	α-helix	trans	-51.8	-53.4	175.8	170	-120.4	0	0	0	112.2	I96 A97 G102 Y135 W139 N643 Y644 G649 H650 I651	I96-F647 HydrophobicContact CG2-CE1 4.39Å; I96-F647 HydrophobicContact CG2-CE2 4.26Å; I96-F647 HydrophobicContact CG2-CZ 3.91Å; A97-F647 HydrophobicContact CB-CB 4Å; A97-F647 HydrophobicContact CB-CD1 4.06Å; A97-F647 HydrophobicContact CB-CG 4.09Å; G102-F647 WeakPolarHBondContact O-CD2 3.14Å; Y135-F647 AromaticContact CD1-CE2 3.98Å; Y135-F647 HydrophobicContact CD1-CE2 3.98Å; Y135-F647 HydrophobicContact CG-CE2 4.4Å; W139-F647 HydrophobicContact CB-CE1 4.34Å; W139-F647 HydrophobicContact CB-CZ 4.03Å; W139-F647 AromaticContact CD1-CE1 3.63Å; W139-F647 HydrophobicContact CD2-CE1 4.32Å; W139-F647 AromaticContact CG-CE1 3.86Å; W139-F647 HydrophobicContact CG-CE1 3.86Å; W139-F647 HydrophobicContact CG-CZ 4.06Å; W139-F647 AromaticContact NE1-CE1 3.93Å; N643-F647 WeakPolarHBondContact O-CB 3.45Å; N643-F647 PolarHBondContact O-N 3.39Å; Y644-F647 PolarHBondContact O-N 3.09Å; F647-G649 VanDerWaalsContact C-N 3.27Å; F647-G649 PolarHBondContact O-N 2.69Å; F647-H650 PolarHBondContact O-N 3.19Å; F647-I651 HydrophobicContact CD2-CG1 4.1Å; F647-I651 HydrophobicContact CE2-CD1 3.83Å; F647-I651 HydrophobicContact CE2-CG1 3.67Å; F647-I651 HydrophobicContact CZ-CD1 4.26Å; F647-I651 HydrophobicContact CZ-CG1 3.95Å; F647-I651 WeakPolarHBondContact O-CG1 3.14Å; F647-I651 PolarHBondContact O-N 2.84Å
648	L	96.8	Very high	94.9	Very high	76 Å²	76	58.3 Å²	58.3	40%	0.398	30%	0.298	S	S	.	.	H	α-helix	trans	-63.4	-34.6	177.8	-66.9	177.9	0	0	0	112.4	W139 Y644 Q645 Q646 I651 G652	W139-L648 HydrophobicContact CH2-CD2 4.26Å; W139-L648 HydrophobicContact CZ2-CD2 4.13Å; Y644-L648 HydrophobicContact CD1-CD1 3.9Å; Y644-L648 HydrophobicContact CD1-CG 4.09Å; Y644-L648 HydrophobicContact CE1-CD1 3.98Å; Y644-L648 HydrophobicContact CE1-CD2 4.41Å; Y644-L648 HydrophobicContact CE1-CG 4.18Å; Y644-L648 WeakPolarHBondContact O-CG 3.34Å; Y644-L648 PolarHBondContact O-N 2.56Å; Q645-L648 PolarHBondContact O-N 3.26Å; Q646-L648 PolarHBondContact O-N 2.8Å; L648-I651 PolarHBondContact O-N 3.16Å; L648-G652 PolarHBondContact O-N 2.8Å
649	G	96	Very high	95.1	Very high	32 Å²	32	59.6 Å²	59.6	33%	0.33	31%	0.307	S	S	.	.	H	α-helix	trans	-60.9	-47.8	172.8	0	0	0	0	0	112.5	Q645 Q646 F647 I651 G652 N653	Q645-G649 PolarHBondContact O-N 2.71Å; Q646-G649 CarbonylContact O-C 3.45Å; Q646-G649 WeakPolarHBondContact O-CA 3.33Å; Q646-G649 PolarHBondContact O-N 2.86Å; F647-G649 VanDerWaalsContact C-N 3.27Å; F647-G649 PolarHBondContact O-N 2.69Å; G649-I651 PolarHBondContact O-N 3.13Å; G649-G652 PolarHBondContact O-N 2.88Å; G649-N653 WeakPolarHBondContact O-CB 3.26Å; G649-N653 VanDerWaalsContact O-CG 3.23Å; G649-N653 PolarHBondContact O-N 3.26Å; G649-N653 PolarHBondContact O-ND2 3.28Å
650	H	95.4	Very high	95.4	Very high	21 Å²	21	61.9 Å²	61.9	10%	0.097	31%	0.312	C	S	.	.	H	α-helix	trans	-60.3	-46.2	176	-64	-61.1	0	0	0	111.5	G103 L105 D106 Y128 Q646 F647 G652 N653 C654	G103-H650 PolarHBondContact O-NE2 2.96Å; L105-H650 HydrophobicContact CB-CB 4.18Å; L105-H650 HydrophobicContact CD2-CB 4.07Å; D106-H650 IonicContact OD1-CE1 3.81Å; D106-H650 IonicContact OD1-NE2 3.38Å; D106-H650 IonicContact OD2-CE1 3.51Å; D106-H650 PolarHBondContact OD2-CE1 3.23Å; Y128-H650 PolarHBondContact OH-ND1 2.72Å; Q646-H650 VanDerWaalsContact C-CD2 3.44Å; Q646-H650 PolarHBondContact O-CD2 2.81Å; Q646-H650 PolarHBondContact O-N 3Å; F647-H650 PolarHBondContact O-N 3.19Å; H650-G652 VanDerWaalsContact C-N 3.35Å; H650-G652 PolarHBondContact O-N 2.72Å; H650-N653 PolarHBondContact O-N 3.45Å; H650-C654 WeakPolarHBondContact O-CB 3.49Å; H650-C654 PolarHBondContact O-N 3.45Å; H650-C654 PolarHBondContact O-SG 2.97Å
651	I	96.5	Very high	95.4	Very high	11 Å²	11	65 Å²	65	6%	0.056	33%	0.334	C	S	.	.	H	α-helix	trans	-60	-46.1	176.3	-62.5	-63.4	0	0	0	111	G132 L136 F647 L648 G649 C654 L655	G132-I651 WeakPolarHBondContact O-CD1 3.46Å; L136-I651 HydrophobicContact CB-CD1 4.24Å; L136-I651 HydrophobicContact CB-CG2 4.17Å; L136-I651 HydrophobicContact CD1-CG2 4.06Å; L136-I651 HydrophobicContact CD2-CG2 4.39Å; L136-I651 HydrophobicContact CG-CG2 4.43Å; F647-I651 HydrophobicContact CD2-CG1 4.1Å; F647-I651 HydrophobicContact CE2-CD1 3.83Å; F647-I651 HydrophobicContact CE2-CG1 3.67Å; F647-I651 HydrophobicContact CZ-CD1 4.26Å; F647-I651 HydrophobicContact CZ-CG1 3.95Å; F647-I651 WeakPolarHBondContact O-CG1 3.14Å; F647-I651 PolarHBondContact O-N 2.84Å; L648-I651 PolarHBondContact O-N 3.16Å; G649-I651 PolarHBondContact O-N 3.13Å; I651-C654 PolarHBondContact O-N 3.3Å; I651-L655 HydrophobicContact CG2-CD1 4.1Å; I651-L655 HydrophobicContact CG2-CG 4.47Å; I651-L655 WeakPolarHBondContact O-CG 3.37Å; I651-L655 PolarHBondContact O-N 3.46Å
652	G	95.9	Very high	95.4	Very high	29 Å²	29	65.7 Å²	65.7	30%	0.299	34%	0.338	S	S	.	.	H	α-helix	trans	-58.1	-48.2	176.5	0	0	0	0	0	112.2	L648 G649 H650 C654 L655 M656	L648-G652 PolarHBondContact O-N 2.8Å; G649-G652 PolarHBondContact O-N 2.88Å; H650-G652 VanDerWaalsContact C-N 3.35Å; H650-G652 PolarHBondContact O-N 2.72Å; G652-C654 PolarHBondContact O-N 2.91Å; G652-L655 PolarHBondContact O-N 3.18Å; G652-M656 WeakPolarHBondContact O-CB 3.46Å; G652-M656 VanDerWaalsContact O-CG 3.28Å; G652-M656 WeakPolarHBondContact O-CG 3.48Å; G652-M656 PolarHBondContact O-N 2.89Å
653	N	95.3	Very high	95.1	Very high	65 Å²	65	68.6 Å²	68.6	35%	0.348	36%	0.356	S	S	.	.	H	α-helix	trans	-61.6	-43.2	178	-69.5	-20.3	0	0	0	111.9	G649 H650 L655 M656 Y657	G649-N653 WeakPolarHBondContact O-CB 3.26Å; G649-N653 VanDerWaalsContact O-CG 3.23Å; G649-N653 PolarHBondContact O-N 3.26Å; G649-N653 PolarHBondContact O-ND2 3.28Å; H650-N653 PolarHBondContact O-N 3.45Å; N653-L655 PolarHBondContact O-N 3.43Å; N653-M656 PolarHBondContact O-N 3.36Å; N653-Y657 WeakPolarHBondContact O-CB 3.29Å; N653-Y657 PolarHBondContact O-N 3.32Å
654	C	95.8	Very high	94.9	Very high	1 Å²	1	69.3 Å²	69.3	1%	0.007	36%	0.359	C	S	.	.	H	α-helix	trans	-61.8	-44.3	176.8	-66.4	0	0	0	0	111.8	Y128 P129 H650 I651 G652 Y657 L658	Y128-C654 VanDerWaalsContact CE1-SG 3.58Å; P129-C654 HydrophobicContact CB-CB 4.49Å; H650-C654 WeakPolarHBondContact O-CB 3.49Å; H650-C654 PolarHBondContact O-N 3.45Å; H650-C654 PolarHBondContact O-SG 2.97Å; I651-C654 PolarHBondContact O-N 3.3Å; G652-C654 PolarHBondContact O-N 2.91Å; C654-Y657 PolarHBondContact O-N 3.39Å; C654-L658 WeakPolarHBondContact O-CB 3.3Å; C654-L658 VanDerWaalsContact O-CG 3.29Å; C654-L658 WeakPolarHBondContact O-CG 3.45Å; C654-L658 PolarHBondContact O-N 3.37Å
655	L	95.8	Very high	94.4	Very high	58 Å²	58	70.6 Å²	70.6	30%	0.304	37%	0.374	S	S	.	.	H	α-helix	trans	-66.8	-41.6	177.8	-69.9	175.6	0	0	0	112.2	L136 I651 G652 N653 Y657 L658 L659	L136-L655 HydrophobicContact CD2-CD1 4.03Å; L136-L655 HydrophobicContact CD2-CD2 4.06Å; L136-L655 HydrophobicContact CD2-CG 4.46Å; I651-L655 HydrophobicContact CG2-CD1 4.1Å; I651-L655 HydrophobicContact CG2-CG 4.47Å; I651-L655 WeakPolarHBondContact O-CG 3.37Å; I651-L655 PolarHBondContact O-N 3.46Å; G652-L655 PolarHBondContact O-N 3.18Å; N653-L655 PolarHBondContact O-N 3.43Å; L655-Y657 VanDerWaalsContact C-N 3.33Å; L655-L658 PolarHBondContact O-N 3.14Å; L655-L659 VanDerWaalsContact O-CB 3.29Å; L655-L659 WeakPolarHBondContact O-CB 3.28Å; L655-L659 VanDerWaalsContact O-CG 3.3Å; L655-L659 WeakPolarHBondContact O-CG 3.38Å; L655-L659 PolarHBondContact O-N 3.25Å
656	M	96.1	Very high	93.5	Very high	83 Å²	83	72.8 Å²	72.8	41%	0.409	39%	0.385	S	S	.	.	H	α-helix	trans	-65.4	-37.6	177.8	-71.6	-60.6	-64	0	0	111.9	G652 N653 Y660 D661 V662	G652-M656 WeakPolarHBondContact O-CB 3.46Å; G652-M656 VanDerWaalsContact O-CG 3.28Å; G652-M656 WeakPolarHBondContact O-CG 3.48Å; G652-M656 PolarHBondContact O-N 2.89Å; N653-M656 PolarHBondContact O-N 3.36Å; M656-Y660 HydrophobicContact CE-CD2 3.63Å; M656-Y660 HydrophobicContact CE-CE2 4.17Å; M656-Y660 HydrophobicContact CE-CG 4.4Å; M656-Y660 CarbonylContact O-C 3.54Å; M656-Y660 WeakPolarHBondContact O-CA 3.3Å; M656-Y660 WeakPolarHBondContact O-CB 3.43Å; M656-Y660 PolarHBondContact O-N 3.02Å; M656-Y660 HydrophobicContact SD-CD2 3.69Å; M656-Y660 HydrophobicContact SD-CE2 3.9Å; M656-D661 PolarHBondContact O-N 3.15Å; M656-V662 HydrophobicContact CB-CB 4.1Å; M656-V662 HydrophobicContact CB-CG2 4.33Å; M656-V662 HydrophobicContact CE-CG2 4.01Å; M656-V662 PolarHBondContact O-N 3.33Å
657	Y	95.4	Very high	92.3	Very high	95 Å²	95	70.4 Å²	70.4	37%	0.373	38%	0.38	S	S	.	.	H	α-helix	trans	-62.3	-51.3	170.9	179.8	-93.7	0	0	0	111.2	P129 N653 C654 L655 L659 D661 V662 I664	P129-Y657 HydrophobicContact CB-CD1 3.75Å; P129-Y657 HydrophobicContact CB-CE1 4.26Å; P129-Y657 HydrophobicContact CG-CD1 3.47Å; P129-Y657 VanDerWaalsContact CG-CD1 3.47Å; P129-Y657 HydrophobicContact CG-CE1 3.63Å; P129-Y657 HydrophobicContact CG-CG 4.31Å; N653-Y657 WeakPolarHBondContact O-CB 3.29Å; N653-Y657 PolarHBondContact O-N 3.32Å; C654-Y657 PolarHBondContact O-N 3.39Å; L655-Y657 VanDerWaalsContact C-N 3.33Å; Y657-L659 PolarHBondContact O-N 3.45Å; Y657-D661 WeakPolarHBondContact O-CA 3.42Å; Y657-D661 PolarHBondContact O-N 3.08Å; Y657-V662 WeakPolarHBondContact CA-O 3.47Å; Y657-V662 WeakPolarHBondContact CB-O 3.29Å; Y657-V662 VanDerWaalsContact CD2-O 3.31Å; Y657-V662 WeakPolarHBondContact CD2-O 3.43Å; Y657-I664 HydrophobicContact CD1-CD1 4.34Å; Y657-I664 HydrophobicContact CD2-CD1 4.21Å; Y657-I664 HydrophobicContact CD2-CG1 4Å; Y657-I664 HydrophobicContact CG-CD1 3.83Å; Y657-I664 HydrophobicContact CG-CG1 3.99Å
658	L	95.6	Very high	90.5	Very high	72 Å²	72	76.9 Å²	76.9	38%	0.377	42%	0.42	S	S	.	.	H	α-helix	trans	-68	-30.1	-176.3	-71.3	171.1	0	0	0	114.5	P129 L130 C133 C654 L655	P129-L658 HydrophobicContact CB-CD1 4.12Å; P129-L658 HydrophobicContact CB-CD2 3.91Å; P129-L658 HydrophobicContact CB-CG 3.82Å; L130-L658 HydrophobicContact CD2-CD2 4.45Å; C133-L658 WeakPolarHBondContact SG-CD1 3.43Å; C654-L658 WeakPolarHBondContact O-CB 3.3Å; C654-L658 VanDerWaalsContact O-CG 3.29Å; C654-L658 WeakPolarHBondContact O-CG 3.45Å; C654-L658 PolarHBondContact O-N 3.37Å; L655-L658 PolarHBondContact O-N 3.14Å
659	L	96	Very high	88.6	Confident	119 Å²	119	78.9 Å²	78.9	62%	0.623	43%	0.425	S	S	*	.	H	α-helix	trans	-94.8	-29.8	-176.8	-66.5	174.6	0	0	0	113.5	L655 Y657	L655-L659 VanDerWaalsContact O-CB 3.29Å; L655-L659 WeakPolarHBondContact O-CB 3.28Å; L655-L659 VanDerWaalsContact O-CG 3.3Å; L655-L659 WeakPolarHBondContact O-CG 3.38Å; L655-L659 PolarHBondContact O-N 3.25Å; Y657-L659 PolarHBondContact O-N 3.45Å
660	Y	95.9	Very high	86.1	Confident	163 Å²	163	80.4 Å²	80.4	64%	0.639	44%	0.441	S	S	*	.	H	α-helix	trans	-136.9	7.1	-169.1	-54.9	-72.4	0	0	0	113.9	M656 V662	M656-Y660 HydrophobicContact CE-CD2 3.63Å; M656-Y660 HydrophobicContact CE-CE2 4.17Å; M656-Y660 HydrophobicContact CE-CG 4.4Å; M656-Y660 CarbonylContact O-C 3.54Å; M656-Y660 WeakPolarHBondContact O-CA 3.3Å; M656-Y660 WeakPolarHBondContact O-CB 3.43Å; M656-Y660 PolarHBondContact O-N 3.02Å; M656-Y660 HydrophobicContact SD-CD2 3.69Å; M656-Y660 HydrophobicContact SD-CE2 3.9Å; Y660-V662 PolarHBondContact O-N 2.86Å
661	D	92.5	Very high	83	Confident	131 Å²	131	83.3 Å²	83.3	70%	0.701	48%	0.476	S	S	*	.			trans	55.4	28.9	-178.1	-64.8	-47.1	0	0	0	114.3	M656 Y657 T663	M656-D661 PolarHBondContact O-N 3.15Å; Y657-D661 WeakPolarHBondContact O-CA 3.42Å; Y657-D661 PolarHBondContact O-N 3.08Å; D661-T663 PolarHBondContact O-N 3.38Å
662	V	92.9	Very high	79.7	Confident	69 Å²	69	94 Å²	94	42%	0.418	53%	0.534	S	S	.	.	P	Polyproline II helix	trans	-70.9	127.2	175.6	178	0	0	0	0	110.2	M656 Y657 Y660 I664	M656-V662 HydrophobicContact CB-CB 4.1Å; M656-V662 HydrophobicContact CB-CG2 4.33Å; M656-V662 HydrophobicContact CE-CG2 4.01Å; M656-V662 PolarHBondContact O-N 3.33Å; Y657-V662 WeakPolarHBondContact CA-O 3.47Å; Y657-V662 WeakPolarHBondContact CB-O 3.29Å; Y657-V662 VanDerWaalsContact CD2-O 3.31Å; Y657-V662 WeakPolarHBondContact CD2-O 3.43Å; Y660-V662 PolarHBondContact O-N 2.86Å; V662-I664 PolarHBondContact O-N 2.88Å
663	T	88.9	Confident	78.9	Confident	124 Å²	124	97.3 Å²	97.3	76%	0.761	55%	0.545	S	S	*	.	P	Polyproline II helix	trans	-60.7	133.9	-178.3	50	0	0	0	0	112.5	D661	D661-T663 PolarHBondContact O-N 3.38Å
664	I	89.3	Confident	78	Confident	33 Å²	33	98.9 Å²	98.9	17%	0.169	56%	0.556	C	S	.	*	P	Polyproline II helix	trans	-84.5	126.9	178.1	-59.1	-179.7	0	0	0	108.5	Y128 P129 Y657 V662 Q666	Y128-I664 HydrophobicContact CD1-CD1 3.71Å; Y128-I664 HydrophobicContact CD1-CG2 4.15Å; Y128-I664 HydrophobicContact CE1-CD1 3.81Å; Y128-I664 HydrophobicContact CE1-CG2 3.57Å; P129-I664 HydrophobicContact CB-CD1 4.48Å; P129-I664 HydrophobicContact CG-CD1 3.88Å; Y657-I664 HydrophobicContact CD1-CD1 4.34Å; Y657-I664 HydrophobicContact CD2-CD1 4.21Å; Y657-I664 HydrophobicContact CD2-CG1 4Å; Y657-I664 HydrophobicContact CG-CD1 3.83Å; Y657-I664 HydrophobicContact CG-CG1 3.99Å; V662-I664 PolarHBondContact O-N 2.88Å; I664-Q666 PolarHBondContact O-N 2.83Å
665	P	84.5	Confident	77	Confident	85 Å²	85	104.4 Å²	104.4	55%	0.552	59%	0.586	S	S	*	*	P	Polyproline II helix	trans	-58.4	134.4	173.6	-21.8	32.4	0	0	0	111	Q110	Q110-P665 PolarHBondContact NE2-O 3.18Å
666	Q	77.7	Confident	75.9	Confident	172 Å²	172	107.1 Å²	107.1	80%	0.804	60%	0.603	S	S	*	*	P	Polyproline II helix	trans	-74.5	134.1	174	-72.4	-173.7	-26.7	0	0	110.5	I664 V668	I664-Q666 PolarHBondContact O-N 2.83Å; Q666-V668 PolarHBondContact O-N 3.05Å
667	A	69.4	Low	74.7	Confident	38 Å²	38	108.6 Å²	108.6	31%	0.314	62%	0.615	S	S	.	*	P	Polyproline II helix	trans	-59.5	126.3	168.6	0	0	0	0	0	109.8	D106 K669	D106-A667 HydrophobicContact CB-CB 4.04Å; D106-A667 WeakPolarHBondContact OD2-CB 3.44Å; A667-K669 PolarHBondContact O-N 3.23Å
668	V	59.2	Low	73.3	Confident	138 Å²	138	109.5 Å²	109.5	84%	0.836	63%	0.631	S	S	*	*			trans	-78.1	104	169.7	-178.3	0	0	0	0	106.4	Q666 G670	Q666-V668 PolarHBondContact O-N 3.05Å; V668-G670 PolarHBondContact O-N 3.45Å; V668-G670 VanDerWaalsContact O-N 3.15Å
669	K	56.3	Low	71.7	Confident	117 Å²	117	112.2 Å²	112.2	51%	0.509	65%	0.649	S	S	.	*			trans	-63.3	116	163.3	-79.3	-174.9	174.8	-180	0	106.5	A667 G671	A667-K669 PolarHBondContact O-N 3.23Å; K669-G671 PolarHBondContact O-N 3.23Å
670	G	43	Very low	69.8	Low	65 Å²	65	111.7 Å²	111.7	67%	0.67	65%	0.652	S	S	*	*			trans	-53.4	116.3	167.3	0	0	0	0	0	107.3	V668 D672	V668-G670 PolarHBondContact O-N 3.45Å; V668-G670 VanDerWaalsContact O-N 3.15Å; G670-D672 PolarHBondContact O-N 3.47Å
671	G	30.4	Very low	67.6	Low	81 Å²	81	107.4 Å²	107.4	84%	0.835	65%	0.653	S	S	*	*			trans	-74.2	100.8	167.9	0	0	0	0	0	106.6	K669	K669-G671 PolarHBondContact O-N 3.23Å
672	D	27.5	Very low	65.4	Low	236 Å²	236	105.3 Å²	105.3	100%	1.262	65%	0.648	S	S	*	*			trans	-84	0	160.7	-73.7	-18.8	0	0	0	109.5	G670	G670-D672 PolarHBondContact O-N 3.47Å

Retrieved 672 of 672 residues in 366.1 ms (Link to these results)

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