KAPC1_CAEEL Loading...

cAMP-dependent protein kinase catalytic subunit

Essential for larval development¹. Controls the rhythmic contraction of enteric muscles probably by regulating G-protein coupled receptor aex-2-mediated calcium influx in GABAergic DVB neurons². Plays a role in the control of oocyte meiotic maturation by gonadal sheath cells³. Isoforms a and b: May play a role in the regulation of neuromuscular junctions.

AlphaFold DB , UniProt , Accession P21137, Species CAEEL (Caenorhabditis elegans), Gene kin-1, Length 404 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	26	Very low	25.9	Very low	241 Å²	241	150.5 Å²	150.5	100%	1.187	82%	0.818	S	S	*	*				0	152	0	-69.8	-174.7	177	0	0	108.3
2	P	34.3	Very low	25.4	Very low	120 Å²	120	153.2 Å²	153.2	78%	0.779	82%	0.821	S	S	*	*			cis	-92.7	-154.5	-23.4	39	-28.3	0	0	0	108.3
3	T	30.2	Very low	25.5	Very low	120 Å²	120	158.1 Å²	158.1	74%	0.736	83%	0.831	S	S	*	*			cis	-144	118.2	-17.7	-17.4	0	0	0	0	104.7
4	R	24.2	Very low	25.3	Very low	195 Å²	195	153.7 Å²	153.7	74%	0.736	82%	0.82	S	S	*	*				25.8	120.2	97.5	-167	-180	-175	163.8	8.2	116.6	D6	R4-D6 IonicContact CZ-OD2 3.41Å; R4-D6 VanDerWaalsContact CZ-OD2 3.26Å; R4-D6 IonicContact NE-OD2 3.76Å; R4-D6 PolarHBondContact NE-OD2 2.86Å; R4-D6 IonicContact NH2-OD1 3.26Å; R4-D6 IonicContact NH2-OD2 2.67Å; R4-D6 PolarHBondContact NH2-OD2 2.78Å
5	L	27.6	Very low	25.3	Very low	169 Å²	169	150.8 Å²	150.8	89%	0.885	82%	0.816	S	S	*	*			trans	-152.7	129.4	145.1	-129.8	159.2	0	0	0	109
6	D	22.1	Very low	25.4	Very low	99 Å²	99	147 Å²	147	53%	0.529	81%	0.805	S	S	.	*			trans	-93.3	150.6	-179.6	-54.5	-82.4	0	0	0	110	R4	R4-D6 IonicContact CZ-OD2 3.41Å; R4-D6 VanDerWaalsContact CZ-OD2 3.26Å; R4-D6 IonicContact NE-OD2 3.76Å; R4-D6 PolarHBondContact NE-OD2 2.86Å; R4-D6 IonicContact NH2-OD1 3.26Å; R4-D6 IonicContact NH2-OD2 2.67Å; R4-D6 PolarHBondContact NH2-OD2 2.78Å
7	I	27.2	Very low	25.7	Very low	169 Å²	169	146 Å²	146	87%	0.867	80%	0.804	S	S	*	*			trans	-125.4	121.5	164.4	-63.8	-176.9	0	0	0	109.3
8	V	23.8	Very low	26	Very low	135 Å²	135	144.8 Å²	144.8	82%	0.818	80%	0.796	S	S	*	*			trans	-103.9	145.6	170.8	175	0	0	0	0	107.7
9	G	22.3	Very low	26.3	Very low	60 Å²	60	144.6 Å²	144.6	62%	0.619	80%	0.795	S	S	*	*			trans	-74.3	166.8	-166.8	0	0	0	0	0	115.6
10	N	23.6	Very low	26.5	Very low	165 Å²	165	140.6 Å²	140.6	88%	0.882	79%	0.788	S	S	*	*			trans	-165.7	126.7	141.4	-105.4	-13.5	0	0	0	109.4
11	L	23.1	Very low	26.7	Very low	183 Å²	183	142.2 Å²	142.2	96%	0.958	80%	0.795	S	S	*	*			trans	-143.8	105.3	160.3	-94.6	178.8	0	0	0	108.9
12	Q	20.3	Very low	26.7	Very low	182 Å²	182	139.8 Å²	139.8	85%	0.85	78%	0.781	S	S	*	*			trans	-149.1	109.7	166	-164.2	-178.5	22.4	0	0	108.1
13	F	26.9	Very low	26.5	Very low	217 Å²	217	140.8 Å²	140.8	95%	0.952	78%	0.779	S	S	*	*			trans	-149.7	152.6	161.4	-101.7	-72.5	0	0	0	108.2
14	S	23	Very low	26.5	Very low	97 Å²	97	142.4 Å²	142.4	68%	0.678	78%	0.778	S	S	*	*			trans	-133.7	146.5	-161.7	55.5	0	0	0	0	112.7
15	S	24.9	Very low	26.5	Very low	110 Å²	110	142.3 Å²	142.3	77%	0.769	79%	0.786	S	S	*	*			trans	64.7	153.7	155.6	71.1	0	0	0	0	116.8
16	S	27.1	Very low	26.5	Very low	90 Å²	90	138.4 Å²	138.4	63%	0.629	78%	0.778	S	S	*	*			cis	-150.8	169.3	13.4	-45	0	0	0	0	111.7
17	T	29.5	Very low	26.6	Very low	130 Å²	130	140.3 Å²	140.3	80%	0.798	79%	0.788	S	S	*	*			trans	64.9	146.8	151.6	51.3	0	0	0	0	118.3
18	D	31.1	Very low	26.5	Very low	124 Å²	124	138.2 Å²	138.2	66%	0.663	78%	0.783	S	S	*	*			cis	-149.7	161.2	2.2	-136.4	11.3	0	0	0	112.2
19	N	33.3	Very low	26.6	Very low	142 Å²	142	136.5 Å²	136.5	76%	0.759	77%	0.773	S	S	*	*			trans	24.6	136.2	162	-49.4	-48.3	0	0	0	120.4
20	G	28.9	Very low	26.7	Very low	64 Å²	64	137.1 Å²	137.1	66%	0.66	77%	0.773	S	S	*	*			cis	139.6	143.5	4.3	0	0	0	0	0	110.5
21	D	31.5	Very low	26.7	Very low	175 Å²	175	134 Å²	134	94%	0.936	76%	0.763	S	S	*	*			trans	-172.9	147.6	156.7	-97.2	-26.3	0	0	0	108.3
22	E	25.9	Very low	26.8	Very low	190 Å²	190	134.3 Å²	134.3	89%	0.888	76%	0.757	S	S	*	*			trans	-102.3	129.4	178.9	-59.3	177.4	125	0	0	109.8
23	D	29.9	Very low	27.1	Very low	141 Å²	141	131.5 Å²	131.5	75%	0.754	75%	0.752	S	S	*	*			trans	-164.6	149.8	143.6	-125.6	-33.6	0	0	0	116.2
24	Q	31	Very low	26.9	Very low	153 Å²	153	128.6 Å²	128.6	72%	0.715	75%	0.745	S	S	*	*			trans	51.4	106.9	154.5	-79.1	150.7	67.5	0	0	122.8
25	E	24.4	Very low	27.1	Very low	194 Å²	194	129.6 Å²	129.6	91%	0.907	75%	0.749	S	S	*	*			trans	-4.9	127.3	138.2	-60.2	177.5	115.5	0	0	119.1
26	A	27.5	Very low	27.3	Very low	86 Å²	86	128.8 Å²	128.8	71%	0.711	74%	0.744	S	S	*	*			trans	-147.7	94.1	148.4	0	0	0	0	0	110	V28	A26-V28 HydrophobicContact CB-CG2 4.49Å; A26-V28 PolarHBondContact O-N 3.43Å; A26-V28 VanDerWaalsContact O-N 3.16Å
27	D	23.6	Very low	27.3	Very low	139 Å²	139	131 Å²	131	74%	0.743	76%	0.756	S	S	*	*			trans	-70.9	105.4	170.6	-177.6	-14.5	0	0	0	109.5	T29	D27-T29 PolarHBondContact O-N 2.76Å; D27-T29 VanDerWaalsContact OD1-CB 3.31Å; D27-T29 WeakPolarHBondContact OD1-CB 3.09Å; D27-T29 PolarHBondContact OD1-N 2.93Å; D27-T29 PolarHBondContact OD1-OG1 3.1Å
28	V	25.9	Very low	27.1	Very low	126 Å²	126	129.4 Å²	129.4	76%	0.764	75%	0.75	S	S	*	*			trans	-99.6	52.2	176.7	-157	0	0	0	0	110.8	A26 A30	A26-V28 HydrophobicContact CB-CG2 4.49Å; A26-V28 PolarHBondContact O-N 3.43Å; A26-V28 VanDerWaalsContact O-N 3.16Å; V28-A30 VanDerWaalsContact C-N 3.33Å; V28-A30 PolarHBondContact O-N 3.08Å
29	T	24.4	Very low	26.9	Very low	99 Å²	99	129.2 Å²	129.2	61%	0.607	76%	0.758	S	S	*	*			trans	-59.5	93.9	168.1	-71.3	0	0	0	0	110	D27 C31	D27-T29 PolarHBondContact O-N 2.76Å; D27-T29 VanDerWaalsContact OD1-CB 3.31Å; D27-T29 WeakPolarHBondContact OD1-CB 3.09Å; D27-T29 PolarHBondContact OD1-N 2.93Å; D27-T29 PolarHBondContact OD1-OG1 3.1Å; T29-C31 VanDerWaalsContact C-N 3.28Å; T29-C31 PolarHBondContact O-N 3.34Å
30	A	24.4	Very low	26.6	Very low	73 Å²	73	132.5 Å²	132.5	60%	0.603	77%	0.766	S	S	*	*			trans	-74.4	77.4	-178.6	0	0	0	0	0	111.3	V28 F32	V28-A30 VanDerWaalsContact C-N 3.33Å; V28-A30 PolarHBondContact O-N 3.08Å; A30-F32 VanDerWaalsContact C-N 3.32Å; A30-F32 HydrophobicContact CB-CD2 4.5Å; A30-F32 HydrophobicContact CB-CE2 4.4Å; A30-F32 PolarHBondContact O-N 3.41Å
31	C	23.5	Very low	26.6	Very low	100 Å²	100	134.3 Å²	134.3	68%	0.676	77%	0.769	S	S	*	*			trans	-62.4	89.2	169.6	-78.7	0	0	0	0	111	T29 V33	T29-C31 VanDerWaalsContact C-N 3.28Å; T29-C31 PolarHBondContact O-N 3.34Å; C31-V33 VanDerWaalsContact C-N 3.27Å; C31-V33 PolarHBondContact O-N 3.32Å
32	F	24.9	Very low	26.3	Very low	189 Å²	189	135.4 Å²	135.4	83%	0.829	77%	0.765	S	S	*	*			trans	-66.6	87.1	165.4	-85.5	-86.9	0	0	0	110.1	A30 L34	A30-F32 VanDerWaalsContact C-N 3.32Å; A30-F32 HydrophobicContact CB-CD2 4.5Å; A30-F32 HydrophobicContact CB-CE2 4.4Å; A30-F32 PolarHBondContact O-N 3.41Å; F32-L34 PolarHBondContact O-N 3.34Å
33	V	27.2	Very low	26.4	Very low	123 Å²	123	133.4 Å²	133.4	75%	0.745	76%	0.76	S	S	*	*			trans	-65.6	102	170.1	179.1	0	0	0	0	108.2	C31 P35	C31-V33 VanDerWaalsContact C-N 3.27Å; C31-V33 PolarHBondContact O-N 3.32Å; V33-P35 WeakPolarHBondContact O-CD 3.21Å
34	L	24	Very low	26.2	Very low	155 Å²	155	131.7 Å²	131.7	81%	0.812	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-62	122.6	170.1	-67	174	0	0	0	109.1	F32 S36	F32-L34 PolarHBondContact O-N 3.34Å; L34-S36 PolarHBondContact O-N 3.08Å
35	P	27.1	Very low	26.2	Very low	118 Å²	118	130.6 Å²	130.6	77%	0.766	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-63.6	130.8	175.8	-21.9	33.8	0	0	0	111.1	V33	V33-P35 WeakPolarHBondContact O-CD 3.21Å
36	S	28.6	Very low	26.5	Very low	93 Å²	93	127.7 Å²	127.7	65%	0.65	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-63.1	131.1	171.4	53.4	0	0	0	0	110.7	L34 S38	L34-S36 PolarHBondContact O-N 3.08Å; S36-S38 PolarHBondContact O-N 2.69Å
37	P	27.2	Very low	27	Very low	138 Å²	138	132 Å²	132	90%	0.896	76%	0.758	S	S	*	*			trans	-74.8	88.1	-179.8	30.3	-34.8	0	0	0	111.1
38	S	24.8	Very low	27.7	Very low	95 Å²	95	130.6 Å²	130.6	66%	0.664	75%	0.75	S	S	*	*			trans	-124	129.8	174.8	56.7	0	0	0	0	111	S36	S36-S38 PolarHBondContact O-N 2.69Å
39	S	26.5	Very low	28.7	Very low	120 Å²	120	128.6 Å²	128.6	84%	0.839	74%	0.74	S	S	*	*			trans	69.6	49.2	-179.3	-166.2	0	0	0	0	116.7	S41	S39-S41 PolarHBondContact O-N 2.71Å
40	F	28.5	Very low	30	Very low	212 Å²	212	125.7 Å²	125.7	93%	0.93	72%	0.722	S	S	*	*			trans	-71	117.3	146.7	-114.3	-90.4	0	0	0	108.6
41	S	27.4	Very low	31.5	Very low	101 Å²	101	130.8 Å²	130.8	71%	0.706	73%	0.733	S	S	*	*			trans	-70	145.8	175	45	0	0	0	0	110.6	S39 L43	S39-S41 PolarHBondContact O-N 2.71Å; S41-L43 PolarHBondContact O-N 3.2Å; S41-L43 VanDerWaalsContact O-N 3.13Å
42	K	25.8	Very low	34.1	Very low	198 Å²	198	129.9 Å²	129.9	86%	0.861	72%	0.721	S	S	*	*			trans	-64.3	113.3	-177.4	-69.9	177.5	176.2	178.9	0	111.4
43	L	28.3	Very low	36.8	Very low	149 Å²	149	121.4 Å²	121.4	78%	0.78	68%	0.684	S	S	*	*			trans	-121.1	65.2	149.4	-162.6	72.9	0	0	0	109.4	S41 I45	S41-L43 PolarHBondContact O-N 3.2Å; S41-L43 VanDerWaalsContact O-N 3.13Å; L43-I45 HydrophobicContact CD1-CD1 4.01Å; L43-I45 HydrophobicContact CD1-CG1 4.47Å; L43-I45 HydrophobicContact CD2-CD1 4.42Å; L43-I45 HydrophobicContact CG-CD1 4Å; L43-I45 HydrophobicContact CG-CG1 4.23Å; L43-I45 PolarHBondContact O-N 2.68Å; L43-I45 VanDerWaalsContact O-N 3.07Å
44	S	25	Very low	39.5	Very low	104 Å²	104	121.7 Å²	121.7	73%	0.727	68%	0.675	S	S	*	*			trans	-74.9	90.9	176.1	52.9	0	0	0	0	110.2
45	I	32.2	Very low	42.5	Very low	130 Å²	130	121.1 Å²	121.1	67%	0.667	67%	0.669	S	S	*	*			trans	-120.1	82.1	173	-55.3	179.6	0	0	0	108.9	L43	L43-I45 HydrophobicContact CD1-CD1 4.01Å; L43-I45 HydrophobicContact CD1-CG1 4.47Å; L43-I45 HydrophobicContact CD2-CD1 4.42Å; L43-I45 HydrophobicContact CG-CD1 4Å; L43-I45 HydrophobicContact CG-CG1 4.23Å; L43-I45 PolarHBondContact O-N 2.68Å; L43-I45 VanDerWaalsContact O-N 3.07Å
46	L	30.8	Very low	45.5	Very low	133 Å²	133	117.3 Å²	117.3	70%	0.696	64%	0.64	S	S	*	*			trans	49	83.2	154	-52.4	177.9	0	0	0	117.5	D48	L46-D48 PolarHBondContact O-N 3.02Å
47	D	36.1	Very low	48.5	Very low	178 Å²	178	113.6 Å²	113.6	95%	0.952	61%	0.613	S	S	*	*			trans	-70.7	61.6	141.8	-90.7	-48.4	0	0	0	109.5	P49	D47-P49 WeakPolarHBondContact O-CD 3.42Å
48	D	39.7	Very low	51.6	Low	109 Å²	109	110.6 Å²	110.6	58%	0.583	59%	0.589	S	S	*	*			trans	-77.3	118.6	161.4	-81.4	-44.6	0	0	0	107.3	L46 V50	L46-D48 PolarHBondContact O-N 3.02Å; D48-V50 PolarHBondContact O-N 3.17Å; D48-V50 VanDerWaalsContact O-N 3.12Å
49	P	45.6	Very low	54.8	Low	83 Å²	83	112.7 Å²	112.7	54%	0.539	59%	0.586	S	S	.	*			trans	-65.2	118	176	27.6	-32.6	0	0	0	108.5	D47 E51	D47-P49 WeakPolarHBondContact O-CD 3.42Å; P49-E51 VanDerWaalsContact C-N 3.32Å; P49-E51 PolarHBondContact O-N 2.97Å
50	V	51.5	Low	58.1	Low	39 Å²	39	107.2 Å²	107.2	24%	0.236	55%	0.549	C	S	.	.			trans	-62.6	93.3	172.7	177.1	0	0	0	0	108.7	D48 D52 F56 Y344	D48-V50 PolarHBondContact O-N 3.17Å; D48-V50 VanDerWaalsContact O-N 3.12Å; V50-D52 VanDerWaalsContact CG1-O 3.25Å; V50-D52 WeakPolarHBondContact CG1-O 3.4Å; V50-F56 HydrophobicContact CG1-CB 3.77Å; V50-F56 HydrophobicContact CG2-CB 4.39Å; V50-Y344 HydrophobicContact CB-CE1 4.33Å; V50-Y344 HydrophobicContact CG2-CE1 4.37Å
51	E	56.6	Low	61.3	Low	179 Å²	179	101.8 Å²	101.8	84%	0.836	52%	0.522	S	S	*	.	S	Bend	trans	-73.3	-31.6	177.8	-65.1	-159.7	148.7	0	0	111.6	P49	P49-E51 VanDerWaalsContact C-N 3.32Å; P49-E51 PolarHBondContact O-N 2.97Å
52	D	77.2	Confident	64.5	Low	81 Å²	81	100.8 Å²	100.8	43%	0.433	51%	0.506	S	S	.	.			trans	-119	113.1	168.8	-170.3	-2.7	0	0	0	111.5	V50 K54 E55	V50-D52 VanDerWaalsContact CG1-O 3.25Å; V50-D52 WeakPolarHBondContact CG1-O 3.4Å; D52-K54 PolarHBondContact O-N 3.42Å; D52-K54 VanDerWaalsContact O-N 3.09Å; D52-K54 WeakPolarHBondContact OD1-CB 3.36Å; D52-K54 PolarHBondContact OD1-N 3.23Å; D52-K54 WeakPolarHBondContact OD2-CB 3.49Å; D52-E55 PolarHBondContact O-N 2.82Å
53	F	83	Confident	67.8	Low	11 Å²	11	94.5 Å²	94.5	5%	0.048	48%	0.482	C	S	.	.	H	α-helix	trans	-55.5	-26	173.8	-175	-107	0	0	0	112.7	F56 L57 F138 L190 E193 I341 Y344	F53-F56 HydrophobicContact CD2-CD1 4.27Å; F53-F56 AromaticContact CE2-CD1 3.99Å; F53-F56 HydrophobicContact CE2-CD1 3.99Å; F53-F56 HydrophobicContact CE2-CE1 4.36Å; F53-F56 WeakPolarHBondContact O-CB 3.45Å; F53-F56 PolarHBondContact O-N 3.21Å; F53-L57 HydrophobicContact CD1-CD1 3.87Å; F53-L57 HydrophobicContact CD1-CG 4.12Å; F53-L57 HydrophobicContact CE1-CD1 3.74Å; F53-L57 HydrophobicContact CE1-CD2 4Å; F53-L57 HydrophobicContact CE1-CG 3.91Å; F53-L57 HydrophobicContact CZ-CD2 4.19Å; F53-L57 HydrophobicContact CZ-CG 4.45Å; F53-L57 WeakPolarHBondContact O-CG 3.23Å; F53-L57 PolarHBondContact O-N 2.95Å; F53-F138 AromaticContact CE2-CE2 3.9Å; F53-F138 HydrophobicContact CE2-CE2 3.9Å; F53-F138 HydrophobicContact CE2-CZ 4.04Å; F53-F138 AromaticContact CZ-CE2 3.9Å; F53-F138 HydrophobicContact CZ-CE2 3.9Å; F53-F138 AromaticContact CZ-CZ 3.87Å; F53-F138 HydrophobicContact CZ-CZ 3.87Å; F53-L190 HydrophobicContact CD1-CD2 4.34Å; F53-L190 HydrophobicContact CE1-CD2 3.85Å; F53-L190 HydrophobicContact CE2-CD2 4.13Å; F53-L190 HydrophobicContact CZ-CB 4.47Å; F53-L190 HydrophobicContact CZ-CD2 3.75Å; F53-E193 HydrophobicContact CE1-CB 4.47Å; F53-E193 HydrophobicContact CE1-CG 3.95Å; F53-E193 WeakPolarHBondContact CE1-OE2 3.26Å; F53-I341 HydrophobicContact CB-CD1 3.99Å; F53-Y344 HydrophobicContact CD2-CD1 4.17Å; F53-Y344 HydrophobicContact CD2-CD2 4.22Å; F53-Y344 HydrophobicContact CD2-CE1 4.49Å; F53-Y344 HydrophobicContact CD2-CG 4.05Å; F53-Y344 HydrophobicContact CE2-CD1 4.43Å; F53-Y344 AromaticContact CE2-CD2 3.66Å; F53-Y344 HydrophobicContact CE2-CD2 3.66Å; F53-Y344 AromaticContact CE2-CE2 3.95Å; F53-Y344 HydrophobicContact CE2-CE2 3.95Å; F53-Y344 AromaticContact CE2-CG 3.93Å; F53-Y344 HydrophobicContact CE2-CG 3.93Å
54	K	82.9	Confident	71.1	Confident	129 Å²	129	87.5 Å²	87.5	56%	0.561	45%	0.445	S	S	*	.	H	α-helix	trans	-66.3	-38.1	175.8	-175.7	-166.2	165.3	-149.2	0	112.7	D52 F56 L57 D58	D52-K54 PolarHBondContact O-N 3.42Å; D52-K54 VanDerWaalsContact O-N 3.09Å; D52-K54 WeakPolarHBondContact OD1-CB 3.36Å; D52-K54 PolarHBondContact OD1-N 3.23Å; D52-K54 WeakPolarHBondContact OD2-CB 3.49Å; K54-F56 VanDerWaalsContact C-N 3.32Å; K54-L57 CarbonylContact O-C 3.59Å; K54-L57 WeakPolarHBondContact O-CA 3.44Å; K54-L57 WeakPolarHBondContact O-CB 3.4Å; K54-L57 PolarHBondContact O-N 2.68Å; K54-L57 VanDerWaalsContact O-N 3.08Å; K54-D58 PolarHBondContact O-N 3.26Å
55	E	86.8	Confident	74.5	Confident	144 Å²	144	85.9 Å²	85.9	67%	0.673	43%	0.425	S	S	*	.	H	α-helix	trans	-65.5	-39.9	176.8	-177.2	170.8	-161.3	0	0	110.7	D52 L57 D58 K59	D52-E55 PolarHBondContact O-N 2.82Å; E55-L57 VanDerWaalsContact C-N 3.32Å; E55-L57 PolarHBondContact O-N 3.36Å; E55-D58 PolarHBondContact O-N 2.75Å; E55-D58 VanDerWaalsContact O-N 3.13Å; E55-K59 PolarHBondContact O-N 2.84Å
56	F	90	Very high	77.5	Confident	38 Å²	38	84.3 Å²	84.3	17%	0.167	42%	0.415	C	S	.	.	H	α-helix	trans	-57.4	-43.3	168.5	168.5	-94	0	0	0	112	V50 F53 K54 D58 K59 A60 F138 Y194 Y344	V50-F56 HydrophobicContact CG1-CB 3.77Å; V50-F56 HydrophobicContact CG2-CB 4.39Å; F53-F56 HydrophobicContact CD2-CD1 4.27Å; F53-F56 AromaticContact CE2-CD1 3.99Å; F53-F56 HydrophobicContact CE2-CD1 3.99Å; F53-F56 HydrophobicContact CE2-CE1 4.36Å; F53-F56 WeakPolarHBondContact O-CB 3.45Å; F53-F56 PolarHBondContact O-N 3.21Å; K54-F56 VanDerWaalsContact C-N 3.32Å; F56-D58 VanDerWaalsContact C-N 3.31Å; F56-D58 PolarHBondContact O-N 2.62Å; F56-K59 PolarHBondContact O-N 3.46Å; F56-A60 HydrophobicContact CE1-CB 4.33Å; F56-A60 HydrophobicContact CZ-CB 4.21Å; F56-A60 WeakPolarHBondContact O-CB 3.26Å; F56-A60 PolarHBondContact O-N 3.04Å; F56-F138 AromaticContact CE1-CD2 3.7Å; F56-F138 HydrophobicContact CE1-CD2 3.7Å; F56-F138 AromaticContact CE1-CE2 3.59Å; F56-F138 HydrophobicContact CE1-CE2 3.59Å; F56-F138 AromaticContact CZ-CD2 3.83Å; F56-F138 HydrophobicContact CZ-CD2 3.83Å; F56-F138 HydrophobicContact CZ-CE2 4.13Å; F56-Y194 AromaticContact CE1-CD2 3.91Å; F56-Y194 HydrophobicContact CE1-CD2 3.91Å; F56-Y194 HydrophobicContact CE1-CE2 4.24Å; F56-Y194 HydrophobicContact CZ-CD2 4.31Å; F56-Y194 HydrophobicContact CZ-CE2 4.21Å; F56-Y344 VanDerWaalsContact CD2-OH 3.29Å; F56-Y344 WeakPolarHBondContact CD2-OH 3.35Å; F56-Y344 HydrophobicContact CE1-CE2 4.28Å; F56-Y344 VanDerWaalsContact CE2-OH 3.24Å; F56-Y344 WeakPolarHBondContact CE2-OH 3.24Å; F56-Y344 HydrophobicContact CZ-CE2 4.4Å
57	L	92.7	Very high	80.6	Confident	14 Å²	14	82.4 Å²	82.4	7%	0.073	40%	0.399	C	S	.	.	H	α-helix	trans	-68.3	-23.3	175.7	-66.4	174.9	0	0	0	114.1	F53 K54 E55 R61 E193 Y194	F53-L57 HydrophobicContact CD1-CD1 3.87Å; F53-L57 HydrophobicContact CD1-CG 4.12Å; F53-L57 HydrophobicContact CE1-CD1 3.74Å; F53-L57 HydrophobicContact CE1-CD2 4Å; F53-L57 HydrophobicContact CE1-CG 3.91Å; F53-L57 HydrophobicContact CZ-CD2 4.19Å; F53-L57 HydrophobicContact CZ-CG 4.45Å; F53-L57 WeakPolarHBondContact O-CG 3.23Å; F53-L57 PolarHBondContact O-N 2.95Å; K54-L57 CarbonylContact O-C 3.59Å; K54-L57 WeakPolarHBondContact O-CA 3.44Å; K54-L57 WeakPolarHBondContact O-CB 3.4Å; K54-L57 PolarHBondContact O-N 2.68Å; K54-L57 VanDerWaalsContact O-N 3.08Å; E55-L57 VanDerWaalsContact C-N 3.32Å; E55-L57 PolarHBondContact O-N 3.36Å; L57-R61 VanDerWaalsContact O-CZ 3.25Å; L57-R61 PolarHBondContact O-NE 3.49Å; L57-R61 PolarHBondContact O-NH2 2.88Å; L57-E193 HydrophobicContact CD1-CG 3.96Å; L57-Y194 HydrophobicContact CD2-CD2 4.26Å
58	D	91.8	Very high	83.5	Confident	76 Å²	76	75.9 Å²	75.9	41%	0.406	36%	0.361	S	S	.	.	H	α-helix	trans	-76.6	-46.7	172.1	-80.4	-47.8	0	0	0	110.4	K54 E55 F56 R61	K54-D58 PolarHBondContact O-N 3.26Å; E55-D58 PolarHBondContact O-N 2.75Å; E55-D58 VanDerWaalsContact O-N 3.13Å; F56-D58 VanDerWaalsContact C-N 3.31Å; F56-D58 PolarHBondContact O-N 2.62Å; D58-R61 VanDerWaalsContact CG-NH2 3.33Å; D58-R61 WeakPolarHBondContact O-CB 3.05Å; D58-R61 PolarHBondContact O-N 3.41Å; D58-R61 IonicContact OD1-CZ 3.62Å; D58-R61 IonicContact OD1-NH1 3.92Å; D58-R61 PolarHBondContact OD1-NH1 2.81Å; D58-R61 IonicContact OD1-NH2 2.7Å; D58-R61 PolarHBondContact OD1-NH2 2.88Å
59	K	93.1	Very high	86.1	Confident	138 Å²	138	75.7 Å²	75.7	60%	0.6	36%	0.356	S	S	*	.	H	α-helix	trans	-60.7	-49.5	174.1	179.7	178.7	171.6	-178.1	0	112.3	E55 F56 R61 E62 D63	E55-K59 PolarHBondContact O-N 2.84Å; F56-K59 PolarHBondContact O-N 3.46Å; K59-R61 PolarHBondContact O-N 3.24Å; K59-R61 VanDerWaalsContact O-N 3.11Å; K59-E62 PolarHBondContact O-N 3.25Å; K59-D63 WeakPolarHBondContact CE-OD2 3.4Å; K59-D63 PolarHBondContact O-N 3.29Å
60	A	94.4	Very high	88.4	Confident	6 Å²	6	77 Å²	77	5%	0.05	36%	0.359	C	S	.	.	H	α-helix	trans	-58.7	-26.5	179.9	0	0	0	0	0	113.2	F56 F64 Y194	F56-A60 HydrophobicContact CE1-CB 4.33Å; F56-A60 HydrophobicContact CZ-CB 4.21Å; F56-A60 WeakPolarHBondContact O-CB 3.26Å; F56-A60 PolarHBondContact O-N 3.04Å; A60-F64 WeakPolarHBondContact O-CB 3.36Å; A60-F64 PolarHBondContact O-N 2.97Å; A60-Y194 HydrophobicContact CB-CD2 4.42Å; A60-Y194 HydrophobicContact CB-CE2 3.81Å
61	R	95.4	Very high	90.3	Very high	98 Å²	98	76.8 Å²	76.8	37%	0.37	36%	0.358	S	S	.	.	H	α-helix	trans	-68.7	-38.7	175.4	-112.1	175.3	-75.4	138.9	5	112.7	L57 D58 K59 K65 S197 L198	L57-R61 VanDerWaalsContact O-CZ 3.25Å; L57-R61 PolarHBondContact O-NE 3.49Å; L57-R61 PolarHBondContact O-NH2 2.88Å; D58-R61 VanDerWaalsContact CG-NH2 3.33Å; D58-R61 WeakPolarHBondContact O-CB 3.05Å; D58-R61 PolarHBondContact O-N 3.41Å; D58-R61 IonicContact OD1-CZ 3.62Å; D58-R61 IonicContact OD1-NH1 3.92Å; D58-R61 PolarHBondContact OD1-NH1 2.81Å; D58-R61 IonicContact OD1-NH2 2.7Å; D58-R61 PolarHBondContact OD1-NH2 2.88Å; K59-R61 PolarHBondContact O-N 3.24Å; K59-R61 VanDerWaalsContact O-N 3.11Å; R61-K65 VanDerWaalsContact O-CB 3.28Å; R61-K65 WeakPolarHBondContact O-CB 3.41Å; R61-K65 PolarHBondContact O-N 3.46Å; R61-K65 VanDerWaalsContact O-N 3.12Å; R61-S197 VanDerWaalsContact CD-O 3.31Å; R61-S197 WeakPolarHBondContact CD-O 3.48Å; R61-S197 WeakPolarHBondContact CG-O 3.47Å; R61-L198 HydrophobicContact CB-CD2 4.46Å; R61-L198 HydrophobicContact CG-CD2 3.83Å
62	E	95.3	Very high	92	Very high	79 Å²	79	71 Å²	71	37%	0.369	34%	0.34	S	S	.	.	H	α-helix	trans	-77.9	-42.1	175.4	-173.4	58	-149.9	0	0	111	K59 F64 K65 Q66	K59-E62 PolarHBondContact O-N 3.25Å; E62-F64 VanDerWaalsContact C-N 3.34Å; E62-F64 PolarHBondContact O-N 3.1Å; E62-K65 WeakPolarHBondContact O-CB 3.49Å; E62-K65 PolarHBondContact O-N 3.3Å; E62-K65 IonicContact OE1-NZ 3.36Å; E62-K65 PolarHBondContact OE1-NZ 3.4Å; E62-K65 IonicContact OE2-NZ 3.38Å; E62-K65 PolarHBondContact OE2-NZ 3.32Å; E62-Q66 HydrophobicContact CG-CG 4.38Å; E62-Q66 VanDerWaalsContact O-CG 3.24Å; E62-Q66 WeakPolarHBondContact O-CG 3.19Å; E62-Q66 PolarHBondContact O-N 2.94Å; E62-Q66 PolarHBondContact OE1-NE2 3.48Å
63	D	95.8	Very high	92.6	Very high	67 Å²	67	71.1 Å²	71.1	36%	0.358	34%	0.339	S	S	.	.	H	α-helix	trans	-57.4	-45.6	174.9	-72.8	-27.5	0	0	0	111.6	K59 Q66 R67	K59-D63 WeakPolarHBondContact CE-OD2 3.4Å; K59-D63 PolarHBondContact O-N 3.29Å; D63-Q66 PolarHBondContact O-N 2.93Å; D63-R67 WeakPolarHBondContact O-CG 3.37Å; D63-R67 PolarHBondContact O-N 3.02Å
64	F	97	Very high	93.1	Very high	2 Å²	2	74.7 Å²	74.7	1%	0.009	36%	0.358	C	S	.	.	H	α-helix	trans	-61.6	-42.7	172.9	171.3	-100.2	0	0	0	112.2	A60 E62 R67 W68 A135 I136 L198 L200	A60-F64 WeakPolarHBondContact O-CB 3.36Å; A60-F64 PolarHBondContact O-N 2.97Å; E62-F64 VanDerWaalsContact C-N 3.34Å; E62-F64 PolarHBondContact O-N 3.1Å; F64-R67 PolarHBondContact O-N 2.89Å; F64-W68 HydrophobicContact CE1-CB 4.38Å; F64-W68 HydrophobicContact CE1-CE3 4.5Å; F64-W68 HydrophobicContact CE1-CG 4.49Å; F64-W68 AromaticContact CE2-CE3 3.99Å; F64-W68 HydrophobicContact CE2-CE3 3.99Å; F64-W68 HydrophobicContact CZ-CB 4.39Å; F64-W68 HydrophobicContact CZ-CD2 4.07Å; F64-W68 AromaticContact CZ-CE3 3.62Å; F64-W68 HydrophobicContact CZ-CE3 3.62Å; F64-W68 HydrophobicContact CZ-CG 4.4Å; F64-W68 HydrophobicContact CZ-CZ3 4.3Å; F64-W68 WeakPolarHBondContact O-CB 3.36Å; F64-W68 PolarHBondContact O-N 3.32Å; F64-A135 HydrophobicContact CD2-CB 3.58Å; F64-A135 WeakPolarHBondContact CD2-O 2.97Å; F64-A135 HydrophobicContact CE2-CB 3.59Å; F64-I136 HydrophobicContact CD2-CG2 4.23Å; F64-I136 HydrophobicContact CE2-CG2 4.16Å; F64-L198 HydrophobicContact CB-CD1 4.09Å; F64-L198 HydrophobicContact CB-CD2 3.65Å; F64-L198 HydrophobicContact CB-CG 4.44Å; F64-L198 HydrophobicContact CD1-CB 3.96Å; F64-L198 HydrophobicContact CD1-CD1 4.27Å; F64-L198 HydrophobicContact CD1-CD2 3.8Å; F64-L198 HydrophobicContact CD1-CG 4.22Å; F64-L198 HydrophobicContact CD2-CD1 3.69Å; F64-L198 HydrophobicContact CD2-CG 4.5Å; F64-L198 HydrophobicContact CE1-CB 3.93Å; F64-L198 HydrophobicContact CE2-CD1 4.18Å; F64-L198 HydrophobicContact CG-CB 4.31Å; F64-L198 HydrophobicContact CG-CD1 3.76Å; F64-L198 HydrophobicContact CG-CD2 3.75Å; F64-L198 HydrophobicContact CG-CG 4.14Å; F64-L198 HydrophobicContact CZ-CB 4.29Å; F64-L200 HydrophobicContact CE2-CD1 3.84Å; F64-L200 HydrophobicContact CZ-CD1 3.98Å; F64-L200 HydrophobicContact CZ-CD2 4.23Å; F64-L200 HydrophobicContact CZ-CG 4.2Å
65	K	96	Very high	93.7	Very high	69 Å²	69	71.6 Å²	71.6	30%	0.3	35%	0.35	S	S	.	.	H	α-helix	trans	-61.8	-46.8	179.1	178.3	176.6	141.5	-98.1	0	111.3	R61 E62 R67 W68 E69	R61-K65 VanDerWaalsContact O-CB 3.28Å; R61-K65 WeakPolarHBondContact O-CB 3.41Å; R61-K65 PolarHBondContact O-N 3.46Å; R61-K65 VanDerWaalsContact O-N 3.12Å; E62-K65 WeakPolarHBondContact O-CB 3.49Å; E62-K65 PolarHBondContact O-N 3.3Å; E62-K65 IonicContact OE1-NZ 3.36Å; E62-K65 PolarHBondContact OE1-NZ 3.4Å; E62-K65 IonicContact OE2-NZ 3.38Å; E62-K65 PolarHBondContact OE2-NZ 3.32Å; K65-R67 PolarHBondContact O-N 3.15Å; K65-W68 PolarHBondContact O-N 2.67Å; K65-E69 WeakPolarHBondContact CE-OE2 3.39Å; K65-E69 VanDerWaalsContact CG-CD 3.49Å; K65-E69 HydrophobicContact CG-CG 4.34Å; K65-E69 VanDerWaalsContact CG-OE1 3.28Å; K65-E69 WeakPolarHBondContact CG-OE1 3.46Å; K65-E69 WeakPolarHBondContact O-CB 3.25Å; K65-E69 WeakPolarHBondContact O-CG 3.39Å; K65-E69 PolarHBondContact O-N 3.27Å
66	Q	96.3	Very high	94.2	Very high	98 Å²	98	65.6 Å²	65.6	46%	0.458	33%	0.325	S	S	.	.	H	α-helix	trans	-54.6	-51.1	176.5	-67.6	-79.4	-28.6	0	0	111.2	E62 D63 N70	E62-Q66 HydrophobicContact CG-CG 4.38Å; E62-Q66 VanDerWaalsContact O-CG 3.24Å; E62-Q66 WeakPolarHBondContact O-CG 3.19Å; E62-Q66 PolarHBondContact O-N 2.94Å; E62-Q66 PolarHBondContact OE1-NE2 3.48Å; D63-Q66 PolarHBondContact O-N 2.93Å; Q66-N70 WeakPolarHBondContact O-CB 3.28Å; Q66-N70 PolarHBondContact O-N 3.39Å; Q66-N70 PolarHBondContact O-ND2 3.45Å
67	R	96	Very high	94.5	Very high	93 Å²	93	66.5 Å²	66.5	35%	0.351	34%	0.336	S	S	.	.	H	α-helix	trans	-70.6	-27.6	179	-61.4	178.7	-164.7	-172.1	7.5	113.9	D63 F64 K65 Q134 A135 D137	D63-R67 WeakPolarHBondContact O-CG 3.37Å; D63-R67 PolarHBondContact O-N 3.02Å; F64-R67 PolarHBondContact O-N 2.89Å; K65-R67 PolarHBondContact O-N 3.15Å; R67-Q134 WeakPolarHBondContact CD-O 3.17Å; R67-A135 HydrophobicContact CB-CB 3.91Å; R67-D137 IonicContact CZ-OD2 2.83Å; R67-D137 VanDerWaalsContact CZ-OD2 3.25Å; R67-D137 IonicContact NH1-OD2 2.89Å; R67-D137 PolarHBondContact NH1-OD2 2.82Å; R67-D137 IonicContact NH2-OD2 2.7Å; R67-D137 PolarHBondContact NH2-OD2 3.31Å
68	W	95.5	Very high	94.6	Very high	41 Å²	41	67.6 Å²	67.6	16%	0.155	34%	0.341	C	S	.	.	H	α-helix	trans	-77.5	-37.8	177.8	-179.8	-85.5	0	0	0	112.9	F64 K65 R131 I132 A135 R228	F64-W68 HydrophobicContact CE1-CB 4.38Å; F64-W68 HydrophobicContact CE1-CE3 4.5Å; F64-W68 HydrophobicContact CE1-CG 4.49Å; F64-W68 AromaticContact CE2-CE3 3.99Å; F64-W68 HydrophobicContact CE2-CE3 3.99Å; F64-W68 HydrophobicContact CZ-CB 4.39Å; F64-W68 HydrophobicContact CZ-CD2 4.07Å; F64-W68 AromaticContact CZ-CE3 3.62Å; F64-W68 HydrophobicContact CZ-CE3 3.62Å; F64-W68 HydrophobicContact CZ-CG 4.4Å; F64-W68 HydrophobicContact CZ-CZ3 4.3Å; F64-W68 WeakPolarHBondContact O-CB 3.36Å; F64-W68 PolarHBondContact O-N 3.32Å; K65-W68 PolarHBondContact O-N 2.67Å; W68-R131 HydrophobicContact CD2-CG 4.34Å; W68-R131 HydrophobicContact CE3-CG 3.96Å; W68-R131 HydrophobicContact CH2-CB 4.43Å; W68-R131 HydrophobicContact CH2-CG 4.03Å; W68-R131 HydrophobicContact CZ2-CG 4.39Å; W68-R131 HydrophobicContact CZ3-CB 4.19Å; W68-R131 HydrophobicContact CZ3-CG 3.79Å; W68-R131 PolarHBondContact O-NE 3.3Å; W68-R131 PolarHBondContact O-NH2 3.36Å; W68-I132 HydrophobicContact CH2-CG1 4.24Å; W68-I132 HydrophobicContact CZ3-CG1 3.69Å; W68-A135 HydrophobicContact CB-CB 4.32Å; W68-A135 HydrophobicContact CE3-CB 4.34Å; W68-R228 HydrophobicContact CH2-CB 4.34Å; W68-R228 HydrophobicContact CZ2-CB 4.47Å
69	E	94.8	Very high	94.8	Very high	105 Å²	105	70 Å²	70	49%	0.491	35%	0.354	S	S	.	.	H	α-helix	trans	-80.5	-31.7	179.1	-70.1	172.3	-176.1	0	0	111.3	K65 P71	K65-E69 WeakPolarHBondContact CE-OE2 3.39Å; K65-E69 VanDerWaalsContact CG-CD 3.49Å; K65-E69 HydrophobicContact CG-CG 4.34Å; K65-E69 VanDerWaalsContact CG-OE1 3.28Å; K65-E69 WeakPolarHBondContact CG-OE1 3.46Å; K65-E69 WeakPolarHBondContact O-CB 3.25Å; K65-E69 WeakPolarHBondContact O-CG 3.39Å; K65-E69 PolarHBondContact O-N 3.27Å; E69-P71 VanDerWaalsContact O-CD 3.24Å; E69-P71 WeakPolarHBondContact O-CD 3.45Å
70	N	94.2	Very high	95	Very high	111 Å²	111	66.4 Å²	66.4	59%	0.594	34%	0.341	S	S	*	.	S	Bend	trans	-116	77.9	177.5	-53.7	-85.4	0	0	0	110.9	Q66 A72	Q66-N70 WeakPolarHBondContact O-CB 3.28Å; Q66-N70 PolarHBondContact O-N 3.39Å; Q66-N70 PolarHBondContact O-ND2 3.45Å; N70-A72 PolarHBondContact O-N 3.19Å
71	P	91.1	Very high	95.2	Very high	34 Å²	34	66.4 Å²	66.4	22%	0.221	34%	0.341	C	S	.	.			trans	-68.5	122	-176.7	29.4	-36.6	0	0	0	112	E69	E69-P71 VanDerWaalsContact O-CD 3.24Å; E69-P71 WeakPolarHBondContact O-CD 3.45Å
72	A	91.8	Very high	95.2	Very high	56 Å²	56	65.2 Å²	65.2	46%	0.463	34%	0.341	S	S	.	.			trans	-68	141.1	171.5	0	0	0	0	0	110.9	N70 T75 K130 Q134	N70-A72 PolarHBondContact O-N 3.19Å; A72-T75 HydrophobicContact CB-CG2 3.94Å; A72-K130 PolarHBondContact O-NZ 3.47Å; A72-Q134 PolarHBondContact O-OE1 3.31Å
73	Q	90.9	Very high	95.2	Very high	85 Å²	85	65.9 Å²	65.9	40%	0.397	34%	0.34	S	S	.	.			trans	-135.8	149.1	-175.7	-70.4	172	-2.7	0	0	110.5	T75 E403	Q73-T75 VanDerWaalsContact C-N 3.32Å; Q73-T75 PolarHBondContact O-N 3.03Å; Q73-E403 PolarHBondContact NE2-O 2.92Å
74	N	92.4	Very high	95	Very high	86 Å²	86	66.5 Å²	66.5	46%	0.46	34%	0.343	S	S	.	.			trans	45.6	50.6	177.4	-59.6	-37.7	0	0	0	113.7	A76 S147	N74-A76 PolarHBondContact O-N 3.01Å; N74-S147 WeakPolarHBondContact CA-O 3.2Å; N74-S147 PolarHBondContact N-O 3.27Å
75	T	95.8	Very high	94.6	Very high	64 Å²	64	68.4 Å²	68.4	39%	0.393	35%	0.351	S	S	.	.			trans	-80.1	-0.1	-173.5	50.9	0	0	0	0	114.7	A72 Q73 F146 S147	A72-T75 HydrophobicContact CB-CG2 3.94Å; Q73-T75 VanDerWaalsContact C-N 3.32Å; Q73-T75 PolarHBondContact O-N 3.03Å; T75-F146 WeakPolarHBondContact OG1-CA 3.38Å; T75-S147 PolarHBondContact N-O 3.12Å; T75-S147 PolarHBondContact OG1-N 3.36Å
76	A	96.9	Very high	94.3	Very high	18 Å²	18	65.2 Å²	65.2	15%	0.149	34%	0.338	C	S	.	.	S	Bend	trans	-159.9	-178.4	169.7	0	0	0	0	0	108.7	N74 F81 F146 F148	N74-A76 PolarHBondContact O-N 3.01Å; A76-F81 HydrophobicContact CB-CE2 3.8Å; A76-F81 HydrophobicContact CB-CZ 4.09Å; A76-F146 HydrophobicContact CB-CB 3.97Å; A76-F146 HydrophobicContact CB-CD1 3.93Å; A76-F146 HydrophobicContact CB-CG 4.04Å; A76-F148 HydrophobicContact CB-CD1 3.99Å; A76-F148 HydrophobicContact CB-CE1 4.17Å; A76-F148 WeakPolarHBondContact O-CB 3.37Å; A76-F148 WeakPolarHBondContact O-CD1 3.49Å; A76-F148 VanDerWaalsContact O-CG 3.23Å; A76-F148 WeakPolarHBondContact O-CG 3.37Å
77	C	96.4	Very high	93.9	Very high	57 Å²	57	61.2 Å²	61.2	39%	0.385	32%	0.319	S	S	.	.			trans	-126.9	174.1	167.1	75.1	0	0	0	0	111.4	D79 D80 F81	C77-D79 VanDerWaalsContact C-N 3.3Å; C77-D79 PolarHBondContact O-N 2.95Å; C77-D80 PolarHBondContact N-OD2 3.04Å; C77-D80 PolarHBondContact O-N 3.09Å; C77-D80 VanDerWaalsContact SG-CG 3.56Å; C77-D80 PolarHBondContact SG-OD2 3.15Å; C77-F81 VanDerWaalsContact O-CD2 3.28Å; C77-F81 WeakPolarHBondContact O-CD2 3.38Å; C77-F81 WeakPolarHBondContact O-CE2 3.3Å
78	L	95.2	Very high	93.3	Very high	37 Å²	37	57.8 Å²	57.8	19%	0.194	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-65.6	-34.8	-178.6	-173.8	59.4	0	0	0	112.3	D80 F81 M109 F148 Y155	L78-D80 PolarHBondContact O-N 2.76Å; L78-F81 PolarHBondContact O-N 3.12Å; L78-M109 HydrophobicContact CD1-CE 4.23Å; L78-M109 HydrophobicContact CD1-SD 3.97Å; L78-F148 HydrophobicContact CB-CE2 4Å; L78-F148 HydrophobicContact CB-CZ 4.41Å; L78-F148 VanDerWaalsContact N-CE2 3.32Å; L78-Y155 HydrophobicContact CD1-CD1 4.31Å; L78-Y155 HydrophobicContact CD1-CE1 3.69Å
79	D	96.6	Very high	92.8	Very high	127 Å²	127	59.6 Å²	59.6	68%	0.679	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-73.2	-10.6	-176.7	-68.6	-34.8	0	0	0	113.6	C77 F81 K101	C77-D79 VanDerWaalsContact C-N 3.3Å; C77-D79 PolarHBondContact O-N 2.95Å; D79-F81 PolarHBondContact O-N 2.71Å; D79-K101 WeakPolarHBondContact O-CD 3.38Å; D79-K101 WeakPolarHBondContact O-CE 3.49Å; D79-K101 PolarHBondContact O-NZ 3.25Å
80	D	97.4	Very high	92	Very high	61 Å²	61	57 Å²	57	33%	0.326	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-72.5	-8.2	172.4	-62.4	-45.5	0	0	0	112.9	C77 L78 H100 K101	C77-D80 PolarHBondContact N-OD2 3.04Å; C77-D80 PolarHBondContact O-N 3.09Å; C77-D80 VanDerWaalsContact SG-CG 3.56Å; C77-D80 PolarHBondContact SG-OD2 3.15Å; L78-D80 PolarHBondContact O-N 2.76Å; D80-H100 PolarHBondContact O-CD2 3.27Å; D80-K101 WeakPolarHBondContact O-CB 3.4Å; D80-K101 PolarHBondContact O-N 2.86Å
81	F	97.7	Very high	91.1	Very high	7 Å²	7	56.3 Å²	56.3	3%	0.031	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	141.7	-172.6	-57.4	-87.9	0	0	0	113.2	A76 C77 L78 D79 V98 K99 H100 K101 Y107 M109 F146 F148 V157	A76-F81 HydrophobicContact CB-CE2 3.8Å; A76-F81 HydrophobicContact CB-CZ 4.09Å; C77-F81 VanDerWaalsContact O-CD2 3.28Å; C77-F81 WeakPolarHBondContact O-CD2 3.38Å; C77-F81 WeakPolarHBondContact O-CE2 3.3Å; L78-F81 PolarHBondContact O-N 3.12Å; D79-F81 PolarHBondContact O-N 2.71Å; F81-V98 HydrophobicContact CB-CB 4.18Å; F81-V98 HydrophobicContact CB-CG2 4.4Å; F81-V98 HydrophobicContact CD1-CB 4.36Å; F81-V98 HydrophobicContact CD1-CG2 3.73Å; F81-V98 HydrophobicContact CE1-CG2 4.42Å; F81-V98 HydrophobicContact CG-CG2 4.29Å; F81-K99 CarbonylContact C-O 3.55Å; F81-K99 WeakPolarHBondContact CA-O 3.47Å; F81-H100 HydrophobicContact CD1-CB 3.98Å; F81-H100 HydrophobicContact CE1-CB 3.82Å; F81-H100 AromaticContact CE1-CD2 3.76Å; F81-H100 AromaticContact CZ-CD2 3.98Å; F81-K101 WeakPolarHBondContact O-CE 3.44Å; F81-K101 PolarHBondContact O-NZ 3.48Å; F81-Y107 HydrophobicContact CE1-CD2 4.3Å; F81-M109 HydrophobicContact CB-CE 4.03Å; F81-M109 HydrophobicContact CD1-CE 4.27Å; F81-M109 HydrophobicContact CD2-CE 3.52Å; F81-M109 HydrophobicContact CE2-CE 4.04Å; F81-M109 HydrophobicContact CG-CE 3.67Å; F81-F146 HydrophobicContact CE1-CD2 4.23Å; F81-F146 HydrophobicContact CE1-CE2 4.31Å; F81-F146 AromaticContact CZ-CD2 3.78Å; F81-F146 HydrophobicContact CZ-CD2 3.78Å; F81-F146 HydrophobicContact CZ-CE2 4.13Å; F81-F146 HydrophobicContact CZ-CG 4.27Å; F81-F148 HydrophobicContact CD2-CE1 4.44Å; F81-F148 HydrophobicContact CD2-CZ 4.44Å; F81-F148 AromaticContact CE2-CE1 3.84Å; F81-F148 HydrophobicContact CE2-CE1 3.84Å; F81-F148 HydrophobicContact CE2-CZ 4.27Å; F81-V157 HydrophobicContact CE1-CG1 3.92Å; F81-V157 HydrophobicContact CE2-CG2 4.38Å; F81-V157 HydrophobicContact CZ-CG1 4.14Å; F81-V157 HydrophobicContact CZ-CG2 4.07Å
82	D	97	Very high	90.8	Very high	72 Å²	72	56.6 Å²	56.6	39%	0.385	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	127.3	161.7	-63.7	-47	0	0	0	109	V98 K99 K101	D82-V98 CarbonylContact O-C 3.56Å; D82-V98 WeakPolarHBondContact O-CA 3.27Å; D82-V98 WeakPolarHBondContact O-CB 3.35Å; D82-K99 HydrophobicContact CB-CB 4.44Å; D82-K99 PolarHBondContact N-O 3.41Å; D82-K99 PolarHBondContact O-N 2.83Å; D82-K101 WeakPolarHBondContact OD1-CE 3.2Å; D82-K101 IonicContact OD1-NZ 3.25Å
83	R	94	Very high	90.5	Very high	93 Å²	93	55 Å²	55	35%	0.351	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	134.4	173	-54.8	-161.9	-52.5	-101.7	4.5	109.9	M96 E385	R83-M96 HydrophobicContact CB-CE 3.9Å; R83-M96 HydrophobicContact CG-CE 4.34Å; R83-E385 IonicContact CZ-OE2 3.77Å; R83-E385 VanDerWaalsContact CZ-OE2 3.3Å; R83-E385 IonicContact NE-OE1 3.74Å; R83-E385 IonicContact NE-OE2 2.67Å; R83-E385 PolarHBondContact NE-OE2 3.32Å; R83-E385 IonicContact NH2-OE2 3.16Å; R83-E385 PolarHBondContact NH2-OE2 2.84Å
84	I	92.3	Very high	90.5	Very high	80 Å²	80	53.4 Å²	53.4	41%	0.41	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	-56	-171.9	-62.1	164.6	0	0	0	112.7	L97 K99 Y106	I84-L97 HydrophobicContact CB-CB 4.45Å; I84-L97 HydrophobicContact CB-CD2 4.36Å; I84-L97 HydrophobicContact CB-CG 4.27Å; I84-L97 WeakPolarHBondContact CB-O 3.24Å; I84-L97 HydrophobicContact CD1-CD2 4.45Å; I84-L97 HydrophobicContact CD1-CG 4.24Å; I84-L97 HydrophobicContact CG2-CD2 4.06Å; I84-L97 PolarHBondContact N-O 3.32Å; I84-K99 HydrophobicContact CD1-CB 3.8Å; I84-Y106 HydrophobicContact CD1-CD1 3.81Å; I84-Y106 HydrophobicContact CD1-CE1 3.59Å
85	K	89.1	Confident	90.5	Very high	42 Å²	42	51.3 Å²	51.3	18%	0.183	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	144.4	-176.1	179	166.6	172.5	169.3	0	110.8	L87 M96 L97 T376 E381 E382	K85-L87 PolarHBondContact O-N 2.94Å; K85-M96 CarbonylContact O-C 3.58Å; K85-M96 VanDerWaalsContact O-CA 3.29Å; K85-M96 WeakPolarHBondContact O-CA 3.44Å; K85-L97 PolarHBondContact N-O 3.33Å; K85-L97 PolarHBondContact O-N 3.4Å; K85-T376 HydrophobicContact CD-CG2 4.39Å; K85-E381 WeakPolarHBondContact CE-O 3.24Å; K85-E382 IonicContact NZ-OE1 2.72Å; K85-E382 PolarHBondContact NZ-OE1 3.03Å
86	T	89.9	Confident	90.4	Very high	3 Å²	3	48.3 Å²	48.3	2%	0.018	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	122.9	166.9	-59.9	0	0	0	0	109.1	T89 R94 V383	T86-T89 HydrophobicContact CG2-CG2 3.96Å; T86-R94 HydrophobicContact CG2-CB 4.45Å; T86-V383 HydrophobicContact CG2-CB 4.48Å
87	L	86.6	Confident	90.3	Very high	14 Å²	14	47.5 Å²	47.5	7%	0.073	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	-29.3	177.6	-67.7	171.4	0	0	0	112	K85 V95 L97 A108 F160 T376 F379	K85-L87 PolarHBondContact O-N 2.94Å; L87-V95 HydrophobicContact CB-CG1 4.42Å; L87-V95 HydrophobicContact CD1-CG1 4.27Å; L87-V95 PolarHBondContact N-O 2.82Å; L87-L97 HydrophobicContact CD1-CB 4.05Å; L87-L97 HydrophobicContact CD2-CB 4.1Å; L87-L97 HydrophobicContact CG-CB 4.02Å; L87-A108 HydrophobicContact CD1-CB 4.17Å; L87-F160 HydrophobicContact CD1-CD2 3.8Å; L87-F160 HydrophobicContact CD1-CE2 3.59Å; L87-F160 HydrophobicContact CD2-CE2 3.8Å; L87-F160 HydrophobicContact CD2-CZ 4.25Å; L87-F160 HydrophobicContact CG-CE2 4.37Å; L87-T376 HydrophobicContact CD2-CG2 3.66Å; L87-F379 HydrophobicContact CB-CD1 3.91Å; L87-F379 HydrophobicContact CB-CE1 4.2Å; L87-F379 HydrophobicContact CB-CG 4.49Å; L87-F379 HydrophobicContact CD2-CB 4.25Å; L87-F379 HydrophobicContact CD2-CD1 3.88Å; L87-F379 HydrophobicContact CD2-CD2 3.85Å; L87-F379 HydrophobicContact CD2-CE1 4.15Å; L87-F379 HydrophobicContact CD2-CE2 4.13Å; L87-F379 HydrophobicContact CD2-CG 3.71Å; L87-F379 HydrophobicContact CD2-CZ 4.28Å; L87-F379 HydrophobicContact CG-CD1 4.43Å
88	G	84.7	Confident	90.3	Very high	21 Å²	21	44.8 Å²	44.8	22%	0.216	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-177.6	155.9	175.4	0	0	0	0	0	112.5	V95 E381	G88-V95 PolarHBondContact N-O 2.92Å; G88-V95 PolarHBondContact O-N 2.98Å; G88-E381 VanDerWaalsContact CA-OE2 3.3Å; G88-E381 WeakPolarHBondContact CA-OE2 3.44Å
89	T	84.4	Confident	90.5	Very high	78 Å²	78	46.3 Å²	46.3	48%	0.479	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	153.9	179.4	57.3	0	0	0	0	112.8	T86 R94 E381 V383	T86-T89 HydrophobicContact CG2-CG2 3.96Å; T89-R94 HydrophobicContact CG2-CB 4.39Å; T89-E381 WeakPolarHBondContact CG2-OE2 3.24Å; T89-E381 PolarHBondContact N-OE2 2.83Å; T89-E381 PolarHBondContact OG1-OE1 3.2Å; T89-E381 PolarHBondContact OG1-OE2 2.81Å; T89-V383 HydrophobicContact CG2-CG2 4.09Å
90	G	78.3	Confident	90.5	Very high	51 Å²	51	41 Å²	41	53%	0.526	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	170.5	-177.6	0	0	0	0	0	113	F92 G93	G90-F92 PolarHBondContact O-N 3.46Å; G90-F92 VanDerWaalsContact O-N 3.1Å; G90-G93 CarbonylContact C-O 3.57Å; G90-G93 PolarHBondContact N-O 3.26Å; G90-G93 PolarHBondContact O-N 3.16Å
91	S	75.2	Confident	90.5	Very high	96 Å²	96	43.2 Å²	43.2	67%	0.671	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-21.5	-168.1	53.7	0	0	0	0	115.7
92	F	84.2	Confident	90.5	Very high	41 Å²	41	51.4 Å²	51.4	18%	0.18	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-133.7	13.9	175.8	49.1	-89	0	0	0	113.8	G90 L112 D113 K116 V117 L120 Q122	G90-F92 PolarHBondContact O-N 3.46Å; G90-F92 VanDerWaalsContact O-N 3.1Å; F92-L112 HydrophobicContact CD2-CB 4.39Å; F92-L112 HydrophobicContact CD2-CD1 4.36Å; F92-L112 HydrophobicContact CD2-CD2 3.82Å; F92-L112 HydrophobicContact CD2-CG 4.41Å; F92-L112 HydrophobicContact CE2-CD1 4.02Å; F92-L112 HydrophobicContact CE2-CD2 3.82Å; F92-L112 HydrophobicContact CE2-CG 4.44Å; F92-D113 PolarHBondContact O-N 3.43Å; F92-K116 HydrophobicContact CB-CB 3.82Å; F92-V117 HydrophobicContact CB-CG2 4.3Å; F92-V117 HydrophobicContact CD2-CG2 3.68Å; F92-V117 HydrophobicContact CE2-CG2 4.41Å; F92-V117 HydrophobicContact CG-CG2 4.25Å; F92-L120 HydrophobicContact CB-CD1 4.23Å; F92-L120 HydrophobicContact CD1-CD1 4.29Å; F92-Q122 HydrophobicContact CD1-CG 4.29Å; F92-Q122 HydrophobicContact CE1-CG 4.08Å
93	G	85.2	Confident	90.5	Very high	21 Å²	21	50.8 Å²	50.8	22%	0.216	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.3	-170.5	-173.9	0	0	0	0	0	114.8	G90 I111	G90-G93 CarbonylContact C-O 3.57Å; G90-G93 PolarHBondContact N-O 3.26Å; G90-G93 PolarHBondContact O-N 3.16Å; G93-I111 CarbonylContact C-O 3.58Å; G93-I111 WeakPolarHBondContact CA-O 3.17Å
94	R	91.6	Very high	90.5	Very high	53 Å²	53	47.6 Å²	47.6	20%	0.2	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	158.7	173.8	69.5	-179.2	85.1	179.6	10.8	110.4	T86 T89 M96 I111 F389	T86-R94 HydrophobicContact CG2-CB 4.45Å; T89-R94 HydrophobicContact CG2-CB 4.39Å; R94-M96 HydrophobicContact CG-CG 4.05Å; R94-M96 HydrophobicContact CG-SD 4.29Å; R94-I111 HydrophobicContact CG-CB 4.28Å; R94-I111 HydrophobicContact CG-CD1 4.48Å; R94-I111 PolarHBondContact N-O 2.6Å; R94-I111 PolarHBondContact O-N 2.89Å; R94-F389 VanDerWaalsContact CZ-CZ 3.4Å; R94-F389 VanDerWaalsContact NH2-CZ 3.32Å
95	V	92.6	Very high	90.7	Very high	42 Å²	42	47.7 Å²	47.7	26%	0.255	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	133.2	168.8	-172.9	0	0	0	0	108.4	L87 G88 A108 M109 K110	L87-V95 HydrophobicContact CB-CG1 4.42Å; L87-V95 HydrophobicContact CD1-CG1 4.27Å; L87-V95 PolarHBondContact N-O 2.82Å; G88-V95 PolarHBondContact N-O 2.92Å; G88-V95 PolarHBondContact O-N 2.98Å; V95-A108 HydrophobicContact CG1-CB 3.95Å; V95-M109 CarbonylContact C-O 3.49Å; V95-M109 WeakPolarHBondContact CA-O 3.35Å; V95-K110 HydrophobicContact CG2-CB 4.21Å; V95-K110 HydrophobicContact CG2-CG 4.28Å
96	M	94	Very high	91	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	140.2	-179.3	-62.7	-178.6	71.3	0	0	111.3	R83 K85 R94 V98 A108 M109 I111 E385	R83-M96 HydrophobicContact CB-CE 3.9Å; R83-M96 HydrophobicContact CG-CE 4.34Å; K85-M96 CarbonylContact O-C 3.58Å; K85-M96 VanDerWaalsContact O-CA 3.29Å; K85-M96 WeakPolarHBondContact O-CA 3.44Å; R94-M96 HydrophobicContact CG-CG 4.05Å; R94-M96 HydrophobicContact CG-SD 4.29Å; M96-V98 HydrophobicContact CB-CG1 4.33Å; M96-V98 PolarHBondContact O-N 3.32Å; M96-A108 CarbonylContact O-C 3.56Å; M96-A108 WeakPolarHBondContact O-CA 3.33Å; M96-M109 PolarHBondContact N-O 3.27Å; M96-M109 PolarHBondContact O-N 2.8Å; M96-I111 HydrophobicContact CG-CD1 4.24Å; M96-I111 HydrophobicContact SD-CD1 3.52Å; M96-I111 VanDerWaalsContact SD-CD1 3.52Å; M96-E385 HydrophobicContact CE-CG 4.25Å; M96-E385 WeakPolarHBondContact CE-OE1 3.42Å
97	L	95.1	Very high	91.4	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.005	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	125	161.9	-178.9	63.2	0	0	0	107.7	I84 K85 L87 Y106 F160 A374 T376	I84-L97 HydrophobicContact CB-CB 4.45Å; I84-L97 HydrophobicContact CB-CD2 4.36Å; I84-L97 HydrophobicContact CB-CG 4.27Å; I84-L97 WeakPolarHBondContact CB-O 3.24Å; I84-L97 HydrophobicContact CD1-CD2 4.45Å; I84-L97 HydrophobicContact CD1-CG 4.24Å; I84-L97 HydrophobicContact CG2-CD2 4.06Å; I84-L97 PolarHBondContact N-O 3.32Å; K85-L97 PolarHBondContact N-O 3.33Å; K85-L97 PolarHBondContact O-N 3.4Å; L87-L97 HydrophobicContact CD1-CB 4.05Å; L87-L97 HydrophobicContact CD2-CB 4.1Å; L87-L97 HydrophobicContact CG-CB 4.02Å; L97-Y106 HydrophobicContact CD1-CD1 4.24Å; L97-F160 HydrophobicContact CD1-CB 4.33Å; L97-F160 HydrophobicContact CD1-CD1 3.63Å; L97-F160 HydrophobicContact CD1-CD2 3.95Å; L97-F160 HydrophobicContact CD1-CE1 3.82Å; L97-F160 HydrophobicContact CD1-CE2 4.16Å; L97-F160 HydrophobicContact CD1-CG 3.69Å; L97-F160 HydrophobicContact CD1-CZ 4.09Å; L97-A374 HydrophobicContact CD2-CB 4.33Å; L97-T376 HydrophobicContact CD2-CG2 3.67Å
98	V	96.5	Very high	91.8	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	158.2	174.6	-56.5	0	0	0	0	110.2	F81 D82 M96 Y106 Y107 M109	F81-V98 HydrophobicContact CB-CB 4.18Å; F81-V98 HydrophobicContact CB-CG2 4.4Å; F81-V98 HydrophobicContact CD1-CB 4.36Å; F81-V98 HydrophobicContact CD1-CG2 3.73Å; F81-V98 HydrophobicContact CE1-CG2 4.42Å; F81-V98 HydrophobicContact CG-CG2 4.29Å; D82-V98 CarbonylContact O-C 3.56Å; D82-V98 WeakPolarHBondContact O-CA 3.27Å; D82-V98 WeakPolarHBondContact O-CB 3.35Å; M96-V98 HydrophobicContact CB-CG1 4.33Å; M96-V98 PolarHBondContact O-N 3.32Å; V98-Y106 CarbonylContact O-C 3.47Å; V98-Y106 WeakPolarHBondContact O-CA 3.47Å; V98-Y107 PolarHBondContact N-O 3.28Å; V98-Y107 PolarHBondContact O-N 2.79Å; V98-M109 HydrophobicContact CB-CB 4.5Å; V98-M109 HydrophobicContact CG1-CB 3.69Å; V98-M109 HydrophobicContact CG1-CE 4.22Å; V98-M109 HydrophobicContact CG1-SD 4.08Å; V98-M109 HydrophobicContact CG2-CB 3.94Å; V98-M109 HydrophobicContact CG2-CE 4.28Å
99	K	97.5	Very high	92.4	Very high	69 Å²	69	48.6 Å²	48.6	30%	0.3	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	127.2	170.9	-179	-174.7	-179.5	-174.9	0	109.4	F81 D82 I84 K101 G104 N105 Y106	F81-K99 CarbonylContact C-O 3.55Å; F81-K99 WeakPolarHBondContact CA-O 3.47Å; D82-K99 HydrophobicContact CB-CB 4.44Å; D82-K99 PolarHBondContact N-O 3.41Å; D82-K99 PolarHBondContact O-N 2.83Å; I84-K99 HydrophobicContact CD1-CB 3.8Å; K99-K101 PolarHBondContact O-N 2.78Å; K99-G104 WeakPolarHBondContact CE-O 3.48Å; K99-N105 CarbonylContact C-O 3.49Å; K99-N105 WeakPolarHBondContact CA-O 3.4Å; K99-Y106 HydrophobicContact CB-CD1 3.95Å; K99-Y106 HydrophobicContact CB-CE1 3.85Å; K99-Y106 HydrophobicContact CD-CE1 3.94Å; K99-Y106 HydrophobicContact CG-CD1 4.32Å; K99-Y106 HydrophobicContact CG-CE1 4.01Å
100	H	97.9	Very high	92.9	Very high	17 Å²	17	46 Å²	46	8%	0.079	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	120.7	175.1	-179.2	-123.6	0	0	0	109.6	D80 F81 Q102 S103 G104 N105 Y107	D80-H100 PolarHBondContact O-CD2 3.27Å; F81-H100 HydrophobicContact CD1-CB 3.98Å; F81-H100 HydrophobicContact CE1-CB 3.82Å; F81-H100 AromaticContact CE1-CD2 3.76Å; F81-H100 AromaticContact CZ-CD2 3.98Å; H100-Q102 VanDerWaalsContact C-N 3.34Å; H100-Q102 PolarHBondContact O-N 3.37Å; H100-S103 PolarHBondContact ND1-OG 3.48Å; H100-G104 WeakPolarHBondContact O-CA 3.44Å; H100-G104 PolarHBondContact O-N 3.34Å; H100-N105 PolarHBondContact N-O 3.4Å; H100-Y107 HydrophobicContact CB-CD2 4.05Å; H100-Y107 HydrophobicContact CB-CE2 3.7Å
101	K	97.7	Very high	93.8	Very high	106 Å²	106	43.9 Å²	43.9	46%	0.461	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-39.5	-168.9	-72.6	169.5	-179.4	160.8	0	112.9	D79 D80 F81 D82 K99	D79-K101 WeakPolarHBondContact O-CD 3.38Å; D79-K101 WeakPolarHBondContact O-CE 3.49Å; D79-K101 PolarHBondContact O-NZ 3.25Å; D80-K101 WeakPolarHBondContact O-CB 3.4Å; D80-K101 PolarHBondContact O-N 2.86Å; F81-K101 WeakPolarHBondContact O-CE 3.44Å; F81-K101 PolarHBondContact O-NZ 3.48Å; D82-K101 WeakPolarHBondContact OD1-CE 3.2Å; D82-K101 IonicContact OD1-NZ 3.25Å; K99-K101 PolarHBondContact O-N 2.78Å
102	Q	96.5	Very high	94.7	Very high	180 Å²	180	39.5 Å²	39.5	84%	0.841	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-41	-175.4	-167.5	-169.6	30.6	0	0	113.4	H100	H100-Q102 VanDerWaalsContact C-N 3.34Å; H100-Q102 PolarHBondContact O-N 3.37Å
103	S	96.5	Very high	95.1	Very high	59 Å²	59	39.2 Å²	39.2	41%	0.413	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-14.2	-176.4	64.1	0	0	0	0	114.3	H100 N105	H100-S103 PolarHBondContact ND1-OG 3.48Å; S103-N105 PolarHBondContact O-N 2.89Å
104	G	95.4	Very high	95.6	Very high	26 Å²	26	38.4 Å²	38.4	27%	0.268	19%	0.193	S	C	.	.			trans	73.1	-1.1	-175.5	0	0	0	0	0	115.1	K99 H100	K99-G104 WeakPolarHBondContact CE-O 3.48Å; H100-G104 WeakPolarHBondContact O-CA 3.44Å; H100-G104 PolarHBondContact O-N 3.34Å
105	N	95.7	Very high	95.6	Very high	82 Å²	82	40.6 Å²	40.6	44%	0.439	21%	0.206	S	C	.	.			trans	-69.1	148.7	179.8	-70.7	-12.5	0	0	0	112.1	K99 H100 S103 Y107	K99-N105 CarbonylContact C-O 3.49Å; K99-N105 WeakPolarHBondContact CA-O 3.4Å; H100-N105 PolarHBondContact N-O 3.4Å; S103-N105 PolarHBondContact O-N 2.89Å; N105-Y107 HydrophobicContact CB-CD2 4.33Å; N105-Y107 HydrophobicContact CB-CE2 3.48Å; N105-Y107 VanDerWaalsContact CB-CE2 3.48Å; N105-Y107 PolarHBondContact ND2-OH 3.14Å
106	Y	95.8	Very high	95.6	Very high	63 Å²	63	43.4 Å²	43.4	25%	0.247	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	140.9	177	-63.4	-90.4	0	0	0	111.6	I84 L97 V98 K99 P373 A374	I84-Y106 HydrophobicContact CD1-CD1 3.81Å; I84-Y106 HydrophobicContact CD1-CE1 3.59Å; L97-Y106 HydrophobicContact CD1-CD1 4.24Å; V98-Y106 CarbonylContact O-C 3.47Å; V98-Y106 WeakPolarHBondContact O-CA 3.47Å; K99-Y106 HydrophobicContact CB-CD1 3.95Å; K99-Y106 HydrophobicContact CB-CE1 3.85Å; K99-Y106 HydrophobicContact CD-CE1 3.94Å; K99-Y106 HydrophobicContact CG-CD1 4.32Å; K99-Y106 HydrophobicContact CG-CE1 4.01Å; Y106-P373 HydrophobicContact CD2-CB 3.82Å; Y106-P373 HydrophobicContact CD2-CG 3.89Å; Y106-P373 HydrophobicContact CE2-CB 4.22Å; Y106-P373 HydrophobicContact CE2-CG 3.76Å; Y106-A374 HydrophobicContact CD1-CB 3.91Å; Y106-A374 HydrophobicContact CE1-CB 3.58Å; Y106-A374 HydrophobicContact CE2-CB 4.34Å; Y106-A374 HydrophobicContact CG-CB 4.41Å
107	Y	97.3	Very high	95.5	Very high	24 Å²	24	43.4 Å²	43.4	9%	0.094	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	157.7	-175.5	-63.6	-83.7	0	0	0	111.5	F81 V98 H100 N105 T145 F146 V157 L158	F81-Y107 HydrophobicContact CE1-CD2 4.3Å; V98-Y107 PolarHBondContact N-O 3.28Å; V98-Y107 PolarHBondContact O-N 2.79Å; H100-Y107 HydrophobicContact CB-CD2 4.05Å; H100-Y107 HydrophobicContact CB-CE2 3.7Å; N105-Y107 HydrophobicContact CB-CD2 4.33Å; N105-Y107 HydrophobicContact CB-CE2 3.48Å; N105-Y107 VanDerWaalsContact CB-CE2 3.48Å; N105-Y107 PolarHBondContact ND2-OH 3.14Å; Y107-T145 HydrophobicContact CE1-CG2 4.11Å; Y107-T145 WeakPolarHBondContact CE1-OG1 3.36Å; Y107-F146 HydrophobicContact CE1-CE2 4.37Å; Y107-F146 HydrophobicContact CE2-CE2 4.15Å; Y107-F146 AromaticContact CZ-CE2 3.98Å; Y107-V157 VanDerWaalsContact CB-CG1 3.43Å; Y107-V157 HydrophobicContact CD1-CG1 4.04Å; Y107-V157 HydrophobicContact CD2-CG1 4.34Å; Y107-V157 HydrophobicContact CG-CG1 3.7Å; Y107-L158 CarbonylContact C-O 3.57Å; Y107-L158 WeakPolarHBondContact CA-O 3.49Å; Y107-L158 VanDerWaalsContact CB-O 3.31Å; Y107-L158 WeakPolarHBondContact CB-O 3.48Å; Y107-L158 WeakPolarHBondContact CD1-O 3.2Å
108	A	96.2	Very high	95.4	Very high	11 Å²	11	45.5 Å²	45.5	9%	0.091	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	103.6	169.7	0	0	0	0	0	109.8	L87 V95 M96 L158 F160	L87-A108 HydrophobicContact CD1-CB 4.17Å; V95-A108 HydrophobicContact CG1-CB 3.95Å; M96-A108 CarbonylContact O-C 3.56Å; M96-A108 WeakPolarHBondContact O-CA 3.33Å; A108-L158 HydrophobicContact CB-CB 4.32Å; A108-L158 PolarHBondContact N-O 3Å; A108-L158 WeakPolarHBondContact O-CB 3.46Å; A108-L158 PolarHBondContact O-N 3.42Å; A108-F160 HydrophobicContact CB-CD2 4.44Å
109	M	97.1	Very high	95.1	Very high	0 Å²	0	54 Å²	54	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	107.5	177.7	-176.3	-177.6	-80	0	0	110.3	L78 F81 V95 M96 V98 I111 F148 Y155 M156 V157	L78-M109 HydrophobicContact CD1-CE 4.23Å; L78-M109 HydrophobicContact CD1-SD 3.97Å; F81-M109 HydrophobicContact CB-CE 4.03Å; F81-M109 HydrophobicContact CD1-CE 4.27Å; F81-M109 HydrophobicContact CD2-CE 3.52Å; F81-M109 HydrophobicContact CE2-CE 4.04Å; F81-M109 HydrophobicContact CG-CE 3.67Å; V95-M109 CarbonylContact C-O 3.49Å; V95-M109 WeakPolarHBondContact CA-O 3.35Å; M96-M109 PolarHBondContact N-O 3.27Å; M96-M109 PolarHBondContact O-N 2.8Å; V98-M109 HydrophobicContact CB-CB 4.5Å; V98-M109 HydrophobicContact CG1-CB 3.69Å; V98-M109 HydrophobicContact CG1-CE 4.22Å; V98-M109 HydrophobicContact CG1-SD 4.08Å; V98-M109 HydrophobicContact CG2-CB 3.94Å; V98-M109 HydrophobicContact CG2-CE 4.28Å; M109-I111 HydrophobicContact CG-CD1 4.38Å; M109-I111 HydrophobicContact CG-CG1 3.79Å; M109-I111 PolarHBondContact O-N 3.3Å; M109-I111 HydrophobicContact SD-CD1 4.06Å; M109-I111 HydrophobicContact SD-CG1 4.02Å; M109-F148 HydrophobicContact CE-CE1 4.25Å; M109-F148 HydrophobicContact CE-CZ 3.84Å; M109-Y155 HydrophobicContact CG-CD1 4.02Å; M109-Y155 HydrophobicContact SD-CD1 3.6Å; M109-Y155 HydrophobicContact SD-CE1 4.04Å; M109-M156 CarbonylContact C-O 3.43Å; M109-M156 WeakPolarHBondContact CA-O 3.32Å; M109-V157 HydrophobicContact CE-CG2 3.93Å; M109-V157 HydrophobicContact CG-CG2 4.28Å
110	K	95.4	Very high	94.7	Very high	24 Å²	24	54.5 Å²	54.5	10%	0.104	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	107.8	170.8	-179.2	167.3	171	179.5	0	108.2	V95 L112 E129 M156 L158 D222	V95-K110 HydrophobicContact CG2-CB 4.21Å; V95-K110 HydrophobicContact CG2-CG 4.28Å; K110-L112 HydrophobicContact CG-CD2 3.85Å; K110-L112 HydrophobicContact CG-CG 4.35Å; K110-E129 IonicContact NZ-OE1 3.6Å; K110-E129 PolarHBondContact NZ-OE1 3.33Å; K110-E129 IonicContact NZ-OE2 3.49Å; K110-E129 PolarHBondContact NZ-OE2 3.27Å; K110-M156 HydrophobicContact CB-CB 4.4Å; K110-M156 HydrophobicContact CD-CE 3.94Å; K110-M156 HydrophobicContact CG-CE 4.21Å; K110-M156 PolarHBondContact N-O 2.72Å; K110-M156 PolarHBondContact O-N 2.97Å; K110-L158 HydrophobicContact CB-CD1 4.4Å; K110-D222 IonicContact NZ-OD1 3.84Å; K110-D222 PolarHBondContact NZ-OD1 2.58Å
111	I	95.9	Very high	94.4	Very high	6 Å²	6	62.5 Å²	62.5	3%	0.031	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	119.4	-177.7	-50.6	178.2	0	0	0	108.8	G93 R94 M96 M109 N153 Y155	G93-I111 CarbonylContact C-O 3.58Å; G93-I111 WeakPolarHBondContact CA-O 3.17Å; R94-I111 HydrophobicContact CG-CB 4.28Å; R94-I111 HydrophobicContact CG-CD1 4.48Å; R94-I111 PolarHBondContact N-O 2.6Å; R94-I111 PolarHBondContact O-N 2.89Å; M96-I111 HydrophobicContact CG-CD1 4.24Å; M96-I111 HydrophobicContact SD-CD1 3.52Å; M96-I111 VanDerWaalsContact SD-CD1 3.52Å; M109-I111 HydrophobicContact CG-CD1 4.38Å; M109-I111 HydrophobicContact CG-CG1 3.79Å; M109-I111 PolarHBondContact O-N 3.3Å; M109-I111 HydrophobicContact SD-CD1 4.06Å; M109-I111 HydrophobicContact SD-CG1 4.02Å; I111-N153 HydrophobicContact CG2-CB 4.19Å; I111-Y155 HydrophobicContact CB-CD1 4.37Å; I111-Y155 HydrophobicContact CB-CE1 4.25Å; I111-Y155 HydrophobicContact CD1-CD1 4.46Å; I111-Y155 HydrophobicContact CD1-CE1 4.02Å; I111-Y155 HydrophobicContact CG1-CD1 3.84Å; I111-Y155 HydrophobicContact CG1-CE1 3.81Å; I111-Y155 HydrophobicContact CG2-CD1 4.13Å; I111-Y155 HydrophobicContact CG2-CE1 3.63Å
112	L	94.4	Very high	94	Very high	4 Å²	4	59.6 Å²	59.6	2%	0.021	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	130.8	-177.3	-49.3	180	0	0	0	111	F92 K110 V117 T126 N153 L154 M156	F92-L112 HydrophobicContact CD2-CB 4.39Å; F92-L112 HydrophobicContact CD2-CD1 4.36Å; F92-L112 HydrophobicContact CD2-CD2 3.82Å; F92-L112 HydrophobicContact CD2-CG 4.41Å; F92-L112 HydrophobicContact CE2-CD1 4.02Å; F92-L112 HydrophobicContact CE2-CD2 3.82Å; F92-L112 HydrophobicContact CE2-CG 4.44Å; K110-L112 HydrophobicContact CG-CD2 3.85Å; K110-L112 HydrophobicContact CG-CG 4.35Å; L112-V117 HydrophobicContact CB-CG2 4.08Å; L112-T126 HydrophobicContact CD1-CG2 3.55Å; L112-N153 CarbonylContact O-C 3.49Å; L112-N153 VanDerWaalsContact O-CA 3.25Å; L112-N153 WeakPolarHBondContact O-CA 3.36Å; L112-L154 HydrophobicContact CB-CB 4.32Å; L112-L154 PolarHBondContact N-O 2.87Å; L112-L154 PolarHBondContact O-N 3.5Å; L112-M156 HydrophobicContact CD1-CE 3.77Å
113	D	93.9	Very high	93.8	Very high	35 Å²	35	52.5 Å²	52.5	19%	0.187	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	118.1	-179.2	170.2	-32.4	0	0	0	110	F92 Q115 K116 V117	F92-D113 PolarHBondContact O-N 3.43Å; D113-Q115 VanDerWaalsContact C-N 3.27Å; D113-Q115 PolarHBondContact O-N 3.16Å; D113-Q115 WeakPolarHBondContact OD1-CA 3.22Å; D113-Q115 WeakPolarHBondContact OD1-CB 3.22Å; D113-Q115 PolarHBondContact OD1-N 3.04Å; D113-K116 HydrophobicContact CB-CB 3.99Å; D113-K116 HydrophobicContact CB-CD 3.94Å; D113-K116 HydrophobicContact CB-CG 4.05Å; D113-K116 PolarHBondContact O-N 3.33Å; D113-K116 VanDerWaalsContact O-N 3.16Å; D113-K116 PolarHBondContact OD1-N 2.97Å; D113-K116 WeakPolarHBondContact OD2-CD 3.33Å; D113-K116 WeakPolarHBondContact OD2-CE 3.31Å; D113-K116 WeakPolarHBondContact OD2-CG 3.43Å; D113-K116 IonicContact OD2-NZ 3.41Å; D113-K116 PolarHBondContact OD2-NZ 3.21Å; D113-V117 WeakPolarHBondContact O-CG2 3.47Å; D113-V117 PolarHBondContact O-N 3.39Å
114	K	93.9	Very high	93.5	Very high	5 Å²	5	55.2 Å²	55.2	2%	0.022	27%	0.267	C	S	.	.	H	α-helix	trans	-57.4	-39.6	-176.6	-74.3	178.7	169.2	178.8	0	112.1	V118 D150 S152 N153 L154 L397 F401	K114-V118 VanDerWaalsContact O-CG2 3.29Å; K114-V118 WeakPolarHBondContact O-CG2 3.4Å; K114-V118 PolarHBondContact O-N 2.97Å; K114-V118 VanDerWaalsContact O-N 3.09Å; K114-D150 WeakPolarHBondContact CE-O 3.48Å; K114-D150 PolarHBondContact NZ-O 3.18Å; K114-S152 VanDerWaalsContact CB-O 3.28Å; K114-S152 WeakPolarHBondContact CB-O 3.31Å; K114-S152 WeakPolarHBondContact CG-O 3.16Å; K114-S152 PolarHBondContact N-O 3.48Å; K114-N153 WeakPolarHBondContact CE-O 3.46Å; K114-L154 HydrophobicContact CD-CD2 4.38Å; K114-L154 VanDerWaalsContact CE-CD2 3.48Å; K114-L154 HydrophobicContact CG-CD2 4.01Å; K114-L154 HydrophobicContact CG-CG 3.91Å; K114-L397 HydrophobicContact CB-CD1 4.2Å; K114-F401 HydrophobicContact CB-CD2 4.33Å; K114-F401 HydrophobicContact CB-CE2 3.85Å; K114-F401 HydrophobicContact CD-CD2 3.94Å; K114-F401 HydrophobicContact CD-CE2 4.31Å; K114-F401 HydrophobicContact CG-CD2 3.82Å; K114-F401 HydrophobicContact CG-CE2 3.77Å
115	Q	92.1	Very high	93.1	Very high	99 Å²	99	55.7 Å²	55.7	46%	0.463	26%	0.263	S	S	.	.	H	α-helix	trans	-69.5	-39.9	-179	-56.5	-171.3	1.7	0	0	110.8	D113 K119 T394 L397	D113-Q115 VanDerWaalsContact C-N 3.27Å; D113-Q115 PolarHBondContact O-N 3.16Å; D113-Q115 WeakPolarHBondContact OD1-CA 3.22Å; D113-Q115 WeakPolarHBondContact OD1-CB 3.22Å; D113-Q115 PolarHBondContact OD1-N 3.04Å; Q115-K119 WeakPolarHBondContact O-CB 3.21Å; Q115-K119 PolarHBondContact O-N 3.45Å; Q115-T394 PolarHBondContact NE2-OG1 3.25Å; Q115-L397 HydrophobicContact CB-CD1 4.39Å; Q115-L397 HydrophobicContact CG-CD1 3.75Å
116	K	92	Very high	93	Very high	100 Å²	100	51.9 Å²	51.9	44%	0.435	24%	0.242	S	C	.	.	H	α-helix	trans	-68.2	-43.6	174.6	-68.6	179.7	-170.8	117.7	0	112.5	F92 D113 V118 K119 L120	F92-K116 HydrophobicContact CB-CB 3.82Å; D113-K116 HydrophobicContact CB-CB 3.99Å; D113-K116 HydrophobicContact CB-CD 3.94Å; D113-K116 HydrophobicContact CB-CG 4.05Å; D113-K116 PolarHBondContact O-N 3.33Å; D113-K116 VanDerWaalsContact O-N 3.16Å; D113-K116 PolarHBondContact OD1-N 2.97Å; D113-K116 WeakPolarHBondContact OD2-CD 3.33Å; D113-K116 WeakPolarHBondContact OD2-CE 3.31Å; D113-K116 WeakPolarHBondContact OD2-CG 3.43Å; D113-K116 IonicContact OD2-NZ 3.41Å; D113-K116 PolarHBondContact OD2-NZ 3.21Å; K116-V118 VanDerWaalsContact C-N 3.31Å; K116-V118 PolarHBondContact O-N 3.11Å; K116-K119 PolarHBondContact O-N 3.28Å; K116-L120 WeakPolarHBondContact O-CB 3.43Å; K116-L120 WeakPolarHBondContact O-CG 3.46Å; K116-L120 PolarHBondContact O-N 2.81Å
117	V	92.5	Very high	92.9	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-57.2	-44.6	176.3	170.2	0	0	0	0	110.8	F92 L112 D113 K121 Q122 V123 F401	F92-V117 HydrophobicContact CB-CG2 4.3Å; F92-V117 HydrophobicContact CD2-CG2 3.68Å; F92-V117 HydrophobicContact CE2-CG2 4.41Å; F92-V117 HydrophobicContact CG-CG2 4.25Å; L112-V117 HydrophobicContact CB-CG2 4.08Å; D113-V117 WeakPolarHBondContact O-CG2 3.47Å; D113-V117 PolarHBondContact O-N 3.39Å; V117-K121 PolarHBondContact O-N 2.95Å; V117-Q122 HydrophobicContact CG1-CB 4.23Å; V117-Q122 PolarHBondContact O-N 3.04Å; V117-V123 HydrophobicContact CG1-CG2 4.18Å; V117-F401 HydrophobicContact CB-CZ 4.27Å; V117-F401 HydrophobicContact CG1-CE1 4.02Å; V117-F401 HydrophobicContact CG1-CZ 3.78Å
118	V	92.8	Very high	92.7	Very high	46 Å²	46	50.9 Å²	50.9	28%	0.279	24%	0.242	S	C	.	.	H	α-helix	trans	-68.8	-47.8	176.6	173.5	0	0	0	0	111.6	K114 K116 L120 K121 V123 L397 L400 F401	K114-V118 VanDerWaalsContact O-CG2 3.29Å; K114-V118 WeakPolarHBondContact O-CG2 3.4Å; K114-V118 PolarHBondContact O-N 2.97Å; K114-V118 VanDerWaalsContact O-N 3.09Å; K116-V118 VanDerWaalsContact C-N 3.31Å; K116-V118 PolarHBondContact O-N 3.11Å; V118-L120 VanDerWaalsContact C-N 3.29Å; V118-L120 PolarHBondContact O-N 3.4Å; V118-K121 PolarHBondContact O-N 2.84Å; V118-V123 HydrophobicContact CB-CG2 4.43Å; V118-V123 HydrophobicContact CG2-CG2 3.74Å; V118-L397 HydrophobicContact CG1-CD2 4.41Å; V118-L397 HydrophobicContact CG2-CD2 4.23Å; V118-L400 HydrophobicContact CG1-CD1 4.36Å; V118-L400 HydrophobicContact CG2-CD1 3.77Å; V118-F401 HydrophobicContact CG2-CE2 3.93Å; V118-F401 HydrophobicContact CG2-CZ 3.91Å
119	K	91.7	Very high	92.6	Very high	178 Å²	178	50.6 Å²	50.6	77%	0.774	24%	0.239	S	C	*	.	H	α-helix	trans	-59.4	-36.6	179.4	-178.2	176.1	179	178.6	0	113.1	Q115 K116 K121	Q115-K119 WeakPolarHBondContact O-CB 3.21Å; Q115-K119 PolarHBondContact O-N 3.45Å; K116-K119 PolarHBondContact O-N 3.28Å; K119-K121 VanDerWaalsContact C-N 3.34Å
120	L	88.9	Confident	92.5	Very high	80 Å²	80	50.7 Å²	50.7	42%	0.419	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	6.7	176.5	-60.7	-177.3	0	0	0	113.5	F92 K116 V118 Q122	F92-L120 HydrophobicContact CB-CD1 4.23Å; F92-L120 HydrophobicContact CD1-CD1 4.29Å; K116-L120 WeakPolarHBondContact O-CB 3.43Å; K116-L120 WeakPolarHBondContact O-CG 3.46Å; K116-L120 PolarHBondContact O-N 2.81Å; V118-L120 VanDerWaalsContact C-N 3.29Å; V118-L120 PolarHBondContact O-N 3.4Å; L120-Q122 VanDerWaalsContact C-N 3.28Å; L120-Q122 HydrophobicContact CB-CG 4.11Å; L120-Q122 PolarHBondContact O-N 3.25Å; L120-Q122 PolarHBondContact O-NE2 2.79Å
121	K	90	Very high	92.6	Very high	184 Å²	184	52.4 Å²	52.4	80%	0.8	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.4	33	178.3	-55.1	-177.4	179	-178.8	0	114.5	V117 V118 K119	V117-K121 PolarHBondContact O-N 2.95Å; V118-K121 PolarHBondContact O-N 2.84Å; K119-K121 VanDerWaalsContact C-N 3.34Å
122	Q	90.1	Very high	92.6	Very high	46 Å²	46	52.1 Å²	52.1	22%	0.215	24%	0.244	C	C	.	.			trans	-92.7	5.3	-178.3	-59.6	-51.8	-58.5	0	0	114.2	F92 V117 L120 E124 H125 T126	F92-Q122 HydrophobicContact CD1-CG 4.29Å; F92-Q122 HydrophobicContact CE1-CG 4.08Å; V117-Q122 HydrophobicContact CG1-CB 4.23Å; V117-Q122 PolarHBondContact O-N 3.04Å; L120-Q122 VanDerWaalsContact C-N 3.28Å; L120-Q122 HydrophobicContact CB-CG 4.11Å; L120-Q122 PolarHBondContact O-N 3.25Å; L120-Q122 PolarHBondContact O-NE2 2.79Å; Q122-E124 PolarHBondContact O-N 2.61Å; Q122-H125 PolarHBondContact O-N 3.19Å; Q122-H125 PolarHBondContact OE1-ND1 3.21Å; Q122-T126 PolarHBondContact O-N 2.87Å; Q122-T126 PolarHBondContact O-OG1 3.06Å
123	V	92.2	Very high	92.7	Very high	30 Å²	30	52.1 Å²	52.1	18%	0.182	24%	0.244	C	C	.	.	H	α-helix	trans	-51.5	-50	-175.7	-177.6	0	0	0	0	112.8	V117 V118 H125 T126 L127 F401	V117-V123 HydrophobicContact CG1-CG2 4.18Å; V118-V123 HydrophobicContact CB-CG2 4.43Å; V118-V123 HydrophobicContact CG2-CG2 3.74Å; V123-H125 PolarHBondContact O-N 2.92Å; V123-T126 PolarHBondContact O-N 2.95Å; V123-L127 HydrophobicContact CG1-CD1 3.94Å; V123-L127 WeakPolarHBondContact O-CB 3.39Å; V123-L127 WeakPolarHBondContact O-CG 3.49Å; V123-L127 PolarHBondContact O-N 3.41Å; V123-F401 HydrophobicContact CB-CE1 4.46Å; V123-F401 HydrophobicContact CG1-CE1 3.89Å; V123-F401 HydrophobicContact CG1-CZ 4.37Å; V123-F401 HydrophobicContact CG2-CE1 4.35Å; V123-F401 HydrophobicContact CG2-CZ 4.1Å
124	E	90	Very high	92.9	Very high	116 Å²	116	51.5 Å²	51.5	54%	0.542	24%	0.24	S	C	.	.	H	α-helix	trans	-60	-47.5	177.6	-171.3	-166.1	141.4	0	0	111.1	Q122 T126 L127 N128 K227	Q122-E124 PolarHBondContact O-N 2.61Å; E124-T126 PolarHBondContact O-N 3.23Å; E124-L127 PolarHBondContact O-N 2.85Å; E124-N128 WeakPolarHBondContact O-CB 3.28Å; E124-N128 PolarHBondContact O-N 3.29Å; E124-K227 IonicContact OE1-NZ 2.82Å; E124-K227 PolarHBondContact OE1-NZ 3.46Å
125	H	88.1	Confident	93	Very high	37 Å²	37	51.3 Å²	51.3	17%	0.171	24%	0.239	C	C	.	.	H	α-helix	trans	-63.3	-42.7	-179	-63.8	155.9	0	0	0	112	Q122 V123 N128 E129	Q122-H125 PolarHBondContact O-N 3.19Å; Q122-H125 PolarHBondContact OE1-ND1 3.21Å; V123-H125 PolarHBondContact O-N 2.92Å; H125-N128 PolarHBondContact O-N 3.24Å; H125-E129 VanDerWaalsContact O-CB 3.26Å; H125-E129 WeakPolarHBondContact O-CB 3.47Å; H125-E129 PolarHBondContact O-N 2.84Å
126	T	93	Very high	93.3	Very high	2 Å²	2	46.8 Å²	46.8	1%	0.012	22%	0.218	C	C	.	.	H	α-helix	trans	-66.8	-43	178.8	-58.8	0	0	0	0	112.5	L112 Q122 V123 E124 K130 L154 F404	L112-T126 HydrophobicContact CD1-CG2 3.55Å; Q122-T126 PolarHBondContact O-N 2.87Å; Q122-T126 PolarHBondContact O-OG1 3.06Å; V123-T126 PolarHBondContact O-N 2.95Å; E124-T126 PolarHBondContact O-N 3.23Å; T126-K130 WeakPolarHBondContact O-CB 3.37Å; T126-K130 PolarHBondContact O-N 2.99Å; T126-K130 VanDerWaalsContact O-N 3.14Å; T126-L154 HydrophobicContact CG2-CD1 3.71Å; T126-F404 HydrophobicContact CG2-CE2 4.08Å
127	L	93.5	Very high	93.5	Very high	41 Å²	41	45.2 Å²	45.2	22%	0.215	22%	0.215	C	C	.	.	H	α-helix	trans	-64.9	-43.5	175.1	-71.2	170.8	0	0	0	111.3	V123 E124 R131 F401 F404	V123-L127 HydrophobicContact CG1-CD1 3.94Å; V123-L127 WeakPolarHBondContact O-CB 3.39Å; V123-L127 WeakPolarHBondContact O-CG 3.49Å; V123-L127 PolarHBondContact O-N 3.41Å; E124-L127 PolarHBondContact O-N 2.85Å; L127-R131 VanDerWaalsContact O-CB 3.24Å; L127-R131 WeakPolarHBondContact O-CB 3.45Å; L127-R131 PolarHBondContact O-N 3.04Å; L127-F401 HydrophobicContact CD2-CD1 4.29Å; L127-F404 HydrophobicContact CD2-CB 4.11Å; L127-F404 HydrophobicContact CD2-CD2 4.3Å
128	N	92.3	Very high	93.7	Very high	24 Å²	24	45.4 Å²	45.4	13%	0.128	22%	0.216	C	C	.	.	H	α-helix	trans	-67.7	-40.1	178	165.6	97.7	0	0	0	112.4	E124 H125 R131 I132 A226	E124-N128 WeakPolarHBondContact O-CB 3.28Å; E124-N128 PolarHBondContact O-N 3.29Å; H125-N128 PolarHBondContact O-N 3.24Å; N128-R131 PolarHBondContact O-N 3.46Å; N128-I132 WeakPolarHBondContact ND2-CD1 3.22Å; N128-I132 WeakPolarHBondContact O-CB 3.13Å; N128-I132 VanDerWaalsContact O-CG1 3.26Å; N128-I132 WeakPolarHBondContact O-CG1 3.35Å; N128-I132 PolarHBondContact O-N 3.14Å; N128-A226 PolarHBondContact ND2-O 2.94Å
129	E	94.9	Very high	93.9	Very high	5 Å²	5	45 Å²	45	2%	0.023	21%	0.214	C	C	.	.	H	α-helix	trans	-56.6	-54.9	173.4	173.4	171.9	-156.4	0	0	110	K110 H125 R131 I132 L133 M156 F223	K110-E129 IonicContact NZ-OE1 3.6Å; K110-E129 PolarHBondContact NZ-OE1 3.33Å; K110-E129 IonicContact NZ-OE2 3.49Å; K110-E129 PolarHBondContact NZ-OE2 3.27Å; H125-E129 VanDerWaalsContact O-CB 3.26Å; H125-E129 WeakPolarHBondContact O-CB 3.47Å; H125-E129 PolarHBondContact O-N 2.84Å; E129-R131 VanDerWaalsContact C-N 3.3Å; E129-R131 PolarHBondContact O-N 3.14Å; E129-I132 PolarHBondContact O-N 3.27Å; E129-L133 HydrophobicContact CG-CD1 3.56Å; E129-L133 HydrophobicContact CG-CG 4.29Å; E129-L133 WeakPolarHBondContact O-CB 3.36Å; E129-L133 WeakPolarHBondContact O-CG 3.39Å; E129-L133 PolarHBondContact O-N 2.79Å; E129-M156 HydrophobicContact CG-CE 4.24Å; E129-M156 HydrophobicContact CG-SD 4.22Å; E129-F223 HydrophobicContact CG-CB 4.05Å; E129-F223 PolarHBondContact OE1-N 3.48Å
130	K	95.8	Very high	94.2	Very high	3 Å²	3	36.6 Å²	36.6	1%	0.013	18%	0.177	C	C	.	.	H	α-helix	trans	-57.5	-42.1	177.2	-174.8	-94.4	170.1	168.5	0	112.1	A72 T126 L133 Q134 M144 S147 M156 F404	A72-K130 PolarHBondContact O-NZ 3.47Å; T126-K130 WeakPolarHBondContact O-CB 3.37Å; T126-K130 PolarHBondContact O-N 2.99Å; T126-K130 VanDerWaalsContact O-N 3.14Å; K130-L133 PolarHBondContact O-N 3.38Å; K130-Q134 WeakPolarHBondContact O-CG 3.38Å; K130-Q134 PolarHBondContact O-N 3.23Å; K130-Q134 VanDerWaalsContact O-N 3.16Å; K130-M144 HydrophobicContact CG-CE 4.17Å; K130-S147 WeakPolarHBondContact CE-OG 3.49Å; K130-M156 HydrophobicContact CB-SD 3.82Å; K130-M156 HydrophobicContact CG-CG 4.42Å; K130-M156 HydrophobicContact CG-SD 4.29Å; K130-F404 HydrophobicContact CB-CD2 4.17Å; K130-F404 HydrophobicContact CB-CE2 3.75Å; K130-F404 HydrophobicContact CB-CZ 4.31Å; K130-F404 HydrophobicContact CD-CD2 4.44Å; K130-F404 WeakPolarHBondContact CE-OXT 3.28Å; K130-F404 HydrophobicContact CG-CD2 4.08Å; K130-F404 HydrophobicContact CG-CE1 4.38Å; K130-F404 HydrophobicContact CG-CE2 3.76Å; K130-F404 HydrophobicContact CG-CZ 3.92Å; K130-F404 PolarHBondContact NZ-OXT 2.83Å
131	R	95.8	Very high	94.6	Very high	60 Å²	60	32.8 Å²	32.8	23%	0.226	16%	0.157	C	C	.	.	H	α-helix	trans	-70.2	-29.2	-179.5	-164.7	175.6	-173.1	140	3.4	113.5	W68 L127 N128 E129 A135 E403	W68-R131 HydrophobicContact CD2-CG 4.34Å; W68-R131 HydrophobicContact CE3-CG 3.96Å; W68-R131 HydrophobicContact CH2-CB 4.43Å; W68-R131 HydrophobicContact CH2-CG 4.03Å; W68-R131 HydrophobicContact CZ2-CG 4.39Å; W68-R131 HydrophobicContact CZ3-CB 4.19Å; W68-R131 HydrophobicContact CZ3-CG 3.79Å; W68-R131 PolarHBondContact O-NE 3.3Å; W68-R131 PolarHBondContact O-NH2 3.36Å; L127-R131 VanDerWaalsContact O-CB 3.24Å; L127-R131 WeakPolarHBondContact O-CB 3.45Å; L127-R131 PolarHBondContact O-N 3.04Å; N128-R131 PolarHBondContact O-N 3.46Å; E129-R131 VanDerWaalsContact C-N 3.3Å; E129-R131 PolarHBondContact O-N 3.14Å; R131-A135 WeakPolarHBondContact O-CB 3.1Å; R131-E403 IonicContact NH1-OE1 2.81Å; R131-E403 IonicContact NH1-OE2 2.85Å; R131-E403 PolarHBondContact NH1-OE2 2.85Å
132	I	97.1	Very high	95	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-75.7	-51.3	171.5	-67.1	168.3	0	0	0	110	W68 N128 E129 Q134 A135 I136 L200 F223 A226	W68-I132 HydrophobicContact CH2-CG1 4.24Å; W68-I132 HydrophobicContact CZ3-CG1 3.69Å; N128-I132 WeakPolarHBondContact ND2-CD1 3.22Å; N128-I132 WeakPolarHBondContact O-CB 3.13Å; N128-I132 VanDerWaalsContact O-CG1 3.26Å; N128-I132 WeakPolarHBondContact O-CG1 3.35Å; N128-I132 PolarHBondContact O-N 3.14Å; E129-I132 PolarHBondContact O-N 3.27Å; I132-Q134 VanDerWaalsContact C-N 3.33Å; I132-Q134 PolarHBondContact O-N 2.88Å; I132-A135 PolarHBondContact O-N 3.22Å; I132-I136 HydrophobicContact CG2-CD1 4.33Å; I132-I136 HydrophobicContact CG2-CG2 3.96Å; I132-I136 PolarHBondContact O-N 2.88Å; I132-L200 HydrophobicContact CD1-CD2 3.96Å; I132-L200 HydrophobicContact CG1-CD2 3.91Å; I132-L200 HydrophobicContact CG2-CD1 3.96Å; I132-L200 HydrophobicContact CG2-CD2 4.35Å; I132-F223 HydrophobicContact CG2-CD1 3.68Å; I132-F223 HydrophobicContact CG2-CE1 4.17Å; I132-A226 HydrophobicContact CD1-CB 3.71Å; I132-A226 WeakPolarHBondContact CD1-O 3.49Å
133	L	97.2	Very high	95.2	Very high	3 Å²	3	24.2 Å²	24.2	2%	0.016	12%	0.122	C	C	.	.	H	α-helix	trans	-60.2	-34.7	-174.3	-75.9	171.1	0	0	0	114.4	E129 K130 A135 I136 V142 M144 M156 L158 F223	E129-L133 HydrophobicContact CG-CD1 3.56Å; E129-L133 HydrophobicContact CG-CG 4.29Å; E129-L133 WeakPolarHBondContact O-CB 3.36Å; E129-L133 WeakPolarHBondContact O-CG 3.39Å; E129-L133 PolarHBondContact O-N 2.79Å; K130-L133 PolarHBondContact O-N 3.38Å; L133-A135 VanDerWaalsContact C-N 3.29Å; L133-I136 HydrophobicContact CD2-CD1 4.28Å; L133-V142 HydrophobicContact CD2-CG1 4.16Å; L133-M144 HydrophobicContact CB-CB 3.98Å; L133-M144 HydrophobicContact CB-CE 4.24Å; L133-M144 HydrophobicContact CB-SD 4.08Å; L133-M144 HydrophobicContact CD1-SD 4.48Å; L133-M156 HydrophobicContact CD1-SD 3.99Å; L133-L158 HydrophobicContact CD1-CD2 4.25Å; L133-L158 HydrophobicContact CD2-CD2 4.39Å; L133-F223 HydrophobicContact CD1-CB 4.46Å; L133-F223 HydrophobicContact CD2-CB 4.02Å; L133-F223 HydrophobicContact CD2-CD2 3.62Å; L133-F223 HydrophobicContact CD2-CE2 4.25Å; L133-F223 HydrophobicContact CD2-CG 3.84Å; L133-F223 HydrophobicContact CG-CB 4.03Å; L133-F223 HydrophobicContact CG-CG 4.32Å
134	Q	96.3	Very high	95.5	Very high	23 Å²	23	23.9 Å²	23.9	11%	0.107	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-19.9	174.8	73.2	-170.2	6	0	0	113.5	R67 A72 K130 I132 M144	R67-Q134 WeakPolarHBondContact CD-O 3.17Å; A72-Q134 PolarHBondContact O-OE1 3.31Å; K130-Q134 WeakPolarHBondContact O-CG 3.38Å; K130-Q134 PolarHBondContact O-N 3.23Å; K130-Q134 VanDerWaalsContact O-N 3.16Å; I132-Q134 VanDerWaalsContact C-N 3.33Å; I132-Q134 PolarHBondContact O-N 2.88Å; Q134-M144 HydrophobicContact CB-CE 3.61Å
135	A	97.1	Very high	95.8	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.008	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.4	-28.7	-168.9	0	0	0	0	0	113	F64 R67 W68 R131 I132 L133	F64-A135 HydrophobicContact CD2-CB 3.58Å; F64-A135 WeakPolarHBondContact CD2-O 2.97Å; F64-A135 HydrophobicContact CE2-CB 3.59Å; R67-A135 HydrophobicContact CB-CB 3.91Å; W68-A135 HydrophobicContact CB-CB 4.32Å; W68-A135 HydrophobicContact CE3-CB 4.34Å; R131-A135 WeakPolarHBondContact O-CB 3.1Å; I132-A135 PolarHBondContact O-N 3.22Å; L133-A135 VanDerWaalsContact C-N 3.29Å
136	I	97.9	Very high	96.2	Very high	3 Å²	3	21.3 Å²	21.3	2%	0.015	11%	0.111	C	C	.	.			trans	-75.6	157.2	172.7	63.9	-179.2	0	0	0	112	F64 I132 L133 L141 Y194 L195 L198 L200 F223	F64-I136 HydrophobicContact CD2-CG2 4.23Å; F64-I136 HydrophobicContact CE2-CG2 4.16Å; I132-I136 HydrophobicContact CG2-CD1 4.33Å; I132-I136 HydrophobicContact CG2-CG2 3.96Å; I132-I136 PolarHBondContact O-N 2.88Å; L133-I136 HydrophobicContact CD2-CD1 4.28Å; I136-L141 HydrophobicContact CB-CD1 4.49Å; I136-L141 HydrophobicContact CD1-CB 4.42Å; I136-L141 HydrophobicContact CD1-CD1 4.02Å; I136-Y194 WeakPolarHBondContact CA-OH 3.47Å; I136-Y194 HydrophobicContact CB-CE1 4.11Å; I136-Y194 HydrophobicContact CG2-CE1 4.18Å; I136-L195 HydrophobicContact CG2-CD2 4.05Å; I136-L198 HydrophobicContact CG2-CD1 4.23Å; I136-L200 HydrophobicContact CG2-CD1 3.68Å; I136-F223 HydrophobicContact CD1-CD1 4.18Å; I136-F223 HydrophobicContact CD1-CE1 3.61Å; I136-F223 HydrophobicContact CD1-CE2 4.19Å; I136-F223 HydrophobicContact CD1-CZ 3.61Å
137	D	96.2	Very high	96.4	Very high	68 Å²	68	21.4 Å²	21.4	36%	0.364	11%	0.111	S	C	.	.			trans	-161.2	104.9	178.1	-150.7	-32.6	0	0	0	108.3	R67 Y194	R67-D137 IonicContact CZ-OD2 2.83Å; R67-D137 VanDerWaalsContact CZ-OD2 3.25Å; R67-D137 IonicContact NH1-OD2 2.89Å; R67-D137 PolarHBondContact NH1-OD2 2.82Å; R67-D137 IonicContact NH2-OD2 2.7Å; R67-D137 PolarHBondContact NH2-OD2 3.31Å; D137-Y194 PolarHBondContact N-OH 3.3Å; D137-Y194 WeakPolarHBondContact O-CE2 3.38Å; D137-Y194 VanDerWaalsContact O-CZ 3.28Å; D137-Y194 PolarHBondContact O-OH 3.3Å; D137-Y194 VanDerWaalsContact O-OH 3.11Å
138	F	97.3	Very high	96.6	Very high	4 Å²	4	19.7 Å²	19.7	2%	0.018	10%	0.102	C	C	.	.			trans	-158.6	141.8	-176.9	-164.8	-110.4	0	0	0	112.5	F53 F56 F140 L141 L190 A191 Y194 Y344	F53-F138 AromaticContact CE2-CE2 3.9Å; F53-F138 HydrophobicContact CE2-CE2 3.9Å; F53-F138 HydrophobicContact CE2-CZ 4.04Å; F53-F138 AromaticContact CZ-CE2 3.9Å; F53-F138 HydrophobicContact CZ-CE2 3.9Å; F53-F138 AromaticContact CZ-CZ 3.87Å; F53-F138 HydrophobicContact CZ-CZ 3.87Å; F56-F138 AromaticContact CE1-CD2 3.7Å; F56-F138 HydrophobicContact CE1-CD2 3.7Å; F56-F138 AromaticContact CE1-CE2 3.59Å; F56-F138 HydrophobicContact CE1-CE2 3.59Å; F56-F138 AromaticContact CZ-CD2 3.83Å; F56-F138 HydrophobicContact CZ-CD2 3.83Å; F56-F138 HydrophobicContact CZ-CE2 4.13Å; F138-F140 HydrophobicContact CD1-CB 4.42Å; F138-F140 HydrophobicContact CD1-CD2 4.35Å; F138-F140 HydrophobicContact CE1-CB 4.5Å; F138-F140 AromaticContact CE1-CD2 3.66Å; F138-F140 HydrophobicContact CE1-CD2 3.66Å; F138-F140 HydrophobicContact CE1-CE2 4.21Å; F138-F140 HydrophobicContact CE1-CG 4.38Å; F138-F140 HydrophobicContact CZ-CD2 4.45Å; F138-F140 PolarHBondContact O-N 2.98Å; F138-L141 HydrophobicContact CB-CB 4.36Å; F138-L141 HydrophobicContact CB-CD1 3.83Å; F138-L141 HydrophobicContact CB-CG 3.91Å; F138-L141 HydrophobicContact CD1-CG 4.2Å; F138-L141 PolarHBondContact O-N 2.68Å; F138-L190 HydrophobicContact CE1-CB 4.22Å; F138-L190 HydrophobicContact CZ-CB 4.03Å; F138-A191 HydrophobicContact CD1-CB 4.28Å; F138-A191 HydrophobicContact CE1-CB 4.16Å; F138-Y194 HydrophobicContact CB-CD1 3.95Å; F138-Y194 HydrophobicContact CB-CD2 4.19Å; F138-Y194 HydrophobicContact CB-CE1 3.95Å; F138-Y194 HydrophobicContact CB-CE2 4.12Å; F138-Y194 HydrophobicContact CB-CG 4.1Å; F138-Y194 HydrophobicContact CD1-CG 4.4Å; F138-Y194 HydrophobicContact CD2-CD1 4.34Å; F138-Y194 AromaticContact CD2-CD2 3.38Å; F138-Y194 HydrophobicContact CD2-CD2 3.38Å; F138-Y194 AromaticContact CD2-CE2 3.91Å; F138-Y194 HydrophobicContact CD2-CE2 3.91Å; F138-Y194 AromaticContact CD2-CG 3.63Å; F138-Y194 HydrophobicContact CD2-CG 3.63Å; F138-Y194 AromaticContact CE2-CD2 3.98Å; F138-Y194 HydrophobicContact CE2-CD2 3.98Å; F138-Y194 HydrophobicContact CE2-CG 4.16Å; F138-Y194 HydrophobicContact CG-CD1 4.07Å; F138-Y194 AromaticContact CG-CD2 3.94Å; F138-Y194 HydrophobicContact CG-CD2 3.94Å; F138-Y194 HydrophobicContact CG-CE2 4.34Å; F138-Y194 AromaticContact CG-CG 3.78Å; F138-Y194 HydrophobicContact CG-CG 3.78Å; F138-Y344 HydrophobicContact CD2-CE2 4.36Å; F138-Y344 AromaticContact CE2-CD2 3.95Å; F138-Y344 HydrophobicContact CE2-CD2 3.95Å; F138-Y344 AromaticContact CE2-CE2 3.67Å; F138-Y344 HydrophobicContact CE2-CE2 3.67Å; F138-Y344 AromaticContact CZ-CD2 4Å; F138-Y344 HydrophobicContact CZ-CD2 4Å; F138-Y344 HydrophobicContact CZ-CE2 4.19Å
139	P	96.1	Very high	96.8	Very high	38 Å²	38	21 Å²	21	25%	0.247	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-22.8	-170.5	-29.3	37.2	0	0	0	116.9	K219 Y344	P139-K219 WeakPolarHBondContact O-CE 3.47Å; P139-Y344 HydrophobicContact CG-CD2 4.07Å; P139-Y344 HydrophobicContact CG-CE2 3.65Å
140	F	97.9	Very high	96.7	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.7	9.6	-178.8	-43.2	-44.8	0	0	0	114.2	F138 Q187 L190 Y217 L218 K219 I220 I343 K346	F138-F140 HydrophobicContact CD1-CB 4.42Å; F138-F140 HydrophobicContact CD1-CD2 4.35Å; F138-F140 HydrophobicContact CE1-CB 4.5Å; F138-F140 AromaticContact CE1-CD2 3.66Å; F138-F140 HydrophobicContact CE1-CD2 3.66Å; F138-F140 HydrophobicContact CE1-CE2 4.21Å; F138-F140 HydrophobicContact CE1-CG 4.38Å; F138-F140 HydrophobicContact CZ-CD2 4.45Å; F138-F140 PolarHBondContact O-N 2.98Å; F140-Q187 HydrophobicContact CB-CB 4.49Å; F140-Q187 HydrophobicContact CD1-CB 4.38Å; F140-Q187 HydrophobicContact CD1-CG 4.17Å; F140-Q187 HydrophobicContact CD2-CB 3.72Å; F140-Q187 HydrophobicContact CD2-CG 4.05Å; F140-Q187 WeakPolarHBondContact CD2-O 3.26Å; F140-Q187 HydrophobicContact CE1-CG 4.06Å; F140-Q187 HydrophobicContact CE2-CB 4.04Å; F140-Q187 HydrophobicContact CE2-CG 3.92Å; F140-Q187 HydrophobicContact CG-CB 3.93Å; F140-Q187 HydrophobicContact CG-CG 4.2Å; F140-Q187 HydrophobicContact CZ-CG 3.93Å; F140-L190 HydrophobicContact CD2-CB 4.42Å; F140-L190 HydrophobicContact CE2-CB 4.17Å; F140-L190 HydrophobicContact CE2-CD1 3.92Å; F140-Y217 HydrophobicContact CD1-CD1 4.08Å; F140-Y217 AromaticContact CE1-CD1 3.48Å; F140-Y217 HydrophobicContact CE1-CD1 3.48Å; F140-Y217 VanDerWaalsContact CE1-CD1 3.48Å; F140-Y217 AromaticContact CE1-CE1 3.79Å; F140-Y217 HydrophobicContact CE1-CE1 3.79Å; F140-Y217 HydrophobicContact CZ-CD1 4.28Å; F140-Y217 HydrophobicContact CZ-CE1 4.19Å; F140-L218 VanDerWaalsContact CA-O 3.29Å; F140-L218 WeakPolarHBondContact CA-O 3.46Å; F140-K219 CarbonylContact O-C 3.48Å; F140-K219 WeakPolarHBondContact O-CA 3.33Å; F140-I220 PolarHBondContact O-N 2.82Å; F140-I343 HydrophobicContact CE2-CG2 4.2Å; F140-I343 HydrophobicContact CZ-CG2 4Å; F140-I343 WeakPolarHBondContact CZ-O 3.44Å; F140-K346 HydrophobicContact CE1-CG 4.17Å
141	L	98.3	Very high	96.5	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.13	C	C	.	.	B	Isolated β-bridge	trans	-107.6	150.6	172.6	-56.2	-177.1	0	0	0	109.3	I136 F138 A191 Y194 L195 K219 I220 F223	I136-L141 HydrophobicContact CB-CD1 4.49Å; I136-L141 HydrophobicContact CD1-CB 4.42Å; I136-L141 HydrophobicContact CD1-CD1 4.02Å; F138-L141 HydrophobicContact CB-CB 4.36Å; F138-L141 HydrophobicContact CB-CD1 3.83Å; F138-L141 HydrophobicContact CB-CG 3.91Å; F138-L141 HydrophobicContact CD1-CG 4.2Å; F138-L141 PolarHBondContact O-N 2.68Å; L141-A191 HydrophobicContact CD2-CB 3.91Å; L141-Y194 HydrophobicContact CD1-CD1 3.81Å; L141-Y194 HydrophobicContact CD1-CE1 3.84Å; L141-L195 HydrophobicContact CD1-CD1 4.42Å; L141-L195 HydrophobicContact CD1-CD2 3.86Å; L141-L195 HydrophobicContact CD1-CG 4.09Å; L141-L195 HydrophobicContact CD2-CD1 4.46Å; L141-K219 WeakPolarHBondContact O-CD 3.44Å; L141-K219 WeakPolarHBondContact O-CE 3.38Å; L141-K219 PolarHBondContact O-NZ 3.07Å; L141-I220 HydrophobicContact CD2-CB 3.79Å; L141-I220 HydrophobicContact CD2-CD1 3.77Å; L141-I220 HydrophobicContact CD2-CG1 3.95Å; L141-F223 HydrophobicContact CD1-CZ 4.26Å; L141-F223 HydrophobicContact CD2-CZ 4.04Å; L141-F223 HydrophobicContact CG-CZ 4.49Å
142	V	97.1	Very high	96.3	Very high	3 Å²	3	23.2 Å²	23.2	2%	0.018	12%	0.124	C	C	.	.	P	Polyproline II helix	trans	-71.6	125.4	172.3	72.7	0	0	0	0	110.2	L133 L158 E159 I220	L133-V142 HydrophobicContact CD2-CG1 4.16Å; V142-L158 HydrophobicContact CG1-CD2 4.08Å; V142-L158 HydrophobicContact CG2-CB 4.04Å; V142-L158 HydrophobicContact CG2-CD2 4.12Å; V142-E159 WeakPolarHBondContact CA-OE1 3.22Å; V142-E159 HydrophobicContact CG2-CG 3.75Å; V142-I220 WeakPolarHBondContact CB-O 3.44Å; V142-I220 WeakPolarHBondContact CG1-O 3.37Å; V142-I220 PolarHBondContact N-O 3.2Å
143	N	95.6	Very high	96.2	Very high	47 Å²	47	24 Å²	24	25%	0.251	13%	0.129	S	C	.	.	P	Polyproline II helix	trans	-89.4	130.6	178.6	-72.4	-5	0	0	0	110	E159	N143-E159 WeakPolarHBondContact CB-OE1 3.45Å; N143-E159 PolarHBondContact N-OE1 2.98Å; N143-E159 PolarHBondContact O-N 3.24Å
144	M	97.2	Very high	96.1	Very high	23 Å²	23	23.9 Å²	23.9	11%	0.113	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	120.8	170.1	-171.8	178.6	72.7	0	0	109.6	K130 L133 Q134 M156 L158	K130-M144 HydrophobicContact CG-CE 4.17Å; L133-M144 HydrophobicContact CB-CB 3.98Å; L133-M144 HydrophobicContact CB-CE 4.24Å; L133-M144 HydrophobicContact CB-SD 4.08Å; L133-M144 HydrophobicContact CD1-SD 4.48Å; Q134-M144 HydrophobicContact CB-CE 3.61Å; M144-M156 HydrophobicContact CG-CB 4.47Å; M144-M156 HydrophobicContact SD-CB 3.7Å; M144-M156 HydrophobicContact SD-CG 3.7Å; M144-M156 HydrophobicContact SD-SD 4.13Å; M144-L158 HydrophobicContact CB-CD2 3.86Å; M144-L158 HydrophobicContact CG-CD2 4.25Å
145	T	96.4	Very high	96.1	Very high	64 Å²	64	22.9 Å²	22.9	39%	0.393	12%	0.123	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	-38.6	-178.9	-47.4	0	0	0	0	112.1	Y107 V157	Y107-T145 HydrophobicContact CE1-CG2 4.11Å; Y107-T145 WeakPolarHBondContact CE1-OG1 3.36Å; T145-V157 PolarHBondContact N-O 3.04Å
146	F	97.5	Very high	96.1	Very high	36 Å²	36	22.9 Å²	22.9	16%	0.158	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	153.1	-179.5	-44.9	-85.5	0	0	0	112.5	T75 A76 F81 Y107 V157	T75-F146 WeakPolarHBondContact OG1-CA 3.38Å; A76-F146 HydrophobicContact CB-CB 3.97Å; A76-F146 HydrophobicContact CB-CD1 3.93Å; A76-F146 HydrophobicContact CB-CG 4.04Å; F81-F146 HydrophobicContact CE1-CD2 4.23Å; F81-F146 HydrophobicContact CE1-CE2 4.31Å; F81-F146 AromaticContact CZ-CD2 3.78Å; F81-F146 HydrophobicContact CZ-CD2 3.78Å; F81-F146 HydrophobicContact CZ-CE2 4.13Å; F81-F146 HydrophobicContact CZ-CG 4.27Å; Y107-F146 HydrophobicContact CE1-CE2 4.37Å; Y107-F146 HydrophobicContact CE2-CE2 4.15Å; Y107-F146 AromaticContact CZ-CE2 3.98Å; F146-V157 HydrophobicContact CB-CB 3.92Å; F146-V157 HydrophobicContact CB-CG2 4.04Å; F146-V157 HydrophobicContact CD2-CB 4.02Å; F146-V157 HydrophobicContact CD2-CG1 3.9Å; F146-V157 HydrophobicContact CG-CB 4.49Å; F146-V157 PolarHBondContact N-O 3.47Å; F146-V157 PolarHBondContact O-N 3.14Å
147	S	97.4	Very high	96.1	Very high	3 Å²	3	22.7 Å²	22.7	2%	0.021	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	134.1	171.7	59.1	0	0	0	0	111.6	N74 T75 K130 Y155	N74-S147 WeakPolarHBondContact CA-O 3.2Å; N74-S147 PolarHBondContact N-O 3.27Å; T75-S147 PolarHBondContact N-O 3.12Å; T75-S147 PolarHBondContact OG1-N 3.36Å; K130-S147 WeakPolarHBondContact CE-OG 3.49Å; S147-Y155 VanDerWaalsContact CA-O 3.26Å; S147-Y155 WeakPolarHBondContact CA-O 3.32Å
148	F	97.4	Very high	96.2	Very high	5 Å²	5	20 Å²	20	2%	0.022	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	174.9	-176.9	61	-91.6	0	0	0	112.1	A76 L78 F81 M109 Y155 V157 F404	A76-F148 HydrophobicContact CB-CD1 3.99Å; A76-F148 HydrophobicContact CB-CE1 4.17Å; A76-F148 WeakPolarHBondContact O-CB 3.37Å; A76-F148 WeakPolarHBondContact O-CD1 3.49Å; A76-F148 VanDerWaalsContact O-CG 3.23Å; A76-F148 WeakPolarHBondContact O-CG 3.37Å; L78-F148 HydrophobicContact CB-CE2 4Å; L78-F148 HydrophobicContact CB-CZ 4.41Å; L78-F148 VanDerWaalsContact N-CE2 3.32Å; F81-F148 HydrophobicContact CD2-CE1 4.44Å; F81-F148 HydrophobicContact CD2-CZ 4.44Å; F81-F148 AromaticContact CE2-CE1 3.84Å; F81-F148 HydrophobicContact CE2-CE1 3.84Å; F81-F148 HydrophobicContact CE2-CZ 4.27Å; M109-F148 HydrophobicContact CE-CE1 4.25Å; M109-F148 HydrophobicContact CE-CZ 3.84Å; F148-Y155 AromaticContact CD2-CD2 3.46Å; F148-Y155 HydrophobicContact CD2-CD2 3.46Å; F148-Y155 VanDerWaalsContact CD2-CD2 3.46Å; F148-Y155 HydrophobicContact CD2-CE2 4.24Å; F148-Y155 AromaticContact CD2-CG 3.78Å; F148-Y155 HydrophobicContact CD2-CG 3.78Å; F148-Y155 HydrophobicContact CE1-CG 4.36Å; F148-Y155 AromaticContact CE2-CD1 3.88Å; F148-Y155 HydrophobicContact CE2-CD1 3.88Å; F148-Y155 AromaticContact CE2-CD2 3.25Å; F148-Y155 HydrophobicContact CE2-CD2 3.25Å; F148-Y155 HydrophobicContact CE2-CE1 4.39Å; F148-Y155 AromaticContact CE2-CE2 3.84Å; F148-Y155 HydrophobicContact CE2-CE2 3.84Å; F148-Y155 AromaticContact CE2-CG 3.28Å; F148-Y155 HydrophobicContact CE2-CG 3.28Å; F148-Y155 HydrophobicContact CG-CD2 4.42Å; F148-Y155 HydrophobicContact CG-CG 4.49Å; F148-Y155 AromaticContact CZ-CD1 3.96Å; F148-Y155 HydrophobicContact CZ-CD1 3.96Å; F148-Y155 HydrophobicContact CZ-CD2 4.09Å; F148-Y155 AromaticContact CZ-CG 3.62Å; F148-Y155 HydrophobicContact CZ-CG 3.62Å; F148-Y155 PolarHBondContact N-O 2.69Å; F148-Y155 VanDerWaalsContact N-O 3.11Å; F148-Y155 WeakPolarHBondContact O-CB 3.43Å; F148-Y155 PolarHBondContact O-N 3.31Å; F148-V157 HydrophobicContact CE1-CG2 3.9Å; F148-F404 VanDerWaalsContact O-CE1 3.26Å; F148-F404 WeakPolarHBondContact O-CE1 3.49Å
149	K	95.6	Very high	96.1	Very high	53 Å²	53	22.1 Å²	22.1	23%	0.23	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	151.1	179.8	64.3	-149.1	170.9	-158.8	0	111.6	N153 L154 F401 V402 F404	K149-N153 WeakPolarHBondContact CA-O 3.25Å; K149-L154 HydrophobicContact CB-CD2 3.87Å; K149-F401 WeakPolarHBondContact CD-O 3.46Å; K149-F401 PolarHBondContact NZ-O 2.97Å; K149-V402 PolarHBondContact NZ-O 2.88Å; K149-F404 HydrophobicContact CB-CD1 4.42Å; K149-F404 HydrophobicContact CD-CB 4.14Å; K149-F404 WeakPolarHBondContact CD-O 3.46Å; K149-F404 WeakPolarHBondContact CE-O 3.44Å; K149-F404 PolarHBondContact NZ-O 3.13Å
150	D	93.8	Very high	96	Very high	27 Å²	27	21.5 Å²	21.5	14%	0.144	11%	0.111	C	C	.	.			trans	-114.9	-167.5	165.5	71.9	21.8	0	0	0	109.7	K114 S152 N153 Y155 I391	K114-D150 WeakPolarHBondContact CE-O 3.48Å; K114-D150 PolarHBondContact NZ-O 3.18Å; D150-S152 PolarHBondContact O-N 3.05Å; D150-S152 WeakPolarHBondContact OD1-CA 3.48Å; D150-S152 PolarHBondContact OD1-N 3.4Å; D150-N153 PolarHBondContact N-O 2.89Å; D150-N153 PolarHBondContact OD1-N 3.35Å; D150-N153 PolarHBondContact OD1-ND2 3.45Å; D150-N153 PolarHBondContact OD2-ND2 2.89Å; D150-Y155 HydrophobicContact CB-CE2 4.38Å; D150-Y155 PolarHBondContact OD2-OH 3Å; D150-I391 HydrophobicContact CB-CG2 4.46Å
151	N	90.9	Very high	95.8	Very high	70 Å²	70	22 Å²	22	37%	0.374	11%	0.114	S	C	.	.	S	Bend	trans	-70.6	-11.3	-176.3	-39.3	-23.4	0	0	0	113.8	I391 A393	N151-I391 HydrophobicContact CB-CG2 3.75Å; N151-A393 HydrophobicContact CB-CB 4.24Å
152	S	91.2	Very high	95.3	Very high	16 Å²	16	22.5 Å²	22.5	11%	0.112	12%	0.117	C	C	.	.	S	Bend	trans	-126.7	-28	-172.2	-52.5	0	0	0	0	114.2	K114 D150 I391 A392	K114-S152 VanDerWaalsContact CB-O 3.28Å; K114-S152 WeakPolarHBondContact CB-O 3.31Å; K114-S152 WeakPolarHBondContact CG-O 3.16Å; K114-S152 PolarHBondContact N-O 3.48Å; D150-S152 PolarHBondContact O-N 3.05Å; D150-S152 WeakPolarHBondContact OD1-CA 3.48Å; D150-S152 PolarHBondContact OD1-N 3.4Å; S152-I391 WeakPolarHBondContact OG-CA 3.4Å; S152-A392 PolarHBondContact OG-N 3.24Å; S152-A392 PolarHBondContact OG-O 3.35Å
153	N	94.8	Very high	94.8	Very high	17 Å²	17	22.4 Å²	22.4	9%	0.091	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	163.6	-168	-56.8	-67.4	0	0	0	113.1	I111 L112 K114 K149 D150 Y155	I111-N153 HydrophobicContact CG2-CB 4.19Å; L112-N153 CarbonylContact O-C 3.49Å; L112-N153 VanDerWaalsContact O-CA 3.25Å; L112-N153 WeakPolarHBondContact O-CA 3.36Å; K114-N153 WeakPolarHBondContact CE-O 3.46Å; K149-N153 WeakPolarHBondContact CA-O 3.25Å; D150-N153 PolarHBondContact N-O 2.89Å; D150-N153 PolarHBondContact OD1-N 3.35Å; D150-N153 PolarHBondContact OD1-ND2 3.45Å; D150-N153 PolarHBondContact OD2-ND2 2.89Å; N153-Y155 HydrophobicContact CB-CD2 4.32Å; N153-Y155 HydrophobicContact CB-CE1 4.48Å; N153-Y155 HydrophobicContact CB-CE2 3.51Å; N153-Y155 WeakPolarHBondContact CB-OH 3.25Å; N153-Y155 PolarHBondContact ND2-OH 3.33Å
154	L	95.8	Very high	94.5	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	139.9	169.5	-52.4	171.8	0	0	0	108.5	L112 K114 T126 K149 F401 F404	L112-L154 HydrophobicContact CB-CB 4.32Å; L112-L154 PolarHBondContact N-O 2.87Å; L112-L154 PolarHBondContact O-N 3.5Å; K114-L154 HydrophobicContact CD-CD2 4.38Å; K114-L154 VanDerWaalsContact CE-CD2 3.48Å; K114-L154 HydrophobicContact CG-CD2 4.01Å; K114-L154 HydrophobicContact CG-CG 3.91Å; T126-L154 HydrophobicContact CG2-CD1 3.71Å; K149-L154 HydrophobicContact CB-CD2 3.87Å; L154-F401 HydrophobicContact CD1-CD1 3.68Å; L154-F401 HydrophobicContact CD1-CE1 3.6Å; L154-F401 HydrophobicContact CD1-CG 4.19Å; L154-F401 HydrophobicContact CD1-CZ 4.06Å; L154-F401 HydrophobicContact CD2-CB 3.95Å; L154-F401 HydrophobicContact CD2-CD1 4.11Å; L154-F401 HydrophobicContact CD2-CD2 4.32Å; L154-F401 HydrophobicContact CD2-CG 3.87Å; L154-F404 HydrophobicContact CB-CD1 4.43Å; L154-F404 HydrophobicContact CB-CD2 4.39Å; L154-F404 HydrophobicContact CB-CE1 3.97Å; L154-F404 HydrophobicContact CB-CE2 3.92Å; L154-F404 HydrophobicContact CB-CZ 3.69Å; L154-F404 HydrophobicContact CD1-CD2 4.13Å; L154-F404 HydrophobicContact CD1-CE2 4.13Å; L154-F404 HydrophobicContact CD2-CB 4.36Å; L154-F404 HydrophobicContact CD2-CD1 4.08Å; L154-F404 HydrophobicContact CD2-CD2 4.15Å; L154-F404 HydrophobicContact CD2-CE1 4.46Å; L154-F404 HydrophobicContact CD2-CG 3.93Å; L154-F404 HydrophobicContact CG-CD2 4.46Å; L154-F404 HydrophobicContact CG-CE2 4.42Å
155	Y	97.2	Very high	94.2	Very high	3 Å²	3	22.6 Å²	22.6	1%	0.012	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	125.7	-173.2	-61.4	-91	0	0	0	111.1	L78 M109 I111 S147 F148 D150 N153 F404	L78-Y155 HydrophobicContact CD1-CD1 4.31Å; L78-Y155 HydrophobicContact CD1-CE1 3.69Å; M109-Y155 HydrophobicContact CG-CD1 4.02Å; M109-Y155 HydrophobicContact SD-CD1 3.6Å; M109-Y155 HydrophobicContact SD-CE1 4.04Å; I111-Y155 HydrophobicContact CB-CD1 4.37Å; I111-Y155 HydrophobicContact CB-CE1 4.25Å; I111-Y155 HydrophobicContact CD1-CD1 4.46Å; I111-Y155 HydrophobicContact CD1-CE1 4.02Å; I111-Y155 HydrophobicContact CG1-CD1 3.84Å; I111-Y155 HydrophobicContact CG1-CE1 3.81Å; I111-Y155 HydrophobicContact CG2-CD1 4.13Å; I111-Y155 HydrophobicContact CG2-CE1 3.63Å; S147-Y155 VanDerWaalsContact CA-O 3.26Å; S147-Y155 WeakPolarHBondContact CA-O 3.32Å; F148-Y155 AromaticContact CD2-CD2 3.46Å; F148-Y155 HydrophobicContact CD2-CD2 3.46Å; F148-Y155 VanDerWaalsContact CD2-CD2 3.46Å; F148-Y155 HydrophobicContact CD2-CE2 4.24Å; F148-Y155 AromaticContact CD2-CG 3.78Å; F148-Y155 HydrophobicContact CD2-CG 3.78Å; F148-Y155 HydrophobicContact CE1-CG 4.36Å; F148-Y155 AromaticContact CE2-CD1 3.88Å; F148-Y155 HydrophobicContact CE2-CD1 3.88Å; F148-Y155 AromaticContact CE2-CD2 3.25Å; F148-Y155 HydrophobicContact CE2-CD2 3.25Å; F148-Y155 HydrophobicContact CE2-CE1 4.39Å; F148-Y155 AromaticContact CE2-CE2 3.84Å; F148-Y155 HydrophobicContact CE2-CE2 3.84Å; F148-Y155 AromaticContact CE2-CG 3.28Å; F148-Y155 HydrophobicContact CE2-CG 3.28Å; F148-Y155 HydrophobicContact CG-CD2 4.42Å; F148-Y155 HydrophobicContact CG-CG 4.49Å; F148-Y155 AromaticContact CZ-CD1 3.96Å; F148-Y155 HydrophobicContact CZ-CD1 3.96Å; F148-Y155 HydrophobicContact CZ-CD2 4.09Å; F148-Y155 AromaticContact CZ-CG 3.62Å; F148-Y155 HydrophobicContact CZ-CG 3.62Å; F148-Y155 PolarHBondContact N-O 2.69Å; F148-Y155 VanDerWaalsContact N-O 3.11Å; F148-Y155 WeakPolarHBondContact O-CB 3.43Å; F148-Y155 PolarHBondContact O-N 3.31Å; D150-Y155 HydrophobicContact CB-CE2 4.38Å; D150-Y155 PolarHBondContact OD2-OH 3Å; N153-Y155 HydrophobicContact CB-CD2 4.32Å; N153-Y155 HydrophobicContact CB-CE1 4.48Å; N153-Y155 HydrophobicContact CB-CE2 3.51Å; N153-Y155 WeakPolarHBondContact CB-OH 3.25Å; N153-Y155 PolarHBondContact ND2-OH 3.33Å; Y155-F404 WeakPolarHBondContact O-CE1 3.29Å
156	M	97.4	Very high	94.1	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	120.5	167.8	-64.8	-177.8	-79	0	0	108.6	M109 K110 L112 E129 K130 L133 M144 F404	M109-M156 CarbonylContact C-O 3.43Å; M109-M156 WeakPolarHBondContact CA-O 3.32Å; K110-M156 HydrophobicContact CB-CB 4.4Å; K110-M156 HydrophobicContact CD-CE 3.94Å; K110-M156 HydrophobicContact CG-CE 4.21Å; K110-M156 PolarHBondContact N-O 2.72Å; K110-M156 PolarHBondContact O-N 2.97Å; L112-M156 HydrophobicContact CD1-CE 3.77Å; E129-M156 HydrophobicContact CG-CE 4.24Å; E129-M156 HydrophobicContact CG-SD 4.22Å; K130-M156 HydrophobicContact CB-SD 3.82Å; K130-M156 HydrophobicContact CG-CG 4.42Å; K130-M156 HydrophobicContact CG-SD 4.29Å; L133-M156 HydrophobicContact CD1-SD 3.99Å; M144-M156 HydrophobicContact CG-CB 4.47Å; M144-M156 HydrophobicContact SD-CB 3.7Å; M144-M156 HydrophobicContact SD-CG 3.7Å; M144-M156 HydrophobicContact SD-SD 4.13Å; M156-F404 HydrophobicContact CG-CE2 4.45Å; M156-F404 HydrophobicContact CG-CZ 3.76Å; M156-F404 HydrophobicContact SD-CZ 4.47Å
157	V	97.8	Very high	93.9	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	104.8	-176.4	-171.7	0	0	0	0	108.6	F81 Y107 M109 T145 F146 F148	F81-V157 HydrophobicContact CE1-CG1 3.92Å; F81-V157 HydrophobicContact CE2-CG2 4.38Å; F81-V157 HydrophobicContact CZ-CG1 4.14Å; F81-V157 HydrophobicContact CZ-CG2 4.07Å; Y107-V157 VanDerWaalsContact CB-CG1 3.43Å; Y107-V157 HydrophobicContact CD1-CG1 4.04Å; Y107-V157 HydrophobicContact CD2-CG1 4.34Å; Y107-V157 HydrophobicContact CG-CG1 3.7Å; M109-V157 HydrophobicContact CE-CG2 3.93Å; M109-V157 HydrophobicContact CG-CG2 4.28Å; T145-V157 PolarHBondContact N-O 3.04Å; F146-V157 HydrophobicContact CB-CB 3.92Å; F146-V157 HydrophobicContact CB-CG2 4.04Å; F146-V157 HydrophobicContact CD2-CB 4.02Å; F146-V157 HydrophobicContact CD2-CG1 3.9Å; F146-V157 HydrophobicContact CG-CB 4.49Å; F146-V157 PolarHBondContact N-O 3.47Å; F146-V157 PolarHBondContact O-N 3.14Å; F148-V157 HydrophobicContact CE1-CG2 3.9Å
158	L	97.3	Very high	93.5	Very high	10 Å²	10	23 Å²	23	5%	0.052	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	155.1	-174.7	-61.5	158.8	0	0	0	110.3	Y107 A108 K110 L133 V142 M144	Y107-L158 CarbonylContact C-O 3.57Å; Y107-L158 WeakPolarHBondContact CA-O 3.49Å; Y107-L158 VanDerWaalsContact CB-O 3.31Å; Y107-L158 WeakPolarHBondContact CB-O 3.48Å; Y107-L158 WeakPolarHBondContact CD1-O 3.2Å; A108-L158 HydrophobicContact CB-CB 4.32Å; A108-L158 PolarHBondContact N-O 3Å; A108-L158 WeakPolarHBondContact O-CB 3.46Å; A108-L158 PolarHBondContact O-N 3.42Å; K110-L158 HydrophobicContact CB-CD1 4.4Å; L133-L158 HydrophobicContact CD1-CD2 4.25Å; L133-L158 HydrophobicContact CD2-CD2 4.39Å; V142-L158 HydrophobicContact CG1-CD2 4.08Å; V142-L158 HydrophobicContact CG2-CB 4.04Å; V142-L158 HydrophobicContact CG2-CD2 4.12Å; M144-L158 HydrophobicContact CB-CD2 3.86Å; M144-L158 HydrophobicContact CG-CD2 4.25Å
159	E	95.5	Very high	93.1	Very high	49 Å²	49	23.3 Å²	23.3	23%	0.229	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.8	139.8	166.7	66.1	-175.5	125.4	0	0	111.1	V142 N143 I161 K219	V142-E159 WeakPolarHBondContact CA-OE1 3.22Å; V142-E159 HydrophobicContact CG2-CG 3.75Å; N143-E159 WeakPolarHBondContact CB-OE1 3.45Å; N143-E159 PolarHBondContact N-OE1 2.98Å; N143-E159 PolarHBondContact O-N 3.24Å; E159-I161 HydrophobicContact CG-CD1 3.73Å; E159-I161 HydrophobicContact CG-CG1 4.23Å; E159-K219 VanDerWaalsContact CD-NZ 3.29Å; E159-K219 WeakPolarHBondContact OE1-CE 3.37Å; E159-K219 IonicContact OE1-NZ 3.68Å; E159-K219 PolarHBondContact OE1-NZ 3.42Å; E159-K219 WeakPolarHBondContact OE2-CE 3.21Å; E159-K219 IonicContact OE2-NZ 2.68Å; E159-K219 PolarHBondContact OE2-NZ 3.32Å; E159-K219 VanDerWaalsContact OE2-NZ 3.16Å
160	F	95.1	Very high	93	Very high	25 Å²	25	20.8 Å²	20.8	11%	0.11	11%	0.109	C	C	.	.			trans	-85.3	115.7	178.8	177.4	-125	0	0	0	111.2	L87 L97 A108 P373 D375 T376 F379	L87-F160 HydrophobicContact CD1-CD2 3.8Å; L87-F160 HydrophobicContact CD1-CE2 3.59Å; L87-F160 HydrophobicContact CD2-CE2 3.8Å; L87-F160 HydrophobicContact CD2-CZ 4.25Å; L87-F160 HydrophobicContact CG-CE2 4.37Å; L97-F160 HydrophobicContact CD1-CB 4.33Å; L97-F160 HydrophobicContact CD1-CD1 3.63Å; L97-F160 HydrophobicContact CD1-CD2 3.95Å; L97-F160 HydrophobicContact CD1-CE1 3.82Å; L97-F160 HydrophobicContact CD1-CE2 4.16Å; L97-F160 HydrophobicContact CD1-CG 3.69Å; L97-F160 HydrophobicContact CD1-CZ 4.09Å; A108-F160 HydrophobicContact CB-CD2 4.44Å; F160-P373 WeakPolarHBondContact CD1-O 3.28Å; F160-D375 WeakPolarHBondContact CE1-O 3.38Å; F160-D375 VanDerWaalsContact CZ-O 3.28Å; F160-D375 WeakPolarHBondContact CZ-O 3.49Å; F160-T376 HydrophobicContact CZ-CG2 4.27Å; F160-F379 AromaticContact CE2-CE2 3.7Å; F160-F379 HydrophobicContact CE2-CE2 3.7Å; F160-F379 AromaticContact CE2-CZ 3.77Å; F160-F379 HydrophobicContact CE2-CZ 3.77Å; F160-F379 AromaticContact CZ-CE2 3.84Å; F160-F379 HydrophobicContact CZ-CE2 3.84Å; F160-F379 HydrophobicContact CZ-CZ 4.37Å
161	I	93.2	Very high	92.9	Very high	11 Å²	11	24.6 Å²	24.6	6%	0.056	12%	0.121	C	C	.	.			trans	-101.6	96.7	178.7	-53	-53	0	0	0	109.2	E159 G163 L211 I212 D213 K219	E159-I161 HydrophobicContact CG-CD1 3.73Å; E159-I161 HydrophobicContact CG-CG1 4.23Å; I161-G163 PolarHBondContact O-N 3.17Å; I161-L211 HydrophobicContact CB-CB 4.01Å; I161-L211 HydrophobicContact CB-CD1 3.93Å; I161-L211 HydrophobicContact CG1-CD1 4.43Å; I161-L211 HydrophobicContact CG2-CB 3.55Å; I161-L211 HydrophobicContact CG2-CD1 4.43Å; I161-I212 VanDerWaalsContact CG2-O 3.26Å; I161-I212 WeakPolarHBondContact CG2-O 3.43Å; I161-D213 HydrophobicContact CG2-CB 4.15Å; I161-K219 HydrophobicContact CD1-CB 4.26Å; I161-K219 HydrophobicContact CD1-CD 4.28Å; I161-K219 HydrophobicContact CD1-CG 3.71Å; I161-K219 HydrophobicContact CG1-CB 3.9Å; I161-K219 HydrophobicContact CG1-CG 3.93Å; I161-K219 HydrophobicContact CG2-CB 4.32Å
162	S	87.3	Confident	92.8	Very high	11 Å²	11	27.3 Å²	27.3	8%	0.077	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-13.8	-166.2	54.6	0	0	0	0	115.8	G164 H378	S162-G164 VanDerWaalsContact C-N 3.31Å; S162-G164 PolarHBondContact O-N 3.22Å; S162-H378 PolarHBondContact O-CD2 2.66Å; S162-H378 VanDerWaalsContact O-CD2 3.29Å
163	G	87.1	Confident	92.7	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-2.7	-174.9	0	0	0	0	0	116.6	I161 H169 I212 P368	I161-G163 PolarHBondContact O-N 3.17Å; G163-H169 PolarHBondContact O-NE2 2.86Å; G163-I212 CarbonylContact C-O 3.57Å; G163-I212 WeakPolarHBondContact CA-O 2.88Å; G163-I212 PolarHBondContact N-O 3.47Å; G163-P368 VanDerWaalsContact CA-CB 3.5Å; G163-P368 VanDerWaalsContact CA-CG 3.41Å
164	G	88.1	Confident	92.7	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.01	15%	0.151	C	C	.	.			trans	71.2	-172.8	178.6	0	0	0	0	0	114.7	S162 L211 I212	S162-G164 VanDerWaalsContact C-N 3.31Å; S162-G164 PolarHBondContact O-N 3.22Å; G164-L211 WeakPolarHBondContact O-CA 3.4Å; G164-I212 PolarHBondContact O-N 3.33Å
165	E	90.8	Very high	92.6	Very high	74 Å²	74	36.2 Å²	36.2	35%	0.346	17%	0.172	S	C	.	.	B	Isolated β-bridge	trans	-78.2	140.5	-170.7	-57.1	166.5	176.7	0	0	113.6	F167 S168 H169 L211	E165-F167 HydrophobicContact CB-CB 4.22Å; E165-F167 PolarHBondContact O-N 2.98Å; E165-S168 PolarHBondContact O-N 3.02Å; E165-S168 VanDerWaalsContact O-N 3.16Å; E165-H169 PolarHBondContact O-CD2 3.2Å; E165-H169 PolarHBondContact O-N 2.83Å; E165-L211 HydrophobicContact CG-CD2 4.01Å
166	M	94.4	Very high	92.5	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-55	-35.2	166.9	179.8	-172.2	-70.8	0	0	111.3	S168 H169 L170 F176 Y184 P207 L210 L218 L265 M269	M166-S168 PolarHBondContact O-N 2.82Å; M166-H169 PolarHBondContact O-N 2.83Å; M166-L170 WeakPolarHBondContact O-CB 3.44Å; M166-L170 PolarHBondContact O-N 3.39Å; M166-F176 HydrophobicContact CG-CE2 3.9Å; M166-F176 HydrophobicContact CG-CZ 4.13Å; M166-F176 HydrophobicContact SD-CE2 4.19Å; M166-Y184 HydrophobicContact CE-CD1 4.3Å; M166-Y184 HydrophobicContact CE-CD2 3.98Å; M166-Y184 HydrophobicContact CE-CG 3.81Å; M166-P207 HydrophobicContact CB-CB 4.37Å; M166-P207 WeakPolarHBondContact CB-O 3.47Å; M166-P207 HydrophobicContact CG-CB 4.34Å; M166-P207 PolarHBondContact N-O 3.41Å; M166-P207 HydrophobicContact SD-CB 4.5Å; M166-L210 HydrophobicContact CB-CB 3.99Å; M166-L210 WeakPolarHBondContact CB-O 3.32Å; M166-L210 HydrophobicContact CE-CB 4.37Å; M166-L210 HydrophobicContact CE-CD1 3.87Å; M166-L210 PolarHBondContact N-O 2.68Å; M166-L210 HydrophobicContact SD-CD1 3.92Å; M166-L218 HydrophobicContact CE-CD1 3.71Å; M166-L218 HydrophobicContact CE-CD2 3.59Å; M166-L218 HydrophobicContact CE-CG 4.3Å; M166-L265 HydrophobicContact SD-CD1 4.31Å; M166-M269 HydrophobicContact CE-SD 4.01Å; M166-M269 HydrophobicContact SD-CG 4.04Å; M166-M269 HydrophobicContact SD-SD 3.77Å
167	F	93.3	Very high	92.3	Very high	61 Å²	61	39.1 Å²	39.1	27%	0.268	19%	0.193	S	C	.	.	H	α-helix	trans	-52.3	-54.6	174.7	-175.8	-91.8	0	0	0	111.8	E165 H169 L170 R171 P207 E208	E165-F167 HydrophobicContact CB-CB 4.22Å; E165-F167 PolarHBondContact O-N 2.98Å; F167-H169 VanDerWaalsContact C-N 3.33Å; F167-H169 PolarHBondContact O-N 3.49Å; F167-L170 PolarHBondContact O-N 3.01Å; F167-R171 HydrophobicContact CD1-CG 4Å; F167-R171 HydrophobicContact CD2-CG 4.48Å; F167-R171 HydrophobicContact CE1-CG 3.77Å; F167-R171 HydrophobicContact CE2-CG 4.3Å; F167-R171 HydrophobicContact CG-CG 4.35Å; F167-R171 HydrophobicContact CZ-CG 3.93Å; F167-R171 WeakPolarHBondContact O-CB 3.29Å; F167-R171 VanDerWaalsContact O-CG 3.22Å; F167-R171 WeakPolarHBondContact O-CG 3.35Å; F167-R171 PolarHBondContact O-N 3.46Å; F167-P207 HydrophobicContact CB-CB 3.83Å; F167-P207 HydrophobicContact CD2-CB 4.28Å; F167-P207 PolarHBondContact N-O 3.41Å; F167-E208 HydrophobicContact CB-CG 3.93Å; F167-E208 VanDerWaalsContact CD2-CD 3.43Å; F167-E208 HydrophobicContact CD2-CG 3.82Å; F167-E208 VanDerWaalsContact CD2-OE1 3.31Å; F167-E208 WeakPolarHBondContact CD2-OE1 3.15Å; F167-E208 HydrophobicContact CE2-CG 4.46Å; F167-E208 WeakPolarHBondContact CE2-OE1 3.5Å; F167-E208 HydrophobicContact CG-CG 3.9Å
168	S	89.7	Confident	92.2	Very high	51 Å²	51	40.7 Å²	40.7	36%	0.357	20%	0.2	S	C	.	.	H	α-helix	trans	-63.9	-36.8	-177.8	-73.6	0	0	0	0	112.4	E165 M166 R172	E165-S168 PolarHBondContact O-N 3.02Å; E165-S168 VanDerWaalsContact O-N 3.16Å; M166-S168 PolarHBondContact O-N 2.82Å; S168-R172 WeakPolarHBondContact O-CB 3.43Å; S168-R172 PolarHBondContact O-N 2.92Å
169	H	89.5	Confident	92.1	Very high	10 Å²	10	43.6 Å²	43.6	5%	0.046	22%	0.22	C	C	.	.	H	α-helix	trans	-67.3	-50.2	172.2	-67.1	-66.4	0	0	0	112.2	G163 E165 M166 F167 R171 R172 I173 F176 I212	G163-H169 PolarHBondContact O-NE2 2.86Å; E165-H169 PolarHBondContact O-CD2 3.2Å; E165-H169 PolarHBondContact O-N 2.83Å; M166-H169 PolarHBondContact O-N 2.83Å; F167-H169 VanDerWaalsContact C-N 3.33Å; F167-H169 PolarHBondContact O-N 3.49Å; H169-R171 PolarHBondContact O-N 3.33Å; H169-R172 PolarHBondContact CE1-NH2 2.95Å; H169-R172 VanDerWaalsContact CE1-NH2 3.33Å; H169-R172 PolarHBondContact ND1-NH2 3.11Å; H169-R172 PolarHBondContact O-N 3.42Å; H169-I173 HydrophobicContact CB-CD1 4.42Å; H169-I173 WeakPolarHBondContact O-CB 3.3Å; H169-I173 WeakPolarHBondContact O-CD1 3.31Å; H169-I173 WeakPolarHBondContact O-CG1 3.21Å; H169-I173 PolarHBondContact O-N 3.21Å; H169-F176 HydrophobicContact CB-CZ 4.47Å; H169-I212 VanDerWaalsContact CD2-CD1 3.49Å; H169-I212 WeakPolarHBondContact CD2-CD1 3.14Å
170	L	92.6	Very high	92.1	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.005	21%	0.213	C	C	.	.	H	α-helix	trans	-61	-43.5	-177.9	-178.7	60.6	0	0	0	111.9	M166 F167 G174 F176 E268	M166-L170 WeakPolarHBondContact O-CB 3.44Å; M166-L170 PolarHBondContact O-N 3.39Å; F167-L170 PolarHBondContact O-N 3.01Å; L170-G174 CarbonylContact O-C 3.41Å; L170-G174 WeakPolarHBondContact O-CA 3.29Å; L170-G174 PolarHBondContact O-N 3.27Å; L170-F176 HydrophobicContact CB-CE1 4.12Å; L170-F176 HydrophobicContact CB-CE2 4.42Å; L170-F176 HydrophobicContact CB-CZ 3.86Å; L170-F176 HydrophobicContact CD1-CD1 3.81Å; L170-F176 HydrophobicContact CD1-CD2 4.11Å; L170-F176 HydrophobicContact CD1-CE1 3.87Å; L170-F176 HydrophobicContact CD1-CE2 4.17Å; L170-F176 HydrophobicContact CD1-CG 3.93Å; L170-F176 HydrophobicContact CD1-CZ 4.05Å; L170-E268 HydrophobicContact CD2-CG 3.9Å
171	R	92.7	Very high	92.1	Very high	107 Å²	107	40.9 Å²	40.9	40%	0.404	21%	0.207	S	C	.	.	H	α-helix	trans	-64.9	-39.2	176.5	-66.9	-70.9	174.3	-125	-8.9	112.4	F167 H169 E268 G272	F167-R171 HydrophobicContact CD1-CG 4Å; F167-R171 HydrophobicContact CD2-CG 4.48Å; F167-R171 HydrophobicContact CE1-CG 3.77Å; F167-R171 HydrophobicContact CE2-CG 4.3Å; F167-R171 HydrophobicContact CG-CG 4.35Å; F167-R171 HydrophobicContact CZ-CG 3.93Å; F167-R171 WeakPolarHBondContact O-CB 3.29Å; F167-R171 VanDerWaalsContact O-CG 3.22Å; F167-R171 WeakPolarHBondContact O-CG 3.35Å; F167-R171 PolarHBondContact O-N 3.46Å; H169-R171 PolarHBondContact O-N 3.33Å; R171-E268 IonicContact CZ-OE1 2.86Å; R171-E268 IonicContact NH1-OE1 3.75Å; R171-E268 PolarHBondContact NH1-OE1 2.97Å; R171-E268 IonicContact NH2-OE1 2.78Å; R171-E268 PolarHBondContact NH2-OE1 2.95Å; R171-G272 PolarHBondContact NH1-O 3.39Å
172	R	89	Confident	92.3	Very high	126 Å²	126	42.5 Å²	42.5	48%	0.475	21%	0.213	S	C	.	.	H	α-helix	trans	-68.6	-39.5	179	178.5	163.8	62.9	128.9	1.1	113	S168 H169 E364	S168-R172 WeakPolarHBondContact O-CB 3.43Å; S168-R172 PolarHBondContact O-N 2.92Å; H169-R172 PolarHBondContact CE1-NH2 2.95Å; H169-R172 VanDerWaalsContact CE1-NH2 3.33Å; H169-R172 PolarHBondContact ND1-NH2 3.11Å; H169-R172 PolarHBondContact O-N 3.42Å; R172-E364 IonicContact CZ-OE2 3.95Å; R172-E364 IonicContact NH1-OE2 2.66Å; R172-E364 PolarHBondContact NH1-OE2 2.83Å; R172-E364 IonicContact NH2-OE2 3.3Å; R172-E364 PolarHBondContact NH2-OE2 3.4Å
173	I	89.4	Confident	92.8	Very high	62 Å²	62	42.6 Å²	42.6	32%	0.318	21%	0.212	S	C	.	.	H	α-helix	trans	-84.6	-25	179.7	-65	153.7	0	0	0	111.4	H169 R175 F176 F353	H169-I173 HydrophobicContact CB-CD1 4.42Å; H169-I173 WeakPolarHBondContact O-CB 3.3Å; H169-I173 WeakPolarHBondContact O-CD1 3.31Å; H169-I173 WeakPolarHBondContact O-CG1 3.21Å; H169-I173 PolarHBondContact O-N 3.21Å; I173-R175 WeakPolarHBondContact CG2-O 3.42Å; I173-R175 PolarHBondContact O-N 2.88Å; I173-F176 HydrophobicContact CD1-CE1 3.97Å; I173-F353 HydrophobicContact CD1-CD2 4.03Å; I173-F353 HydrophobicContact CD1-CE2 3.27Å; I173-F353 HydrophobicContact CD1-CZ 3.79Å; I173-F353 HydrophobicContact CG1-CE2 4.28Å; I173-F353 HydrophobicContact CG2-CE1 4.45Å; I173-F353 HydrophobicContact CG2-CZ 4.25Å
174	G	93.2	Very high	93.3	Very high	39 Å²	39	42.6 Å²	42.6	40%	0.402	21%	0.212	S	C	.	.	S	Bend	trans	94.5	-47.1	-179.8	0	0	0	0	0	112.8	L170 G272	L170-G174 CarbonylContact O-C 3.41Å; L170-G174 WeakPolarHBondContact O-CA 3.29Å; L170-G174 PolarHBondContact O-N 3.27Å; G174-G272 WeakPolarHBondContact O-CA 3.41Å
175	R	94.1	Very high	93.8	Very high	120 Å²	120	42.6 Å²	42.6	45%	0.453	21%	0.211	S	C	.	.			trans	-160.9	155.9	171.4	66.2	-179.7	179.1	163.7	2.5	110.8	I173 H298	I173-R175 WeakPolarHBondContact CG2-O 3.42Å; I173-R175 PolarHBondContact O-N 2.88Å; R175-H298 PolarHBondContact NH1-CD2 2.63Å; R175-H298 PolarHBondContact NH1-CE1 3.02Å; R175-H298 VanDerWaalsContact NH1-CG 3.34Å; R175-H298 PolarHBondContact NH1-ND1 3.23Å; R175-H298 PolarHBondContact NH1-NE2 3.28Å
176	F	94.2	Very high	94.2	Very high	2 Å²	2	39 Å²	39	1%	0.009	20%	0.195	C	C	.	.			trans	-88.7	150.8	168.6	-59.5	-19.3	0	0	0	110.7	M166 H169 L170 I173 H180 Y184 M269 F353	M166-F176 HydrophobicContact CG-CE2 3.9Å; M166-F176 HydrophobicContact CG-CZ 4.13Å; M166-F176 HydrophobicContact SD-CE2 4.19Å; H169-F176 HydrophobicContact CB-CZ 4.47Å; L170-F176 HydrophobicContact CB-CE1 4.12Å; L170-F176 HydrophobicContact CB-CE2 4.42Å; L170-F176 HydrophobicContact CB-CZ 3.86Å; L170-F176 HydrophobicContact CD1-CD1 3.81Å; L170-F176 HydrophobicContact CD1-CD2 4.11Å; L170-F176 HydrophobicContact CD1-CE1 3.87Å; L170-F176 HydrophobicContact CD1-CE2 4.17Å; L170-F176 HydrophobicContact CD1-CG 3.93Å; L170-F176 HydrophobicContact CD1-CZ 4.05Å; I173-F176 HydrophobicContact CD1-CE1 3.97Å; F176-H180 HydrophobicContact CB-CB 3.99Å; F176-Y184 HydrophobicContact CD2-CD2 4.14Å; F176-Y184 HydrophobicContact CD2-CE2 4.45Å; F176-Y184 AromaticContact CE2-CD2 3.96Å; F176-Y184 HydrophobicContact CE2-CD2 3.96Å; F176-Y184 HydrophobicContact CE2-CE2 4.06Å; F176-M269 HydrophobicContact CD2-CB 3.96Å; F176-M269 HydrophobicContact CD2-CG 3.88Å; F176-M269 HydrophobicContact CD2-SD 4.01Å; F176-M269 HydrophobicContact CE2-CG 4.19Å; F176-M269 HydrophobicContact CE2-SD 4.26Å; F176-M269 PolarHBondContact N-O 3.13Å; F176-F353 HydrophobicContact CD1-CE1 4.48Å; F176-F353 AromaticContact CD1-CZ 3.76Å; F176-F353 HydrophobicContact CD1-CZ 3.76Å; F176-F353 HydrophobicContact CE1-CZ 4.11Å
177	S	94.6	Very high	94.4	Very high	61 Å²	61	39 Å²	39	43%	0.427	20%	0.195	S	C	.	.			trans	-80	158	168.9	69.6	0	0	0	0	110.7	P179 H180 S181	S177-P179 VanDerWaalsContact C-CD 3.48Å; S177-P179 VanDerWaalsContact C-N 3.34Å; S177-P179 VanDerWaalsContact O-N 3.15Å; S177-H180 WeakPolarHBondContact O-CA 3.49Å; S177-H180 WeakPolarHBondContact O-CB 3.33Å; S177-H180 PolarHBondContact O-N 2.94Å; S177-H180 PolarHBondContact OG-ND1 3.38Å; S177-S181 PolarHBondContact O-N 2.7Å; S177-S181 PolarHBondContact O-OG 3.36Å
178	E	96	Very high	94.6	Very high	33 Å²	33	36.1 Å²	36.1	15%	0.154	18%	0.182	C	C	.	.	H	α-helix	trans	-54.1	-37.7	-172.1	-61.5	-167.5	-161	0	0	115.4	S181 R182 S300 L303 W334	E178-S181 PolarHBondContact O-N 2.8Å; E178-R182 WeakPolarHBondContact O-CB 3.47Å; E178-R182 PolarHBondContact O-N 2.67Å; E178-S300 WeakPolarHBondContact OE1-CB 3.5Å; E178-S300 PolarHBondContact OE1-N 2.9Å; E178-S300 PolarHBondContact OE1-OG 3.05Å; E178-S300 WeakPolarHBondContact OE2-CB 3.44Å; E178-S300 PolarHBondContact OE2-OG 3.14Å; E178-L303 HydrophobicContact CG-CD2 3.87Å; E178-L303 WeakPolarHBondContact OE1-CD2 3.47Å; E178-W334 HydrophobicContact CB-CZ2 4.17Å; E178-W334 PolarHBondContact OE2-NE1 3.49Å
179	P	95.3	Very high	95.1	Very high	72 Å²	72	33.7 Å²	33.7	47%	0.468	17%	0.165	S	C	.	.	H	α-helix	trans	-61.8	-39.1	172.7	-25.2	36.2	0	0	0	114.1	S177 R182 F183	S177-P179 VanDerWaalsContact C-CD 3.48Å; S177-P179 VanDerWaalsContact C-N 3.34Å; S177-P179 VanDerWaalsContact O-N 3.15Å; P179-R182 PolarHBondContact O-N 3.09Å; P179-F183 PolarHBondContact O-N 2.92Å
180	H	93.6	Very high	95.5	Very high	17 Å²	17	33.3 Å²	33.3	8%	0.079	16%	0.163	C	C	.	.	H	α-helix	trans	-67	-47.7	174.8	-64.1	99.1	0	0	0	110.5	F176 S177 R182 F183 Y184 P351 F353	F176-H180 HydrophobicContact CB-CB 3.99Å; S177-H180 WeakPolarHBondContact O-CA 3.49Å; S177-H180 WeakPolarHBondContact O-CB 3.33Å; S177-H180 PolarHBondContact O-N 2.94Å; S177-H180 PolarHBondContact OG-ND1 3.38Å; H180-R182 VanDerWaalsContact C-N 3.25Å; H180-R182 PolarHBondContact O-N 3.41Å; H180-F183 PolarHBondContact O-N 3.29Å; H180-Y184 PolarHBondContact O-N 3.37Å; H180-P351 HydrophobicContact CB-CG 4.42Å; H180-P351 VanDerWaalsContact CD2-CB 3.49Å; H180-P351 WeakPolarHBondContact CD2-CB 3.23Å; H180-P351 PolarHBondContact CD2-O 3.29Å; H180-P351 VanDerWaalsContact CD2-O 3.23Å; H180-P351 PolarHBondContact NE2-O 3.2Å; H180-F353 AromaticContact CD2-CE1 3.69Å; H180-F353 AromaticContact CE1-CD1 3.46Å; H180-F353 VanDerWaalsContact CE1-CD1 3.46Å; H180-F353 WeakPolarHBondContact CE1-CD1 3.48Å; H180-F353 AromaticContact CE1-CE1 3.53Å; H180-F353 AromaticContact CG-CE1 3.77Å; H180-F353 AromaticContact ND1-CE1 3.65Å; H180-F353 AromaticContact NE2-CD1 3.48Å; H180-F353 WeakPolarHBondContact NE2-CD1 3.43Å; H180-F353 AromaticContact NE2-CE1 3.56Å
181	S	96.7	Very high	95.8	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-59	-36.5	175.9	-50.9	0	0	0	0	112.2	S177 E178 A185 M269	S177-S181 PolarHBondContact O-N 2.7Å; S177-S181 PolarHBondContact O-OG 3.36Å; E178-S181 PolarHBondContact O-N 2.8Å; S181-A185 WeakPolarHBondContact O-CB 3.21Å; S181-A185 PolarHBondContact O-N 2.91Å; S181-M269 VanDerWaalsContact O-CE 3.31Å; S181-M269 WeakPolarHBondContact O-CE 3.38Å
182	R	97.6	Very high	96	Very high	45 Å²	45	28.1 Å²	28.1	17%	0.17	14%	0.144	C	C	.	.	H	α-helix	trans	-69	-45.9	177.7	-178.6	-172.3	-59.4	132.1	14.2	112.5	E178 P179 H180 Y184 A185 A186 W334 F335 S337	E178-R182 WeakPolarHBondContact O-CB 3.47Å; E178-R182 PolarHBondContact O-N 2.67Å; P179-R182 PolarHBondContact O-N 3.09Å; H180-R182 VanDerWaalsContact C-N 3.25Å; H180-R182 PolarHBondContact O-N 3.41Å; R182-Y184 VanDerWaalsContact C-N 3.25Å; R182-Y184 PolarHBondContact O-N 3.01Å; R182-A185 PolarHBondContact O-N 2.84Å; R182-A186 WeakPolarHBondContact O-CB 3.46Å; R182-A186 PolarHBondContact O-N 2.96Å; R182-W334 VanDerWaalsContact CA-CH2 3.43Å; R182-W334 HydrophobicContact CB-CE3 4.47Å; R182-W334 HydrophobicContact CB-CH2 3.69Å; R182-W334 HydrophobicContact CB-CZ2 4.03Å; R182-W334 HydrophobicContact CB-CZ3 3.91Å; R182-W334 HydrophobicContact CG-CE3 4.39Å; R182-W334 HydrophobicContact CG-CH2 4.43Å; R182-W334 HydrophobicContact CG-CZ3 4.16Å; R182-W334 VanDerWaalsContact CZ-O 3.32Å; R182-W334 PolarHBondContact NE-O 2.9Å; R182-W334 PolarHBondContact NH2-O 2.81Å; R182-F335 HydrophobicContact CG-CD1 3.83Å; R182-F335 HydrophobicContact CG-CE1 4.09Å; R182-S337 PolarHBondContact NH1-OG 3.28Å; R182-S337 VanDerWaalsContact NH1-OG 3.14Å
183	F	96.9	Very high	96.5	Very high	13 Å²	13	23.7 Å²	23.7	6%	0.057	13%	0.128	C	C	.	.	H	α-helix	trans	-55.1	-44.4	176.5	171.9	-101.6	0	0	0	111.1	P179 H180 Q187 Y217 I343 I348 P350 P351	P179-F183 PolarHBondContact O-N 2.92Å; H180-F183 PolarHBondContact O-N 3.29Å; F183-Q187 VanDerWaalsContact CD1-NE2 3.32Å; F183-Q187 PolarHBondContact O-NE2 3.26Å; F183-Y217 HydrophobicContact CE2-CE1 4.08Å; F183-Y217 HydrophobicContact CE2-CE2 4.2Å; F183-Y217 AromaticContact CE2-CZ 3.79Å; F183-Y217 HydrophobicContact CZ-CD1 4.12Å; F183-Y217 HydrophobicContact CZ-CD2 4.03Å; F183-Y217 AromaticContact CZ-CE1 3.92Å; F183-Y217 HydrophobicContact CZ-CE1 3.92Å; F183-Y217 AromaticContact CZ-CE2 3.81Å; F183-Y217 HydrophobicContact CZ-CE2 3.81Å; F183-Y217 HydrophobicContact CZ-CG 4.18Å; F183-Y217 AromaticContact CZ-CZ 3.75Å; F183-I343 HydrophobicContact CD2-CD1 3.55Å; F183-I343 HydrophobicContact CE2-CD1 3.77Å; F183-I348 HydrophobicContact CD2-CG2 4.06Å; F183-I348 HydrophobicContact CE2-CB 4.31Å; F183-I348 HydrophobicContact CE2-CG2 3.99Å; F183-P350 HydrophobicContact CE1-CB 3.76Å; F183-P350 HydrophobicContact CE1-CG 4.46Å; F183-P350 HydrophobicContact CE2-CB 4.49Å; F183-P350 HydrophobicContact CZ-CB 3.69Å; F183-P350 HydrophobicContact CZ-CG 4.03Å; F183-P351 HydrophobicContact CB-CG 3.83Å; F183-P351 HydrophobicContact CD1-CG 4.18Å; F183-P351 VanDerWaalsContact CG-CD 3.44Å; F183-P351 HydrophobicContact CG-CG 3.99Å
184	Y	97.6	Very high	96.9	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-72.9	-44.5	176.8	-71.3	-41.1	0	0	0	113.6	M166 F176 H180 R182 A186 Q187 I188 G216 L218 M269 L366	M166-Y184 HydrophobicContact CE-CD1 4.3Å; M166-Y184 HydrophobicContact CE-CD2 3.98Å; M166-Y184 HydrophobicContact CE-CG 3.81Å; F176-Y184 HydrophobicContact CD2-CD2 4.14Å; F176-Y184 HydrophobicContact CD2-CE2 4.45Å; F176-Y184 AromaticContact CE2-CD2 3.96Å; F176-Y184 HydrophobicContact CE2-CD2 3.96Å; F176-Y184 HydrophobicContact CE2-CE2 4.06Å; H180-Y184 PolarHBondContact O-N 3.37Å; R182-Y184 VanDerWaalsContact C-N 3.25Å; R182-Y184 PolarHBondContact O-N 3.01Å; Y184-A186 VanDerWaalsContact C-N 3.26Å; Y184-A186 PolarHBondContact O-N 2.88Å; Y184-Q187 PolarHBondContact O-N 2.85Å; Y184-Q187 VanDerWaalsContact O-N 3.15Å; Y184-I188 PolarHBondContact O-N 3.45Å; Y184-G216 WeakPolarHBondContact CE1-O 3.26Å; Y184-G216 PolarHBondContact OH-O 2.8Å; Y184-L218 HydrophobicContact CD1-CD1 3.59Å; Y184-L218 HydrophobicContact CD1-CD2 3.65Å; Y184-L218 HydrophobicContact CD1-CG 3.44Å; Y184-L218 VanDerWaalsContact CD1-CG 3.44Å; Y184-L218 HydrophobicContact CE1-CD1 4.46Å; Y184-L218 HydrophobicContact CE1-CD2 3.7Å; Y184-L218 HydrophobicContact CE1-CG 3.84Å; Y184-L218 HydrophobicContact CG-CD1 4.07Å; Y184-L218 HydrophobicContact CG-CD2 4.4Å; Y184-L218 HydrophobicContact CG-CG 4.34Å; Y184-M269 HydrophobicContact CD2-SD 4.41Å; Y184-L366 HydrophobicContact CE2-CD1 3.74Å; Y184-L366 HydrophobicContact CE2-CD2 4.22Å; Y184-L366 WeakPolarHBondContact OH-CD1 3.39Å; Y184-L366 WeakPolarHBondContact OH-CD2 3.04Å
185	A	98.7	Very high	97.1	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-59.3	-35.6	176.3	0	0	0	0	0	112.9	S181 R182 Q187 I188 V189 L262 I266 M269 W334 F335	S181-A185 WeakPolarHBondContact O-CB 3.21Å; S181-A185 PolarHBondContact O-N 2.91Å; R182-A185 PolarHBondContact O-N 2.84Å; A185-Q187 VanDerWaalsContact C-N 3.33Å; A185-Q187 PolarHBondContact O-N 3.15Å; A185-I188 PolarHBondContact O-N 3.28Å; A185-V189 VanDerWaalsContact O-CG2 3.3Å; A185-V189 WeakPolarHBondContact O-CG2 3.49Å; A185-V189 PolarHBondContact O-N 2.69Å; A185-L262 HydrophobicContact CB-CD1 4.49Å; A185-I266 HydrophobicContact CB-CD1 3.78Å; A185-I266 HydrophobicContact CB-CG1 3.68Å; A185-M269 HydrophobicContact CB-CE 4.27Å; A185-W334 HydrophobicContact CB-CH2 4.48Å; A185-W334 HydrophobicContact CB-CZ3 4.13Å; A185-F335 HydrophobicContact CB-CE1 4.01Å; A185-F335 HydrophobicContact CB-CZ 3.79Å
186	A	98.6	Very high	97.3	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-62.6	-38.6	177.4	0	0	0	0	0	112.4	R182 Y184 V189 L190 F335 T338 W340 I343	R182-A186 WeakPolarHBondContact O-CB 3.46Å; R182-A186 PolarHBondContact O-N 2.96Å; Y184-A186 VanDerWaalsContact C-N 3.26Å; Y184-A186 PolarHBondContact O-N 2.88Å; A186-V189 PolarHBondContact O-N 3.33Å; A186-L190 WeakPolarHBondContact O-CG 2.93Å; A186-L190 PolarHBondContact O-N 2.96Å; A186-L190 VanDerWaalsContact O-N 3.07Å; A186-F335 HydrophobicContact CB-CE1 4.16Å; A186-T338 HydrophobicContact CB-CG2 3.73Å; A186-W340 HydrophobicContact CB-CE3 4.37Å; A186-W340 HydrophobicContact CB-CH2 4.06Å; A186-W340 HydrophobicContact CB-CZ3 3.71Å; A186-I343 HydrophobicContact CB-CG1 4.45Å; A186-I343 HydrophobicContact CB-CG2 4.37Å
187	Q	98.4	Very high	97.4	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-66.4	-42	176.2	-67.1	163	67.3	0	0	111.3	F140 F183 Y184 A185 L190 A191 Y217 L218 I343	F140-Q187 HydrophobicContact CB-CB 4.49Å; F140-Q187 HydrophobicContact CD1-CB 4.38Å; F140-Q187 HydrophobicContact CD1-CG 4.17Å; F140-Q187 HydrophobicContact CD2-CB 3.72Å; F140-Q187 HydrophobicContact CD2-CG 4.05Å; F140-Q187 WeakPolarHBondContact CD2-O 3.26Å; F140-Q187 HydrophobicContact CE1-CG 4.06Å; F140-Q187 HydrophobicContact CE2-CB 4.04Å; F140-Q187 HydrophobicContact CE2-CG 3.92Å; F140-Q187 HydrophobicContact CG-CB 3.93Å; F140-Q187 HydrophobicContact CG-CG 4.2Å; F140-Q187 HydrophobicContact CZ-CG 3.93Å; F183-Q187 VanDerWaalsContact CD1-NE2 3.32Å; F183-Q187 PolarHBondContact O-NE2 3.26Å; Y184-Q187 PolarHBondContact O-N 2.85Å; Y184-Q187 VanDerWaalsContact O-N 3.15Å; A185-Q187 VanDerWaalsContact C-N 3.33Å; A185-Q187 PolarHBondContact O-N 3.15Å; Q187-L190 PolarHBondContact O-N 3.45Å; Q187-A191 WeakPolarHBondContact O-CB 3.26Å; Q187-A191 PolarHBondContact O-N 3.28Å; Q187-Y217 HydrophobicContact CG-CD1 4.17Å; Q187-Y217 HydrophobicContact CG-CE1 4.31Å; Q187-L218 HydrophobicContact CB-CD1 4.41Å; Q187-I343 HydrophobicContact CG-CG2 3.84Å
188	I	98.8	Very high	97.5	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-65.9	-39.5	175.5	-53.3	-55.1	0	0	0	111.6	Y184 A185 L190 A191 F192 L205 L210 L218 I220 L262 L265	Y184-I188 PolarHBondContact O-N 3.45Å; A185-I188 PolarHBondContact O-N 3.28Å; I188-L190 PolarHBondContact O-N 3.35Å; I188-A191 PolarHBondContact O-N 2.93Å; I188-F192 HydrophobicContact CG2-CD1 4.43Å; I188-F192 HydrophobicContact CG2-CD2 3.91Å; I188-F192 HydrophobicContact CG2-CE1 4.18Å; I188-F192 HydrophobicContact CG2-CE2 3.61Å; I188-F192 HydrophobicContact CG2-CG 4.32Å; I188-F192 HydrophobicContact CG2-CZ 3.78Å; I188-F192 WeakPolarHBondContact O-CB 3.4Å; I188-F192 WeakPolarHBondContact O-CG 3.46Å; I188-F192 PolarHBondContact O-N 2.88Å; I188-L205 HydrophobicContact CD1-CD1 4.18Å; I188-L205 HydrophobicContact CG1-CD1 4.49Å; I188-L205 HydrophobicContact CG2-CD1 3.83Å; I188-L205 HydrophobicContact CG2-CD2 3.96Å; I188-L210 HydrophobicContact CD1-CD1 4.12Å; I188-L210 HydrophobicContact CD1-CD2 3.57Å; I188-L218 HydrophobicContact CD1-CD1 3.88Å; I188-L218 HydrophobicContact CG1-CD1 4.28Å; I188-I220 HydrophobicContact CD1-CD1 3.74Å; I188-I220 HydrophobicContact CD1-CG1 3.91Å; I188-L262 HydrophobicContact CB-CD1 4Å; I188-L262 HydrophobicContact CG2-CD1 3.85Å; I188-L265 HydrophobicContact CG1-CD2 4.09Å
189	V	98.8	Very high	97.6	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-59.2	-46.1	175	167.4	0	0	0	0	111.3	A185 A186 F192 E193 W259 L262 V326 I329 K330 F335 W340	A185-V189 VanDerWaalsContact O-CG2 3.3Å; A185-V189 WeakPolarHBondContact O-CG2 3.49Å; A185-V189 PolarHBondContact O-N 2.69Å; A186-V189 PolarHBondContact O-N 3.33Å; V189-F192 PolarHBondContact O-N 3.48Å; V189-E193 VanDerWaalsContact O-CB 3.3Å; V189-E193 WeakPolarHBondContact O-CB 3.4Å; V189-E193 PolarHBondContact O-N 2.79Å; V189-W259 HydrophobicContact CG1-CZ3 4.49Å; V189-W259 HydrophobicContact CG2-CZ3 4.24Å; V189-L262 HydrophobicContact CG2-CD2 3.53Å; V189-V326 HydrophobicContact CG1-CG2 3.74Å; V189-I329 HydrophobicContact CG1-CG2 4.44Å; V189-I329 HydrophobicContact CG2-CG2 3.8Å; V189-K330 HydrophobicContact CG1-CD 4.17Å; V189-K330 HydrophobicContact CG1-CG 3.69Å; V189-F335 HydrophobicContact CG2-CZ 4.12Å; V189-W340 HydrophobicContact CB-CH2 4.09Å; V189-W340 HydrophobicContact CB-CZ3 3.87Å; V189-W340 HydrophobicContact CG1-CH2 3.83Å; V189-W340 HydrophobicContact CG1-CZ3 3.68Å; V189-W340 HydrophobicContact CG2-CH2 4.45Å
190	L	98.2	Very high	97.7	Very high	1 Å²	1	10 Å²	10	1%	0.005	5%	0.049	C	C	.	.	H	α-helix	trans	-67	-39	177.3	-71	166.6	0	0	0	112.3	F53 F138 F140 A186 Q187 I188 E193 Y194 W340 I343	F53-L190 HydrophobicContact CD1-CD2 4.34Å; F53-L190 HydrophobicContact CE1-CD2 3.85Å; F53-L190 HydrophobicContact CE2-CD2 4.13Å; F53-L190 HydrophobicContact CZ-CB 4.47Å; F53-L190 HydrophobicContact CZ-CD2 3.75Å; F138-L190 HydrophobicContact CE1-CB 4.22Å; F138-L190 HydrophobicContact CZ-CB 4.03Å; F140-L190 HydrophobicContact CD2-CB 4.42Å; F140-L190 HydrophobicContact CE2-CB 4.17Å; F140-L190 HydrophobicContact CE2-CD1 3.92Å; A186-L190 WeakPolarHBondContact O-CG 2.93Å; A186-L190 PolarHBondContact O-N 2.96Å; A186-L190 VanDerWaalsContact O-N 3.07Å; Q187-L190 PolarHBondContact O-N 3.45Å; I188-L190 PolarHBondContact O-N 3.35Å; L190-E193 PolarHBondContact O-N 2.83Å; L190-Y194 WeakPolarHBondContact O-CB 3.32Å; L190-Y194 PolarHBondContact O-N 3.38Å; L190-W340 HydrophobicContact CD1-CE3 4.03Å; L190-W340 HydrophobicContact CD2-CE3 3.98Å; L190-W340 HydrophobicContact CG-CE3 3.81Å; L190-W340 HydrophobicContact CG-CZ3 4.19Å; L190-I343 HydrophobicContact CD1-CB 4.25Å; L190-I343 HydrophobicContact CD1-CG2 3.67Å
191	A	98.6	Very high	98	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-66.2	-38.6	176.3	0	0	0	0	0	112.7	F138 L141 Q187 I188 Y194 L195 I220	F138-A191 HydrophobicContact CD1-CB 4.28Å; F138-A191 HydrophobicContact CE1-CB 4.16Å; L141-A191 HydrophobicContact CD2-CB 3.91Å; Q187-A191 WeakPolarHBondContact O-CB 3.26Å; Q187-A191 PolarHBondContact O-N 3.28Å; I188-A191 PolarHBondContact O-N 2.93Å; A191-Y194 WeakPolarHBondContact O-CB 3.4Å; A191-L195 WeakPolarHBondContact O-CB 3.35Å; A191-L195 WeakPolarHBondContact O-CG 3.3Å; A191-L195 PolarHBondContact O-N 2.9Å; A191-I220 HydrophobicContact CB-CD1 3.71Å
192	F	98.7	Very high	98	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-72.4	-39.2	173.1	-72.3	-11.4	0	0	0	112.4	I188 V189 Y194 L195 H196 Y202 L205 D258 W259 L262	I188-F192 HydrophobicContact CG2-CD1 4.43Å; I188-F192 HydrophobicContact CG2-CD2 3.91Å; I188-F192 HydrophobicContact CG2-CE1 4.18Å; I188-F192 HydrophobicContact CG2-CE2 3.61Å; I188-F192 HydrophobicContact CG2-CG 4.32Å; I188-F192 HydrophobicContact CG2-CZ 3.78Å; I188-F192 WeakPolarHBondContact O-CB 3.4Å; I188-F192 WeakPolarHBondContact O-CG 3.46Å; I188-F192 PolarHBondContact O-N 2.88Å; V189-F192 PolarHBondContact O-N 3.48Å; F192-Y194 VanDerWaalsContact C-N 3.28Å; F192-Y194 PolarHBondContact O-N 3.09Å; F192-L195 PolarHBondContact O-N 3.29Å; F192-H196 WeakPolarHBondContact O-CB 3.28Å; F192-H196 PolarHBondContact O-CD2 3.41Å; F192-H196 VanDerWaalsContact O-CD2 3.28Å; F192-H196 PolarHBondContact O-N 2.9Å; F192-Y202 HydrophobicContact CE1-CD1 4.03Å; F192-Y202 HydrophobicContact CE1-CG 4.29Å; F192-Y202 HydrophobicContact CZ-CD1 4.41Å; F192-L205 HydrophobicContact CE1-CD1 4.5Å; F192-L205 HydrophobicContact CE2-CD2 3.96Å; F192-L205 HydrophobicContact CZ-CB 4.01Å; F192-L205 HydrophobicContact CZ-CD1 3.93Å; F192-L205 HydrophobicContact CZ-CD2 3.81Å; F192-L205 HydrophobicContact CZ-CG 4.13Å; F192-D258 HydrophobicContact CD2-CB 3.95Å; F192-D258 HydrophobicContact CE1-CB 4.3Å; F192-D258 HydrophobicContact CE2-CB 3.7Å; F192-D258 VanDerWaalsContact CE2-O 3.29Å; F192-D258 WeakPolarHBondContact CE2-O 3.48Å; F192-D258 HydrophobicContact CG-CB 4.35Å; F192-D258 HydrophobicContact CZ-CB 3.87Å; F192-W259 HydrophobicContact CB-CH2 3.47Å; F192-W259 VanDerWaalsContact CB-CH2 3.47Å; F192-W259 HydrophobicContact CB-CZ2 3.9Å; F192-W259 HydrophobicContact CB-CZ3 3.87Å; F192-W259 HydrophobicContact CD2-CE3 4.04Å; F192-W259 HydrophobicContact CD2-CH2 4.36Å; F192-W259 AromaticContact CD2-CZ3 3.91Å; F192-W259 HydrophobicContact CD2-CZ3 3.91Å; F192-W259 HydrophobicContact CG-CH2 4.46Å; F192-W259 HydrophobicContact CG-CZ3 4.43Å; F192-L262 HydrophobicContact CE2-CB 4.22Å
193	E	98	Very high	98	Very high	32 Å²	32	7.9 Å²	7.9	15%	0.15	4%	0.041	C	C	.	.	H	α-helix	trans	-56.9	-43.2	172.2	-175	171.1	-155	0	0	111.7	F53 L57 V189 L190 S197 V326 K330	F53-E193 HydrophobicContact CE1-CB 4.47Å; F53-E193 HydrophobicContact CE1-CG 3.95Å; F53-E193 WeakPolarHBondContact CE1-OE2 3.26Å; L57-E193 HydrophobicContact CD1-CG 3.96Å; V189-E193 VanDerWaalsContact O-CB 3.3Å; V189-E193 WeakPolarHBondContact O-CB 3.4Å; V189-E193 PolarHBondContact O-N 2.79Å; L190-E193 PolarHBondContact O-N 2.83Å; E193-S197 PolarHBondContact O-N 2.91Å; E193-V326 HydrophobicContact CB-CG2 4.26Å; E193-V326 HydrophobicContact CG-CG1 3.9Å; E193-V326 HydrophobicContact CG-CG2 4.49Å; E193-V326 WeakPolarHBondContact OE1-CG1 3.1Å; E193-K330 IonicContact OE1-NZ 2.69Å; E193-K330 PolarHBondContact OE1-NZ 3.15Å; E193-K330 WeakPolarHBondContact OE2-CD 3.45Å; E193-K330 WeakPolarHBondContact OE2-CE 3.46Å; E193-K330 IonicContact OE2-NZ 2.59Å; E193-K330 PolarHBondContact OE2-NZ 3.46Å
194	Y	98.2	Very high	98	Very high	3 Å²	3	7.7 Å²	7.7	1%	0.012	4%	0.04	C	C	.	.	H	α-helix	trans	-58.5	-63.3	170.2	174.2	-92.4	0	0	0	112	F56 L57 A60 I136 D137 F138 L141 L190 A191 F192 H196 S197 L198	F56-Y194 AromaticContact CE1-CD2 3.91Å; F56-Y194 HydrophobicContact CE1-CD2 3.91Å; F56-Y194 HydrophobicContact CE1-CE2 4.24Å; F56-Y194 HydrophobicContact CZ-CD2 4.31Å; F56-Y194 HydrophobicContact CZ-CE2 4.21Å; L57-Y194 HydrophobicContact CD2-CD2 4.26Å; A60-Y194 HydrophobicContact CB-CD2 4.42Å; A60-Y194 HydrophobicContact CB-CE2 3.81Å; I136-Y194 WeakPolarHBondContact CA-OH 3.47Å; I136-Y194 HydrophobicContact CB-CE1 4.11Å; I136-Y194 HydrophobicContact CG2-CE1 4.18Å; D137-Y194 PolarHBondContact N-OH 3.3Å; D137-Y194 WeakPolarHBondContact O-CE2 3.38Å; D137-Y194 VanDerWaalsContact O-CZ 3.28Å; D137-Y194 PolarHBondContact O-OH 3.3Å; D137-Y194 VanDerWaalsContact O-OH 3.11Å; F138-Y194 HydrophobicContact CB-CD1 3.95Å; F138-Y194 HydrophobicContact CB-CD2 4.19Å; F138-Y194 HydrophobicContact CB-CE1 3.95Å; F138-Y194 HydrophobicContact CB-CE2 4.12Å; F138-Y194 HydrophobicContact CB-CG 4.1Å; F138-Y194 HydrophobicContact CD1-CG 4.4Å; F138-Y194 HydrophobicContact CD2-CD1 4.34Å; F138-Y194 AromaticContact CD2-CD2 3.38Å; F138-Y194 HydrophobicContact CD2-CD2 3.38Å; F138-Y194 AromaticContact CD2-CE2 3.91Å; F138-Y194 HydrophobicContact CD2-CE2 3.91Å; F138-Y194 AromaticContact CD2-CG 3.63Å; F138-Y194 HydrophobicContact CD2-CG 3.63Å; F138-Y194 AromaticContact CE2-CD2 3.98Å; F138-Y194 HydrophobicContact CE2-CD2 3.98Å; F138-Y194 HydrophobicContact CE2-CG 4.16Å; F138-Y194 HydrophobicContact CG-CD1 4.07Å; F138-Y194 AromaticContact CG-CD2 3.94Å; F138-Y194 HydrophobicContact CG-CD2 3.94Å; F138-Y194 HydrophobicContact CG-CE2 4.34Å; F138-Y194 AromaticContact CG-CG 3.78Å; F138-Y194 HydrophobicContact CG-CG 3.78Å; L141-Y194 HydrophobicContact CD1-CD1 3.81Å; L141-Y194 HydrophobicContact CD1-CE1 3.84Å; L190-Y194 WeakPolarHBondContact O-CB 3.32Å; L190-Y194 PolarHBondContact O-N 3.38Å; A191-Y194 WeakPolarHBondContact O-CB 3.4Å; F192-Y194 VanDerWaalsContact C-N 3.28Å; F192-Y194 PolarHBondContact O-N 3.09Å; Y194-H196 VanDerWaalsContact C-N 3.3Å; Y194-H196 PolarHBondContact O-N 3.05Å; Y194-S197 WeakPolarHBondContact O-CB 3.38Å; Y194-S197 PolarHBondContact O-N 3.28Å; Y194-S197 PolarHBondContact O-OG 2.99Å; Y194-L198 HydrophobicContact CD1-CD1 4.18Å; Y194-L198 HydrophobicContact CE1-CD1 3.52Å; Y194-L198 HydrophobicContact CE2-CD1 4.4Å
195	L	98.3	Very high	98.1	Very high	1 Å²	1	7.7 Å²	7.7	1%	0.005	4%	0.041	C	C	.	.	H	α-helix	trans	-57.9	-41.5	-176.1	-71.6	174.8	0	0	0	112.3	I136 L141 A191 F192 S197 L198 L200 F223	I136-L195 HydrophobicContact CG2-CD2 4.05Å; L141-L195 HydrophobicContact CD1-CD1 4.42Å; L141-L195 HydrophobicContact CD1-CD2 3.86Å; L141-L195 HydrophobicContact CD1-CG 4.09Å; L141-L195 HydrophobicContact CD2-CD1 4.46Å; A191-L195 WeakPolarHBondContact O-CB 3.35Å; A191-L195 WeakPolarHBondContact O-CG 3.3Å; A191-L195 PolarHBondContact O-N 2.9Å; F192-L195 PolarHBondContact O-N 3.29Å; L195-S197 PolarHBondContact O-N 2.86Å; L195-L198 WeakPolarHBondContact O-CB 3.13Å; L195-L198 PolarHBondContact O-N 3.38Å; L195-L200 CarbonylContact C-O 3.51Å; L195-L200 HydrophobicContact CB-CB 4.09Å; L195-L200 HydrophobicContact CD2-CB 4.14Å; L195-L200 HydrophobicContact CD2-CD1 3.61Å; L195-L200 WeakPolarHBondContact O-CB 3.3Å; L195-L200 PolarHBondContact O-N 2.65Å; L195-F223 HydrophobicContact CD1-CE1 4.22Å; L195-F223 HydrophobicContact CD1-CZ 4.47Å; L195-F223 HydrophobicContact CD2-CE1 4.13Å
196	H	97.7	Very high	98	Very high	13 Å²	13	9.2 Å²	9.2	6%	0.06	5%	0.047	C	C	.	.	H	α-helix	trans	-71	-13.4	-179.2	-69.5	-167	0	0	0	113.6	F192 Y194 L200 K255 D258 W259	F192-H196 WeakPolarHBondContact O-CB 3.28Å; F192-H196 PolarHBondContact O-CD2 3.41Å; F192-H196 VanDerWaalsContact O-CD2 3.28Å; F192-H196 PolarHBondContact O-N 2.9Å; Y194-H196 VanDerWaalsContact C-N 3.3Å; Y194-H196 PolarHBondContact O-N 3.05Å; H196-L200 PolarHBondContact CD2-O 3.05Å; H196-L200 VanDerWaalsContact CD2-O 3.28Å; H196-K255 HydrophobicContact CB-CD 3.84Å; H196-K255 PolarHBondContact CE1-O 3.3Å; H196-K255 VanDerWaalsContact CE1-O 3.31Å; H196-K255 PolarHBondContact O-NZ 3.34Å; H196-D258 IonicContact CD2-OD2 2.69Å; H196-D258 IonicContact CE1-OD2 3.87Å; H196-D258 IonicContact NE2-OD2 3.04Å; H196-D258 PolarHBondContact NE2-OD2 3.01Å; H196-W259 AromaticContact CE1-CD1 3.93Å; H196-W259 AromaticContact CE1-CE2 3.55Å; H196-W259 AromaticContact CE1-CZ2 3.83Å; H196-W259 AromaticContact CE1-NE1 3.28Å; H196-W259 PolarHBondContact CE1-NE1 2.91Å; H196-W259 VanDerWaalsContact CE1-NE1 3.28Å; H196-W259 AromaticContact ND1-CE2 3.53Å; H196-W259 AromaticContact ND1-CZ2 3.55Å; H196-W259 AromaticContact ND1-NE1 3.19Å; H196-W259 PolarHBondContact ND1-NE1 3.13Å; H196-W259 VanDerWaalsContact ND1-NE1 3.19Å
197	S	96.4	Very high	98	Very high	28 Å²	28	9.3 Å²	9.3	20%	0.196	5%	0.048	C	C	.	.	H	α-helix	trans	-82	-21.1	169.6	81.4	0	0	0	0	112.7	R61 E193 Y194 L195	R61-S197 VanDerWaalsContact CD-O 3.31Å; R61-S197 WeakPolarHBondContact CD-O 3.48Å; R61-S197 WeakPolarHBondContact CG-O 3.47Å; E193-S197 PolarHBondContact O-N 2.91Å; Y194-S197 WeakPolarHBondContact O-CB 3.38Å; Y194-S197 PolarHBondContact O-N 3.28Å; Y194-S197 PolarHBondContact O-OG 2.99Å; L195-S197 PolarHBondContact O-N 2.86Å
198	L	97.4	Very high	97.8	Very high	2 Å²	2	12.2 Å²	12.2	1%	0.01	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	5.5	-179.6	-55.7	-179.8	0	0	0	113.4	R61 F64 I136 Y194 L195 L200 R228	R61-L198 HydrophobicContact CB-CD2 4.46Å; R61-L198 HydrophobicContact CG-CD2 3.83Å; F64-L198 HydrophobicContact CB-CD1 4.09Å; F64-L198 HydrophobicContact CB-CD2 3.65Å; F64-L198 HydrophobicContact CB-CG 4.44Å; F64-L198 HydrophobicContact CD1-CB 3.96Å; F64-L198 HydrophobicContact CD1-CD1 4.27Å; F64-L198 HydrophobicContact CD1-CD2 3.8Å; F64-L198 HydrophobicContact CD1-CG 4.22Å; F64-L198 HydrophobicContact CD2-CD1 3.69Å; F64-L198 HydrophobicContact CD2-CG 4.5Å; F64-L198 HydrophobicContact CE1-CB 3.93Å; F64-L198 HydrophobicContact CE2-CD1 4.18Å; F64-L198 HydrophobicContact CG-CB 4.31Å; F64-L198 HydrophobicContact CG-CD1 3.76Å; F64-L198 HydrophobicContact CG-CD2 3.75Å; F64-L198 HydrophobicContact CG-CG 4.14Å; F64-L198 HydrophobicContact CZ-CB 4.29Å; I136-L198 HydrophobicContact CG2-CD1 4.23Å; Y194-L198 HydrophobicContact CD1-CD1 4.18Å; Y194-L198 HydrophobicContact CE1-CD1 3.52Å; Y194-L198 HydrophobicContact CE2-CD1 4.4Å; L195-L198 WeakPolarHBondContact O-CB 3.13Å; L195-L198 PolarHBondContact O-N 3.38Å; L198-L200 HydrophobicContact CB-CD1 4.01Å; L198-L200 HydrophobicContact CB-CG 3.97Å; L198-L200 HydrophobicContact CD1-CD1 3.98Å; L198-L200 PolarHBondContact O-N 2.96Å; L198-R228 PolarHBondContact O-NE 3.26Å; L198-R228 VanDerWaalsContact O-NE 3.14Å
199	D	97.4	Very high	97.7	Very high	54 Å²	54	12.9 Å²	12.9	29%	0.289	7%	0.065	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.3	17.4	-162.5	-54.2	-64.6	0	0	0	114.4	R228 V229 K230	D199-R228 HydrophobicContact CB-CG 3.99Å; D199-R228 CarbonylContact O-C 3.53Å; D199-R228 WeakPolarHBondContact O-CA 3.29Å; D199-V229 PolarHBondContact O-N 2.86Å; D199-K230 HydrophobicContact CB-CG 4.09Å; D199-K230 WeakPolarHBondContact OD2-CE 3.45Å; D199-K230 IonicContact OD2-NZ 2.74Å
200	L	98.2	Very high	97.6	Very high	1 Å²	1	12.9 Å²	12.9	1%	0.005	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	140	177.8	-62.1	172.1	0	0	0	111.3	F64 I132 I136 L195 H196 L198 R228	F64-L200 HydrophobicContact CE2-CD1 3.84Å; F64-L200 HydrophobicContact CZ-CD1 3.98Å; F64-L200 HydrophobicContact CZ-CD2 4.23Å; F64-L200 HydrophobicContact CZ-CG 4.2Å; I132-L200 HydrophobicContact CD1-CD2 3.96Å; I132-L200 HydrophobicContact CG1-CD2 3.91Å; I132-L200 HydrophobicContact CG2-CD1 3.96Å; I132-L200 HydrophobicContact CG2-CD2 4.35Å; I136-L200 HydrophobicContact CG2-CD1 3.68Å; L195-L200 CarbonylContact C-O 3.51Å; L195-L200 HydrophobicContact CB-CB 4.09Å; L195-L200 HydrophobicContact CD2-CB 4.14Å; L195-L200 HydrophobicContact CD2-CD1 3.61Å; L195-L200 WeakPolarHBondContact O-CB 3.3Å; L195-L200 PolarHBondContact O-N 2.65Å; H196-L200 PolarHBondContact CD2-O 3.05Å; H196-L200 VanDerWaalsContact CD2-O 3.28Å; L198-L200 HydrophobicContact CB-CD1 4.01Å; L198-L200 HydrophobicContact CB-CG 3.97Å; L198-L200 HydrophobicContact CD1-CD1 3.98Å; L198-L200 PolarHBondContact O-N 2.96Å; L200-R228 HydrophobicContact CD2-CB 3.79Å; L200-R228 HydrophobicContact CD2-CG 4.08Å
201	I	97.9	Very high	97.4	Very high	4 Å²	4	14 Å²	14	2%	0.021	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	134.6	168.6	-47.5	176.1	0	0	0	107	R203 A226 K227 V229 K255 V257 D258	I201-R203 HydrophobicContact CB-CG 4.13Å; I201-R203 HydrophobicContact CG2-CG 3.52Å; I201-A226 CarbonylContact O-C 3.5Å; I201-A226 VanDerWaalsContact O-CA 3.24Å; I201-A226 WeakPolarHBondContact O-CA 3.38Å; I201-K227 PolarHBondContact N-O 3.36Å; I201-K227 PolarHBondContact O-N 2.77Å; I201-V229 HydrophobicContact CD1-CB 3.72Å; I201-V229 HydrophobicContact CD1-CG1 4.05Å; I201-V229 HydrophobicContact CD1-CG2 4.02Å; I201-V229 HydrophobicContact CG1-CB 4.27Å; I201-K255 HydrophobicContact CD1-CB 4.42Å; I201-K255 HydrophobicContact CG1-CB 4.1Å; I201-V257 HydrophobicContact CG2-CG2 3.77Å; I201-D258 WeakPolarHBondContact CA-OD2 3.48Å; I201-D258 VanDerWaalsContact CG2-OD2 3.25Å; I201-D258 WeakPolarHBondContact CG2-OD2 3.38Å
202	Y	98.3	Very high	97.2	Very high	1 Å²	1	14 Å²	14	0%	0.004	7%	0.07	C	C	.	.			trans	-88.4	-43.9	-171.6	178.1	-112.2	0	0	0	113.8	F192 D204 L205 N209 I220 T221 D222 F223 F225 A226 D258	F192-Y202 HydrophobicContact CE1-CD1 4.03Å; F192-Y202 HydrophobicContact CE1-CG 4.29Å; F192-Y202 HydrophobicContact CZ-CD1 4.41Å; Y202-D204 VanDerWaalsContact C-N 3.31Å; Y202-D204 WeakPolarHBondContact CE1-O 3.41Å; Y202-D204 PolarHBondContact O-N 3.46Å; Y202-L205 HydrophobicContact CD1-CB 4.2Å; Y202-L205 HydrophobicContact CE1-CB 4.19Å; Y202-N209 WeakPolarHBondContact OH-CB 3.22Å; Y202-N209 PolarHBondContact OH-ND2 3.27Å; Y202-I220 HydrophobicContact CD2-CG2 4.45Å; Y202-I220 HydrophobicContact CE1-CG2 3.89Å; Y202-I220 HydrophobicContact CE2-CG2 3.75Å; Y202-I220 VanDerWaalsContact CZ-CG2 3.45Å; Y202-T221 PolarHBondContact OH-O 3.33Å; Y202-D222 WeakPolarHBondContact CE2-O 3.01Å; Y202-D222 PolarHBondContact OH-O 3.1Å; Y202-F223 HydrophobicContact CD2-CD1 4.27Å; Y202-F223 HydrophobicContact CD2-CE1 4.09Å; Y202-F223 HydrophobicContact CD2-CZ 4.27Å; Y202-F223 HydrophobicContact CE2-CD1 4.45Å; Y202-F223 HydrophobicContact CE2-CD2 4.2Å; Y202-F223 HydrophobicContact CE2-CE1 4.41Å; Y202-F223 HydrophobicContact CE2-CE2 4.17Å; Y202-F223 HydrophobicContact CE2-CG 4.35Å; Y202-F223 HydrophobicContact CE2-CZ 4.27Å; Y202-F225 CarbonylContact O-C 3.51Å; Y202-A226 HydrophobicContact CD2-CB 4.37Å; Y202-A226 PolarHBondContact O-N 3.09Å; Y202-D258 PolarHBondContact N-OD1 3.24Å; Y202-D258 PolarHBondContact N-OD2 3.3Å
203	R	97.8	Very high	96.7	Very high	13 Å²	13	14.6 Å²	14.6	5%	0.049	7%	0.074	C	C	.	.			trans	67.1	-1.4	168.9	-49.7	-171.2	-66	168.1	3.6	119.2	I201 F225 C237 G238 Y253 V257 D258	I201-R203 HydrophobicContact CB-CG 4.13Å; I201-R203 HydrophobicContact CG2-CG 3.52Å; R203-F225 HydrophobicContact CB-CB 4.4Å; R203-F225 PolarHBondContact NE-O 3.35Å; R203-F225 PolarHBondContact NH2-O 3.27Å; R203-C237 PolarHBondContact NH1-SG 2.79Å; R203-C237 VanDerWaalsContact NH1-SG 3.41Å; R203-G238 WeakPolarHBondContact O-CA 3.25Å; R203-Y253 WeakPolarHBondContact CD-OH 3.36Å; R203-Y253 PolarHBondContact NH1-OH 3.18Å; R203-V257 HydrophobicContact CG-CG2 4.26Å; R203-D258 PolarHBondContact N-OD1 2.69Å
204	D	97	Very high	96.1	Very high	8 Å²	8	16.5 Å²	16.5	4%	0.043	9%	0.091	C	C	.	.			trans	-139.3	47	174	-155.6	37	0	0	0	113.9	Y202 K206 N209 F225 G238 T239	Y202-D204 VanDerWaalsContact C-N 3.31Å; Y202-D204 WeakPolarHBondContact CE1-O 3.41Å; Y202-D204 PolarHBondContact O-N 3.46Å; D204-K206 PolarHBondContact O-N 3.46Å; D204-K206 IonicContact OD1-NZ 3.01Å; D204-K206 IonicContact OD2-NZ 2.79Å; D204-K206 PolarHBondContact OD2-NZ 2.83Å; D204-N209 PolarHBondContact O-ND2 3.08Å; D204-N209 PolarHBondContact OD2-ND2 2.94Å; D204-F225 HydrophobicContact CB-CB 4.4Å; D204-F225 HydrophobicContact CB-CD2 3.85Å; D204-G238 WeakPolarHBondContact OD1-CA 3.29Å; D204-T239 PolarHBondContact OD1-N 3.17Å; D204-T239 PolarHBondContact OD1-OG1 3.14Å
205	L	98.6	Very high	95.6	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.005	11%	0.109	C	C	.	.			trans	-70	122.2	172.6	-173.8	79.5	0	0	0	110.2	I188 F192 Y202 L210 Y242 A261 L262 L265	I188-L205 HydrophobicContact CD1-CD1 4.18Å; I188-L205 HydrophobicContact CG1-CD1 4.49Å; I188-L205 HydrophobicContact CG2-CD1 3.83Å; I188-L205 HydrophobicContact CG2-CD2 3.96Å; F192-L205 HydrophobicContact CE1-CD1 4.5Å; F192-L205 HydrophobicContact CE2-CD2 3.96Å; F192-L205 HydrophobicContact CZ-CB 4.01Å; F192-L205 HydrophobicContact CZ-CD1 3.93Å; F192-L205 HydrophobicContact CZ-CD2 3.81Å; F192-L205 HydrophobicContact CZ-CG 4.13Å; Y202-L205 HydrophobicContact CD1-CB 4.2Å; Y202-L205 HydrophobicContact CE1-CB 4.19Å; L205-L210 HydrophobicContact CD1-CD1 4.25Å; L205-L210 HydrophobicContact CD1-CD2 4Å; L205-L210 HydrophobicContact CD1-CG 4.44Å; L205-Y242 WeakPolarHBondContact O-CD1 3.44Å; L205-Y242 WeakPolarHBondContact O-CE1 3.44Å; L205-Y242 VanDerWaalsContact O-CG 3.26Å; L205-A261 HydrophobicContact CB-CB 4Å; L205-A261 HydrophobicContact CD2-CB 4.28Å; L205-L262 HydrophobicContact CD2-CB 4.37Å; L205-L265 HydrophobicContact CD1-CD2 4.27Å; L205-L265 HydrophobicContact CD2-CB 4.04Å; L205-L265 HydrophobicContact CD2-CD2 3.83Å; L205-L265 HydrophobicContact CG-CD2 4.14Å
206	K	97.6	Very high	95.2	Very high	32 Å²	32	19.4 Å²	19.4	14%	0.139	11%	0.109	C	C	.	.			trans	-162.3	158.6	175.6	64.1	-166.5	-174.8	-150.4	0	109.7	D204 E208 N209 L210 T239 Y242	D204-K206 PolarHBondContact O-N 3.46Å; D204-K206 IonicContact OD1-NZ 3.01Å; D204-K206 IonicContact OD2-NZ 2.79Å; D204-K206 PolarHBondContact OD2-NZ 2.83Å; K206-E208 VanDerWaalsContact CB-OE2 3.32Å; K206-E208 WeakPolarHBondContact CB-OE2 3.42Å; K206-E208 HydrophobicContact CD-CB 4.46Å; K206-E208 HydrophobicContact CG-CB 4.17Å; K206-E208 VanDerWaalsContact CG-OE2 3.25Å; K206-E208 WeakPolarHBondContact CG-OE2 3.45Å; K206-E208 PolarHBondContact O-N 3.25Å; K206-E208 VanDerWaalsContact O-N 3.12Å; K206-N209 WeakPolarHBondContact CE-OD1 3.45Å; K206-N209 HydrophobicContact CG-CB 4.17Å; K206-N209 PolarHBondContact O-N 3.16Å; K206-N209 VanDerWaalsContact O-N 3.09Å; K206-L210 WeakPolarHBondContact O-CG 3.49Å; K206-T239 HydrophobicContact CD-CG2 4.09Å; K206-T239 VanDerWaalsContact CD-OG1 3.22Å; K206-T239 WeakPolarHBondContact CD-OG1 3.38Å; K206-T239 PolarHBondContact NZ-OG1 3.38Å; K206-Y242 HydrophobicContact CB-CD2 4.21Å; K206-Y242 HydrophobicContact CB-CE2 4.2Å
207	P	97	Very high	95.1	Very high	1 Å²	1	19 Å²	19	1%	0.006	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-59.3	-22.5	-176.6	-24.5	34.6	0	0	0	115.4	M166 F167 Y242 L265	M166-P207 HydrophobicContact CB-CB 4.37Å; M166-P207 WeakPolarHBondContact CB-O 3.47Å; M166-P207 HydrophobicContact CG-CB 4.34Å; M166-P207 PolarHBondContact N-O 3.41Å; M166-P207 HydrophobicContact SD-CB 4.5Å; F167-P207 HydrophobicContact CB-CB 3.83Å; F167-P207 HydrophobicContact CD2-CB 4.28Å; F167-P207 PolarHBondContact N-O 3.41Å; P207-Y242 WeakPolarHBondContact CD-OH 3.34Å; P207-L265 HydrophobicContact CG-CD1 3.79Å
208	E	94.7	Very high	95	Very high	62 Å²	62	17.7 Å²	17.7	29%	0.29	10%	0.098	S	C	.	.	G	3₁₀ helix	trans	-71.3	-38	176.8	-58.7	87	155.1	0	0	111.5	F167 K206 L210	F167-E208 HydrophobicContact CB-CG 3.93Å; F167-E208 VanDerWaalsContact CD2-CD 3.43Å; F167-E208 HydrophobicContact CD2-CG 3.82Å; F167-E208 VanDerWaalsContact CD2-OE1 3.31Å; F167-E208 WeakPolarHBondContact CD2-OE1 3.15Å; F167-E208 HydrophobicContact CE2-CG 4.46Å; F167-E208 WeakPolarHBondContact CE2-OE1 3.5Å; F167-E208 HydrophobicContact CG-CG 3.9Å; K206-E208 VanDerWaalsContact CB-OE2 3.32Å; K206-E208 WeakPolarHBondContact CB-OE2 3.42Å; K206-E208 HydrophobicContact CD-CB 4.46Å; K206-E208 HydrophobicContact CG-CB 4.17Å; K206-E208 VanDerWaalsContact CG-OE2 3.25Å; K206-E208 WeakPolarHBondContact CG-OE2 3.45Å; K206-E208 PolarHBondContact O-N 3.25Å; K206-E208 VanDerWaalsContact O-N 3.12Å; E208-L210 PolarHBondContact O-N 3.2Å
209	N	96.7	Very high	95	Very high	13 Å²	13	18.1 Å²	18.1	7%	0.07	10%	0.1	C	C	.	.	G	3₁₀ helix	trans	-84	10.7	178.9	-68.1	0.6	0	0	0	113	Y202 D204 K206 T221	Y202-N209 WeakPolarHBondContact OH-CB 3.22Å; Y202-N209 PolarHBondContact OH-ND2 3.27Å; D204-N209 PolarHBondContact O-ND2 3.08Å; D204-N209 PolarHBondContact OD2-ND2 2.94Å; K206-N209 WeakPolarHBondContact CE-OD1 3.45Å; K206-N209 HydrophobicContact CG-CB 4.17Å; K206-N209 PolarHBondContact O-N 3.16Å; K206-N209 VanDerWaalsContact O-N 3.09Å; N209-T221 PolarHBondContact O-N 3.41Å
210	L	97.3	Very high	95.1	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	101.5	-179.3	-64	-178.2	0	0	0	109.8	M166 I188 L205 K206 E208 I220 L265	M166-L210 HydrophobicContact CB-CB 3.99Å; M166-L210 WeakPolarHBondContact CB-O 3.32Å; M166-L210 HydrophobicContact CE-CB 4.37Å; M166-L210 HydrophobicContact CE-CD1 3.87Å; M166-L210 PolarHBondContact N-O 2.68Å; M166-L210 HydrophobicContact SD-CD1 3.92Å; I188-L210 HydrophobicContact CD1-CD1 4.12Å; I188-L210 HydrophobicContact CD1-CD2 3.57Å; L205-L210 HydrophobicContact CD1-CD1 4.25Å; L205-L210 HydrophobicContact CD1-CD2 4Å; L205-L210 HydrophobicContact CD1-CG 4.44Å; K206-L210 WeakPolarHBondContact O-CG 3.49Å; E208-L210 PolarHBondContact O-N 3.2Å; L210-I220 HydrophobicContact CD2-CB 4.23Å; L210-I220 HydrophobicContact CD2-CD1 4.42Å; L210-I220 HydrophobicContact CD2-CG1 3.67Å; L210-I220 HydrophobicContact CD2-CG2 4.3Å; L210-L265 HydrophobicContact CD1-CD1 4.01Å; L210-L265 HydrophobicContact CD1-CD2 3.58Å; L210-L265 HydrophobicContact CD1-CG 4.46Å
211	L	94.2	Very high	95	Very high	24 Å²	24	16.9 Å²	16.9	13%	0.126	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	147.1	176.7	-54.9	-179.6	0	0	0	110.4	I161 G164 E165 L218 K219 T221	I161-L211 HydrophobicContact CB-CB 4.01Å; I161-L211 HydrophobicContact CB-CD1 3.93Å; I161-L211 HydrophobicContact CG1-CD1 4.43Å; I161-L211 HydrophobicContact CG2-CB 3.55Å; I161-L211 HydrophobicContact CG2-CD1 4.43Å; G164-L211 WeakPolarHBondContact O-CA 3.4Å; E165-L211 HydrophobicContact CG-CD2 4.01Å; L211-L218 CarbonylContact O-C 3.6Å; L211-L218 WeakPolarHBondContact O-CA 3.41Å; L211-K219 PolarHBondContact N-O 2.83Å; L211-K219 PolarHBondContact O-N 3.33Å; L211-T221 HydrophobicContact CD1-CG2 4.01Å; L211-T221 HydrophobicContact CD2-CG2 4.47Å; L211-T221 HydrophobicContact CG-CG2 3.9Å
212	I	92.8	Very high	94.7	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	129	173.4	-50.4	-171.3	0	0	0	108.9	I161 G163 G164 H169 Y217 L218 L366 P368	I161-I212 VanDerWaalsContact CG2-O 3.26Å; I161-I212 WeakPolarHBondContact CG2-O 3.43Å; G163-I212 CarbonylContact C-O 3.57Å; G163-I212 WeakPolarHBondContact CA-O 2.88Å; G163-I212 PolarHBondContact N-O 3.47Å; G164-I212 PolarHBondContact O-N 3.33Å; H169-I212 VanDerWaalsContact CD2-CD1 3.49Å; H169-I212 WeakPolarHBondContact CD2-CD1 3.14Å; I212-Y217 CarbonylContact C-O 3.55Å; I212-Y217 WeakPolarHBondContact CA-O 3.23Å; I212-L218 HydrophobicContact CG1-CD2 4.04Å; I212-L366 HydrophobicContact CD1-CD2 4.15Å; I212-P368 HydrophobicContact CB-CG 4.45Å; I212-P368 HydrophobicContact CG2-CG 4.09Å
213	D	90.2	Very high	94.6	Very high	14 Å²	14	19.6 Å²	19.6	8%	0.075	11%	0.108	C	C	.	.	P	Polyproline II helix	trans	-81.8	169.6	175.8	73.3	28.7	0	0	0	112.7	I161 T215 G216 Y217 K346 P368	I161-D213 HydrophobicContact CG2-CB 4.15Å; D213-T215 PolarHBondContact O-N 3.07Å; D213-T215 VanDerWaalsContact O-N 3.1Å; D213-T215 VanDerWaalsContact OD1-C 3.32Å; D213-T215 VanDerWaalsContact OD1-CA 3.23Å; D213-T215 WeakPolarHBondContact OD1-CA 3.26Å; D213-T215 WeakPolarHBondContact OD1-CB 3.3Å; D213-T215 PolarHBondContact OD1-N 3.39Å; D213-T215 PolarHBondContact OD1-OG1 3.16Å; D213-T215 PolarHBondContact OD2-OG1 3.29Å; D213-G216 PolarHBondContact O-N 3.24Å; D213-G216 PolarHBondContact OD1-N 3.1Å; D213-G216 VanDerWaalsContact OD1-N 3.09Å; D213-Y217 PolarHBondContact N-O 2.63Å; D213-Y217 PolarHBondContact OD1-N 2.84Å; D213-Y217 WeakPolarHBondContact OD2-CB 3.32Å; D213-K346 IonicContact OD2-NZ 2.8Å; D213-K346 PolarHBondContact OD2-NZ 2.91Å; D213-P368 WeakPolarHBondContact O-CD 3.46Å
214	S	85	Confident	94.3	Very high	72 Å²	72	19.5 Å²	19.5	50%	0.503	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-14.8	179.2	54.8	0	0	0	0	113.7
215	T	87.7	Confident	94	Very high	65 Å²	65	22.2 Å²	22.2	40%	0.399	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-1	173.3	76.5	0	0	0	0	113	D213 Y217 P350 Y367	D213-T215 PolarHBondContact O-N 3.07Å; D213-T215 VanDerWaalsContact O-N 3.1Å; D213-T215 VanDerWaalsContact OD1-C 3.32Å; D213-T215 VanDerWaalsContact OD1-CA 3.23Å; D213-T215 WeakPolarHBondContact OD1-CA 3.26Å; D213-T215 WeakPolarHBondContact OD1-CB 3.3Å; D213-T215 PolarHBondContact OD1-N 3.39Å; D213-T215 PolarHBondContact OD1-OG1 3.16Å; D213-T215 PolarHBondContact OD2-OG1 3.29Å; T215-Y217 VanDerWaalsContact C-N 3.34Å; T215-P350 WeakPolarHBondContact O-CG 3.47Å; T215-Y367 WeakPolarHBondContact O-CE1 3.35Å
216	G	90.3	Very high	93.9	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.123	C	C	.	.	S	Bend	trans	83	4.1	-178.5	0	0	0	0	0	114.8	Y184 D213	Y184-G216 WeakPolarHBondContact CE1-O 3.26Å; Y184-G216 PolarHBondContact OH-O 2.8Å; D213-G216 PolarHBondContact O-N 3.24Å; D213-G216 PolarHBondContact OD1-N 3.1Å; D213-G216 VanDerWaalsContact OD1-N 3.09Å
217	Y	94.2	Very high	93.8	Very high	4 Å²	4	22.9 Å²	22.9	2%	0.016	13%	0.126	C	C	.	.			trans	-89.1	163.7	177	-90.8	-95.8	0	0	0	111.7	F140 F183 Q187 I212 D213 T215 I343 K346 I348 P350	F140-Y217 HydrophobicContact CD1-CD1 4.08Å; F140-Y217 AromaticContact CE1-CD1 3.48Å; F140-Y217 HydrophobicContact CE1-CD1 3.48Å; F140-Y217 VanDerWaalsContact CE1-CD1 3.48Å; F140-Y217 AromaticContact CE1-CE1 3.79Å; F140-Y217 HydrophobicContact CE1-CE1 3.79Å; F140-Y217 HydrophobicContact CZ-CD1 4.28Å; F140-Y217 HydrophobicContact CZ-CE1 4.19Å; F183-Y217 HydrophobicContact CE2-CE1 4.08Å; F183-Y217 HydrophobicContact CE2-CE2 4.2Å; F183-Y217 AromaticContact CE2-CZ 3.79Å; F183-Y217 HydrophobicContact CZ-CD1 4.12Å; F183-Y217 HydrophobicContact CZ-CD2 4.03Å; F183-Y217 AromaticContact CZ-CE1 3.92Å; F183-Y217 HydrophobicContact CZ-CE1 3.92Å; F183-Y217 AromaticContact CZ-CE2 3.81Å; F183-Y217 HydrophobicContact CZ-CE2 3.81Å; F183-Y217 HydrophobicContact CZ-CG 4.18Å; F183-Y217 AromaticContact CZ-CZ 3.75Å; Q187-Y217 HydrophobicContact CG-CD1 4.17Å; Q187-Y217 HydrophobicContact CG-CE1 4.31Å; I212-Y217 CarbonylContact C-O 3.55Å; I212-Y217 WeakPolarHBondContact CA-O 3.23Å; D213-Y217 PolarHBondContact N-O 2.63Å; D213-Y217 PolarHBondContact OD1-N 2.84Å; D213-Y217 WeakPolarHBondContact OD2-CB 3.32Å; T215-Y217 VanDerWaalsContact C-N 3.34Å; Y217-I343 WeakPolarHBondContact CE1-O 3.45Å; Y217-I343 PolarHBondContact OH-O 3.32Å; Y217-K346 HydrophobicContact CD1-CD 4.21Å; Y217-K346 HydrophobicContact CD1-CG 3.9Å; Y217-K346 HydrophobicContact CD2-CB 4.39Å; Y217-K346 HydrophobicContact CD2-CD 4.14Å; Y217-K346 HydrophobicContact CD2-CG 4.16Å; Y217-K346 HydrophobicContact CE1-CB 4.4Å; Y217-K346 HydrophobicContact CE1-CG 3.89Å; Y217-K346 HydrophobicContact CE2-CB 4.03Å; Y217-K346 HydrophobicContact CE2-CG 4.15Å; Y217-K346 HydrophobicContact CG-CD 3.93Å; Y217-K346 HydrophobicContact CG-CG 4.03Å; Y217-K346 WeakPolarHBondContact OH-CA 3.39Å; Y217-I348 WeakPolarHBondContact CE2-O 3.31Å; Y217-I348 PolarHBondContact OH-N 2.91Å; Y217-I348 PolarHBondContact OH-O 2.71Å; Y217-I348 VanDerWaalsContact OH-O 3.07Å; Y217-P350 HydrophobicContact CD2-CG 4.25Å; Y217-P350 HydrophobicContact CE2-CG 4.35Å
218	L	95.7	Very high	93.8	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	151.3	-178.9	-62.9	179.9	0	0	0	113.7	F140 M166 Y184 Q187 I188 L211 I212	F140-L218 VanDerWaalsContact CA-O 3.29Å; F140-L218 WeakPolarHBondContact CA-O 3.46Å; M166-L218 HydrophobicContact CE-CD1 3.71Å; M166-L218 HydrophobicContact CE-CD2 3.59Å; M166-L218 HydrophobicContact CE-CG 4.3Å; Y184-L218 HydrophobicContact CD1-CD1 3.59Å; Y184-L218 HydrophobicContact CD1-CD2 3.65Å; Y184-L218 HydrophobicContact CD1-CG 3.44Å; Y184-L218 VanDerWaalsContact CD1-CG 3.44Å; Y184-L218 HydrophobicContact CE1-CD1 4.46Å; Y184-L218 HydrophobicContact CE1-CD2 3.7Å; Y184-L218 HydrophobicContact CE1-CG 3.84Å; Y184-L218 HydrophobicContact CG-CD1 4.07Å; Y184-L218 HydrophobicContact CG-CD2 4.4Å; Y184-L218 HydrophobicContact CG-CG 4.34Å; Q187-L218 HydrophobicContact CB-CD1 4.41Å; I188-L218 HydrophobicContact CD1-CD1 3.88Å; I188-L218 HydrophobicContact CG1-CD1 4.28Å; L211-L218 CarbonylContact O-C 3.6Å; L211-L218 WeakPolarHBondContact O-CA 3.41Å; I212-L218 HydrophobicContact CG1-CD2 4.04Å
219	K	97.3	Very high	93.8	Very high	12 Å²	12	24 Å²	24	5%	0.052	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	109.3	165.1	-75.5	-80.2	-177.6	167.2	0	108.9	P139 F140 L141 E159 I161 L211 T221	P139-K219 WeakPolarHBondContact O-CE 3.47Å; F140-K219 CarbonylContact O-C 3.48Å; F140-K219 WeakPolarHBondContact O-CA 3.33Å; L141-K219 WeakPolarHBondContact O-CD 3.44Å; L141-K219 WeakPolarHBondContact O-CE 3.38Å; L141-K219 PolarHBondContact O-NZ 3.07Å; E159-K219 VanDerWaalsContact CD-NZ 3.29Å; E159-K219 WeakPolarHBondContact OE1-CE 3.37Å; E159-K219 IonicContact OE1-NZ 3.68Å; E159-K219 PolarHBondContact OE1-NZ 3.42Å; E159-K219 WeakPolarHBondContact OE2-CE 3.21Å; E159-K219 IonicContact OE2-NZ 2.68Å; E159-K219 PolarHBondContact OE2-NZ 3.32Å; E159-K219 VanDerWaalsContact OE2-NZ 3.16Å; I161-K219 HydrophobicContact CD1-CB 4.26Å; I161-K219 HydrophobicContact CD1-CD 4.28Å; I161-K219 HydrophobicContact CD1-CG 3.71Å; I161-K219 HydrophobicContact CG1-CB 3.9Å; I161-K219 HydrophobicContact CG1-CG 3.93Å; I161-K219 HydrophobicContact CG2-CB 4.32Å; L211-K219 PolarHBondContact N-O 2.83Å; L211-K219 PolarHBondContact O-N 3.33Å; K219-T221 PolarHBondContact O-N 3.41Å
220	I	98.4	Very high	93.5	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	126.9	171.1	-51.1	-173.8	0	0	0	108.1	F140 L141 V142 I188 A191 Y202 L210 F223	F140-I220 PolarHBondContact O-N 2.82Å; L141-I220 HydrophobicContact CD2-CB 3.79Å; L141-I220 HydrophobicContact CD2-CD1 3.77Å; L141-I220 HydrophobicContact CD2-CG1 3.95Å; V142-I220 WeakPolarHBondContact CB-O 3.44Å; V142-I220 WeakPolarHBondContact CG1-O 3.37Å; V142-I220 PolarHBondContact N-O 3.2Å; I188-I220 HydrophobicContact CD1-CD1 3.74Å; I188-I220 HydrophobicContact CD1-CG1 3.91Å; A191-I220 HydrophobicContact CB-CD1 3.71Å; Y202-I220 HydrophobicContact CD2-CG2 4.45Å; Y202-I220 HydrophobicContact CE1-CG2 3.89Å; Y202-I220 HydrophobicContact CE2-CG2 3.75Å; Y202-I220 VanDerWaalsContact CZ-CG2 3.45Å; L210-I220 HydrophobicContact CD2-CB 4.23Å; L210-I220 HydrophobicContact CD2-CD1 4.42Å; L210-I220 HydrophobicContact CD2-CG1 3.67Å; L210-I220 HydrophobicContact CD2-CG2 4.3Å; I220-F223 HydrophobicContact CG2-CE2 4.45Å
221	T	95.7	Very high	93.3	Very high	28 Å²	28	34 Å²	34	17%	0.172	19%	0.188	C	C	.	.			trans	-115.2	-173.1	177.7	-166.1	0	0	0	0	111.7	Y202 N209 L211 K219	Y202-T221 PolarHBondContact OH-O 3.33Å; N209-T221 PolarHBondContact O-N 3.41Å; L211-T221 HydrophobicContact CD1-CG2 4.01Å; L211-T221 HydrophobicContact CD2-CG2 4.47Å; L211-T221 HydrophobicContact CG-CG2 3.9Å; K219-T221 PolarHBondContact O-N 3.41Å
222	D	92.3	Very high	93.4	Very high	61 Å²	61	40.5 Å²	40.5	33%	0.326	21%	0.21	S	C	.	.			trans	42.1	95.9	-176.9	-160.3	3	0	0	0	115.5	K110 Y202 G224	K110-D222 IonicContact NZ-OD1 3.84Å; K110-D222 PolarHBondContact NZ-OD1 2.58Å; Y202-D222 WeakPolarHBondContact CE2-O 3.01Å; Y202-D222 PolarHBondContact OH-O 3.1Å; D222-G224 VanDerWaalsContact C-N 3.35Å; D222-G224 PolarHBondContact OD1-N 2.66Å; D222-G224 VanDerWaalsContact OD1-N 3.12Å
223	F	95.3	Very high	93.5	Very high	1 Å²	1	41.1 Å²	41.1	0%	0.004	21%	0.214	C	C	.	.			trans	-96.6	14.2	178.9	-83.5	-109	0	0	0	112.3	E129 I132 L133 I136 L141 L195 Y202 I220 F225 A226	E129-F223 HydrophobicContact CG-CB 4.05Å; E129-F223 PolarHBondContact OE1-N 3.48Å; I132-F223 HydrophobicContact CG2-CD1 3.68Å; I132-F223 HydrophobicContact CG2-CE1 4.17Å; L133-F223 HydrophobicContact CD1-CB 4.46Å; L133-F223 HydrophobicContact CD2-CB 4.02Å; L133-F223 HydrophobicContact CD2-CD2 3.62Å; L133-F223 HydrophobicContact CD2-CE2 4.25Å; L133-F223 HydrophobicContact CD2-CG 3.84Å; L133-F223 HydrophobicContact CG-CB 4.03Å; L133-F223 HydrophobicContact CG-CG 4.32Å; I136-F223 HydrophobicContact CD1-CD1 4.18Å; I136-F223 HydrophobicContact CD1-CE1 3.61Å; I136-F223 HydrophobicContact CD1-CE2 4.19Å; I136-F223 HydrophobicContact CD1-CZ 3.61Å; L141-F223 HydrophobicContact CD1-CZ 4.26Å; L141-F223 HydrophobicContact CD2-CZ 4.04Å; L141-F223 HydrophobicContact CG-CZ 4.49Å; L195-F223 HydrophobicContact CD1-CE1 4.22Å; L195-F223 HydrophobicContact CD1-CZ 4.47Å; L195-F223 HydrophobicContact CD2-CE1 4.13Å; Y202-F223 HydrophobicContact CD2-CD1 4.27Å; Y202-F223 HydrophobicContact CD2-CE1 4.09Å; Y202-F223 HydrophobicContact CD2-CZ 4.27Å; Y202-F223 HydrophobicContact CE2-CD1 4.45Å; Y202-F223 HydrophobicContact CE2-CD2 4.2Å; Y202-F223 HydrophobicContact CE2-CE1 4.41Å; Y202-F223 HydrophobicContact CE2-CE2 4.17Å; Y202-F223 HydrophobicContact CE2-CG 4.35Å; Y202-F223 HydrophobicContact CE2-CZ 4.27Å; I220-F223 HydrophobicContact CG2-CE2 4.45Å; F223-F225 PolarHBondContact O-N 3.04Å; F223-F225 VanDerWaalsContact O-N 3.13Å; F223-A226 HydrophobicContact CB-CB 4.11Å; F223-A226 HydrophobicContact CD1-CB 3.55Å; F223-A226 HydrophobicContact CE1-CB 4.39Å; F223-A226 HydrophobicContact CG-CB 4.21Å; F223-A226 WeakPolarHBondContact O-CB 3.29Å; F223-A226 PolarHBondContact O-N 3.48Å
224	G	91.3	Very high	93.8	Very high	11 Å²	11	49 Å²	49	11%	0.113	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-30.6	-178.8	0	0	0	0	0	115.2	D222	D222-G224 VanDerWaalsContact C-N 3.35Å; D222-G224 PolarHBondContact OD1-N 2.66Å; D222-G224 VanDerWaalsContact OD1-N 3.12Å
225	F	92.6	Very high	94.1	Very high	65 Å²	65	47.9 Å²	47.9	29%	0.285	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.3	-1	173.7	-62.4	-18.4	0	0	0	114.4	Y202 R203 D204 F223 C237	Y202-F225 CarbonylContact O-C 3.51Å; R203-F225 HydrophobicContact CB-CB 4.4Å; R203-F225 PolarHBondContact NE-O 3.35Å; R203-F225 PolarHBondContact NH2-O 3.27Å; D204-F225 HydrophobicContact CB-CB 4.4Å; D204-F225 HydrophobicContact CB-CD2 3.85Å; F223-F225 PolarHBondContact O-N 3.04Å; F223-F225 VanDerWaalsContact O-N 3.13Å; F225-C237 HydrophobicContact CD1-CB 4.24Å; F225-C237 HydrophobicContact CD2-CB 4.01Å; F225-C237 HydrophobicContact CE1-CB 4.45Å; F225-C237 HydrophobicContact CE2-CB 4.25Å; F225-C237 HydrophobicContact CG-CB 4.05Å; F225-C237 HydrophobicContact CZ-CB 4.47Å
226	A	96.4	Very high	94.4	Very high	2 Å²	2	50 Å²	50	2%	0.017	24%	0.242	C	C	.	.			trans	-64.5	145.7	175.5	0	0	0	0	0	110.6	N128 I132 I201 Y202 F223	N128-A226 PolarHBondContact ND2-O 2.94Å; I132-A226 HydrophobicContact CD1-CB 3.71Å; I132-A226 WeakPolarHBondContact CD1-O 3.49Å; I201-A226 CarbonylContact O-C 3.5Å; I201-A226 VanDerWaalsContact O-CA 3.24Å; I201-A226 WeakPolarHBondContact O-CA 3.38Å; Y202-A226 HydrophobicContact CD2-CB 4.37Å; Y202-A226 PolarHBondContact O-N 3.09Å; F223-A226 HydrophobicContact CB-CB 4.11Å; F223-A226 HydrophobicContact CD1-CB 3.55Å; F223-A226 HydrophobicContact CE1-CB 4.39Å; F223-A226 HydrophobicContact CG-CB 4.21Å; F223-A226 WeakPolarHBondContact O-CB 3.29Å; F223-A226 PolarHBondContact O-N 3.48Å
227	K	95.7	Very high	94.5	Very high	46 Å²	46	50.5 Å²	50.5	20%	0.2	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	142.7	177.5	-168.5	156.3	-177	160.4	0	112.6	E124 I201 V229	E124-K227 IonicContact OE1-NZ 2.82Å; E124-K227 PolarHBondContact OE1-NZ 3.46Å; I201-K227 PolarHBondContact N-O 3.36Å; I201-K227 PolarHBondContact O-N 2.77Å; K227-V229 HydrophobicContact CB-CG2 4.1Å; K227-V229 HydrophobicContact CG-CG2 3.93Å
228	R	95.9	Very high	94.4	Very high	69 Å²	69	51.2 Å²	51.2	26%	0.26	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	116.9	172.4	-157.4	175.2	-176.2	-169.1	-1.7	110.3	W68 L198 D199 L200	W68-R228 HydrophobicContact CH2-CB 4.34Å; W68-R228 HydrophobicContact CZ2-CB 4.47Å; L198-R228 PolarHBondContact O-NE 3.26Å; L198-R228 VanDerWaalsContact O-NE 3.14Å; D199-R228 HydrophobicContact CB-CG 3.99Å; D199-R228 CarbonylContact O-C 3.53Å; D199-R228 WeakPolarHBondContact O-CA 3.29Å; L200-R228 HydrophobicContact CD2-CB 3.79Å; L200-R228 HydrophobicContact CD2-CG 4.08Å
229	V	94.8	Very high	94.4	Very high	18 Å²	18	52.6 Å²	52.6	11%	0.109	26%	0.262	C	S	.	.			trans	-139.4	98.1	-169	-178.2	0	0	0	0	111.2	D199 I201 K227 G231 R232 T233	D199-V229 PolarHBondContact O-N 2.86Å; I201-V229 HydrophobicContact CD1-CB 3.72Å; I201-V229 HydrophobicContact CD1-CG1 4.05Å; I201-V229 HydrophobicContact CD1-CG2 4.02Å; I201-V229 HydrophobicContact CG1-CB 4.27Å; K227-V229 HydrophobicContact CB-CG2 4.1Å; K227-V229 HydrophobicContact CG-CG2 3.93Å; V229-G231 PolarHBondContact O-N 2.95Å; V229-G231 VanDerWaalsContact O-N 3.11Å; V229-R232 VanDerWaalsContact CG1-C 3.41Å; V229-R232 WeakPolarHBondContact CG1-O 3.35Å; V229-T233 HydrophobicContact CG1-CG2 4.44Å; V229-T233 HydrophobicContact CG2-CG2 4.12Å
230	K	90.4	Very high	94.3	Very high	169 Å²	169	53.7 Å²	53.7	74%	0.735	27%	0.271	S	S	*	.	S	Bend	trans	-77.2	91.6	166.4	-73.1	-177.4	174.7	-179.3	0	109.8	D199	D199-K230 HydrophobicContact CB-CG 4.09Å; D199-K230 WeakPolarHBondContact OD2-CE 3.45Å; D199-K230 IonicContact OD2-NZ 2.74Å
231	G	93.6	Very high	94.2	Very high	53 Å²	53	56.3 Å²	56.3	55%	0.546	28%	0.283	S	S	.	.	S	Bend	trans	112.2	-94.6	176.5	0	0	0	0	0	113.6	V229 N254	V229-G231 PolarHBondContact O-N 2.95Å; V229-G231 VanDerWaalsContact O-N 3.11Å; G231-N254 VanDerWaalsContact O-CB 3.23Å; G231-N254 WeakPolarHBondContact O-CB 3.49Å
232	R	95.6	Very high	94.4	Very high	160 Å²	160	55.7 Å²	55.7	60%	0.604	28%	0.277	S	S	*	.			trans	-135.8	154.4	-175	-73.7	179.3	175.4	-171.8	1.7	113.4	V229 W234 G252 Y253	V229-R232 VanDerWaalsContact CG1-C 3.41Å; V229-R232 WeakPolarHBondContact CG1-O 3.35Å; R232-W234 HydrophobicContact CB-CH2 4.13Å; R232-W234 HydrophobicContact CB-CZ2 4.36Å; R232-W234 WeakPolarHBondContact O-CZ3 3.37Å; R232-G252 VanDerWaalsContact CD-O 3.26Å; R232-G252 WeakPolarHBondContact CD-O 3.37Å; R232-G252 PolarHBondContact NE-O 2.92Å; R232-Y253 CarbonylContact C-O 3.58Å; R232-Y253 WeakPolarHBondContact CA-O 3.41Å
233	T	95.5	Very high	94.6	Very high	13 Å²	13	53 Å²	53	8%	0.08	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-136.2	171.3	169.1	-162.9	0	0	0	0	111.1	V229 G252 Y253	V229-T233 HydrophobicContact CG1-CG2 4.44Å; V229-T233 HydrophobicContact CG2-CG2 4.12Å; T233-G252 CarbonylContact O-C 3.58Å; T233-G252 WeakPolarHBondContact O-CA 3.4Å; T233-Y253 HydrophobicContact CG2-CD2 4.03Å; T233-Y253 HydrophobicContact CG2-CE1 4.19Å; T233-Y253 HydrophobicContact CG2-CE2 3.42Å; T233-Y253 VanDerWaalsContact CG2-CE2 3.42Å; T233-Y253 PolarHBondContact N-O 3.12Å; T233-Y253 WeakPolarHBondContact O-CD1 3.24Å; T233-Y253 PolarHBondContact O-N 2.81Å
234	W	95.8	Very high	94.8	Very high	179 Å²	179	53 Å²	53	68%	0.678	26%	0.263	S	S	*	.			trans	-133.2	-5.5	-167.9	-67	-98.2	0	0	0	115.1	R232 L236	R232-W234 HydrophobicContact CB-CH2 4.13Å; R232-W234 HydrophobicContact CB-CZ2 4.36Å; R232-W234 WeakPolarHBondContact O-CZ3 3.37Å; W234-L236 PolarHBondContact O-N 3.42Å
235	T	92.2	Very high	95.1	Very high	50 Å²	50	52.6 Å²	52.6	31%	0.307	26%	0.258	S	S	.	.			trans	-64.7	125.8	-178.4	-43.1	0	0	0	0	110.9	C237 Y253	T235-C237 HydrophobicContact CG2-CB 4.31Å; T235-C237 PolarHBondContact O-N 3.49Å; T235-Y253 VanDerWaalsContact O-CE1 3.3Å; T235-Y253 WeakPolarHBondContact O-CE1 3.41Å; T235-Y253 PolarHBondContact O-OH 2.65Å
236	L	93.1	Very high	95.3	Very high	109 Å²	109	49.7 Å²	49.7	57%	0.571	25%	0.246	S	C	*	.			trans	-76.4	110.3	165.8	-169	163.1	0	0	0	108.1	W234 I247	W234-L236 PolarHBondContact O-N 3.42Å; L236-I247 HydrophobicContact CG-CG2 4.25Å
237	C	92.6	Very high	95.4	Very high	11 Å²	11	50 Å²	50	7%	0.074	25%	0.247	C	C	.	.			trans	-156.7	163.7	179.7	59.3	0	0	0	0	109.6	R203 F225 T235 L243	R203-C237 PolarHBondContact NH1-SG 2.79Å; R203-C237 VanDerWaalsContact NH1-SG 3.41Å; F225-C237 HydrophobicContact CD1-CB 4.24Å; F225-C237 HydrophobicContact CD2-CB 4.01Å; F225-C237 HydrophobicContact CE1-CB 4.45Å; F225-C237 HydrophobicContact CE2-CB 4.25Å; F225-C237 HydrophobicContact CG-CB 4.05Å; F225-C237 HydrophobicContact CZ-CB 4.47Å; T235-C237 HydrophobicContact CG2-CB 4.31Å; T235-C237 PolarHBondContact O-N 3.49Å; C237-L243 WeakPolarHBondContact O-CD2 3.48Å
238	G	92.9	Very high	95.4	Very high	19 Å²	19	49.3 Å²	49.3	20%	0.196	25%	0.245	C	C	.	.	S	Bend	trans	104.2	169.9	-172.4	0	0	0	0	0	112.8	R203 D204	R203-G238 WeakPolarHBondContact O-CA 3.25Å; D204-G238 WeakPolarHBondContact OD1-CA 3.29Å
239	T	94.1	Very high	95.5	Very high	28 Å²	28	49.7 Å²	49.7	17%	0.172	25%	0.252	C	S	.	.			trans	-86.7	138	-173.4	-59.7	0	0	0	0	112.1	D204 K206 E241 Y242 L243	D204-T239 PolarHBondContact OD1-N 3.17Å; D204-T239 PolarHBondContact OD1-OG1 3.14Å; K206-T239 HydrophobicContact CD-CG2 4.09Å; K206-T239 VanDerWaalsContact CD-OG1 3.22Å; K206-T239 WeakPolarHBondContact CD-OG1 3.38Å; K206-T239 PolarHBondContact NZ-OG1 3.38Å; T239-E241 PolarHBondContact O-N 2.72Å; T239-Y242 WeakPolarHBondContact O-CA 3.47Å; T239-Y242 PolarHBondContact O-N 3.03Å; T239-L243 PolarHBondContact O-N 3.32Å; T239-L243 VanDerWaalsContact O-N 3.14Å
240	P	96.3	Very high	95.5	Very high	36 Å²	36	53.3 Å²	53.3	23%	0.234	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-43	-163.1	-30.9	37.7	0	0	0	116.8	Y242 Y285 I288	P240-Y242 PolarHBondContact O-N 2.89Å; P240-Y285 HydrophobicContact CB-CE1 3.9Å; P240-I288 WeakPolarHBondContact O-CD1 3.26Å
241	E	97.2	Very high	95.7	Very high	55 Å²	55	50.8 Å²	50.8	26%	0.257	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-24.3	180	-66	72.5	-165.5	0	0	112.6	T239 P274 I284	T239-E241 PolarHBondContact O-N 2.72Å; E241-P274 HydrophobicContact CB-CB 4.38Å; E241-P274 HydrophobicContact CB-CG 4.39Å; E241-P274 HydrophobicContact CG-CG 4.15Å; E241-I284 HydrophobicContact CG-CD1 4.21Å; E241-I284 VanDerWaalsContact OE1-CD1 3.24Å; E241-I284 WeakPolarHBondContact OE1-CD1 3.34Å
242	Y	98.3	Very high	95.7	Very high	15 Å²	15	48.9 Å²	48.9	6%	0.059	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102	-9.5	-174.4	-78.6	-95.8	0	0	0	113.5	L205 K206 P207 T239 P240 A244 A261 V264 L265 E268	L205-Y242 WeakPolarHBondContact O-CD1 3.44Å; L205-Y242 WeakPolarHBondContact O-CE1 3.44Å; L205-Y242 VanDerWaalsContact O-CG 3.26Å; K206-Y242 HydrophobicContact CB-CD2 4.21Å; K206-Y242 HydrophobicContact CB-CE2 4.2Å; P207-Y242 WeakPolarHBondContact CD-OH 3.34Å; T239-Y242 WeakPolarHBondContact O-CA 3.47Å; T239-Y242 PolarHBondContact O-N 3.03Å; P240-Y242 PolarHBondContact O-N 2.89Å; Y242-A244 PolarHBondContact O-N 3.47Å; Y242-A261 HydrophobicContact CD1-CB 4.2Å; Y242-V264 HydrophobicContact CD1-CB 3.6Å; Y242-V264 HydrophobicContact CD1-CG1 3.52Å; Y242-V264 HydrophobicContact CD1-CG2 4.46Å; Y242-V264 HydrophobicContact CD2-CG1 3.97Å; Y242-V264 HydrophobicContact CE1-CB 3.6Å; Y242-V264 HydrophobicContact CE1-CG1 3.41Å; Y242-V264 VanDerWaalsContact CE1-CG1 3.41Å; Y242-V264 HydrophobicContact CE2-CG1 3.83Å; Y242-V264 HydrophobicContact CG-CB 4.27Å; Y242-V264 HydrophobicContact CG-CG1 3.8Å; Y242-L265 HydrophobicContact CE1-CB 4Å; Y242-L265 HydrophobicContact CE1-CD1 4.5Å; Y242-E268 PolarHBondContact OH-OE2 2.63Å
243	L	97.9	Very high	95.8	Very high	4 Å²	4	41.4 Å²	41.4	2%	0.021	22%	0.219	C	C	.	.			trans	-59.9	135.6	177.9	-67.6	-173.6	0	0	0	111.9	C237 T239 I247 I248 W260 Y285	C237-L243 WeakPolarHBondContact O-CD2 3.48Å; T239-L243 PolarHBondContact O-N 3.32Å; T239-L243 VanDerWaalsContact O-N 3.14Å; L243-I247 HydrophobicContact CD2-CD1 4.3Å; L243-I247 HydrophobicContact CD2-CG2 4.38Å; L243-I248 HydrophobicContact CB-CD1 3.91Å; L243-I248 HydrophobicContact CB-CG1 3.98Å; L243-I248 HydrophobicContact CD1-CG1 4.04Å; L243-W260 PolarHBondContact O-NE1 3.19Å; L243-Y285 HydrophobicContact CD1-CD1 4.5Å; L243-Y285 HydrophobicContact CD1-CE1 3.76Å
244	A	98	Very high	95.8	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.008	23%	0.225	C	C	.	.			trans	-78.7	148.7	172.7	0	0	0	0	0	111.5	Y242 E246 I247 I248 V257 W260	Y242-A244 PolarHBondContact O-N 3.47Å; A244-E246 HydrophobicContact CB-CG 4.41Å; A244-E246 VanDerWaalsContact CB-OE1 3.31Å; A244-E246 WeakPolarHBondContact CB-OE1 3.04Å; A244-E246 PolarHBondContact O-N 2.84Å; A244-E246 VanDerWaalsContact O-N 3.11Å; A244-I247 HydrophobicContact CB-CD1 4.38Å; A244-I247 HydrophobicContact CB-CG1 4.33Å; A244-I247 WeakPolarHBondContact O-CB 3.35Å; A244-I247 PolarHBondContact O-N 3.38Å; A244-I248 PolarHBondContact O-N 2.88Å; A244-V257 HydrophobicContact CB-CB 4.06Å; A244-V257 HydrophobicContact CB-CG1 3.91Å; A244-W260 HydrophobicContact CB-CB 3.94Å; A244-W260 HydrophobicContact CB-CD2 4.37Å; A244-W260 HydrophobicContact CB-CG 3.78Å
245	P	98.1	Very high	95.9	Very high	2 Å²	2	38 Å²	38	1%	0.013	21%	0.209	C	C	.	.	H	α-helix	trans	-53.5	-35.8	-177.2	-26.8	32.7	0	0	0	114.2	I248 L249 W260 I288 V289 V313	P245-I248 PolarHBondContact O-N 3.47Å; P245-L249 WeakPolarHBondContact O-CB 3.39Å; P245-L249 WeakPolarHBondContact O-CG 3.39Å; P245-L249 PolarHBondContact O-N 2.93Å; P245-W260 HydrophobicContact CG-CE3 4.19Å; P245-W260 HydrophobicContact CG-CH2 3.59Å; P245-W260 HydrophobicContact CG-CZ2 3.98Å; P245-W260 HydrophobicContact CG-CZ3 3.69Å; P245-I288 HydrophobicContact CB-CG2 4.3Å; P245-I288 HydrophobicContact CG-CG2 3.73Å; P245-V289 HydrophobicContact CB-CG2 4.45Å; P245-V313 HydrophobicContact CB-CG1 3.98Å; P245-V313 HydrophobicContact CG-CB 4.37Å; P245-V313 HydrophobicContact CG-CG1 4.08Å; P245-V313 HydrophobicContact CG-CG2 4.08Å
246	E	97.7	Very high	96.2	Very high	5 Å²	5	35.6 Å²	35.6	2%	0.023	20%	0.195	C	C	.	.	H	α-helix	trans	-68.3	-28.8	178	60.3	-84.7	-166.4	0	0	114.2	A244 S250 K251 V257 L315 R318	A244-E246 HydrophobicContact CB-CG 4.41Å; A244-E246 VanDerWaalsContact CB-OE1 3.31Å; A244-E246 WeakPolarHBondContact CB-OE1 3.04Å; A244-E246 PolarHBondContact O-N 2.84Å; A244-E246 VanDerWaalsContact O-N 3.11Å; E246-S250 PolarHBondContact O-N 3.31Å; E246-K251 HydrophobicContact CB-CB 4.31Å; E246-K251 WeakPolarHBondContact O-CB 3.3Å; E246-K251 PolarHBondContact O-N 2.92Å; E246-V257 HydrophobicContact CG-CG1 4.18Å; E246-V257 WeakPolarHBondContact OE1-CG1 3.37Å; E246-L315 HydrophobicContact CB-CD1 4.02Å; E246-L315 HydrophobicContact CG-CD1 4.07Å; E246-L315 HydrophobicContact CG-CD2 4.33Å; E246-L315 HydrophobicContact CG-CG 4.49Å; E246-L315 WeakPolarHBondContact OE1-CD2 3.04Å; E246-R318 IonicContact OE1-CZ 3.03Å; E246-R318 IonicContact OE1-NH1 2.81Å; E246-R318 PolarHBondContact OE1-NH1 2.86Å; E246-R318 IonicContact OE1-NH2 2.63Å; E246-R318 PolarHBondContact OE1-NH2 3.47Å; E246-R318 IonicContact OE2-CZ 3.78Å; E246-R318 IonicContact OE2-NH1 2.95Å; E246-R318 IonicContact OE2-NH2 2.92Å; E246-R318 PolarHBondContact OE2-NH2 2.84Å
247	I	97.4	Very high	96.4	Very high	7 Å²	7	30.6 Å²	30.6	4%	0.036	17%	0.169	C	C	.	.	H	α-helix	trans	-71	-48	173.6	-52.5	178.4	0	0	0	109.3	L236 L243 A244 L249 S250 Y253 V257	L236-I247 HydrophobicContact CG-CG2 4.25Å; L243-I247 HydrophobicContact CD2-CD1 4.3Å; L243-I247 HydrophobicContact CD2-CG2 4.38Å; A244-I247 HydrophobicContact CB-CD1 4.38Å; A244-I247 HydrophobicContact CB-CG1 4.33Å; A244-I247 WeakPolarHBondContact O-CB 3.35Å; A244-I247 PolarHBondContact O-N 3.38Å; I247-L249 VanDerWaalsContact C-N 3.29Å; I247-L249 PolarHBondContact O-N 2.63Å; I247-S250 WeakPolarHBondContact O-CA 3.22Å; I247-S250 PolarHBondContact O-N 3.07Å; I247-Y253 HydrophobicContact CB-CD1 4.48Å; I247-Y253 HydrophobicContact CB-CE1 4.49Å; I247-Y253 HydrophobicContact CG1-CD1 3.85Å; I247-Y253 HydrophobicContact CG1-CD2 4.39Å; I247-Y253 HydrophobicContact CG1-CE1 3.95Å; I247-Y253 HydrophobicContact CG1-CE2 4.49Å; I247-Y253 HydrophobicContact CG1-CG 4.07Å; I247-Y253 HydrophobicContact CG2-CE1 4.21Å; I247-V257 HydrophobicContact CD1-CB 4.04Å; I247-V257 HydrophobicContact CD1-CG1 3.82Å; I247-V257 HydrophobicContact CG1-CG1 3.81Å
248	I	97	Very high	96.7	Very high	33 Å²	33	30.1 Å²	30.1	17%	0.169	17%	0.166	C	C	.	.	H	α-helix	trans	-59.3	-41.4	178.2	-69.7	159	0	0	0	111.1	L243 A244 P245 S250 Y285 I288 V289	L243-I248 HydrophobicContact CB-CD1 3.91Å; L243-I248 HydrophobicContact CB-CG1 3.98Å; L243-I248 HydrophobicContact CD1-CG1 4.04Å; A244-I248 PolarHBondContact O-N 2.88Å; P245-I248 PolarHBondContact O-N 3.47Å; I248-S250 PolarHBondContact O-N 2.81Å; I248-Y285 HydrophobicContact CD1-CD1 3.83Å; I248-Y285 HydrophobicContact CD1-CG 4.26Å; I248-Y285 HydrophobicContact CG1-CD1 3.98Å; I248-Y285 HydrophobicContact CG1-CG 4.22Å; I248-Y285 HydrophobicContact CG2-CG 4.24Å; I248-I288 HydrophobicContact CD1-CB 3.88Å; I248-I288 HydrophobicContact CD1-CD1 3.87Å; I248-I288 HydrophobicContact CD1-CG1 4.48Å; I248-I288 HydrophobicContact CD1-CG2 3.45Å; I248-I288 VanDerWaalsContact CD1-CG2 3.45Å; I248-V289 HydrophobicContact CB-CG2 4.29Å; I248-V289 HydrophobicContact CG2-CG2 3.74Å
249	L	96.2	Very high	97	Very high	77 Å²	77	29.4 Å²	29.4	40%	0.403	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	10.2	176.4	-65.4	172.5	0	0	0	113.5	P245 I247 K251 V289	P245-L249 WeakPolarHBondContact O-CB 3.39Å; P245-L249 WeakPolarHBondContact O-CG 3.39Å; P245-L249 PolarHBondContact O-N 2.93Å; I247-L249 VanDerWaalsContact C-N 3.29Å; I247-L249 PolarHBondContact O-N 2.63Å; L249-K251 HydrophobicContact CB-CD 4.15Å; L249-K251 HydrophobicContact CB-CG 4.14Å; L249-K251 PolarHBondContact O-N 3.13Å; L249-K251 VanDerWaalsContact O-N 3.13Å; L249-V289 HydrophobicContact CD1-CG1 4.28Å; L249-V289 HydrophobicContact CD1-CG2 4.49Å; L249-V289 HydrophobicContact CD2-CG1 4.23Å; L249-V289 HydrophobicContact CD2-CG2 4.28Å; L249-V289 HydrophobicContact CG-CG1 4.49Å; L249-V289 HydrophobicContact CG-CG2 4.12Å
250	S	94.9	Very high	97.2	Very high	93 Å²	93	28.1 Å²	28.1	65%	0.65	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.6	32.7	178.5	-60.3	0	0	0	0	114.2	E246 I247 I248	E246-S250 PolarHBondContact O-N 3.31Å; I247-S250 WeakPolarHBondContact O-CA 3.22Å; I247-S250 PolarHBondContact O-N 3.07Å; I248-S250 PolarHBondContact O-N 2.81Å
251	K	95.1	Very high	97.3	Very high	117 Å²	117	26.7 Å²	26.7	51%	0.509	14%	0.14	S	C	.	.			trans	-88	146.5	178.1	-63.8	174.9	-178.9	172	0	109.6	E246 L249 Y253	E246-K251 HydrophobicContact CB-CB 4.31Å; E246-K251 WeakPolarHBondContact O-CB 3.3Å; E246-K251 PolarHBondContact O-N 2.92Å; L249-K251 HydrophobicContact CB-CD 4.15Å; L249-K251 HydrophobicContact CB-CG 4.14Å; L249-K251 PolarHBondContact O-N 3.13Å; L249-K251 VanDerWaalsContact O-N 3.13Å; K251-Y253 PolarHBondContact O-N 3.19Å; K251-Y253 VanDerWaalsContact O-N 3.07Å
252	G	94.6	Very high	97.4	Very high	12 Å²	12	24 Å²	24	12%	0.124	13%	0.128	C	C	.	.			trans	-61.1	113	170.6	0	0	0	0	0	110.4	R232 T233	R232-G252 VanDerWaalsContact CD-O 3.26Å; R232-G252 WeakPolarHBondContact CD-O 3.37Å; R232-G252 PolarHBondContact NE-O 2.92Å; T233-G252 CarbonylContact O-C 3.58Å; T233-G252 WeakPolarHBondContact O-CA 3.4Å
253	Y	97	Very high	97.5	Very high	3 Å²	3	23.3 Å²	23.3	1%	0.012	13%	0.125	C	C	.	.	B	Isolated β-bridge	trans	-111.9	164.1	-170.6	65.2	-98	0	0	0	111.9	R203 R232 T233 T235 I247 K251 V257	R203-Y253 WeakPolarHBondContact CD-OH 3.36Å; R203-Y253 PolarHBondContact NH1-OH 3.18Å; R232-Y253 CarbonylContact C-O 3.58Å; R232-Y253 WeakPolarHBondContact CA-O 3.41Å; T233-Y253 HydrophobicContact CG2-CD2 4.03Å; T233-Y253 HydrophobicContact CG2-CE1 4.19Å; T233-Y253 HydrophobicContact CG2-CE2 3.42Å; T233-Y253 VanDerWaalsContact CG2-CE2 3.42Å; T233-Y253 PolarHBondContact N-O 3.12Å; T233-Y253 WeakPolarHBondContact O-CD1 3.24Å; T233-Y253 PolarHBondContact O-N 2.81Å; T235-Y253 VanDerWaalsContact O-CE1 3.3Å; T235-Y253 WeakPolarHBondContact O-CE1 3.41Å; T235-Y253 PolarHBondContact O-OH 2.65Å; I247-Y253 HydrophobicContact CB-CD1 4.48Å; I247-Y253 HydrophobicContact CB-CE1 4.49Å; I247-Y253 HydrophobicContact CG1-CD1 3.85Å; I247-Y253 HydrophobicContact CG1-CD2 4.39Å; I247-Y253 HydrophobicContact CG1-CE1 3.95Å; I247-Y253 HydrophobicContact CG1-CE2 4.49Å; I247-Y253 HydrophobicContact CG1-CG 4.07Å; I247-Y253 HydrophobicContact CG2-CE1 4.21Å; K251-Y253 PolarHBondContact O-N 3.19Å; K251-Y253 VanDerWaalsContact O-N 3.07Å; Y253-V257 HydrophobicContact CD2-CB 4.44Å; Y253-V257 HydrophobicContact CD2-CG1 3.48Å; Y253-V257 VanDerWaalsContact CD2-CG1 3.48Å; Y253-V257 HydrophobicContact CD2-CG2 4.08Å; Y253-V257 HydrophobicContact CE2-CG1 4.21Å; Y253-V257 HydrophobicContact CE2-CG2 4.19Å; Y253-V257 HydrophobicContact CG-CG1 3.88Å
254	N	95.9	Very high	97.5	Very high	38 Å²	38	23.1 Å²	23.1	20%	0.203	12%	0.124	C	C	.	.			trans	-129.2	-165.3	-178.8	75.4	-17.8	0	0	0	110.6	G231 A256 V257 N321	G231-N254 VanDerWaalsContact O-CB 3.23Å; G231-N254 WeakPolarHBondContact O-CB 3.49Å; N254-A256 PolarHBondContact O-N 2.8Å; N254-A256 WeakPolarHBondContact OD1-CB 3.25Å; N254-A256 PolarHBondContact OD1-N 3.28Å; N254-A256 VanDerWaalsContact OD1-N 3.08Å; N254-V257 PolarHBondContact O-N 3.42Å; N254-N321 PolarHBondContact ND2-OD1 2.83Å
255	K	97.6	Very high	97.5	Very high	82 Å²	82	23.1 Å²	23.1	36%	0.357	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-8	178.2	68.7	-177.7	-173.8	172.7	0	116.8	H196 I201 V257 D258	H196-K255 HydrophobicContact CB-CD 3.84Å; H196-K255 PolarHBondContact CE1-O 3.3Å; H196-K255 VanDerWaalsContact CE1-O 3.31Å; H196-K255 PolarHBondContact O-NZ 3.34Å; I201-K255 HydrophobicContact CD1-CB 4.42Å; I201-K255 HydrophobicContact CG1-CB 4.1Å; K255-V257 PolarHBondContact O-N 3.39Å; K255-D258 PolarHBondContact O-N 3.06Å
256	A	97.9	Very high	97.6	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-64	-18.4	172.8	0	0	0	0	0	114.2	N254 W259 W260 L315 R318 N321	N254-A256 PolarHBondContact O-N 2.8Å; N254-A256 WeakPolarHBondContact OD1-CB 3.25Å; N254-A256 PolarHBondContact OD1-N 3.28Å; N254-A256 VanDerWaalsContact OD1-N 3.08Å; A256-W259 PolarHBondContact O-N 2.96Å; A256-W260 PolarHBondContact O-N 2.8Å; A256-W260 VanDerWaalsContact O-N 3.17Å; A256-L315 HydrophobicContact CB-CD2 3.4Å; A256-L315 VanDerWaalsContact CB-CD2 3.4Å; A256-R318 PolarHBondContact O-NH1 3.43Å; A256-N321 HydrophobicContact CB-CB 3.82Å
257	V	98.3	Very high	97.6	Very high	5 Å²	5	23.1 Å²	23.1	3%	0.03	12%	0.123	C	C	.	.	H	α-helix	trans	-67.6	-38.2	177.6	-57.8	0	0	0	0	112.2	I201 R203 A244 E246 I247 Y253 N254 K255 W259 W260 A261	I201-V257 HydrophobicContact CG2-CG2 3.77Å; R203-V257 HydrophobicContact CG-CG2 4.26Å; A244-V257 HydrophobicContact CB-CB 4.06Å; A244-V257 HydrophobicContact CB-CG1 3.91Å; E246-V257 HydrophobicContact CG-CG1 4.18Å; E246-V257 WeakPolarHBondContact OE1-CG1 3.37Å; I247-V257 HydrophobicContact CD1-CB 4.04Å; I247-V257 HydrophobicContact CD1-CG1 3.82Å; I247-V257 HydrophobicContact CG1-CG1 3.81Å; Y253-V257 HydrophobicContact CD2-CB 4.44Å; Y253-V257 HydrophobicContact CD2-CG1 3.48Å; Y253-V257 VanDerWaalsContact CD2-CG1 3.48Å; Y253-V257 HydrophobicContact CD2-CG2 4.08Å; Y253-V257 HydrophobicContact CE2-CG1 4.21Å; Y253-V257 HydrophobicContact CE2-CG2 4.19Å; Y253-V257 HydrophobicContact CG-CG1 3.88Å; N254-V257 PolarHBondContact O-N 3.42Å; K255-V257 PolarHBondContact O-N 3.39Å; V257-W259 VanDerWaalsContact C-N 3.33Å; V257-W259 PolarHBondContact O-N 3.41Å; V257-W260 WeakPolarHBondContact O-CB 3.38Å; V257-W260 PolarHBondContact O-N 3.28Å; V257-A261 PolarHBondContact O-N 3.48Å
258	D	98.7	Very high	97.7	Very high	1 Å²	1	23 Å²	23	1%	0.005	12%	0.123	C	C	.	.	H	α-helix	trans	-65.7	-38.8	177.6	-67.7	-17.1	0	0	0	110.6	F192 H196 I201 Y202 R203 K255 W260 A261 L262	F192-D258 HydrophobicContact CD2-CB 3.95Å; F192-D258 HydrophobicContact CE1-CB 4.3Å; F192-D258 HydrophobicContact CE2-CB 3.7Å; F192-D258 VanDerWaalsContact CE2-O 3.29Å; F192-D258 WeakPolarHBondContact CE2-O 3.48Å; F192-D258 HydrophobicContact CG-CB 4.35Å; F192-D258 HydrophobicContact CZ-CB 3.87Å; H196-D258 IonicContact CD2-OD2 2.69Å; H196-D258 IonicContact CE1-OD2 3.87Å; H196-D258 IonicContact NE2-OD2 3.04Å; H196-D258 PolarHBondContact NE2-OD2 3.01Å; I201-D258 WeakPolarHBondContact CA-OD2 3.48Å; I201-D258 VanDerWaalsContact CG2-OD2 3.25Å; I201-D258 WeakPolarHBondContact CG2-OD2 3.38Å; Y202-D258 PolarHBondContact N-OD1 3.24Å; Y202-D258 PolarHBondContact N-OD2 3.3Å; R203-D258 PolarHBondContact N-OD1 2.69Å; K255-D258 PolarHBondContact O-N 3.06Å; D258-W260 VanDerWaalsContact C-N 3.34Å; D258-W260 PolarHBondContact O-N 3.28Å; D258-A261 PolarHBondContact O-N 3.31Å; D258-L262 PolarHBondContact O-N 3.26Å
259	W	98.8	Very high	97.7	Very high	4 Å²	4	21.4 Å²	21.4	2%	0.015	12%	0.115	C	C	.	.	H	α-helix	trans	-68.9	-29	175.6	-59.6	121	0	0	0	113.5	V189 F192 H196 A256 V257 L262 G263 L310 G320 V326 I329	V189-W259 HydrophobicContact CG1-CZ3 4.49Å; V189-W259 HydrophobicContact CG2-CZ3 4.24Å; F192-W259 HydrophobicContact CB-CH2 3.47Å; F192-W259 VanDerWaalsContact CB-CH2 3.47Å; F192-W259 HydrophobicContact CB-CZ2 3.9Å; F192-W259 HydrophobicContact CB-CZ3 3.87Å; F192-W259 HydrophobicContact CD2-CE3 4.04Å; F192-W259 HydrophobicContact CD2-CH2 4.36Å; F192-W259 AromaticContact CD2-CZ3 3.91Å; F192-W259 HydrophobicContact CD2-CZ3 3.91Å; F192-W259 HydrophobicContact CG-CH2 4.46Å; F192-W259 HydrophobicContact CG-CZ3 4.43Å; H196-W259 AromaticContact CE1-CD1 3.93Å; H196-W259 AromaticContact CE1-CE2 3.55Å; H196-W259 AromaticContact CE1-CZ2 3.83Å; H196-W259 AromaticContact CE1-NE1 3.28Å; H196-W259 PolarHBondContact CE1-NE1 2.91Å; H196-W259 VanDerWaalsContact CE1-NE1 3.28Å; H196-W259 AromaticContact ND1-CE2 3.53Å; H196-W259 AromaticContact ND1-CZ2 3.55Å; H196-W259 AromaticContact ND1-NE1 3.19Å; H196-W259 PolarHBondContact ND1-NE1 3.13Å; H196-W259 VanDerWaalsContact ND1-NE1 3.19Å; A256-W259 PolarHBondContact O-N 2.96Å; V257-W259 VanDerWaalsContact C-N 3.33Å; V257-W259 PolarHBondContact O-N 3.41Å; W259-L262 HydrophobicContact CE3-CD2 3.74Å; W259-L262 HydrophobicContact CZ3-CD2 3.88Å; W259-G263 PolarHBondContact O-N 3.24Å; W259-L310 HydrophobicContact CB-CD2 4.47Å; W259-G320 PolarHBondContact NE1-O 2.89Å; W259-V326 HydrophobicContact CH2-CB 4.21Å; W259-V326 HydrophobicContact CH2-CG2 3.52Å; W259-V326 HydrophobicContact CZ2-CB 4.12Å; W259-V326 HydrophobicContact CZ2-CG2 3.94Å; W259-V326 HydrophobicContact CZ3-CG2 4.29Å; W259-I329 HydrophobicContact CD2-CD1 3.7Å; W259-I329 HydrophobicContact CE3-CD1 3.27Å; W259-I329 HydrophobicContact CG-CD1 4.35Å; W259-I329 HydrophobicContact CH2-CD1 4.3Å; W259-I329 HydrophobicContact CZ3-CD1 3.61Å
260	W	98.8	Very high	97.8	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-67.3	-49	167.8	171	-83.3	0	0	0	110.9	L243 A244 P245 A256 V257 D258 L262 G263 V264 F276 I288 L311 V313	L243-W260 PolarHBondContact O-NE1 3.19Å; A244-W260 HydrophobicContact CB-CB 3.94Å; A244-W260 HydrophobicContact CB-CD2 4.37Å; A244-W260 HydrophobicContact CB-CG 3.78Å; P245-W260 HydrophobicContact CG-CE3 4.19Å; P245-W260 HydrophobicContact CG-CH2 3.59Å; P245-W260 HydrophobicContact CG-CZ2 3.98Å; P245-W260 HydrophobicContact CG-CZ3 3.69Å; A256-W260 PolarHBondContact O-N 2.8Å; A256-W260 VanDerWaalsContact O-N 3.17Å; V257-W260 WeakPolarHBondContact O-CB 3.38Å; V257-W260 PolarHBondContact O-N 3.28Å; D258-W260 VanDerWaalsContact C-N 3.34Å; D258-W260 PolarHBondContact O-N 3.28Å; W260-L262 VanDerWaalsContact C-N 3.27Å; W260-L262 PolarHBondContact O-N 2.94Å; W260-G263 WeakPolarHBondContact O-CA 3.34Å; W260-G263 PolarHBondContact O-N 2.87Å; W260-V264 PolarHBondContact O-N 2.88Å; W260-F276 AromaticContact CH2-CE2 3.89Å; W260-F276 HydrophobicContact CH2-CE2 3.89Å; W260-F276 AromaticContact CH2-CZ 3.92Å; W260-F276 HydrophobicContact CH2-CZ 3.92Å; W260-F276 HydrophobicContact CZ2-CD2 4.23Å; W260-F276 AromaticContact CZ2-CE2 3.39Å; W260-F276 HydrophobicContact CZ2-CE2 3.39Å; W260-F276 AromaticContact CZ2-CZ 3.91Å; W260-F276 HydrophobicContact CZ2-CZ 3.91Å; W260-I288 HydrophobicContact CH2-CG2 4.31Å; W260-I288 HydrophobicContact CZ2-CG2 3.71Å; W260-L311 HydrophobicContact CD2-CD2 4.08Å; W260-L311 HydrophobicContact CE3-CD2 4.33Å; W260-L311 HydrophobicContact CH2-CB 4.47Å; W260-L311 HydrophobicContact CZ2-CD2 4.25Å; W260-L311 HydrophobicContact CZ3-CB 4.24Å; W260-L311 WeakPolarHBondContact CZ3-O 2.86Å; W260-V313 HydrophobicContact CH2-CG2 4.33Å; W260-V313 HydrophobicContact CZ3-CG2 4.23Å
261	A	98.8	Very high	98	Very high	6 Å²	6	14 Å²	14	5%	0.05	7%	0.07	C	C	.	.	H	α-helix	trans	-60.4	-35.6	179.3	0	0	0	0	0	112.2	L205 Y242 V257 D258 G263 V264 L265	L205-A261 HydrophobicContact CB-CB 4Å; L205-A261 HydrophobicContact CD2-CB 4.28Å; Y242-A261 HydrophobicContact CD1-CB 4.2Å; V257-A261 PolarHBondContact O-N 3.48Å; D258-A261 PolarHBondContact O-N 3.31Å; A261-G263 VanDerWaalsContact C-N 3.32Å; A261-G263 PolarHBondContact O-N 3.16Å; A261-V264 WeakPolarHBondContact O-CB 3.19Å; A261-V264 PolarHBondContact O-N 3.4Å; A261-V264 VanDerWaalsContact O-N 3.16Å; A261-L265 PolarHBondContact O-N 3.31Å
262	L	98.9	Very high	98.1	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-59	-41.3	169.2	177.7	65.8	0	0	0	112	A185 I188 V189 F192 L205 D258 W259 W260 V264 L265 I266 L310	A185-L262 HydrophobicContact CB-CD1 4.49Å; I188-L262 HydrophobicContact CB-CD1 4Å; I188-L262 HydrophobicContact CG2-CD1 3.85Å; V189-L262 HydrophobicContact CG2-CD2 3.53Å; F192-L262 HydrophobicContact CE2-CB 4.22Å; L205-L262 HydrophobicContact CD2-CB 4.37Å; D258-L262 PolarHBondContact O-N 3.26Å; W259-L262 HydrophobicContact CE3-CD2 3.74Å; W259-L262 HydrophobicContact CZ3-CD2 3.88Å; W260-L262 VanDerWaalsContact C-N 3.27Å; W260-L262 PolarHBondContact O-N 2.94Å; L262-V264 VanDerWaalsContact C-N 3.33Å; L262-V264 PolarHBondContact O-N 2.88Å; L262-L265 PolarHBondContact O-N 2.83Å; L262-I266 HydrophobicContact CD1-CD1 3.85Å; L262-I266 HydrophobicContact CD1-CG1 4.04Å; L262-I266 HydrophobicContact CD2-CD1 4.33Å; L262-I266 HydrophobicContact CG-CD1 3.75Å; L262-I266 HydrophobicContact CG-CG1 4.32Å; L262-I266 WeakPolarHBondContact O-CB 3.31Å; L262-I266 VanDerWaalsContact O-CG1 3.25Å; L262-I266 WeakPolarHBondContact O-CG1 3.34Å; L262-I266 PolarHBondContact O-N 2.75Å; L262-L310 HydrophobicContact CD2-CD1 4.32Å; L262-L310 HydrophobicContact CG-CD1 4.3Å
263	G	98.9	Very high	98.2	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-62	-38.9	173.7	0	0	0	0	0	112.8	W259 W260 A261 Y267 L307	W259-G263 PolarHBondContact O-N 3.24Å; W260-G263 WeakPolarHBondContact O-CA 3.34Å; W260-G263 PolarHBondContact O-N 2.87Å; A261-G263 VanDerWaalsContact C-N 3.32Å; A261-G263 PolarHBondContact O-N 3.16Å; G263-Y267 WeakPolarHBondContact O-CB 3.32Å; G263-Y267 PolarHBondContact O-N 2.76Å; G263-Y267 VanDerWaalsContact O-N 3.14Å; G263-L307 WeakPolarHBondContact O-CD2 3.23Å
264	V	98.9	Very high	98.3	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-65	-46.9	175	-177	0	0	0	0	109.9	Y242 W260 A261 L262 Y267 E268 P274 P275 L311	Y242-V264 HydrophobicContact CD1-CB 3.6Å; Y242-V264 HydrophobicContact CD1-CG1 3.52Å; Y242-V264 HydrophobicContact CD1-CG2 4.46Å; Y242-V264 HydrophobicContact CD2-CG1 3.97Å; Y242-V264 HydrophobicContact CE1-CB 3.6Å; Y242-V264 HydrophobicContact CE1-CG1 3.41Å; Y242-V264 VanDerWaalsContact CE1-CG1 3.41Å; Y242-V264 HydrophobicContact CE2-CG1 3.83Å; Y242-V264 HydrophobicContact CG-CB 4.27Å; Y242-V264 HydrophobicContact CG-CG1 3.8Å; W260-V264 PolarHBondContact O-N 2.88Å; A261-V264 WeakPolarHBondContact O-CB 3.19Å; A261-V264 PolarHBondContact O-N 3.4Å; A261-V264 VanDerWaalsContact O-N 3.16Å; L262-V264 VanDerWaalsContact C-N 3.33Å; L262-V264 PolarHBondContact O-N 2.88Å; V264-Y267 PolarHBondContact O-N 2.91Å; V264-E268 WeakPolarHBondContact O-CB 3.4Å; V264-E268 PolarHBondContact O-N 2.83Å; V264-P274 HydrophobicContact CG1-CB 4.34Å; V264-P275 HydrophobicContact CB-CG 4.35Å; V264-P275 HydrophobicContact CG1-CG 4.05Å; V264-P275 HydrophobicContact CG2-CG 4.27Å; V264-L311 HydrophobicContact CG2-CD2 3.69Å
265	L	98.8	Very high	98.4	Very high	1 Å²	1	12.4 Å²	12.4	1%	0.005	6%	0.063	C	C	.	.	H	α-helix	trans	-62.5	-45.5	179.3	-173.8	70.9	0	0	0	112.5	M166 I188 L205 P207 L210 Y242 A261 L262 Y267 E268 M269	M166-L265 HydrophobicContact SD-CD1 4.31Å; I188-L265 HydrophobicContact CG1-CD2 4.09Å; L205-L265 HydrophobicContact CD1-CD2 4.27Å; L205-L265 HydrophobicContact CD2-CB 4.04Å; L205-L265 HydrophobicContact CD2-CD2 3.83Å; L205-L265 HydrophobicContact CG-CD2 4.14Å; P207-L265 HydrophobicContact CG-CD1 3.79Å; L210-L265 HydrophobicContact CD1-CD1 4.01Å; L210-L265 HydrophobicContact CD1-CD2 3.58Å; L210-L265 HydrophobicContact CD1-CG 4.46Å; Y242-L265 HydrophobicContact CE1-CB 4Å; Y242-L265 HydrophobicContact CE1-CD1 4.5Å; A261-L265 PolarHBondContact O-N 3.31Å; L262-L265 PolarHBondContact O-N 2.83Å; L265-Y267 VanDerWaalsContact C-N 3.34Å; L265-Y267 PolarHBondContact O-N 2.95Å; L265-E268 PolarHBondContact O-N 3.31Å; L265-M269 HydrophobicContact CD2-CE 4.4Å; L265-M269 HydrophobicContact CG-CE 4.14Å; L265-M269 HydrophobicContact CG-CG 4.46Å; L265-M269 WeakPolarHBondContact O-CB 3.17Å; L265-M269 WeakPolarHBondContact O-CG 3.47Å; L265-M269 PolarHBondContact O-N 2.93Å
266	I	98.9	Very high	98.4	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-63.5	-41.2	179.2	-70.3	171.3	0	0	0	110.7	A185 L262 M269 A270 L303 L306 L307 L310 W334	A185-I266 HydrophobicContact CB-CD1 3.78Å; A185-I266 HydrophobicContact CB-CG1 3.68Å; L262-I266 HydrophobicContact CD1-CD1 3.85Å; L262-I266 HydrophobicContact CD1-CG1 4.04Å; L262-I266 HydrophobicContact CD2-CD1 4.33Å; L262-I266 HydrophobicContact CG-CD1 3.75Å; L262-I266 HydrophobicContact CG-CG1 4.32Å; L262-I266 WeakPolarHBondContact O-CB 3.31Å; L262-I266 VanDerWaalsContact O-CG1 3.25Å; L262-I266 WeakPolarHBondContact O-CG1 3.34Å; L262-I266 PolarHBondContact O-N 2.75Å; I266-M269 HydrophobicContact CG1-CE 4.29Å; I266-A270 WeakPolarHBondContact O-CB 3.31Å; I266-A270 PolarHBondContact O-N 3.47Å; I266-L303 HydrophobicContact CG2-CD1 3.55Å; I266-L306 HydrophobicContact CD1-CD2 4.14Å; I266-L307 HydrophobicContact CB-CD2 3.96Å; I266-L307 HydrophobicContact CG2-CD2 3.83Å; I266-L307 HydrophobicContact CG2-CG 4.38Å; I266-L310 HydrophobicContact CD1-CD1 3.93Å; I266-W334 HydrophobicContact CD1-CZ3 4.41Å; I266-W334 HydrophobicContact CG2-CH2 3.99Å; I266-W334 HydrophobicContact CG2-CZ3 4.27Å
267	Y	98.9	Very high	98.3	Very high	6 Å²	6	14.1 Å²	14.1	2%	0.024	7%	0.071	C	C	.	.	H	α-helix	trans	-62	-49.3	173.3	-177	-69.3	0	0	0	110.2	G263 V264 L265 A270 A271 Y273 P275 V293 K294 F295 F299 L307	G263-Y267 WeakPolarHBondContact O-CB 3.32Å; G263-Y267 PolarHBondContact O-N 2.76Å; G263-Y267 VanDerWaalsContact O-N 3.14Å; V264-Y267 PolarHBondContact O-N 2.91Å; L265-Y267 VanDerWaalsContact C-N 3.34Å; L265-Y267 PolarHBondContact O-N 2.95Å; Y267-A270 PolarHBondContact O-N 3.31Å; Y267-A271 HydrophobicContact CD1-CB 3.88Å; Y267-A271 HydrophobicContact CE1-CB 3.58Å; Y267-A271 VanDerWaalsContact O-CB 3.25Å; Y267-A271 WeakPolarHBondContact O-CB 3.35Å; Y267-A271 PolarHBondContact O-N 2.83Å; Y267-Y273 VanDerWaalsContact CD1-O 3.27Å; Y267-Y273 WeakPolarHBondContact CD1-O 3.33Å; Y267-Y273 HydrophobicContact CE1-CD2 4.1Å; Y267-Y273 AromaticContact CE1-CE2 3.8Å; Y267-Y273 HydrophobicContact CE1-CE2 3.8Å; Y267-Y273 VanDerWaalsContact CE1-O 3.3Å; Y267-Y273 WeakPolarHBondContact CE1-O 3.41Å; Y267-Y273 WeakPolarHBondContact OH-CE2 3.34Å; Y267-P275 HydrophobicContact CD1-CB 3.9Å; Y267-P275 HydrophobicContact CD1-CG 4.23Å; Y267-P275 HydrophobicContact CD2-CB 3.81Å; Y267-P275 HydrophobicContact CE1-CB 4.13Å; Y267-P275 HydrophobicContact CE2-CB 4.02Å; Y267-P275 HydrophobicContact CG-CB 3.77Å; Y267-P275 HydrophobicContact CG-CG 4.08Å; Y267-V293 HydrophobicContact CD2-CG1 4.03Å; Y267-V293 HydrophobicContact CE2-CG1 3.71Å; Y267-K294 WeakPolarHBondContact CE2-O 3.46Å; Y267-K294 PolarHBondContact OH-O 2.98Å; Y267-F295 HydrophobicContact CD2-CD1 4.21Å; Y267-F295 HydrophobicContact CD2-CE1 4.27Å; Y267-F295 HydrophobicContact CE2-CD1 4.03Å; Y267-F295 HydrophobicContact CE2-CE1 4.41Å; Y267-F299 AromaticContact CD2-CE2 3.88Å; Y267-F299 HydrophobicContact CD2-CE2 3.88Å; Y267-F299 HydrophobicContact CD2-CZ 4.35Å; Y267-F299 HydrophobicContact CE2-CE2 4.13Å; Y267-F299 HydrophobicContact CG-CE2 4.32Å; Y267-F299 HydrophobicContact CG-CZ 4.43Å; Y267-L307 HydrophobicContact CD2-CD1 4.08Å
268	E	98.6	Very high	98.2	Very high	5 Å²	5	14.8 Å²	14.8	2%	0.023	8%	0.077	C	C	.	.	H	α-helix	trans	-64	-44.1	-176.2	179.2	152.9	-147.2	0	0	112.8	L170 R171 Y242 V264 L265 A270 A271 G272 Y273 P274	L170-E268 HydrophobicContact CD2-CG 3.9Å; R171-E268 IonicContact CZ-OE1 2.86Å; R171-E268 IonicContact NH1-OE1 3.75Å; R171-E268 PolarHBondContact NH1-OE1 2.97Å; R171-E268 IonicContact NH2-OE1 2.78Å; R171-E268 PolarHBondContact NH2-OE1 2.95Å; Y242-E268 PolarHBondContact OH-OE2 2.63Å; V264-E268 WeakPolarHBondContact O-CB 3.4Å; V264-E268 PolarHBondContact O-N 2.83Å; L265-E268 PolarHBondContact O-N 3.31Å; E268-A270 VanDerWaalsContact C-N 3.31Å; E268-A270 PolarHBondContact O-N 2.89Å; E268-A271 PolarHBondContact O-N 2.86Å; E268-G272 WeakPolarHBondContact O-CA 3.46Å; E268-G272 PolarHBondContact O-N 2.85Å; E268-Y273 WeakPolarHBondContact CA-O 3.39Å; E268-P274 WeakPolarHBondContact OE1-CD 3.4Å
269	M	98.2	Very high	98	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-56.2	-45.1	173.9	-74.2	-170.2	-65	0	0	111.7	M166 F176 S181 Y184 A185 L265 I266	M166-M269 HydrophobicContact CE-SD 4.01Å; M166-M269 HydrophobicContact SD-CG 4.04Å; M166-M269 HydrophobicContact SD-SD 3.77Å; F176-M269 HydrophobicContact CD2-CB 3.96Å; F176-M269 HydrophobicContact CD2-CG 3.88Å; F176-M269 HydrophobicContact CD2-SD 4.01Å; F176-M269 HydrophobicContact CE2-CG 4.19Å; F176-M269 HydrophobicContact CE2-SD 4.26Å; F176-M269 PolarHBondContact N-O 3.13Å; S181-M269 VanDerWaalsContact O-CE 3.31Å; S181-M269 WeakPolarHBondContact O-CE 3.38Å; Y184-M269 HydrophobicContact CD2-SD 4.41Å; A185-M269 HydrophobicContact CB-CE 4.27Å; L265-M269 HydrophobicContact CD2-CE 4.4Å; L265-M269 HydrophobicContact CG-CE 4.14Å; L265-M269 HydrophobicContact CG-CG 4.46Å; L265-M269 WeakPolarHBondContact O-CB 3.17Å; L265-M269 WeakPolarHBondContact O-CG 3.47Å; L265-M269 PolarHBondContact O-N 2.93Å; I266-M269 HydrophobicContact CG1-CE 4.29Å
270	A	98	Very high	97.8	Very high	4 Å²	4	27.1 Å²	27.1	3%	0.033	14%	0.14	C	C	.	.	H	α-helix	trans	-79.5	-29.8	-176.3	0	0	0	0	0	114.3	I266 Y267 E268 F299 L303	I266-A270 WeakPolarHBondContact O-CB 3.31Å; I266-A270 PolarHBondContact O-N 3.47Å; Y267-A270 PolarHBondContact O-N 3.31Å; E268-A270 VanDerWaalsContact C-N 3.31Å; E268-A270 PolarHBondContact O-N 2.89Å; A270-F299 HydrophobicContact CB-CD1 4.39Å; A270-F299 HydrophobicContact CB-CE1 3.57Å; A270-F299 HydrophobicContact CB-CZ 3.66Å; A270-L303 HydrophobicContact CB-CD2 3.78Å
271	A	98.1	Very high	97.7	Very high	11 Å²	11	29.9 Å²	29.9	9%	0.091	16%	0.158	C	C	.	.	H	α-helix	trans	-94.1	-30.9	-178.1	0	0	0	0	0	113.9	Y267 E268 Y273 P296 F299	Y267-A271 HydrophobicContact CD1-CB 3.88Å; Y267-A271 HydrophobicContact CE1-CB 3.58Å; Y267-A271 VanDerWaalsContact O-CB 3.25Å; Y267-A271 WeakPolarHBondContact O-CB 3.35Å; Y267-A271 PolarHBondContact O-N 2.83Å; E268-A271 PolarHBondContact O-N 2.86Å; A271-Y273 HydrophobicContact CB-CD1 4.03Å; A271-Y273 HydrophobicContact CB-CE1 3.82Å; A271-Y273 HydrophobicContact CB-CE2 4.4Å; A271-Y273 HydrophobicContact CB-CG 4.42Å; A271-Y273 WeakPolarHBondContact O-CD1 3.5Å; A271-P296 HydrophobicContact CB-CG 4.21Å; A271-F299 HydrophobicContact CB-CE1 4.11Å; A271-F299 HydrophobicContact CB-CZ 3.85Å
272	G	96.9	Very high	97.5	Very high	14 Å²	14	34.6 Å²	34.6	14%	0.144	18%	0.181	C	C	.	.	S	Bend	trans	90.3	0.2	-169	0	0	0	0	0	115.1	R171 G174 E268	R171-G272 PolarHBondContact NH1-O 3.39Å; G174-G272 WeakPolarHBondContact O-CA 3.41Å; E268-G272 WeakPolarHBondContact O-CA 3.46Å; E268-G272 PolarHBondContact O-N 2.85Å
273	Y	97.5	Very high	97.5	Very high	93 Å²	93	38.3 Å²	38.3	37%	0.365	20%	0.198	S	C	.	.	S	Bend	trans	-155.5	152.4	-178.3	60	-90.4	0	0	0	109.7	Y267 E268 A271 F277	Y267-Y273 VanDerWaalsContact CD1-O 3.27Å; Y267-Y273 WeakPolarHBondContact CD1-O 3.33Å; Y267-Y273 HydrophobicContact CE1-CD2 4.1Å; Y267-Y273 AromaticContact CE1-CE2 3.8Å; Y267-Y273 HydrophobicContact CE1-CE2 3.8Å; Y267-Y273 VanDerWaalsContact CE1-O 3.3Å; Y267-Y273 WeakPolarHBondContact CE1-O 3.41Å; Y267-Y273 WeakPolarHBondContact OH-CE2 3.34Å; E268-Y273 WeakPolarHBondContact CA-O 3.39Å; A271-Y273 HydrophobicContact CB-CD1 4.03Å; A271-Y273 HydrophobicContact CB-CE1 3.82Å; A271-Y273 HydrophobicContact CB-CE2 4.4Å; A271-Y273 HydrophobicContact CB-CG 4.42Å; A271-Y273 WeakPolarHBondContact O-CD1 3.5Å; Y273-F277 HydrophobicContact CD2-CD1 4.22Å; Y273-F277 AromaticContact CD2-CE1 3.69Å; Y273-F277 HydrophobicContact CD2-CE1 3.69Å; Y273-F277 HydrophobicContact CD2-CZ 4.48Å; Y273-F277 HydrophobicContact CE2-CE1 4.06Å
274	P	98	Very high	97.4	Very high	14 Å²	14	38.5 Å²	38.5	9%	0.091	20%	0.199	C	C	.	.			trans	-74.1	158.2	-175.7	29.9	-32.2	0	0	0	112.3	E241 V264 E268 F276 F277	E241-P274 HydrophobicContact CB-CB 4.38Å; E241-P274 HydrophobicContact CB-CG 4.39Å; E241-P274 HydrophobicContact CG-CG 4.15Å; V264-P274 HydrophobicContact CG1-CB 4.34Å; E268-P274 WeakPolarHBondContact OE1-CD 3.4Å; P274-F276 PolarHBondContact O-N 2.9Å; P274-F277 HydrophobicContact CG-CB 4.26Å; P274-F277 WeakPolarHBondContact O-CD1 3.07Å
275	P	98.4	Very high	97.4	Very high	14 Å²	14	41.4 Å²	41.4	9%	0.091	21%	0.21	C	C	.	.	S	Bend	trans	-64.7	-23.9	-178.6	24	-32.8	0	0	0	113.9	V264 Y267 V293 L311	V264-P275 HydrophobicContact CB-CG 4.35Å; V264-P275 HydrophobicContact CG1-CG 4.05Å; V264-P275 HydrophobicContact CG2-CG 4.27Å; Y267-P275 HydrophobicContact CD1-CB 3.9Å; Y267-P275 HydrophobicContact CD1-CG 4.23Å; Y267-P275 HydrophobicContact CD2-CB 3.81Å; Y267-P275 HydrophobicContact CE1-CB 4.13Å; Y267-P275 HydrophobicContact CE2-CB 4.02Å; Y267-P275 HydrophobicContact CG-CB 3.77Å; Y267-P275 HydrophobicContact CG-CG 4.08Å; P275-V293 HydrophobicContact CB-CG1 4.16Å; P275-L311 HydrophobicContact CB-CD1 4.08Å; P275-L311 HydrophobicContact CG-CD1 3.97Å
276	F	98	Very high	97.3	Very high	5 Å²	5	47.4 Å²	47.4	2%	0.022	24%	0.238	C	C	.	.	S	Bend	trans	-131	112.7	179.6	-45.6	-75.5	0	0	0	109	W260 P274 I284 K287 I288 V293 L311	W260-F276 AromaticContact CH2-CE2 3.89Å; W260-F276 HydrophobicContact CH2-CE2 3.89Å; W260-F276 AromaticContact CH2-CZ 3.92Å; W260-F276 HydrophobicContact CH2-CZ 3.92Å; W260-F276 HydrophobicContact CZ2-CD2 4.23Å; W260-F276 AromaticContact CZ2-CE2 3.39Å; W260-F276 HydrophobicContact CZ2-CE2 3.39Å; W260-F276 AromaticContact CZ2-CZ 3.91Å; W260-F276 HydrophobicContact CZ2-CZ 3.91Å; P274-F276 PolarHBondContact O-N 2.9Å; F276-I284 HydrophobicContact CB-CG2 4.23Å; F276-K287 HydrophobicContact CB-CB 4.33Å; F276-K287 HydrophobicContact CD1-CB 4.01Å; F276-I288 HydrophobicContact CB-CD1 4.46Å; F276-I288 HydrophobicContact CB-CG1 3.75Å; F276-I288 HydrophobicContact CD1-CG1 4.31Å; F276-I288 HydrophobicContact CD2-CG1 3.54Å; F276-I288 HydrophobicContact CE2-CG1 4.19Å; F276-I288 HydrophobicContact CG-CG1 3.61Å; F276-V293 HydrophobicContact CE1-CG2 3.85Å; F276-V293 HydrophobicContact CE2-CG2 4.33Å; F276-V293 HydrophobicContact CZ-CG2 3.47Å; F276-V293 VanDerWaalsContact CZ-CG2 3.47Å; F276-L311 HydrophobicContact CE2-CD2 4.4Å
277	F	95.4	Very high	97.3	Very high	113 Å²	113	51.6 Å²	51.6	50%	0.496	26%	0.257	S	S	.	.			trans	-142.6	151.8	175.8	62.7	-83.3	0	0	0	110.5	Y273 P274 K287	Y273-F277 HydrophobicContact CD2-CD1 4.22Å; Y273-F277 AromaticContact CD2-CE1 3.69Å; Y273-F277 HydrophobicContact CD2-CE1 3.69Å; Y273-F277 HydrophobicContact CD2-CZ 4.48Å; Y273-F277 HydrophobicContact CE2-CE1 4.06Å; P274-F277 HydrophobicContact CG-CB 4.26Å; P274-F277 WeakPolarHBondContact O-CD1 3.07Å; F277-K287 PolarHBondContact O-NZ 2.89Å
278	A	96.3	Very high	97.3	Very high	20 Å²	20	51.3 Å²	51.3	17%	0.165	26%	0.256	C	S	.	.			trans	-167.2	165.5	177.2	0	0	0	0	0	109.3	Q280 Q283 I284	A278-Q280 PolarHBondContact O-N 3.16Å; A278-Q283 HydrophobicContact CB-CB 3.48Å; A278-Q283 VanDerWaalsContact CB-CB 3.48Å; A278-I284 HydrophobicContact CB-CG1 3.81Å
279	D	95	Very high	97.2	Very high	150 Å²	150	53.5 Å²	53.5	80%	0.802	27%	0.269	S	S	*	.	S	Bend	trans	-72.5	-10.8	-176.5	-47.9	-48.4	0	0	0	113.7
280	Q	95.7	Very high	97.2	Very high	113 Å²	113	56.3 Å²	56.3	53%	0.528	29%	0.289	S	S	.	.	S	Bend	trans	-139.9	133.9	-177.4	-68.2	-64.4	-63.8	0	0	110.8	A278 I282 Q283 I284	A278-Q280 PolarHBondContact O-N 3.16Å; Q280-I282 VanDerWaalsContact C-N 3.26Å; Q280-I282 HydrophobicContact CB-CG2 4.31Å; Q280-I282 PolarHBondContact O-N 2.87Å; Q280-I282 VanDerWaalsContact O-N 3.1Å; Q280-Q283 HydrophobicContact CB-CG 4.39Å; Q280-Q283 WeakPolarHBondContact O-CB 3.37Å; Q280-Q283 PolarHBondContact O-N 2.97Å; Q280-I284 PolarHBondContact O-N 3.44Å
281	P	95	Very high	97	Very high	59 Å²	59	57.3 Å²	57.3	38%	0.383	30%	0.299	S	S	.	.	H	α-helix	trans	-53.9	-36.1	-175.7	-30	35.9	0	0	0	115	Q283 I284 Y285	P281-Q283 VanDerWaalsContact C-N 3.28Å; P281-Q283 PolarHBondContact O-N 2.91Å; P281-I284 WeakPolarHBondContact O-CA 3.49Å; P281-I284 WeakPolarHBondContact O-CB 3.47Å; P281-I284 PolarHBondContact O-N 2.8Å; P281-Y285 HydrophobicContact CB-CE1 4.38Å; P281-Y285 HydrophobicContact CB-CE2 4.09Å; P281-Y285 WeakPolarHBondContact O-CD1 3.43Å; P281-Y285 WeakPolarHBondContact O-CD2 3.41Å; P281-Y285 PolarHBondContact O-N 2.82Å
282	I	96.1	Very high	96.8	Very high	104 Å²	104	65 Å²	65	53%	0.533	33%	0.331	S	S	.	.	H	α-helix	trans	-58.9	-37.7	177.7	-169.6	61.3	0	0	0	112.7	Q280 I284 Y285 E286	Q280-I282 VanDerWaalsContact C-N 3.26Å; Q280-I282 HydrophobicContact CB-CG2 4.31Å; Q280-I282 PolarHBondContact O-N 2.87Å; Q280-I282 VanDerWaalsContact O-N 3.1Å; I282-I284 VanDerWaalsContact C-N 3.33Å; I282-Y285 HydrophobicContact CD1-CD2 4.4Å; I282-Y285 PolarHBondContact O-N 2.74Å; I282-E286 WeakPolarHBondContact O-CG 3.5Å; I282-E286 PolarHBondContact O-N 3.05Å
283	Q	97.8	Very high	96.9	Very high	79 Å²	79	65.6 Å²	65.6	37%	0.369	33%	0.332	S	S	.	.	H	α-helix	trans	-74.3	-25.4	177.1	-61	175.7	6.2	0	0	112.1	A278 Q280 P281 K287	A278-Q283 HydrophobicContact CB-CB 3.48Å; A278-Q283 VanDerWaalsContact CB-CB 3.48Å; Q280-Q283 HydrophobicContact CB-CG 4.39Å; Q280-Q283 WeakPolarHBondContact O-CB 3.37Å; Q280-Q283 PolarHBondContact O-N 2.97Å; P281-Q283 VanDerWaalsContact C-N 3.28Å; P281-Q283 PolarHBondContact O-N 2.91Å; Q283-K287 WeakPolarHBondContact O-CD 3.25Å; Q283-K287 VanDerWaalsContact O-CG 3.23Å; Q283-K287 WeakPolarHBondContact O-CG 3.41Å; Q283-K287 PolarHBondContact O-N 3.02Å
284	I	97.7	Very high	96.8	Very high	3 Å²	3	69.7 Å²	69.7	2%	0.015	35%	0.351	C	S	.	.	H	α-helix	trans	-69.6	-45.8	170.7	-52.1	-178.2	0	0	0	108.9	E241 F276 A278 Q280 P281 I282 E286 K287 I288	E241-I284 HydrophobicContact CG-CD1 4.21Å; E241-I284 VanDerWaalsContact OE1-CD1 3.24Å; E241-I284 WeakPolarHBondContact OE1-CD1 3.34Å; F276-I284 HydrophobicContact CB-CG2 4.23Å; A278-I284 HydrophobicContact CB-CG1 3.81Å; Q280-I284 PolarHBondContact O-N 3.44Å; P281-I284 WeakPolarHBondContact O-CA 3.49Å; P281-I284 WeakPolarHBondContact O-CB 3.47Å; P281-I284 PolarHBondContact O-N 2.8Å; I282-I284 VanDerWaalsContact C-N 3.33Å; I284-E286 PolarHBondContact O-N 3.16Å; I284-K287 WeakPolarHBondContact O-CB 3.34Å; I284-K287 PolarHBondContact O-N 2.67Å; I284-K287 VanDerWaalsContact O-N 3.15Å; I284-I288 HydrophobicContact CG2-CD1 3.8Å; I284-I288 HydrophobicContact CG2-CG1 4.43Å; I284-I288 WeakPolarHBondContact O-CG1 3.33Å; I284-I288 PolarHBondContact O-N 2.8Å
285	Y	97.8	Very high	96.8	Very high	61 Å²	61	71.6 Å²	71.6	24%	0.239	36%	0.358	C	S	.	.	H	α-helix	trans	-61.6	-43.2	179	-57.6	-20.1	0	0	0	112.7	P240 L243 I248 P281 I282 K287 I288 V289	P240-Y285 HydrophobicContact CB-CE1 3.9Å; L243-Y285 HydrophobicContact CD1-CD1 4.5Å; L243-Y285 HydrophobicContact CD1-CE1 3.76Å; I248-Y285 HydrophobicContact CD1-CD1 3.83Å; I248-Y285 HydrophobicContact CD1-CG 4.26Å; I248-Y285 HydrophobicContact CG1-CD1 3.98Å; I248-Y285 HydrophobicContact CG1-CG 4.22Å; I248-Y285 HydrophobicContact CG2-CG 4.24Å; P281-Y285 HydrophobicContact CB-CE1 4.38Å; P281-Y285 HydrophobicContact CB-CE2 4.09Å; P281-Y285 WeakPolarHBondContact O-CD1 3.43Å; P281-Y285 WeakPolarHBondContact O-CD2 3.41Å; P281-Y285 PolarHBondContact O-N 2.82Å; I282-Y285 HydrophobicContact CD1-CD2 4.4Å; I282-Y285 PolarHBondContact O-N 2.74Å; Y285-K287 VanDerWaalsContact C-N 3.33Å; Y285-K287 PolarHBondContact O-N 3.49Å; Y285-I288 PolarHBondContact O-N 2.96Å; Y285-V289 WeakPolarHBondContact O-CB 3.49Å; Y285-V289 WeakPolarHBondContact O-CG2 3.38Å; Y285-V289 PolarHBondContact O-N 2.97Å
286	E	97.8	Very high	96.8	Very high	127 Å²	127	71.6 Å²	71.6	59%	0.593	36%	0.358	S	S	*	.	H	α-helix	trans	-57.1	-44.7	172.3	-73.8	171.8	175.6	0	0	112.1	I282 I284 S290	I282-E286 WeakPolarHBondContact O-CG 3.5Å; I282-E286 PolarHBondContact O-N 3.05Å; I284-E286 PolarHBondContact O-N 3.16Å; E286-S290 WeakPolarHBondContact O-CB 3.49Å; E286-S290 PolarHBondContact O-N 3.18Å; E286-S290 VanDerWaalsContact O-N 3.09Å
287	K	98.1	Very high	96.8	Very high	89 Å²	89	76.9 Å²	76.9	39%	0.387	40%	0.396	S	S	.	.	H	α-helix	trans	-65.1	-46.1	177.9	-72	171.2	-171.7	-177.6	0	111.6	F276 F277 Q283 I284 Y285 S290 G291	F276-K287 HydrophobicContact CB-CB 4.33Å; F276-K287 HydrophobicContact CD1-CB 4.01Å; F277-K287 PolarHBondContact O-NZ 2.89Å; Q283-K287 WeakPolarHBondContact O-CD 3.25Å; Q283-K287 VanDerWaalsContact O-CG 3.23Å; Q283-K287 WeakPolarHBondContact O-CG 3.41Å; Q283-K287 PolarHBondContact O-N 3.02Å; I284-K287 WeakPolarHBondContact O-CB 3.34Å; I284-K287 PolarHBondContact O-N 2.67Å; I284-K287 VanDerWaalsContact O-N 3.15Å; Y285-K287 VanDerWaalsContact C-N 3.33Å; Y285-K287 PolarHBondContact O-N 3.49Å; K287-S290 WeakPolarHBondContact O-CB 3.28Å; K287-S290 PolarHBondContact O-N 2.81Å; K287-S290 PolarHBondContact O-OG 3.36Å; K287-G291 PolarHBondContact O-N 2.89Å
288	I	98.2	Very high	96.9	Very high	0 Å²	0	76 Å²	76	0%	0	39%	0.393	C	S	.	.	H	α-helix	trans	-57.5	-53.1	176.8	-74.4	165.8	0	0	0	111	P240 P245 I248 W260 F276 I284 Y285 S290 G291	P240-I288 WeakPolarHBondContact O-CD1 3.26Å; P245-I288 HydrophobicContact CB-CG2 4.3Å; P245-I288 HydrophobicContact CG-CG2 3.73Å; I248-I288 HydrophobicContact CD1-CB 3.88Å; I248-I288 HydrophobicContact CD1-CD1 3.87Å; I248-I288 HydrophobicContact CD1-CG1 4.48Å; I248-I288 HydrophobicContact CD1-CG2 3.45Å; I248-I288 VanDerWaalsContact CD1-CG2 3.45Å; W260-I288 HydrophobicContact CH2-CG2 4.31Å; W260-I288 HydrophobicContact CZ2-CG2 3.71Å; F276-I288 HydrophobicContact CB-CD1 4.46Å; F276-I288 HydrophobicContact CB-CG1 3.75Å; F276-I288 HydrophobicContact CD1-CG1 4.31Å; F276-I288 HydrophobicContact CD2-CG1 3.54Å; F276-I288 HydrophobicContact CE2-CG1 4.19Å; F276-I288 HydrophobicContact CG-CG1 3.61Å; I284-I288 HydrophobicContact CG2-CD1 3.8Å; I284-I288 HydrophobicContact CG2-CG1 4.43Å; I284-I288 WeakPolarHBondContact O-CG1 3.33Å; I284-I288 PolarHBondContact O-N 2.8Å; Y285-I288 PolarHBondContact O-N 2.96Å; I288-S290 PolarHBondContact O-N 3.43Å; I288-G291 PolarHBondContact O-N 2.87Å
289	V	97.6	Very high	97	Very high	51 Å²	51	75.3 Å²	75.3	31%	0.309	39%	0.386	S	S	.	.	H	α-helix	trans	-64.2	-27.6	-178.5	172.4	0	0	0	0	111.9	P245 I248 L249 Y285 G291	P245-V289 HydrophobicContact CB-CG2 4.45Å; I248-V289 HydrophobicContact CB-CG2 4.29Å; I248-V289 HydrophobicContact CG2-CG2 3.74Å; L249-V289 HydrophobicContact CD1-CG1 4.28Å; L249-V289 HydrophobicContact CD1-CG2 4.49Å; L249-V289 HydrophobicContact CD2-CG1 4.23Å; L249-V289 HydrophobicContact CD2-CG2 4.28Å; L249-V289 HydrophobicContact CG-CG1 4.49Å; L249-V289 HydrophobicContact CG-CG2 4.12Å; Y285-V289 WeakPolarHBondContact O-CB 3.49Å; Y285-V289 WeakPolarHBondContact O-CG2 3.38Å; Y285-V289 PolarHBondContact O-N 2.97Å; V289-G291 VanDerWaalsContact C-N 3.32Å; V289-G291 PolarHBondContact O-N 3Å
290	S	96.8	Very high	97.2	Very high	58 Å²	58	69.6 Å²	69.6	41%	0.406	36%	0.359	S	S	.	.	H	α-helix	trans	-70.1	-23.2	174.1	85	0	0	0	0	114.6	E286 K287 I288 K292	E286-S290 WeakPolarHBondContact O-CB 3.49Å; E286-S290 PolarHBondContact O-N 3.18Å; E286-S290 VanDerWaalsContact O-N 3.09Å; K287-S290 WeakPolarHBondContact O-CB 3.28Å; K287-S290 PolarHBondContact O-N 2.81Å; K287-S290 PolarHBondContact O-OG 3.36Å; I288-S290 PolarHBondContact O-N 3.43Å; S290-K292 PolarHBondContact O-N 2.95Å; S290-K292 PolarHBondContact OG-N 3.5Å
291	G	94.2	Very high	97.3	Very high	25 Å²	25	69.8 Å²	69.8	26%	0.258	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.3	6.3	-175.6	0	0	0	0	0	116	K287 I288 V289 V293 V313	K287-G291 PolarHBondContact O-N 2.89Å; I288-G291 PolarHBondContact O-N 2.87Å; V289-G291 VanDerWaalsContact C-N 3.32Å; V289-G291 PolarHBondContact O-N 3Å; G291-V293 VanDerWaalsContact C-N 3.32Å; G291-V293 PolarHBondContact O-N 3.26Å; G291-V313 VanDerWaalsContact CA-CG2 3.46Å
292	K	95.4	Very high	97.5	Very high	172 Å²	172	70.8 Å²	70.8	75%	0.748	36%	0.363	S	S	*	.			trans	-82.9	67.2	-170.1	-66.8	178.5	-176.2	174.6	0	113.4	S290	S290-K292 PolarHBondContact O-N 2.95Å; S290-K292 PolarHBondContact OG-N 3.5Å
293	V	97	Very high	97.6	Very high	28 Å²	28	65.9 Å²	65.9	17%	0.17	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-66	131.4	174.2	-174.7	0	0	0	0	110.9	Y267 P275 F276 G291 F295 L311	Y267-V293 HydrophobicContact CD2-CG1 4.03Å; Y267-V293 HydrophobicContact CE2-CG1 3.71Å; P275-V293 HydrophobicContact CB-CG1 4.16Å; F276-V293 HydrophobicContact CE1-CG2 3.85Å; F276-V293 HydrophobicContact CE2-CG2 4.33Å; F276-V293 HydrophobicContact CZ-CG2 3.47Å; F276-V293 VanDerWaalsContact CZ-CG2 3.47Å; G291-V293 VanDerWaalsContact C-N 3.32Å; G291-V293 PolarHBondContact O-N 3.26Å; V293-F295 HydrophobicContact CB-CE1 4.43Å; V293-F295 HydrophobicContact CB-CE2 4.46Å; V293-F295 HydrophobicContact CB-CZ 4.08Å; V293-F295 HydrophobicContact CG1-CD1 4.03Å; V293-F295 HydrophobicContact CG1-CE1 3.54Å; V293-F295 HydrophobicContact CG1-CE2 4.26Å; V293-F295 HydrophobicContact CG1-CZ 3.68Å; V293-L311 HydrophobicContact CG1-CD1 4.35Å; V293-L311 HydrophobicContact CG2-CB 4.16Å; V293-L311 HydrophobicContact CG2-CD1 3.81Å
294	K	97	Very high	97.7	Very high	178 Å²	178	64.1 Å²	64.1	77%	0.774	33%	0.328	S	S	*	.	P	Polyproline II helix	trans	-102.2	125	166.4	-70.5	-178.1	178.7	179.6	0	109.3	Y267	Y267-K294 WeakPolarHBondContact CE2-O 3.46Å; Y267-K294 PolarHBondContact OH-O 2.98Å
295	F	98.3	Very high	97.7	Very high	54 Å²	54	67.3 Å²	67.3	24%	0.237	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-92.7	139.4	178.2	-59.9	-71.5	0	0	0	111.5	Y267 V293 F299 K304 L307 K308	Y267-F295 HydrophobicContact CD2-CD1 4.21Å; Y267-F295 HydrophobicContact CD2-CE1 4.27Å; Y267-F295 HydrophobicContact CE2-CD1 4.03Å; Y267-F295 HydrophobicContact CE2-CE1 4.41Å; V293-F295 HydrophobicContact CB-CE1 4.43Å; V293-F295 HydrophobicContact CB-CE2 4.46Å; V293-F295 HydrophobicContact CB-CZ 4.08Å; V293-F295 HydrophobicContact CG1-CD1 4.03Å; V293-F295 HydrophobicContact CG1-CE1 3.54Å; V293-F295 HydrophobicContact CG1-CE2 4.26Å; V293-F295 HydrophobicContact CG1-CZ 3.68Å; F295-F299 HydrophobicContact CB-CD2 4.37Å; F295-F299 AromaticContact CD1-CD2 3.97Å; F295-F299 HydrophobicContact CD1-CD2 3.97Å; F295-F299 HydrophobicContact CD1-CE2 4.18Å; F295-K304 HydrophobicContact CB-CD 4.47Å; F295-K304 HydrophobicContact CB-CG 3.92Å; F295-K304 HydrophobicContact CD1-CG 4.32Å; F295-K304 HydrophobicContact CD2-CG 4.29Å; F295-K304 HydrophobicContact CG-CG 3.9Å; F295-L307 HydrophobicContact CD1-CD1 4.24Å; F295-L307 HydrophobicContact CE1-CB 3.6Å; F295-L307 HydrophobicContact CE1-CD1 3.9Å; F295-L307 HydrophobicContact CE1-CG 4.42Å; F295-L307 HydrophobicContact CZ-CB 4.09Å; F295-K308 HydrophobicContact CE2-CG 4.02Å; F295-K308 HydrophobicContact CZ-CG 4.05Å
296	P	98.3	Very high	97.8	Very high	14 Å²	14	64.4 Å²	64.4	9%	0.091	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-58.6	152.3	168.8	-23.2	34.1	0	0	0	112.4	A271 H298 F299 K304	A271-P296 HydrophobicContact CB-CG 4.21Å; P296-H298 VanDerWaalsContact C-N 3.28Å; P296-H298 WeakPolarHBondContact CB-CE1 3.38Å; P296-H298 PolarHBondContact O-N 2.67Å; P296-F299 HydrophobicContact CB-CD1 4.05Å; P296-F299 HydrophobicContact CB-CE1 4.24Å; P296-F299 HydrophobicContact CG-CD1 3.96Å; P296-F299 HydrophobicContact CG-CE1 3.7Å; P296-F299 HydrophobicContact CG-CE2 4.44Å; P296-F299 HydrophobicContact CG-CG 4.45Å; P296-F299 HydrophobicContact CG-CZ 3.97Å; P296-F299 PolarHBondContact O-N 2.86Å; P296-K304 WeakPolarHBondContact O-CE 3.47Å
297	S	97.5	Very high	97.8	Very high	116 Å²	116	58.3 Å²	58.3	81%	0.811	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-44.5	177.3	49.6	0	0	0	0	112	F299 K304	S297-F299 VanDerWaalsContact C-N 3.32Å; S297-F299 PolarHBondContact O-N 2.91Å; S297-K304 PolarHBondContact O-NZ 3.28Å; S297-K304 VanDerWaalsContact O-NZ 3.08Å
298	H	97.7	Very high	97.9	Very high	94 Å²	94	59.3 Å²	59.3	44%	0.435	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-7.3	-173.8	63.5	-105.2	0	0	0	116.1	R175 P296	R175-H298 PolarHBondContact NH1-CD2 2.63Å; R175-H298 PolarHBondContact NH1-CE1 3.02Å; R175-H298 VanDerWaalsContact NH1-CG 3.34Å; R175-H298 PolarHBondContact NH1-ND1 3.23Å; R175-H298 PolarHBondContact NH1-NE2 3.28Å; P296-H298 VanDerWaalsContact C-N 3.28Å; P296-H298 WeakPolarHBondContact CB-CE1 3.38Å; P296-H298 PolarHBondContact O-N 2.67Å
299	F	98.6	Very high	97.9	Very high	6 Å²	6	61 Å²	61	3%	0.026	32%	0.319	C	S	.	.	S	Bend	trans	-68.1	140.9	172.6	-80.8	16.5	0	0	0	110.1	Y267 A270 A271 F295 P296 S297 L303 K304 L307	Y267-F299 AromaticContact CD2-CE2 3.88Å; Y267-F299 HydrophobicContact CD2-CE2 3.88Å; Y267-F299 HydrophobicContact CD2-CZ 4.35Å; Y267-F299 HydrophobicContact CE2-CE2 4.13Å; Y267-F299 HydrophobicContact CG-CE2 4.32Å; Y267-F299 HydrophobicContact CG-CZ 4.43Å; A270-F299 HydrophobicContact CB-CD1 4.39Å; A270-F299 HydrophobicContact CB-CE1 3.57Å; A270-F299 HydrophobicContact CB-CZ 3.66Å; A271-F299 HydrophobicContact CB-CE1 4.11Å; A271-F299 HydrophobicContact CB-CZ 3.85Å; F295-F299 HydrophobicContact CB-CD2 4.37Å; F295-F299 AromaticContact CD1-CD2 3.97Å; F295-F299 HydrophobicContact CD1-CD2 3.97Å; F295-F299 HydrophobicContact CD1-CE2 4.18Å; P296-F299 HydrophobicContact CB-CD1 4.05Å; P296-F299 HydrophobicContact CB-CE1 4.24Å; P296-F299 HydrophobicContact CG-CD1 3.96Å; P296-F299 HydrophobicContact CG-CE1 3.7Å; P296-F299 HydrophobicContact CG-CE2 4.44Å; P296-F299 HydrophobicContact CG-CG 4.45Å; P296-F299 HydrophobicContact CG-CZ 3.97Å; P296-F299 PolarHBondContact O-N 2.86Å; S297-F299 VanDerWaalsContact C-N 3.32Å; S297-F299 PolarHBondContact O-N 2.91Å; F299-L303 HydrophobicContact CB-CD2 3.99Å; F299-L303 HydrophobicContact CB-CG 4.4Å; F299-L303 HydrophobicContact CD1-CD2 3.79Å; F299-L303 HydrophobicContact CD2-CD2 3.54Å; F299-L303 HydrophobicContact CD2-CG 3.77Å; F299-L303 HydrophobicContact CE1-CD2 4.1Å; F299-L303 HydrophobicContact CE2-CD2 3.86Å; F299-L303 HydrophobicContact CE2-CG 4.2Å; F299-L303 HydrophobicContact CG-CD2 3.49Å; F299-L303 VanDerWaalsContact CG-CD2 3.49Å; F299-L303 HydrophobicContact CG-CG 4.12Å; F299-L303 HydrophobicContact CZ-CD2 4.12Å; F299-K304 HydrophobicContact CB-CD 4.33Å; F299-K304 HydrophobicContact CB-CG 3.96Å; F299-K304 WeakPolarHBondContact O-CE 3.44Å; F299-K304 PolarHBondContact O-NZ 3.09Å; F299-L307 HydrophobicContact CD2-CD1 4Å; F299-L307 HydrophobicContact CE2-CD1 3.57Å
300	S	98.7	Very high	97.9	Very high	31 Å²	31	58.5 Å²	58.5	22%	0.217	30%	0.304	C	S	.	.			trans	-61.4	161.4	170.1	66.7	0	0	0	0	111.9	E178 E302 L303 K304	E178-S300 WeakPolarHBondContact OE1-CB 3.5Å; E178-S300 PolarHBondContact OE1-N 2.9Å; E178-S300 PolarHBondContact OE1-OG 3.05Å; E178-S300 WeakPolarHBondContact OE2-CB 3.44Å; E178-S300 PolarHBondContact OE2-OG 3.14Å; S300-E302 PolarHBondContact O-N 2.83Å; S300-L303 PolarHBondContact O-N 2.77Å; S300-L303 WeakPolarHBondContact OG-CB 3.39Å; S300-L303 PolarHBondContact OG-N 3.2Å; S300-K304 WeakPolarHBondContact O-CB 3.16Å; S300-K304 WeakPolarHBondContact O-CD 3.35Å; S300-K304 VanDerWaalsContact O-CG 3.28Å; S300-K304 WeakPolarHBondContact O-CG 3.14Å; S300-K304 PolarHBondContact O-N 3.06Å
301	N	98.6	Very high	98	Very high	117 Å²	117	56.2 Å²	56.2	63%	0.626	29%	0.287	S	S	*	.	H	α-helix	trans	-67.8	-34	175.6	-70.9	-34.6	0	0	0	110.5	K304 D305	N301-K304 PolarHBondContact O-N 2.9Å; N301-D305 WeakPolarHBondContact O-CB 3.42Å; N301-D305 PolarHBondContact O-N 3.34Å
302	E	98.7	Very high	98.2	Very high	80 Å²	80	57.7 Å²	57.7	37%	0.374	29%	0.288	S	S	.	.	H	α-helix	trans	-64.8	-44.5	176.4	-64.4	62.9	-142.9	0	0	110.8	S300 D305 L306 H332 K333 W334	S300-E302 PolarHBondContact O-N 2.83Å; E302-D305 PolarHBondContact O-N 2.95Å; E302-L306 PolarHBondContact O-N 2.96Å; E302-H332 PolarHBondContact O-CE1 3.47Å; E302-H332 VanDerWaalsContact O-CE1 3.27Å; E302-K333 HydrophobicContact CG-CB 4.09Å; E302-W334 HydrophobicContact CB-CB 3.98Å; E302-W334 HydrophobicContact CB-CG 4.42Å
303	L	98.8	Very high	98.4	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-64.9	-45.9	174	178.6	56.7	0	0	0	111.3	E178 I266 A270 F299 S300 D305 L306 L307 W334	E178-L303 HydrophobicContact CG-CD2 3.87Å; E178-L303 WeakPolarHBondContact OE1-CD2 3.47Å; I266-L303 HydrophobicContact CG2-CD1 3.55Å; A270-L303 HydrophobicContact CB-CD2 3.78Å; F299-L303 HydrophobicContact CB-CD2 3.99Å; F299-L303 HydrophobicContact CB-CG 4.4Å; F299-L303 HydrophobicContact CD1-CD2 3.79Å; F299-L303 HydrophobicContact CD2-CD2 3.54Å; F299-L303 HydrophobicContact CD2-CG 3.77Å; F299-L303 HydrophobicContact CE1-CD2 4.1Å; F299-L303 HydrophobicContact CE2-CD2 3.86Å; F299-L303 HydrophobicContact CE2-CG 4.2Å; F299-L303 HydrophobicContact CG-CD2 3.49Å; F299-L303 VanDerWaalsContact CG-CD2 3.49Å; F299-L303 HydrophobicContact CG-CG 4.12Å; F299-L303 HydrophobicContact CZ-CD2 4.12Å; S300-L303 PolarHBondContact O-N 2.77Å; S300-L303 WeakPolarHBondContact OG-CB 3.39Å; S300-L303 PolarHBondContact OG-N 3.2Å; L303-D305 PolarHBondContact O-N 3Å; L303-L306 PolarHBondContact O-N 3.25Å; L303-L307 HydrophobicContact CD1-CD1 3.66Å; L303-L307 HydrophobicContact CD1-CG 3.92Å; L303-L307 HydrophobicContact CG-CD1 3.84Å; L303-L307 HydrophobicContact CG-CG 4.47Å; L303-L307 WeakPolarHBondContact O-CB 3.35Å; L303-L307 VanDerWaalsContact O-CG 3.28Å; L303-L307 WeakPolarHBondContact O-CG 3.29Å; L303-L307 PolarHBondContact O-N 3.39Å; L303-W334 HydrophobicContact CD1-CD2 4.38Å; L303-W334 HydrophobicContact CD1-CZ2 3.95Å
304	K	98.8	Very high	98.3	Very high	42 Å²	42	53 Å²	53	18%	0.183	27%	0.271	C	S	.	.	H	α-helix	trans	-58.4	-34.4	175.3	-74.8	162.1	174.8	144.5	0	112	F295 P296 S297 F299 S300 N301 K308	F295-K304 HydrophobicContact CB-CD 4.47Å; F295-K304 HydrophobicContact CB-CG 3.92Å; F295-K304 HydrophobicContact CD1-CG 4.32Å; F295-K304 HydrophobicContact CD2-CG 4.29Å; F295-K304 HydrophobicContact CG-CG 3.9Å; P296-K304 WeakPolarHBondContact O-CE 3.47Å; S297-K304 PolarHBondContact O-NZ 3.28Å; S297-K304 VanDerWaalsContact O-NZ 3.08Å; F299-K304 HydrophobicContact CB-CD 4.33Å; F299-K304 HydrophobicContact CB-CG 3.96Å; F299-K304 WeakPolarHBondContact O-CE 3.44Å; F299-K304 PolarHBondContact O-NZ 3.09Å; S300-K304 WeakPolarHBondContact O-CB 3.16Å; S300-K304 WeakPolarHBondContact O-CD 3.35Å; S300-K304 VanDerWaalsContact O-CG 3.28Å; S300-K304 WeakPolarHBondContact O-CG 3.14Å; S300-K304 PolarHBondContact O-N 3.06Å; N301-K304 PolarHBondContact O-N 2.9Å; K304-K308 WeakPolarHBondContact O-CD 3.5Å; K304-K308 WeakPolarHBondContact O-CG 3.39Å; K304-K308 PolarHBondContact O-N 2.91Å
305	D	98.8	Very high	98.2	Very high	70 Å²	70	46.5 Å²	46.5	37%	0.374	25%	0.245	S	C	.	.	H	α-helix	trans	-77.6	-45.9	179.4	-157.7	54.8	0	0	0	112.4	N301 E302 L303 L307 K308 N309 H332	N301-D305 WeakPolarHBondContact O-CB 3.42Å; N301-D305 PolarHBondContact O-N 3.34Å; E302-D305 PolarHBondContact O-N 2.95Å; L303-D305 PolarHBondContact O-N 3Å; D305-L307 VanDerWaalsContact C-N 3.29Å; D305-L307 PolarHBondContact O-N 3.43Å; D305-K308 PolarHBondContact O-N 3.3Å; D305-N309 PolarHBondContact O-N 2.85Å; D305-N309 PolarHBondContact O-ND2 3.19Å; D305-H332 IonicContact OD2-NE2 3.87Å; D305-H332 PolarHBondContact OD2-NE2 2.95Å
306	L	98.9	Very high	98	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-55.4	-47.1	173.8	179.5	59.8	0	0	0	111.1	I266 E302 L303 K308 N309 L310 I329 H332 W334 F335	I266-L306 HydrophobicContact CD1-CD2 4.14Å; E302-L306 PolarHBondContact O-N 2.96Å; L303-L306 PolarHBondContact O-N 3.25Å; L306-K308 PolarHBondContact O-N 2.86Å; L306-N309 PolarHBondContact O-N 3.21Å; L306-N309 VanDerWaalsContact O-N 3.11Å; L306-L310 HydrophobicContact CD1-CD1 3.92Å; L306-L310 HydrophobicContact CD1-CG 4.12Å; L306-L310 HydrophobicContact CD2-CD1 4.43Å; L306-L310 HydrophobicContact CG-CD1 3.88Å; L306-L310 HydrophobicContact CG-CG 4.42Å; L306-L310 PolarHBondContact O-N 3.04Å; L306-I329 HydrophobicContact CD1-CG2 4.49Å; L306-H332 HydrophobicContact CD1-CB 4.19Å; L306-H332 PolarHBondContact N-CE1 3.11Å; L306-W334 HydrophobicContact CB-CB 4.35Å; L306-W334 HydrophobicContact CD2-CB 4.18Å; L306-W334 HydrophobicContact CD2-CD2 4Å; L306-W334 HydrophobicContact CD2-CE3 3.4Å; L306-W334 VanDerWaalsContact CD2-CE3 3.4Å; L306-W334 HydrophobicContact CD2-CG 4.34Å; L306-W334 HydrophobicContact CD2-CZ3 4.04Å; L306-F335 HydrophobicContact CD2-CD2 4.12Å; L306-F335 HydrophobicContact CD2-CE2 3.65Å; L306-F335 HydrophobicContact CD2-CZ 4.45Å
307	L	98.9	Very high	98	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-67.3	-33.1	-177.5	-71.1	173.5	0	0	0	113.2	G263 I266 Y267 F295 F299 L303 D305 N309 L311	G263-L307 WeakPolarHBondContact O-CD2 3.23Å; I266-L307 HydrophobicContact CB-CD2 3.96Å; I266-L307 HydrophobicContact CG2-CD2 3.83Å; I266-L307 HydrophobicContact CG2-CG 4.38Å; Y267-L307 HydrophobicContact CD2-CD1 4.08Å; F295-L307 HydrophobicContact CD1-CD1 4.24Å; F295-L307 HydrophobicContact CE1-CB 3.6Å; F295-L307 HydrophobicContact CE1-CD1 3.9Å; F295-L307 HydrophobicContact CE1-CG 4.42Å; F295-L307 HydrophobicContact CZ-CB 4.09Å; F299-L307 HydrophobicContact CD2-CD1 4Å; F299-L307 HydrophobicContact CE2-CD1 3.57Å; L303-L307 HydrophobicContact CD1-CD1 3.66Å; L303-L307 HydrophobicContact CD1-CG 3.92Å; L303-L307 HydrophobicContact CG-CD1 3.84Å; L303-L307 HydrophobicContact CG-CG 4.47Å; L303-L307 WeakPolarHBondContact O-CB 3.35Å; L303-L307 VanDerWaalsContact O-CG 3.28Å; L303-L307 WeakPolarHBondContact O-CG 3.29Å; L303-L307 PolarHBondContact O-N 3.39Å; D305-L307 VanDerWaalsContact C-N 3.29Å; D305-L307 PolarHBondContact O-N 3.43Å; L307-N309 PolarHBondContact O-N 3.48Å; L307-L311 HydrophobicContact CD2-CD1 4.5Å; L307-L311 WeakPolarHBondContact O-CA 3.45Å; L307-L311 VanDerWaalsContact O-CB 3.22Å; L307-L311 WeakPolarHBondContact O-CB 3.35Å; L307-L311 PolarHBondContact O-N 3.06Å
308	K	98.6	Very high	98.1	Very high	109 Å²	109	48.3 Å²	48.3	47%	0.474	25%	0.245	S	C	.	.	H	α-helix	trans	-64.1	-30.4	171.7	-73.5	163.6	-168.7	169.6	0	112.8	F295 K304 D305 L306	F295-K308 HydrophobicContact CE2-CG 4.02Å; F295-K308 HydrophobicContact CZ-CG 4.05Å; K304-K308 WeakPolarHBondContact O-CD 3.5Å; K304-K308 WeakPolarHBondContact O-CG 3.39Å; K304-K308 PolarHBondContact O-N 2.91Å; D305-K308 PolarHBondContact O-N 3.3Å; L306-K308 PolarHBondContact O-N 2.86Å
309	N	98.7	Very high	98.1	Very high	35 Å²	35	45.9 Å²	45.9	19%	0.187	23%	0.233	C	C	.	.	H	α-helix	trans	-87.1	-27	-178.1	-74.5	-71.6	0	0	0	112.9	D305 L306 L307 R318 Y319	D305-N309 PolarHBondContact O-N 2.85Å; D305-N309 PolarHBondContact O-ND2 3.19Å; L306-N309 PolarHBondContact O-N 3.21Å; L306-N309 VanDerWaalsContact O-N 3.11Å; L307-N309 PolarHBondContact O-N 3.48Å; N309-R318 WeakPolarHBondContact O-CA 3.33Å; N309-Y319 HydrophobicContact CB-CD1 3.59Å; N309-Y319 HydrophobicContact CB-CD2 3.86Å; N309-Y319 HydrophobicContact CB-CE1 3.66Å; N309-Y319 HydrophobicContact CB-CE2 3.93Å; N309-Y319 HydrophobicContact CB-CG 3.69Å; N309-Y319 PolarHBondContact O-N 2.81Å; N309-Y319 VanDerWaalsContact OD1-CE1 3.3Å; N309-Y319 WeakPolarHBondContact OD1-CE1 3.25Å
310	L	98.8	Very high	98.1	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-84.5	-46.8	171.5	-66.3	175	0	0	0	112.7	W259 L262 I266 L306 Q312 R318 I329	W259-L310 HydrophobicContact CB-CD2 4.47Å; L262-L310 HydrophobicContact CD2-CD1 4.32Å; L262-L310 HydrophobicContact CG-CD1 4.3Å; I266-L310 HydrophobicContact CD1-CD1 3.93Å; L306-L310 HydrophobicContact CD1-CD1 3.92Å; L306-L310 HydrophobicContact CD1-CG 4.12Å; L306-L310 HydrophobicContact CD2-CD1 4.43Å; L306-L310 HydrophobicContact CG-CD1 3.88Å; L306-L310 HydrophobicContact CG-CG 4.42Å; L306-L310 PolarHBondContact O-N 3.04Å; L310-Q312 PolarHBondContact O-N 3.5Å; L310-R318 VanDerWaalsContact O-CD 3.29Å; L310-R318 WeakPolarHBondContact O-CD 3.36Å; L310-R318 VanDerWaalsContact O-CG 3.29Å; L310-R318 WeakPolarHBondContact O-CG 3.24Å; L310-I329 HydrophobicContact CD2-CD1 3.77Å; L310-I329 HydrophobicContact CD2-CG1 4.09Å
311	L	98.7	Very high	98	Very high	9 Å²	9	46.5 Å²	46.5	5%	0.047	24%	0.235	C	C	.	.	S	Bend	trans	-81.4	37.1	176.8	-58.9	175.7	0	0	0	112.1	W260 V264 P275 F276 V293 L307	W260-L311 HydrophobicContact CD2-CD2 4.08Å; W260-L311 HydrophobicContact CE3-CD2 4.33Å; W260-L311 HydrophobicContact CH2-CB 4.47Å; W260-L311 HydrophobicContact CZ2-CD2 4.25Å; W260-L311 HydrophobicContact CZ3-CB 4.24Å; W260-L311 WeakPolarHBondContact CZ3-O 2.86Å; V264-L311 HydrophobicContact CG2-CD2 3.69Å; P275-L311 HydrophobicContact CB-CD1 4.08Å; P275-L311 HydrophobicContact CG-CD1 3.97Å; F276-L311 HydrophobicContact CE2-CD2 4.4Å; V293-L311 HydrophobicContact CG1-CD1 4.35Å; V293-L311 HydrophobicContact CG2-CB 4.16Å; V293-L311 HydrophobicContact CG2-CD1 3.81Å; L307-L311 HydrophobicContact CD2-CD1 4.5Å; L307-L311 WeakPolarHBondContact O-CA 3.45Å; L307-L311 VanDerWaalsContact O-CB 3.22Å; L307-L311 WeakPolarHBondContact O-CB 3.35Å; L307-L311 PolarHBondContact O-N 3.06Å
312	Q	98.3	Very high	97.9	Very high	57 Å²	57	43.5 Å²	43.5	27%	0.266	22%	0.219	S	C	.	.			trans	-87.2	119.3	179.2	179.5	51.1	-104.9	0	0	110.1	L310 D314 K317 R318	L310-Q312 PolarHBondContact O-N 3.5Å; Q312-D314 VanDerWaalsContact C-N 3.31Å; Q312-D314 HydrophobicContact CG-CB 4.34Å; Q312-D314 WeakPolarHBondContact CG-O 3.32Å; Q312-D314 PolarHBondContact O-N 3.45Å; Q312-K317 HydrophobicContact CG-CB 3.75Å; Q312-R318 HydrophobicContact CB-CB 4.08Å; Q312-R318 HydrophobicContact CB-CG 4.21Å; Q312-R318 HydrophobicContact CG-CB 4.47Å; Q312-R318 PolarHBondContact O-NE 2.87Å; Q312-R318 PolarHBondContact O-NH2 3.28Å
313	V	97.9	Very high	97.8	Very high	48 Å²	48	49.6 Å²	49.6	29%	0.291	24%	0.244	S	C	.	.	S	Bend	trans	-67.6	-33.5	179.3	-180	0	0	0	0	111.3	P245 W260 G291 L315	P245-V313 HydrophobicContact CB-CG1 3.98Å; P245-V313 HydrophobicContact CG-CB 4.37Å; P245-V313 HydrophobicContact CG-CG1 4.08Å; P245-V313 HydrophobicContact CG-CG2 4.08Å; W260-V313 HydrophobicContact CH2-CG2 4.33Å; W260-V313 HydrophobicContact CZ3-CG2 4.23Å; G291-V313 VanDerWaalsContact CA-CG2 3.46Å; V313-L315 PolarHBondContact O-N 2.91Å
314	D	96.5	Very high	97.7	Very high	52 Å²	52	54.4 Å²	54.4	28%	0.278	27%	0.269	S	S	.	.			trans	-77.7	102.6	174	-172.5	-14.9	0	0	0	111.5	Q312 T316 K317 R318	Q312-D314 VanDerWaalsContact C-N 3.31Å; Q312-D314 HydrophobicContact CG-CB 4.34Å; Q312-D314 WeakPolarHBondContact CG-O 3.32Å; Q312-D314 PolarHBondContact O-N 3.45Å; D314-T316 VanDerWaalsContact CG-OG1 3.23Å; D314-T316 PolarHBondContact O-N 3.48Å; D314-T316 WeakPolarHBondContact OD1-CB 3.28Å; D314-T316 PolarHBondContact OD1-N 2.78Å; D314-T316 PolarHBondContact OD1-OG1 2.73Å; D314-T316 PolarHBondContact OD2-OG1 3.11Å; D314-K317 HydrophobicContact CB-CB 4.31Å; D314-K317 HydrophobicContact CB-CD 4.38Å; D314-K317 HydrophobicContact CB-CG 4.32Å; D314-K317 WeakPolarHBondContact O-CA 3.36Å; D314-K317 PolarHBondContact O-N 2.59Å; D314-K317 IonicContact OD2-NZ 3.45Å; D314-K317 PolarHBondContact OD2-NZ 3.03Å; D314-R318 PolarHBondContact O-N 3.32Å
315	L	94.1	Very high	97.6	Very high	43 Å²	43	53.2 Å²	53.2	23%	0.225	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-45.7	-31.9	173.1	-80.8	168.9	0	0	0	114.6	E246 A256 V313 K317 N321	E246-L315 HydrophobicContact CB-CD1 4.02Å; E246-L315 HydrophobicContact CG-CD1 4.07Å; E246-L315 HydrophobicContact CG-CD2 4.33Å; E246-L315 HydrophobicContact CG-CG 4.49Å; E246-L315 WeakPolarHBondContact OE1-CD2 3.04Å; A256-L315 HydrophobicContact CB-CD2 3.4Å; A256-L315 VanDerWaalsContact CB-CD2 3.4Å; V313-L315 PolarHBondContact O-N 2.91Å; L315-K317 PolarHBondContact O-N 2.86Å; L315-N321 PolarHBondContact O-ND2 3.27Å
316	T	95.1	Very high	97.5	Very high	104 Å²	104	51.1 Å²	51.1	64%	0.638	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-9.8	-179.7	69.7	0	0	0	0	113.5	D314 L322	D314-T316 VanDerWaalsContact CG-OG1 3.23Å; D314-T316 PolarHBondContact O-N 3.48Å; D314-T316 WeakPolarHBondContact OD1-CB 3.28Å; D314-T316 PolarHBondContact OD1-N 2.78Å; D314-T316 PolarHBondContact OD1-OG1 2.73Å; D314-T316 PolarHBondContact OD2-OG1 3.11Å; T316-L322 VanDerWaalsContact O-CD2 3.26Å; T316-L322 WeakPolarHBondContact O-CD2 3.39Å
317	K	98	Very high	97.4	Very high	117 Å²	117	52.8 Å²	52.8	51%	0.509	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.4	-4.1	-178.5	-59.6	-173.9	-179.2	93.5	0	113.3	Q312 D314 L315	Q312-K317 HydrophobicContact CG-CB 3.75Å; D314-K317 HydrophobicContact CB-CB 4.31Å; D314-K317 HydrophobicContact CB-CD 4.38Å; D314-K317 HydrophobicContact CB-CG 4.32Å; D314-K317 WeakPolarHBondContact O-CA 3.36Å; D314-K317 PolarHBondContact O-N 2.59Å; D314-K317 IonicContact OD2-NZ 3.45Å; D314-K317 PolarHBondContact OD2-NZ 3.03Å; L315-K317 PolarHBondContact O-N 2.86Å
318	R	98.6	Very high	97.4	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.28	C	S	.	.	S	Bend	trans	-77.8	129.8	-179.4	-163.9	-176.6	-58.7	154	5.7	111.5	E246 A256 N309 L310 Q312 D314 N321 L322	E246-R318 IonicContact OE1-CZ 3.03Å; E246-R318 IonicContact OE1-NH1 2.81Å; E246-R318 PolarHBondContact OE1-NH1 2.86Å; E246-R318 IonicContact OE1-NH2 2.63Å; E246-R318 PolarHBondContact OE1-NH2 3.47Å; E246-R318 IonicContact OE2-CZ 3.78Å; E246-R318 IonicContact OE2-NH1 2.95Å; E246-R318 IonicContact OE2-NH2 2.92Å; E246-R318 PolarHBondContact OE2-NH2 2.84Å; A256-R318 PolarHBondContact O-NH1 3.43Å; N309-R318 WeakPolarHBondContact O-CA 3.33Å; L310-R318 VanDerWaalsContact O-CD 3.29Å; L310-R318 WeakPolarHBondContact O-CD 3.36Å; L310-R318 VanDerWaalsContact O-CG 3.29Å; L310-R318 WeakPolarHBondContact O-CG 3.24Å; Q312-R318 HydrophobicContact CB-CB 4.08Å; Q312-R318 HydrophobicContact CB-CG 4.21Å; Q312-R318 HydrophobicContact CG-CB 4.47Å; Q312-R318 PolarHBondContact O-NE 2.87Å; Q312-R318 PolarHBondContact O-NH2 3.28Å; D314-R318 PolarHBondContact O-N 3.32Å; R318-N321 PolarHBondContact O-N 3.36Å; R318-L322 WeakPolarHBondContact O-CG 3.43Å
319	Y	98.6	Very high	97.4	Very high	43 Å²	43	49 Å²	49	17%	0.169	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	152	172.9	-83.8	23.1	0	0	0	111.5	N309 N321 L322 D328 I329 H332	N309-Y319 HydrophobicContact CB-CD1 3.59Å; N309-Y319 HydrophobicContact CB-CD2 3.86Å; N309-Y319 HydrophobicContact CB-CE1 3.66Å; N309-Y319 HydrophobicContact CB-CE2 3.93Å; N309-Y319 HydrophobicContact CB-CG 3.69Å; N309-Y319 PolarHBondContact O-N 2.81Å; N309-Y319 VanDerWaalsContact OD1-CE1 3.3Å; N309-Y319 WeakPolarHBondContact OD1-CE1 3.25Å; Y319-N321 PolarHBondContact O-N 3.29Å; Y319-L322 HydrophobicContact CD1-CD1 3.75Å; Y319-L322 HydrophobicContact CE1-CD1 4.01Å; Y319-D328 HydrophobicContact CD1-CB 4.17Å; Y319-D328 HydrophobicContact CD2-CB 3.91Å; Y319-D328 WeakPolarHBondContact CD2-O 3.29Å; Y319-D328 HydrophobicContact CE1-CB 4.37Å; Y319-D328 HydrophobicContact CE2-CB 4.1Å; Y319-D328 WeakPolarHBondContact CE2-O 3.33Å; Y319-D328 HydrophobicContact CG-CB 3.95Å; Y319-I329 HydrophobicContact CD2-CG1 4.23Å; Y319-H332 AromaticContact CE2-CD2 3.93Å
320	G	97.9	Very high	97.4	Very high	4 Å²	4	48.9 Å²	48.9	4%	0.041	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.9	-20.8	-170	0	0	0	0	0	114.2	W259 G325	W259-G320 PolarHBondContact NE1-O 2.89Å; G320-G325 WeakPolarHBondContact CA-O 3.16Å; G320-G325 PolarHBondContact N-O 3.12Å; G320-G325 VanDerWaalsContact N-O 3.16Å
321	N	97.1	Very high	97.3	Very high	47 Å²	47	55.2 Å²	55.2	25%	0.251	29%	0.289	S	S	.	.	S	Bend	trans	-116.8	4.2	179	-165.7	65.4	0	0	0	113.8	N254 A256 L315 R318 Y319	N254-N321 PolarHBondContact ND2-OD1 2.83Å; A256-N321 HydrophobicContact CB-CB 3.82Å; L315-N321 PolarHBondContact O-ND2 3.27Å; R318-N321 PolarHBondContact O-N 3.36Å; Y319-N321 PolarHBondContact O-N 3.29Å
322	L	97	Very high	97.3	Very high	54 Å²	54	55.4 Å²	55.4	28%	0.283	29%	0.29	S	S	.	.	S	Bend	trans	-81.6	-179.8	172.8	-54.1	-173.5	0	0	0	111.8	T316 R318 Y319 N324 G325 D328	T316-L322 VanDerWaalsContact O-CD2 3.26Å; T316-L322 WeakPolarHBondContact O-CD2 3.39Å; R318-L322 WeakPolarHBondContact O-CG 3.43Å; Y319-L322 HydrophobicContact CD1-CD1 3.75Å; Y319-L322 HydrophobicContact CE1-CD1 4.01Å; L322-N324 VanDerWaalsContact C-N 3.27Å; L322-N324 PolarHBondContact O-N 3.03Å; L322-G325 WeakPolarHBondContact O-CA 3.47Å; L322-G325 PolarHBondContact O-N 3.09Å; L322-D328 WeakPolarHBondContact CB-OD2 3.42Å
323	K	96.2	Very high	97.3	Very high	208 Å²	208	60.7 Å²	60.7	90%	0.904	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-35.5	179.5	-175	-179.3	175.2	-173.3	0	113.7	G325	K323-G325 VanDerWaalsContact C-N 3.34Å
324	N	95.6	Very high	97.4	Very high	100 Å²	100	58.5 Å²	58.5	54%	0.535	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-3	178.8	-38.7	-43	0	0	0	112	L322 V326 A327 D328	L322-N324 VanDerWaalsContact C-N 3.27Å; L322-N324 PolarHBondContact O-N 3.03Å; N324-V326 PolarHBondContact O-N 2.82Å; N324-A327 HydrophobicContact CB-CB 4.15Å; N324-A327 WeakPolarHBondContact O-CB 3.45Å; N324-A327 PolarHBondContact O-N 3.32Å; N324-D328 WeakPolarHBondContact CB-OD2 3.49Å; N324-D328 PolarHBondContact ND2-OD1 3.11Å
325	G	96.4	Very high	97.5	Very high	17 Å²	17	56.1 Å²	56.1	18%	0.175	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.7	-120.5	178.2	0	0	0	0	0	112.6	G320 L322 K323 A327	G320-G325 WeakPolarHBondContact CA-O 3.16Å; G320-G325 PolarHBondContact N-O 3.12Å; G320-G325 VanDerWaalsContact N-O 3.16Å; L322-G325 WeakPolarHBondContact O-CA 3.47Å; L322-G325 PolarHBondContact O-N 3.09Å; K323-G325 VanDerWaalsContact C-N 3.34Å; G325-A327 VanDerWaalsContact C-N 3.27Å; G325-A327 PolarHBondContact O-N 2.82Å
326	V	97.2	Very high	97.6	Very high	27 Å²	27	57.4 Å²	57.4	16%	0.164	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-21.3	-179.6	69.3	0	0	0	0	113.4	V189 E193 W259 N324 D328 I329 K330	V189-V326 HydrophobicContact CG1-CG2 3.74Å; E193-V326 HydrophobicContact CB-CG2 4.26Å; E193-V326 HydrophobicContact CG-CG1 3.9Å; E193-V326 HydrophobicContact CG-CG2 4.49Å; E193-V326 WeakPolarHBondContact OE1-CG1 3.1Å; W259-V326 HydrophobicContact CH2-CB 4.21Å; W259-V326 HydrophobicContact CH2-CG2 3.52Å; W259-V326 HydrophobicContact CZ2-CB 4.12Å; W259-V326 HydrophobicContact CZ2-CG2 3.94Å; W259-V326 HydrophobicContact CZ3-CG2 4.29Å; N324-V326 PolarHBondContact O-N 2.82Å; V326-D328 PolarHBondContact O-N 2.85Å; V326-I329 WeakPolarHBondContact O-CA 3.13Å; V326-I329 WeakPolarHBondContact O-CB 3.47Å; V326-I329 PolarHBondContact O-N 3.43Å; V326-K330 HydrophobicContact CG1-CD 4.26Å; V326-K330 HydrophobicContact CG2-CD 3.89Å; V326-K330 HydrophobicContact CG2-CG 4.11Å; V326-K330 PolarHBondContact O-N 2.87Å
327	A	97.2	Very high	97.6	Very high	35 Å²	35	56.7 Å²	56.7	29%	0.289	31%	0.309	S	S	.	.	H	α-helix	trans	-65.8	-27.6	180	0	0	0	0	0	112.5	N324 G325 I329 K330 N331	N324-A327 HydrophobicContact CB-CB 4.15Å; N324-A327 WeakPolarHBondContact O-CB 3.45Å; N324-A327 PolarHBondContact O-N 3.32Å; G325-A327 VanDerWaalsContact C-N 3.27Å; G325-A327 PolarHBondContact O-N 2.82Å; A327-I329 PolarHBondContact O-N 3.08Å; A327-K330 PolarHBondContact O-N 3.43Å; A327-N331 VanDerWaalsContact O-CB 3.25Å; A327-N331 WeakPolarHBondContact O-CB 3.44Å; A327-N331 PolarHBondContact O-N 2.98Å; A327-N331 PolarHBondContact O-ND2 2.84Å; A327-N331 VanDerWaalsContact O-ND2 3.13Å
328	D	98.3	Very high	97.5	Very high	30 Å²	30	52.2 Å²	52.2	16%	0.16	29%	0.291	C	S	.	.	H	α-helix	trans	-64.6	-28.3	172	-62.9	-49.5	0	0	0	111.8	Y319 L322 N324 V326	Y319-D328 HydrophobicContact CD1-CB 4.17Å; Y319-D328 HydrophobicContact CD2-CB 3.91Å; Y319-D328 WeakPolarHBondContact CD2-O 3.29Å; Y319-D328 HydrophobicContact CE1-CB 4.37Å; Y319-D328 HydrophobicContact CE2-CB 4.1Å; Y319-D328 WeakPolarHBondContact CE2-O 3.33Å; Y319-D328 HydrophobicContact CG-CB 3.95Å; L322-D328 WeakPolarHBondContact CB-OD2 3.42Å; N324-D328 WeakPolarHBondContact CB-OD2 3.49Å; N324-D328 PolarHBondContact ND2-OD1 3.11Å; V326-D328 PolarHBondContact O-N 2.85Å
329	I	98.7	Very high	97.4	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-81.8	-51.5	174.2	-54.8	172.3	0	0	0	110	V189 W259 L306 L310 Y319 V326 A327 N331 H332 F335	V189-I329 HydrophobicContact CG1-CG2 4.44Å; V189-I329 HydrophobicContact CG2-CG2 3.8Å; W259-I329 HydrophobicContact CD2-CD1 3.7Å; W259-I329 HydrophobicContact CE3-CD1 3.27Å; W259-I329 HydrophobicContact CG-CD1 4.35Å; W259-I329 HydrophobicContact CH2-CD1 4.3Å; W259-I329 HydrophobicContact CZ3-CD1 3.61Å; L306-I329 HydrophobicContact CD1-CG2 4.49Å; L310-I329 HydrophobicContact CD2-CD1 3.77Å; L310-I329 HydrophobicContact CD2-CG1 4.09Å; Y319-I329 HydrophobicContact CD2-CG1 4.23Å; V326-I329 WeakPolarHBondContact O-CA 3.13Å; V326-I329 WeakPolarHBondContact O-CB 3.47Å; V326-I329 PolarHBondContact O-N 3.43Å; A327-I329 PolarHBondContact O-N 3.08Å; I329-N331 VanDerWaalsContact C-N 3.27Å; I329-N331 PolarHBondContact O-N 3.05Å; I329-H332 VanDerWaalsContact O-CB 3.29Å; I329-H332 WeakPolarHBondContact O-CB 3.26Å; I329-H332 PolarHBondContact O-N 2.92Å; I329-F335 HydrophobicContact CG2-CD2 4.18Å; I329-F335 HydrophobicContact CG2-CE2 3.67Å; I329-F335 VanDerWaalsContact O-CD2 3.32Å; I329-F335 WeakPolarHBondContact O-CD2 3.42Å
330	K	98.2	Very high	97.2	Very high	31 Å²	31	56 Å²	56	14%	0.135	31%	0.312	C	S	.	.	H	α-helix	trans	-63.2	-31.2	-174.5	-71	172.3	68.7	169.3	0	113.5	V189 E193 V326 A327 W340	V189-K330 HydrophobicContact CG1-CD 4.17Å; V189-K330 HydrophobicContact CG1-CG 3.69Å; E193-K330 IonicContact OE1-NZ 2.69Å; E193-K330 PolarHBondContact OE1-NZ 3.15Å; E193-K330 WeakPolarHBondContact OE2-CD 3.45Å; E193-K330 WeakPolarHBondContact OE2-CE 3.46Å; E193-K330 IonicContact OE2-NZ 2.59Å; E193-K330 PolarHBondContact OE2-NZ 3.46Å; V326-K330 HydrophobicContact CG1-CD 4.26Å; V326-K330 HydrophobicContact CG2-CD 3.89Å; V326-K330 HydrophobicContact CG2-CG 4.11Å; V326-K330 PolarHBondContact O-N 2.87Å; A327-K330 PolarHBondContact O-N 3.43Å; K330-W340 HydrophobicContact CB-CD2 4.43Å; K330-W340 HydrophobicContact CB-CH2 4.48Å; K330-W340 HydrophobicContact CB-CZ2 3.85Å; K330-W340 HydrophobicContact CG-CD2 4.1Å; K330-W340 HydrophobicContact CG-CE3 4.23Å; K330-W340 HydrophobicContact CG-CH2 3.91Å; K330-W340 HydrophobicContact CG-CZ2 3.77Å; K330-W340 HydrophobicContact CG-CZ3 4.12Å; K330-W340 PolarHBondContact O-NE1 3.3Å
331	N	98	Very high	97	Very high	133 Å²	133	58.1 Å²	58.1	71%	0.711	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	3.1	177.1	-59.2	-36.5	0	0	0	113.6	A327 I329	A327-N331 VanDerWaalsContact O-CB 3.25Å; A327-N331 WeakPolarHBondContact O-CB 3.44Å; A327-N331 PolarHBondContact O-N 2.98Å; A327-N331 PolarHBondContact O-ND2 2.84Å; A327-N331 VanDerWaalsContact O-ND2 3.13Å; I329-N331 VanDerWaalsContact C-N 3.27Å; I329-N331 PolarHBondContact O-N 3.05Å
332	H	98.8	Very high	96.9	Very high	13 Å²	13	56.5 Å²	56.5	6%	0.06	32%	0.315	C	S	.	.	S	Bend	trans	-66.6	143.1	179.1	-172.3	-96.1	0	0	0	111.2	E302 D305 L306 Y319 I329 W334 F335 G336	E302-H332 PolarHBondContact O-CE1 3.47Å; E302-H332 VanDerWaalsContact O-CE1 3.27Å; D305-H332 IonicContact OD2-NE2 3.87Å; D305-H332 PolarHBondContact OD2-NE2 2.95Å; L306-H332 HydrophobicContact CD1-CB 4.19Å; L306-H332 PolarHBondContact N-CE1 3.11Å; Y319-H332 AromaticContact CE2-CD2 3.93Å; I329-H332 VanDerWaalsContact O-CB 3.29Å; I329-H332 WeakPolarHBondContact O-CB 3.26Å; I329-H332 PolarHBondContact O-N 2.92Å; H332-W334 PolarHBondContact ND1-N 3.16Å; H332-W334 VanDerWaalsContact ND1-N 3.18Å; H332-W334 PolarHBondContact O-N 3.3Å; H332-F335 WeakPolarHBondContact O-CA 3.26Å; H332-F335 PolarHBondContact O-N 3.03Å; H332-G336 PolarHBondContact O-N 2.89Å
333	K	98.5	Very high	96.8	Very high	168 Å²	168	54.1 Å²	54.1	73%	0.73	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-52.6	-35.9	-176.1	-64.3	-172.9	-177.4	-179.4	0	113.8	E302 F335 G336	E302-K333 HydrophobicContact CG-CB 4.09Å; K333-F335 PolarHBondContact O-N 2.99Å; K333-G336 PolarHBondContact O-N 2.69Å
334	W	98.7	Very high	96.8	Very high	3 Å²	3	45.7 Å²	45.7	1%	0.011	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-63.5	-26.9	177.1	-168.7	74.6	0	0	0	113.6	E178 R182 A185 I266 E302 L303 L306 H332	E178-W334 HydrophobicContact CB-CZ2 4.17Å; E178-W334 PolarHBondContact OE2-NE1 3.49Å; R182-W334 VanDerWaalsContact CA-CH2 3.43Å; R182-W334 HydrophobicContact CB-CE3 4.47Å; R182-W334 HydrophobicContact CB-CH2 3.69Å; R182-W334 HydrophobicContact CB-CZ2 4.03Å; R182-W334 HydrophobicContact CB-CZ3 3.91Å; R182-W334 HydrophobicContact CG-CE3 4.39Å; R182-W334 HydrophobicContact CG-CH2 4.43Å; R182-W334 HydrophobicContact CG-CZ3 4.16Å; R182-W334 VanDerWaalsContact CZ-O 3.32Å; R182-W334 PolarHBondContact NE-O 2.9Å; R182-W334 PolarHBondContact NH2-O 2.81Å; A185-W334 HydrophobicContact CB-CH2 4.48Å; A185-W334 HydrophobicContact CB-CZ3 4.13Å; I266-W334 HydrophobicContact CD1-CZ3 4.41Å; I266-W334 HydrophobicContact CG2-CH2 3.99Å; I266-W334 HydrophobicContact CG2-CZ3 4.27Å; E302-W334 HydrophobicContact CB-CB 3.98Å; E302-W334 HydrophobicContact CB-CG 4.42Å; L303-W334 HydrophobicContact CD1-CD2 4.38Å; L303-W334 HydrophobicContact CD1-CZ2 3.95Å; L306-W334 HydrophobicContact CB-CB 4.35Å; L306-W334 HydrophobicContact CD2-CB 4.18Å; L306-W334 HydrophobicContact CD2-CD2 4Å; L306-W334 HydrophobicContact CD2-CE3 3.4Å; L306-W334 VanDerWaalsContact CD2-CE3 3.4Å; L306-W334 HydrophobicContact CD2-CG 4.34Å; L306-W334 HydrophobicContact CD2-CZ3 4.04Å; H332-W334 PolarHBondContact ND1-N 3.16Å; H332-W334 VanDerWaalsContact ND1-N 3.18Å; H332-W334 PolarHBondContact O-N 3.3Å
335	F	98.6	Very high	96.7	Very high	1 Å²	1	43.6 Å²	43.6	0%	0.004	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-93.5	3.9	171.8	-75.4	-73.7	0	0	0	113.3	R182 A185 A186 V189 L306 I329 H332 K333 S337 T338 W340	R182-F335 HydrophobicContact CG-CD1 3.83Å; R182-F335 HydrophobicContact CG-CE1 4.09Å; A185-F335 HydrophobicContact CB-CE1 4.01Å; A185-F335 HydrophobicContact CB-CZ 3.79Å; A186-F335 HydrophobicContact CB-CE1 4.16Å; V189-F335 HydrophobicContact CG2-CZ 4.12Å; L306-F335 HydrophobicContact CD2-CD2 4.12Å; L306-F335 HydrophobicContact CD2-CE2 3.65Å; L306-F335 HydrophobicContact CD2-CZ 4.45Å; I329-F335 HydrophobicContact CG2-CD2 4.18Å; I329-F335 HydrophobicContact CG2-CE2 3.67Å; I329-F335 VanDerWaalsContact O-CD2 3.32Å; I329-F335 WeakPolarHBondContact O-CD2 3.42Å; H332-F335 WeakPolarHBondContact O-CA 3.26Å; H332-F335 PolarHBondContact O-N 3.03Å; K333-F335 PolarHBondContact O-N 2.99Å; F335-S337 PolarHBondContact O-N 3.02Å; F335-T338 HydrophobicContact CD1-CG2 4.49Å; F335-T338 WeakPolarHBondContact O-CB 3.41Å; F335-T338 PolarHBondContact O-N 2.8Å; F335-T338 PolarHBondContact O-OG1 2.77Å; F335-W340 HydrophobicContact CB-CZ2 3.78Å; F335-W340 AromaticContact CD1-CH2 3.65Å; F335-W340 HydrophobicContact CD1-CH2 3.65Å; F335-W340 AromaticContact CD1-CZ2 3.75Å; F335-W340 HydrophobicContact CD1-CZ2 3.75Å; F335-W340 HydrophobicContact CD2-CH2 4.47Å; F335-W340 HydrophobicContact CD2-CZ2 4.41Å; F335-W340 AromaticContact CE1-CH2 3.85Å; F335-W340 HydrophobicContact CE1-CH2 3.85Å; F335-W340 HydrophobicContact CE1-CZ2 4.41Å; F335-W340 AromaticContact CG-CH2 3.99Å; F335-W340 HydrophobicContact CG-CH2 3.99Å; F335-W340 AromaticContact CG-CZ2 3.75Å; F335-W340 HydrophobicContact CG-CZ2 3.75Å; F335-W340 HydrophobicContact CZ-CH2 4.33Å
336	G	96.5	Very high	96.5	Very high	71 Å²	71	46.1 Å²	46.1	73%	0.732	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-7.6	-173.9	0	0	0	0	0	116.5	H332 K333	H332-G336 PolarHBondContact O-N 2.89Å; K333-G336 PolarHBondContact O-N 2.69Å
337	S	94.6	Very high	96.3	Very high	88 Å²	88	51.4 Å²	51.4	62%	0.615	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.7	20.3	171.7	80.5	0	0	0	0	113.6	R182 F335	R182-S337 PolarHBondContact NH1-OG 3.28Å; R182-S337 VanDerWaalsContact NH1-OG 3.14Å; F335-S337 PolarHBondContact O-N 3.02Å
338	T	97	Very high	96.1	Very high	23 Å²	23	52.7 Å²	52.7	14%	0.141	28%	0.28	C	S	.	.			trans	-110.5	113	-170.1	-43.5	0	0	0	0	110.6	A186 F335 W340 I343	A186-T338 HydrophobicContact CB-CG2 3.73Å; F335-T338 HydrophobicContact CD1-CG2 4.49Å; F335-T338 WeakPolarHBondContact O-CB 3.41Å; F335-T338 PolarHBondContact O-N 2.8Å; F335-T338 PolarHBondContact O-OG1 2.77Å; T338-W340 HydrophobicContact CG2-CD2 4.19Å; T338-W340 HydrophobicContact CG2-CE3 4.4Å; T338-W340 HydrophobicContact CG2-CH2 4.39Å; T338-W340 HydrophobicContact CG2-CZ2 4.16Å; T338-W340 PolarHBondContact O-N 2.72Å; T338-I343 HydrophobicContact CG2-CG1 4.18Å
339	D	95.7	Very high	95.5	Very high	87 Å²	87	56.4 Å²	56.4	47%	0.465	30%	0.304	S	S	.	.			trans	-80.7	103	165.4	-176.4	-21.9	0	0	0	109	I341 A342 I343	D339-I341 VanDerWaalsContact C-N 3.29Å; D339-I341 PolarHBondContact O-N 3.19Å; D339-I341 PolarHBondContact OD1-N 3.2Å; D339-A342 HydrophobicContact CB-CB 3.89Å; D339-A342 PolarHBondContact OD1-N 2.91Å; D339-A342 WeakPolarHBondContact OD2-CB 3.4Å; D339-I343 WeakPolarHBondContact O-CB 3.42Å; D339-I343 WeakPolarHBondContact O-CG1 3.48Å; D339-I343 PolarHBondContact O-N 3.14Å
340	W	95.5	Very high	94.6	Very high	35 Å²	35	56.8 Å²	56.8	13%	0.133	31%	0.307	C	S	.	.	H	α-helix	trans	-64.6	-31.3	-178.7	-64.3	100.8	0	0	0	113.2	A186 V189 L190 K330 F335 T338 Y344	A186-W340 HydrophobicContact CB-CE3 4.37Å; A186-W340 HydrophobicContact CB-CH2 4.06Å; A186-W340 HydrophobicContact CB-CZ3 3.71Å; V189-W340 HydrophobicContact CB-CH2 4.09Å; V189-W340 HydrophobicContact CB-CZ3 3.87Å; V189-W340 HydrophobicContact CG1-CH2 3.83Å; V189-W340 HydrophobicContact CG1-CZ3 3.68Å; V189-W340 HydrophobicContact CG2-CH2 4.45Å; L190-W340 HydrophobicContact CD1-CE3 4.03Å; L190-W340 HydrophobicContact CD2-CE3 3.98Å; L190-W340 HydrophobicContact CG-CE3 3.81Å; L190-W340 HydrophobicContact CG-CZ3 4.19Å; K330-W340 HydrophobicContact CB-CD2 4.43Å; K330-W340 HydrophobicContact CB-CH2 4.48Å; K330-W340 HydrophobicContact CB-CZ2 3.85Å; K330-W340 HydrophobicContact CG-CD2 4.1Å; K330-W340 HydrophobicContact CG-CE3 4.23Å; K330-W340 HydrophobicContact CG-CH2 3.91Å; K330-W340 HydrophobicContact CG-CZ2 3.77Å; K330-W340 HydrophobicContact CG-CZ3 4.12Å; K330-W340 PolarHBondContact O-NE1 3.3Å; F335-W340 HydrophobicContact CB-CZ2 3.78Å; F335-W340 AromaticContact CD1-CH2 3.65Å; F335-W340 HydrophobicContact CD1-CH2 3.65Å; F335-W340 AromaticContact CD1-CZ2 3.75Å; F335-W340 HydrophobicContact CD1-CZ2 3.75Å; F335-W340 HydrophobicContact CD2-CH2 4.47Å; F335-W340 HydrophobicContact CD2-CZ2 4.41Å; F335-W340 AromaticContact CE1-CH2 3.85Å; F335-W340 HydrophobicContact CE1-CH2 3.85Å; F335-W340 HydrophobicContact CE1-CZ2 4.41Å; F335-W340 AromaticContact CG-CH2 3.99Å; F335-W340 HydrophobicContact CG-CH2 3.99Å; F335-W340 AromaticContact CG-CZ2 3.75Å; F335-W340 HydrophobicContact CG-CZ2 3.75Å; F335-W340 HydrophobicContact CZ-CH2 4.33Å; T338-W340 HydrophobicContact CG2-CD2 4.19Å; T338-W340 HydrophobicContact CG2-CE3 4.4Å; T338-W340 HydrophobicContact CG2-CH2 4.39Å; T338-W340 HydrophobicContact CG2-CZ2 4.16Å; T338-W340 PolarHBondContact O-N 2.72Å; W340-Y344 WeakPolarHBondContact O-CB 3.46Å; W340-Y344 PolarHBondContact O-N 3.47Å; W340-Y344 VanDerWaalsContact O-N 3.09Å
341	I	94	Very high	93.2	Very high	50 Å²	50	56.9 Å²	56.9	26%	0.256	31%	0.311	S	S	.	.	H	α-helix	trans	-79.5	-44	-179.2	-58.3	-60.4	0	0	0	109.9	F53 D339 I343 Y344 Q345	F53-I341 HydrophobicContact CB-CD1 3.99Å; D339-I341 VanDerWaalsContact C-N 3.29Å; D339-I341 PolarHBondContact O-N 3.19Å; D339-I341 PolarHBondContact OD1-N 3.2Å; I341-I343 VanDerWaalsContact C-N 3.34Å; I341-I343 PolarHBondContact O-N 3.43Å; I341-Y344 PolarHBondContact O-N 3.01Å; I341-Q345 HydrophobicContact CG2-CG 4.31Å; I341-Q345 VanDerWaalsContact CG2-NE2 3.35Å; I341-Q345 WeakPolarHBondContact O-CB 3.26Å; I341-Q345 VanDerWaalsContact O-CG 3.32Å; I341-Q345 WeakPolarHBondContact O-CG 3.49Å; I341-Q345 PolarHBondContact O-N 3.38Å
342	A	94.3	Very high	91.4	Very high	12 Å²	12	52.5 Å²	52.5	10%	0.099	29%	0.29	C	S	.	.	H	α-helix	trans	-67.2	-32.3	174.9	0	0	0	0	0	112.7	D339 K346 K347 I348	D339-A342 HydrophobicContact CB-CB 3.89Å; D339-A342 PolarHBondContact OD1-N 2.91Å; D339-A342 WeakPolarHBondContact OD2-CB 3.4Å; A342-K346 PolarHBondContact O-N 2.88Å; A342-K347 HydrophobicContact CB-CB 4.14Å; A342-K347 PolarHBondContact O-N 3.23Å; A342-I348 HydrophobicContact CB-CD1 3.66Å; A342-I348 HydrophobicContact CB-CG1 3.78Å; A342-I348 PolarHBondContact O-N 3.02Å
343	I	95.5	Very high	89.1	Confident	5 Å²	5	53.9 Å²	53.9	3%	0.026	30%	0.296	C	S	.	.	H	α-helix	trans	-61.5	-55.8	168.3	-70.7	-74.2	0	0	0	109.6	F140 F183 A186 Q187 L190 Y217 T338 D339 I341 Q345 K346 I348	F140-I343 HydrophobicContact CE2-CG2 4.2Å; F140-I343 HydrophobicContact CZ-CG2 4Å; F140-I343 WeakPolarHBondContact CZ-O 3.44Å; F183-I343 HydrophobicContact CD2-CD1 3.55Å; F183-I343 HydrophobicContact CE2-CD1 3.77Å; A186-I343 HydrophobicContact CB-CG1 4.45Å; A186-I343 HydrophobicContact CB-CG2 4.37Å; Q187-I343 HydrophobicContact CG-CG2 3.84Å; L190-I343 HydrophobicContact CD1-CB 4.25Å; L190-I343 HydrophobicContact CD1-CG2 3.67Å; Y217-I343 WeakPolarHBondContact CE1-O 3.45Å; Y217-I343 PolarHBondContact OH-O 3.32Å; T338-I343 HydrophobicContact CG2-CG1 4.18Å; D339-I343 WeakPolarHBondContact O-CB 3.42Å; D339-I343 WeakPolarHBondContact O-CG1 3.48Å; D339-I343 PolarHBondContact O-N 3.14Å; I341-I343 VanDerWaalsContact C-N 3.34Å; I341-I343 PolarHBondContact O-N 3.43Å; I343-Q345 VanDerWaalsContact C-N 3.34Å; I343-Q345 PolarHBondContact O-N 3.09Å; I343-K346 PolarHBondContact O-N 2.93Å; I343-I348 HydrophobicContact CD1-CB 3.95Å; I343-I348 HydrophobicContact CD1-CG1 3.88Å; I343-I348 HydrophobicContact CD1-CG2 4.18Å; I343-I348 HydrophobicContact CG1-CG1 4.07Å
344	Y	94.7	Very high	86.3	Confident	30 Å²	30	49 Å²	49	12%	0.118	28%	0.283	C	S	.	.	H	α-helix	trans	-53.3	-46.6	-179.5	169.1	-114	0	0	0	112.9	V50 F53 F56 F138 P139 W340 I341 K346	V50-Y344 HydrophobicContact CB-CE1 4.33Å; V50-Y344 HydrophobicContact CG2-CE1 4.37Å; F53-Y344 HydrophobicContact CD2-CD1 4.17Å; F53-Y344 HydrophobicContact CD2-CD2 4.22Å; F53-Y344 HydrophobicContact CD2-CE1 4.49Å; F53-Y344 HydrophobicContact CD2-CG 4.05Å; F53-Y344 HydrophobicContact CE2-CD1 4.43Å; F53-Y344 AromaticContact CE2-CD2 3.66Å; F53-Y344 HydrophobicContact CE2-CD2 3.66Å; F53-Y344 AromaticContact CE2-CE2 3.95Å; F53-Y344 HydrophobicContact CE2-CE2 3.95Å; F53-Y344 AromaticContact CE2-CG 3.93Å; F53-Y344 HydrophobicContact CE2-CG 3.93Å; F56-Y344 VanDerWaalsContact CD2-OH 3.29Å; F56-Y344 WeakPolarHBondContact CD2-OH 3.35Å; F56-Y344 HydrophobicContact CE1-CE2 4.28Å; F56-Y344 VanDerWaalsContact CE2-OH 3.24Å; F56-Y344 WeakPolarHBondContact CE2-OH 3.24Å; F56-Y344 HydrophobicContact CZ-CE2 4.4Å; F138-Y344 HydrophobicContact CD2-CE2 4.36Å; F138-Y344 AromaticContact CE2-CD2 3.95Å; F138-Y344 HydrophobicContact CE2-CD2 3.95Å; F138-Y344 AromaticContact CE2-CE2 3.67Å; F138-Y344 HydrophobicContact CE2-CE2 3.67Å; F138-Y344 AromaticContact CZ-CD2 4Å; F138-Y344 HydrophobicContact CZ-CD2 4Å; F138-Y344 HydrophobicContact CZ-CE2 4.19Å; P139-Y344 HydrophobicContact CG-CD2 4.07Å; P139-Y344 HydrophobicContact CG-CE2 3.65Å; W340-Y344 WeakPolarHBondContact O-CB 3.46Å; W340-Y344 PolarHBondContact O-N 3.47Å; W340-Y344 VanDerWaalsContact O-N 3.09Å; I341-Y344 PolarHBondContact O-N 3.01Å; Y344-K346 PolarHBondContact O-N 2.85Å; Y344-K346 VanDerWaalsContact O-N 3.16Å
345	Q	93.5	Very high	83.3	Confident	56 Å²	56	58.9 Å²	58.9	26%	0.262	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	10.1	-179.4	-64	176.8	0.9	0	0	114	I341 I343 K347	I341-Q345 HydrophobicContact CG2-CG 4.31Å; I341-Q345 VanDerWaalsContact CG2-NE2 3.35Å; I341-Q345 WeakPolarHBondContact O-CB 3.26Å; I341-Q345 VanDerWaalsContact O-CG 3.32Å; I341-Q345 WeakPolarHBondContact O-CG 3.49Å; I341-Q345 PolarHBondContact O-N 3.38Å; I343-Q345 VanDerWaalsContact C-N 3.34Å; I343-Q345 PolarHBondContact O-N 3.09Å; Q345-K347 HydrophobicContact CB-CD 3.97Å; Q345-K347 HydrophobicContact CB-CG 4.05Å; Q345-K347 PolarHBondContact O-N 2.85Å; Q345-K347 VanDerWaalsContact OE1-CE 3.28Å
346	K	93.4	Very high	80.3	Confident	71 Å²	71	62.4 Å²	62.4	31%	0.309	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.1	31.6	-174.4	-67	-163.6	174	-175.8	0	115.2	F140 D213 Y217 A342 I343 Y344	F140-K346 HydrophobicContact CE1-CG 4.17Å; D213-K346 IonicContact OD2-NZ 2.8Å; D213-K346 PolarHBondContact OD2-NZ 2.91Å; Y217-K346 HydrophobicContact CD1-CD 4.21Å; Y217-K346 HydrophobicContact CD1-CG 3.9Å; Y217-K346 HydrophobicContact CD2-CB 4.39Å; Y217-K346 HydrophobicContact CD2-CD 4.14Å; Y217-K346 HydrophobicContact CD2-CG 4.16Å; Y217-K346 HydrophobicContact CE1-CB 4.4Å; Y217-K346 HydrophobicContact CE1-CG 3.89Å; Y217-K346 HydrophobicContact CE2-CB 4.03Å; Y217-K346 HydrophobicContact CE2-CG 4.15Å; Y217-K346 HydrophobicContact CG-CD 3.93Å; Y217-K346 HydrophobicContact CG-CG 4.03Å; Y217-K346 WeakPolarHBondContact OH-CA 3.39Å; A342-K346 PolarHBondContact O-N 2.88Å; I343-K346 PolarHBondContact O-N 2.93Å; Y344-K346 PolarHBondContact O-N 2.85Å; Y344-K346 VanDerWaalsContact O-N 3.16Å
347	K	93.1	Very high	77.4	Confident	137 Å²	137	67.1 Å²	67.1	60%	0.596	37%	0.366	S	S	*	.			trans	-92.6	-9.7	-177.5	-70.7	177.3	-179.9	171.2	0	114.7	A342 Q345	A342-K347 HydrophobicContact CB-CB 4.14Å; A342-K347 PolarHBondContact O-N 3.23Å; Q345-K347 HydrophobicContact CB-CD 3.97Å; Q345-K347 HydrophobicContact CB-CG 4.05Å; Q345-K347 PolarHBondContact O-N 2.85Å; Q345-K347 VanDerWaalsContact OE1-CE 3.28Å
348	I	91.7	Very high	74.6	Confident	62 Å²	62	68.4 Å²	68.4	32%	0.318	38%	0.375	S	S	.	.	S	Bend	trans	-87.8	117.7	174	-61.5	-60	0	0	0	108.8	F183 Y217 A342 I343 P350	F183-I348 HydrophobicContact CD2-CG2 4.06Å; F183-I348 HydrophobicContact CE2-CB 4.31Å; F183-I348 HydrophobicContact CE2-CG2 3.99Å; Y217-I348 WeakPolarHBondContact CE2-O 3.31Å; Y217-I348 PolarHBondContact OH-N 2.91Å; Y217-I348 PolarHBondContact OH-O 2.71Å; Y217-I348 VanDerWaalsContact OH-O 3.07Å; A342-I348 HydrophobicContact CB-CD1 3.66Å; A342-I348 HydrophobicContact CB-CG1 3.78Å; A342-I348 PolarHBondContact O-N 3.02Å; I343-I348 HydrophobicContact CD1-CB 3.95Å; I343-I348 HydrophobicContact CD1-CG1 3.88Å; I343-I348 HydrophobicContact CD1-CG2 4.18Å; I343-I348 HydrophobicContact CG1-CG1 4.07Å; I348-P350 VanDerWaalsContact O-CD 3.26Å; I348-P350 WeakPolarHBondContact O-CD 3.49Å; I348-P350 VanDerWaalsContact O-N 3.16Å
349	T	87	Confident	71.9	Confident	109 Å²	109	74.3 Å²	74.3	67%	0.669	41%	0.405	S	S	*	.	P	Polyproline II helix	trans	-54.3	119.5	169.8	-49.9	0	0	0	0	109.5	Y367	T349-Y367 WeakPolarHBondContact CG2-OH 3.47Å
350	P	79.8	Confident	69.2	Low	8 Å²	8	74.2 Å²	74.2	5%	0.052	43%	0.425	C	S	.	.	P	Polyproline II helix	trans	-52.7	134.9	176.5	-12.8	9.6	0	0	0	110.8	F183 T215 Y217 I348 S352 Y367	F183-P350 HydrophobicContact CE1-CB 3.76Å; F183-P350 HydrophobicContact CE1-CG 4.46Å; F183-P350 HydrophobicContact CE2-CB 4.49Å; F183-P350 HydrophobicContact CZ-CB 3.69Å; F183-P350 HydrophobicContact CZ-CG 4.03Å; T215-P350 WeakPolarHBondContact O-CG 3.47Å; Y217-P350 HydrophobicContact CD2-CG 4.25Å; Y217-P350 HydrophobicContact CE2-CG 4.35Å; I348-P350 VanDerWaalsContact O-CD 3.26Å; I348-P350 WeakPolarHBondContact O-CD 3.49Å; I348-P350 VanDerWaalsContact O-N 3.16Å; P350-S352 PolarHBondContact O-N 3.41Å; P350-Y367 WeakPolarHBondContact CD-OH 3.41Å; P350-Y367 HydrophobicContact CG-CE1 4.02Å
351	P	67.3	Low	66.4	Low	33 Å²	33	82.4 Å²	82.4	21%	0.214	46%	0.456	C	S	.	.	P	Polyproline II helix	trans	-63	124.7	-179.7	24.7	-31.3	0	0	0	109.5	H180 F183 L366	H180-P351 HydrophobicContact CB-CG 4.42Å; H180-P351 VanDerWaalsContact CD2-CB 3.49Å; H180-P351 WeakPolarHBondContact CD2-CB 3.23Å; H180-P351 PolarHBondContact CD2-O 3.29Å; H180-P351 VanDerWaalsContact CD2-O 3.23Å; H180-P351 PolarHBondContact NE2-O 3.2Å; F183-P351 HydrophobicContact CB-CG 3.83Å; F183-P351 HydrophobicContact CD1-CG 4.18Å; F183-P351 VanDerWaalsContact CG-CD 3.44Å; F183-P351 HydrophobicContact CG-CG 3.99Å; P351-L366 WeakPolarHBondContact O-CD1 2.81Å
352	S	60.6	Low	63.8	Low	41 Å²	41	87.3 Å²	87.3	29%	0.287	48%	0.482	S	S	.	.	P	Polyproline II helix	trans	-95.8	137.1	178.6	179.3	0	0	0	0	110.8	P350 S354 A365	P350-S352 PolarHBondContact O-N 3.41Å; S352-S354 PolarHBondContact O-N 2.77Å; S352-S354 VanDerWaalsContact O-N 3.15Å; S352-S354 WeakPolarHBondContact OG-CB 3.34Å; S352-S354 PolarHBondContact OG-N 3.16Å; S352-S354 PolarHBondContact OG-OG 3.41Å; S352-A365 WeakPolarHBondContact OG-CA 3.47Å; S352-A365 WeakPolarHBondContact OG-CB 3.08Å
353	F	52.1	Low	61.2	Low	41 Å²	41	92 Å²	92	18%	0.18	50%	0.5	C	S	.	.	S	Bend	trans	-63.8	-12.1	168.1	-58.4	-61.4	0	0	0	113.5	I173 F176 H180 K355 E364 L366	I173-F353 HydrophobicContact CD1-CD2 4.03Å; I173-F353 HydrophobicContact CD1-CE2 3.27Å; I173-F353 HydrophobicContact CD1-CZ 3.79Å; I173-F353 HydrophobicContact CG1-CE2 4.28Å; I173-F353 HydrophobicContact CG2-CE1 4.45Å; I173-F353 HydrophobicContact CG2-CZ 4.25Å; F176-F353 HydrophobicContact CD1-CE1 4.48Å; F176-F353 AromaticContact CD1-CZ 3.76Å; F176-F353 HydrophobicContact CD1-CZ 3.76Å; F176-F353 HydrophobicContact CE1-CZ 4.11Å; H180-F353 AromaticContact CD2-CE1 3.69Å; H180-F353 AromaticContact CE1-CD1 3.46Å; H180-F353 VanDerWaalsContact CE1-CD1 3.46Å; H180-F353 WeakPolarHBondContact CE1-CD1 3.48Å; H180-F353 AromaticContact CE1-CE1 3.53Å; H180-F353 AromaticContact CG-CE1 3.77Å; H180-F353 AromaticContact ND1-CE1 3.65Å; H180-F353 AromaticContact NE2-CD1 3.48Å; H180-F353 WeakPolarHBondContact NE2-CD1 3.43Å; H180-F353 AromaticContact NE2-CE1 3.56Å; F353-K355 PolarHBondContact O-N 3.38Å; F353-K355 VanDerWaalsContact O-N 3.12Å; F353-E364 WeakPolarHBondContact CD2-O 3.23Å; F353-L366 HydrophobicContact CD2-CD1 4.38Å; F353-L366 HydrophobicContact CD2-CG 3.96Å; F353-L366 HydrophobicContact CE1-CD1 4.49Å; F353-L366 HydrophobicContact CE2-CD1 3.63Å; F353-L366 HydrophobicContact CE2-CD2 3.65Å; F353-L366 HydrophobicContact CE2-CG 3.34Å; F353-L366 HydrophobicContact CZ-CD1 3.68Å; F353-L366 HydrophobicContact CZ-CD2 4.22Å; F353-L366 HydrophobicContact CZ-CG 3.94Å
354	S	38	Very low	58.7	Low	66 Å²	66	93.2 Å²	93.2	46%	0.462	51%	0.506	S	S	.	.			trans	-85.4	74.4	-175.8	73	0	0	0	0	113.9	S352	S352-S354 PolarHBondContact O-N 2.77Å; S352-S354 VanDerWaalsContact O-N 3.15Å; S352-S354 WeakPolarHBondContact OG-CB 3.34Å; S352-S354 PolarHBondContact OG-N 3.16Å; S352-S354 PolarHBondContact OG-OG 3.41Å
355	K	36.7	Very low	56.5	Low	211 Å²	211	93.1 Å²	93.1	92%	0.917	51%	0.511	S	S	*	.	S	Bend	trans	-172.8	85.5	145.3	-105.1	161.7	-170.7	179	0	112.6	F353	F353-K355 PolarHBondContact O-N 3.38Å; F353-K355 VanDerWaalsContact O-N 3.12Å
356	G	34.8	Very low	54.5	Low	75 Å²	75	90.7 Å²	90.7	77%	0.773	50%	0.5	S	S	*	.			trans	95.1	88.3	157	0	0	0	0	0	116.9
357	E	36.5	Very low	52.8	Low	170 Å²	170	91.9 Å²	91.9	79%	0.794	50%	0.503	S	S	*	.				-153.8	145.2	125.8	-118.9	176.4	-161.1	0	0	109.8	N359 F363	E357-N359 PolarHBondContact O-N 3.01Å; E357-F363 WeakPolarHBondContact O-CZ 3.47Å
358	S	35.5	Very low	51.3	Low	114 Å²	114	85.7 Å²	85.7	80%	0.797	48%	0.477	S	S	*	.			trans	-95.3	95	-164.7	55.2	0	0	0	0	113
359	N	39.7	Very low	50.2	Low	147 Å²	147	90.3 Å²	90.3	79%	0.786	49%	0.49	S	S	*	.	S	Bend	trans	-161.5	58	165.4	-111.3	-32.5	0	0	0	116.2	E357 R361	E357-N359 PolarHBondContact O-N 3.01Å; N359-R361 PolarHBondContact O-N 3.31Å
360	G	38.7	Very low	49.4	Very low	85 Å²	85	87 Å²	87	88%	0.876	47%	0.47	S	S	*	.			trans	63	-5.9	150.8	0	0	0	0	0	120.8
361	R	38.5	Very low	49.3	Very low	207 Å²	207	92.8 Å²	92.8	78%	0.781	50%	0.501	S	S	*	.	S	Bend	trans	-87.5	151.5	175.5	-66	-177.2	176.4	-164	-2.7	110.3	N359 F363	N359-R361 PolarHBondContact O-N 3.31Å; R361-F363 WeakPolarHBondContact O-CD2 3.36Å; R361-F363 VanDerWaalsContact O-CE2 3.26Å; R361-F363 WeakPolarHBondContact O-CE2 3.48Å; R361-F363 PolarHBondContact O-N 2.83Å
362	L	39.4	Very low	49.9	Very low	154 Å²	154	92.6 Å²	92.6	81%	0.806	51%	0.505	S	S	*	.			trans	-58.9	109.6	-175.1	-110.9	70.2	0	0	0	111.7	E364	L362-E364 PolarHBondContact O-N 2.74Å; L362-E364 VanDerWaalsContact O-N 3.17Å
363	F	39.2	Very low	50.7	Low	109 Å²	109	95 Å²	95	48%	0.478	52%	0.519	S	S	.	.			trans	-84	81.9	171.9	-67.2	-82.7	0	0	0	109.9	E357 R361	E357-F363 WeakPolarHBondContact O-CZ 3.47Å; R361-F363 WeakPolarHBondContact O-CD2 3.36Å; R361-F363 VanDerWaalsContact O-CE2 3.26Å; R361-F363 WeakPolarHBondContact O-CE2 3.48Å; R361-F363 PolarHBondContact O-N 2.83Å
364	E	43.3	Very low	52.1	Low	32 Å²	32	94.8 Å²	94.8	15%	0.15	53%	0.525	C	S	.	.			trans	-84.4	145.1	160.5	-58.8	-153.9	111.7	0	0	109.9	R172 F353 L362 R369	R172-E364 IonicContact CZ-OE2 3.95Å; R172-E364 IonicContact NH1-OE2 2.66Å; R172-E364 PolarHBondContact NH1-OE2 2.83Å; R172-E364 IonicContact NH2-OE2 3.3Å; R172-E364 PolarHBondContact NH2-OE2 3.4Å; F353-E364 WeakPolarHBondContact CD2-O 3.23Å; L362-E364 PolarHBondContact O-N 2.74Å; L362-E364 VanDerWaalsContact O-N 3.17Å; E364-R369 WeakPolarHBondContact OE1-CD 3.14Å; E364-R369 WeakPolarHBondContact OE1-CG 3.39Å; E364-R369 IonicContact OE1-CZ 2.71Å; E364-R369 IonicContact OE1-NE 3.56Å; E364-R369 PolarHBondContact OE1-NE 3.13Å
365	A	46.8	Very low	54.1	Low	27 Å²	27	92.5 Å²	92.5	22%	0.223	51%	0.507	C	S	.	.			trans	-68.4	167.2	164.7	0	0	0	0	0	110	S352 Y367	S352-A365 WeakPolarHBondContact OG-CA 3.47Å; S352-A365 WeakPolarHBondContact OG-CB 3.08Å; A365-Y367 HydrophobicContact CB-CD2 3.81Å; A365-Y367 PolarHBondContact O-N 2.96Å
366	L	52.2	Low	56.2	Low	5 Å²	5	83.7 Å²	83.7	3%	0.026	47%	0.472	C	S	.	.	S	Bend	trans	-73.1	-1	168.9	-81.6	161.5	0	0	0	113.9	Y184 I212 P351 F353 P368	Y184-L366 HydrophobicContact CE2-CD1 3.74Å; Y184-L366 HydrophobicContact CE2-CD2 4.22Å; Y184-L366 WeakPolarHBondContact OH-CD1 3.39Å; Y184-L366 WeakPolarHBondContact OH-CD2 3.04Å; I212-L366 HydrophobicContact CD1-CD2 4.15Å; P351-L366 WeakPolarHBondContact O-CD1 2.81Å; F353-L366 HydrophobicContact CD2-CD1 4.38Å; F353-L366 HydrophobicContact CD2-CG 3.96Å; F353-L366 HydrophobicContact CE1-CD1 4.49Å; F353-L366 HydrophobicContact CE2-CD1 3.63Å; F353-L366 HydrophobicContact CE2-CD2 3.65Å; F353-L366 HydrophobicContact CE2-CG 3.34Å; F353-L366 HydrophobicContact CZ-CD1 3.68Å; F353-L366 HydrophobicContact CZ-CD2 4.22Å; F353-L366 HydrophobicContact CZ-CG 3.94Å; L366-P368 WeakPolarHBondContact O-CD 3.33Å
367	Y	58.1	Low	58.5	Low	96 Å²	96	85.8 Å²	85.8	38%	0.376	46%	0.456	S	S	.	.	S	Bend	trans	-67.7	108.2	156	-61.2	-71.5	0	0	0	108.2	T215 T349 P350 A365 R369	T215-Y367 WeakPolarHBondContact O-CE1 3.35Å; T349-Y367 WeakPolarHBondContact CG2-OH 3.47Å; P350-Y367 WeakPolarHBondContact CD-OH 3.41Å; P350-Y367 HydrophobicContact CG-CE1 4.02Å; A365-Y367 HydrophobicContact CB-CD2 3.81Å; A365-Y367 PolarHBondContact O-N 2.96Å; Y367-R369 PolarHBondContact O-N 3.41Å
368	P	62	Low	60.5	Low	8 Å²	8	79.4 Å²	79.4	5%	0.052	43%	0.426	C	S	.	.			trans	-64.1	127.8	174.6	-2	17.1	0	0	0	107.3	G163 I212 D213 L366 V370	G163-P368 VanDerWaalsContact CA-CB 3.5Å; G163-P368 VanDerWaalsContact CA-CG 3.41Å; I212-P368 HydrophobicContact CB-CG 4.45Å; I212-P368 HydrophobicContact CG2-CG 4.09Å; D213-P368 WeakPolarHBondContact O-CD 3.46Å; L366-P368 WeakPolarHBondContact O-CD 3.33Å; P368-V370 PolarHBondContact O-N 3.07Å
369	R	68.1	Low	62.3	Low	159 Å²	159	75.7 Å²	75.7	60%	0.6	40%	0.396	S	S	*	.			trans	-61.4	117	171.4	-67.4	-171	-164.9	-127.8	-1.7	108.3	E364 Y367 R377 H378	E364-R369 WeakPolarHBondContact OE1-CD 3.14Å; E364-R369 WeakPolarHBondContact OE1-CG 3.39Å; E364-R369 IonicContact OE1-CZ 2.71Å; E364-R369 IonicContact OE1-NE 3.56Å; E364-R369 PolarHBondContact OE1-NE 3.13Å; Y367-R369 PolarHBondContact O-N 3.41Å; R369-R377 VanDerWaalsContact O-CD 3.26Å; R369-R377 WeakPolarHBondContact O-CD 3.15Å; R369-R377 PolarHBondContact O-NE 3.03Å; R369-H378 PolarHBondContact O-NE2 3.27Å
370	V	69.7	Low	63.5	Low	39 Å²	39	75.1 Å²	75.1	24%	0.236	40%	0.398	C	S	.	.			trans	-135.5	124.1	172.9	-71.2	0	0	0	0	107.7	P368 G372 D375	P368-V370 PolarHBondContact O-N 3.07Å; V370-G372 VanDerWaalsContact C-N 3.28Å; V370-D375 WeakPolarHBondContact CA-OD2 3.42Å; V370-D375 HydrophobicContact CB-CB 3.91Å; V370-D375 HydrophobicContact CG1-CB 4.03Å
371	D	79	Confident	64.6	Low	130 Å²	130	74.5 Å²	74.5	70%	0.695	37%	0.372	S	S	*	.	S	Bend	trans	-91.3	3.7	-172.7	-56.3	-3.6	0	0	0	111.2	D375 R377	D371-D375 PolarHBondContact N-OD2 3.19Å; D371-R377 VanDerWaalsContact CG-CZ 3.5Å; D371-R377 VanDerWaalsContact CG-NH1 3.29Å; D371-R377 IonicContact OD1-CZ 2.69Å; D371-R377 IonicContact OD1-NH1 3.36Å; D371-R377 PolarHBondContact OD1-NH1 3.31Å; D371-R377 IonicContact OD1-NH2 2.83Å; D371-R377 PolarHBondContact OD1-NH2 3.33Å; D371-R377 IonicContact OD2-CZ 2.65Å; D371-R377 IonicContact OD2-NH1 2.68Å; D371-R377 PolarHBondContact OD2-NH1 2.7Å; D371-R377 IonicContact OD2-NH2 3.19Å; D371-R377 PolarHBondContact OD2-NH2 2.7Å
372	G	80	Confident	65.2	Low	29 Å²	29	72.4 Å²	72.4	30%	0.299	37%	0.371	S	S	.	.	S	Bend	trans	177.4	176.5	174.3	0	0	0	0	0	113.8	V370 A374 D375	V370-G372 VanDerWaalsContact C-N 3.28Å; G372-A374 PolarHBondContact O-N 3.19Å; G372-D375 WeakPolarHBondContact O-CB 3.44Å; G372-D375 PolarHBondContact O-N 3.48Å
373	P	77.4	Confident	65.9	Low	90 Å²	90	68.1 Å²	68.1	58%	0.584	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-8.7	-179.3	31.3	-37.5	0	0	0	114.1	Y106 F160	Y106-P373 HydrophobicContact CD2-CB 3.82Å; Y106-P373 HydrophobicContact CD2-CG 3.89Å; Y106-P373 HydrophobicContact CE2-CB 4.22Å; Y106-P373 HydrophobicContact CE2-CG 3.76Å; F160-P373 WeakPolarHBondContact CD1-O 3.28Å
374	A	81.1	Confident	66.4	Low	38 Å²	38	71.7 Å²	71.7	31%	0.314	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	10.5	177.1	0	0	0	0	0	113	L97 Y106 G372 T376	L97-A374 HydrophobicContact CD2-CB 4.33Å; Y106-A374 HydrophobicContact CD1-CB 3.91Å; Y106-A374 HydrophobicContact CE1-CB 3.58Å; Y106-A374 HydrophobicContact CE2-CB 4.34Å; Y106-A374 HydrophobicContact CG-CB 4.41Å; G372-A374 PolarHBondContact O-N 3.19Å; A374-T376 PolarHBondContact O-N 3.39Å
375	D	79.9	Confident	66.8	Low	17 Å²	17	73.2 Å²	73.2	9%	0.091	38%	0.376	C	S	.	.			trans	-68.6	127.1	-173.3	-159.7	-48.2	0	0	0	112.1	F160 V370 D371 G372 R377	F160-D375 WeakPolarHBondContact CE1-O 3.38Å; F160-D375 VanDerWaalsContact CZ-O 3.28Å; F160-D375 WeakPolarHBondContact CZ-O 3.49Å; V370-D375 WeakPolarHBondContact CA-OD2 3.42Å; V370-D375 HydrophobicContact CB-CB 3.91Å; V370-D375 HydrophobicContact CG1-CB 4.03Å; D371-D375 PolarHBondContact N-OD2 3.19Å; G372-D375 WeakPolarHBondContact O-CB 3.44Å; G372-D375 PolarHBondContact O-N 3.48Å; D375-R377 VanDerWaalsContact CG-NE 3.29Å; D375-R377 WeakPolarHBondContact OD1-CB 3.12Å; D375-R377 WeakPolarHBondContact OD1-CG 3.41Å; D375-R377 IonicContact OD1-CZ 2.61Å; D375-R377 PolarHBondContact OD1-N 2.93Å; D375-R377 IonicContact OD1-NE 2.87Å; D375-R377 PolarHBondContact OD1-NE 3.12Å; D375-R377 IonicContact OD1-NH2 3.4Å; D375-R377 IonicContact OD2-CZ 3.48Å; D375-R377 IonicContact OD2-NE 3.19Å; D375-R377 PolarHBondContact OD2-NE 3.11Å; D375-R377 IonicContact OD2-NH2 2.99Å; D375-R377 PolarHBondContact OD2-NH2 2.66Å
376	T	79.7	Confident	67	Low	27 Å²	27	75.5 Å²	75.5	17%	0.166	39%	0.389	C	S	.	.			trans	-119	14.6	-179.5	59	0	0	0	0	113.8	K85 L87 L97 F160 A374 H378 F379	K85-T376 HydrophobicContact CD-CG2 4.39Å; L87-T376 HydrophobicContact CD2-CG2 3.66Å; L97-T376 HydrophobicContact CD2-CG2 3.67Å; F160-T376 HydrophobicContact CZ-CG2 4.27Å; A374-T376 PolarHBondContact O-N 3.39Å; T376-H378 PolarHBondContact O-N 2.65Å; T376-F379 PolarHBondContact O-N 3.03Å
377	R	83.9	Confident	66.8	Low	118 Å²	118	81.8 Å²	81.8	45%	0.445	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-21.7	-175.8	78.6	-172.1	64.8	-161.3	-30.1	114.7	R369 D371 D375 F379	R369-R377 VanDerWaalsContact O-CD 3.26Å; R369-R377 WeakPolarHBondContact O-CD 3.15Å; R369-R377 PolarHBondContact O-NE 3.03Å; D371-R377 VanDerWaalsContact CG-CZ 3.5Å; D371-R377 VanDerWaalsContact CG-NH1 3.29Å; D371-R377 IonicContact OD1-CZ 2.69Å; D371-R377 IonicContact OD1-NH1 3.36Å; D371-R377 PolarHBondContact OD1-NH1 3.31Å; D371-R377 IonicContact OD1-NH2 2.83Å; D371-R377 PolarHBondContact OD1-NH2 3.33Å; D371-R377 IonicContact OD2-CZ 2.65Å; D371-R377 IonicContact OD2-NH1 2.68Å; D371-R377 PolarHBondContact OD2-NH1 2.7Å; D371-R377 IonicContact OD2-NH2 3.19Å; D371-R377 PolarHBondContact OD2-NH2 2.7Å; D375-R377 VanDerWaalsContact CG-NE 3.29Å; D375-R377 WeakPolarHBondContact OD1-CB 3.12Å; D375-R377 WeakPolarHBondContact OD1-CG 3.41Å; D375-R377 IonicContact OD1-CZ 2.61Å; D375-R377 PolarHBondContact OD1-N 2.93Å; D375-R377 IonicContact OD1-NE 2.87Å; D375-R377 PolarHBondContact OD1-NE 3.12Å; D375-R377 IonicContact OD1-NH2 3.4Å; D375-R377 IonicContact OD2-CZ 3.48Å; D375-R377 IonicContact OD2-NE 3.19Å; D375-R377 PolarHBondContact OD2-NE 3.11Å; D375-R377 IonicContact OD2-NH2 2.99Å; D375-R377 PolarHBondContact OD2-NH2 2.66Å; R377-F379 VanDerWaalsContact C-N 3.33Å
378	H	77.4	Confident	66.2	Low	36 Å²	36	84.7 Å²	84.7	17%	0.167	45%	0.445	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	4.7	178.3	-53.3	-71.8	0	0	0	112.9	S162 R369 T376	S162-H378 PolarHBondContact O-CD2 2.66Å; S162-H378 VanDerWaalsContact O-CD2 3.29Å; R369-H378 PolarHBondContact O-NE2 3.27Å; T376-H378 PolarHBondContact O-N 2.65Å
379	F	75.3	Confident	65.7	Low	36 Å²	36	87.2 Å²	87.2	16%	0.158	46%	0.455	C	S	.	.			trans	-114.6	128.4	177.6	-62.2	-93.9	0	0	0	110.3	L87 F160 T376 R377	L87-F379 HydrophobicContact CB-CD1 3.91Å; L87-F379 HydrophobicContact CB-CE1 4.2Å; L87-F379 HydrophobicContact CB-CG 4.49Å; L87-F379 HydrophobicContact CD2-CB 4.25Å; L87-F379 HydrophobicContact CD2-CD1 3.88Å; L87-F379 HydrophobicContact CD2-CD2 3.85Å; L87-F379 HydrophobicContact CD2-CE1 4.15Å; L87-F379 HydrophobicContact CD2-CE2 4.13Å; L87-F379 HydrophobicContact CD2-CG 3.71Å; L87-F379 HydrophobicContact CD2-CZ 4.28Å; L87-F379 HydrophobicContact CG-CD1 4.43Å; F160-F379 AromaticContact CE2-CE2 3.7Å; F160-F379 HydrophobicContact CE2-CE2 3.7Å; F160-F379 AromaticContact CE2-CZ 3.77Å; F160-F379 HydrophobicContact CE2-CZ 3.77Å; F160-F379 AromaticContact CZ-CE2 3.84Å; F160-F379 HydrophobicContact CZ-CE2 3.84Å; F160-F379 HydrophobicContact CZ-CZ 4.37Å; T376-F379 PolarHBondContact O-N 3.03Å; R377-F379 VanDerWaalsContact C-N 3.33Å
380	V	63.3	Low	64.7	Low	136 Å²	136	85.3 Å²	85.3	82%	0.824	46%	0.461	S	S	*	.			trans	-92.3	-19.4	-162.4	-162.3	0	0	0	0	113.5
381	E	61.6	Low	64	Low	71 Å²	71	87.3 Å²	87.3	33%	0.332	47%	0.469	S	S	.	.			trans	-88.4	123	-173.9	-68.5	-158.1	135.6	0	0	113.6	K85 G88 T89 V383	K85-E381 WeakPolarHBondContact CE-O 3.24Å; G88-E381 VanDerWaalsContact CA-OE2 3.3Å; G88-E381 WeakPolarHBondContact CA-OE2 3.44Å; T89-E381 WeakPolarHBondContact CG2-OE2 3.24Å; T89-E381 PolarHBondContact N-OE2 2.83Å; T89-E381 PolarHBondContact OG1-OE1 3.2Å; T89-E381 PolarHBondContact OG1-OE2 2.81Å; E381-V383 HydrophobicContact CB-CG2 4.29Å
382	E	51	Low	62.8	Low	163 Å²	163	83.4 Å²	83.4	76%	0.762	46%	0.455	S	S	*	.			trans	-109.1	80.7	158.7	-69	-160.5	157.6	0	0	109.9	K85	K85-E382 IonicContact NZ-OE1 2.72Å; K85-E382 PolarHBondContact NZ-OE1 3.03Å
383	V	56	Low	61.7	Low	64 Å²	64	85.1 Å²	85.1	39%	0.388	47%	0.467	S	S	.	.			trans	-87.7	114.7	171.4	178.9	0	0	0	0	108.8	T86 T89 E381 E385	T86-V383 HydrophobicContact CG2-CB 4.48Å; T89-V383 HydrophobicContact CG2-CG2 4.09Å; E381-V383 HydrophobicContact CB-CG2 4.29Å; V383-E385 PolarHBondContact O-N 2.86Å
384	Q	49.5	Very low	60.9	Low	185 Å²	185	82.1 Å²	82.1	86%	0.864	45%	0.446	S	S	*	.	P	Polyproline II helix	trans	-59.2	133.9	172.5	-73.4	-175.3	-22.1	0	0	110.7
385	E	51.9	Low	60	Low	63 Å²	63	84.3 Å²	84.3	29%	0.294	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-72.1	138.6	174.4	-79.1	-171.5	-129.5	0	0	111.3	R83 M96 V383 T387	R83-E385 IonicContact CZ-OE2 3.77Å; R83-E385 VanDerWaalsContact CZ-OE2 3.3Å; R83-E385 IonicContact NE-OE1 3.74Å; R83-E385 IonicContact NE-OE2 2.67Å; R83-E385 PolarHBondContact NE-OE2 3.32Å; R83-E385 IonicContact NH2-OE2 3.16Å; R83-E385 PolarHBondContact NH2-OE2 2.84Å; M96-E385 HydrophobicContact CE-CG 4.25Å; M96-E385 WeakPolarHBondContact CE-OE1 3.42Å; V383-E385 PolarHBondContact O-N 2.86Å; E385-T387 PolarHBondContact O-N 3.01Å
386	P	51	Low	59.4	Low	75 Å²	75	91.4 Å²	91.4	49%	0.487	49%	0.49	S	S	.	.	P	Polyproline II helix	trans	-60.1	122.5	149.8	-11.1	26.9	0	0	0	107.4	E388	P386-E388 PolarHBondContact O-N 3.22Å; P386-E388 VanDerWaalsContact O-N 3.14Å
387	T	46.6	Very low	59.3	Low	138 Å²	138	91.3 Å²	91.3	85%	0.847	49%	0.488	S	S	*	.	S	Bend	trans	-61.7	-22.3	-175.2	35.8	0	0	0	0	113.7	E385	E385-T387 PolarHBondContact O-N 3.01Å
388	E	46	Very low	58.9	Low	157 Å²	157	89.9 Å²	89.9	73%	0.734	49%	0.487	S	S	*	.			trans	-120.8	123.2	175.5	-64.2	-175.5	154.7	0	0	111.2	P386	P386-E388 PolarHBondContact O-N 3.22Å; P386-E388 VanDerWaalsContact O-N 3.14Å
389	F	51.9	Low	59.1	Low	61 Å²	61	96.1 Å²	96.1	27%	0.268	52%	0.516	S	S	.	.			trans	-93.3	99.6	159.6	-79.5	-112	0	0	0	107.6	R94 I391	R94-F389 VanDerWaalsContact CZ-CZ 3.4Å; R94-F389 VanDerWaalsContact NH2-CZ 3.32Å; F389-I391 PolarHBondContact O-N 3.29Å; F389-I391 VanDerWaalsContact O-N 3.15Å
390	V	47.9	Very low	59.6	Low	119 Å²	119	98.2 Å²	98.2	72%	0.721	53%	0.528	S	S	*	.			trans	-69.1	111.5	172.6	-179.4	0	0	0	0	108.7	A392	V390-A392 PolarHBondContact O-N 3.01Å
391	I	53.4	Low	60.8	Low	80 Å²	80	91.7 Å²	91.7	41%	0.41	49%	0.489	S	S	.	.			trans	-73.5	79.8	174.8	-57.5	178.2	0	0	0	108.6	D150 N151 S152 F389 A393	D150-I391 HydrophobicContact CB-CG2 4.46Å; N151-I391 HydrophobicContact CB-CG2 3.75Å; S152-I391 WeakPolarHBondContact OG-CA 3.4Å; F389-I391 PolarHBondContact O-N 3.29Å; F389-I391 VanDerWaalsContact O-N 3.15Å; I391-A393 PolarHBondContact O-N 3.24Å
392	A	54.3	Low	62	Low	48 Å²	48	92.7 Å²	92.7	40%	0.397	50%	0.5	S	S	.	.			trans	-68.9	114.1	174.4	0	0	0	0	0	110	S152 V390 T394	S152-A392 PolarHBondContact OG-N 3.24Å; S152-A392 PolarHBondContact OG-O 3.35Å; V390-A392 PolarHBondContact O-N 3.01Å; A392-T394 PolarHBondContact O-N 3.39Å; A392-T394 PolarHBondContact O-OG1 3.07Å
393	A	56.4	Low	63.4	Low	66 Å²	66	90 Å²	90	55%	0.545	49%	0.487	S	S	.	.			trans	-66.4	123.2	177	0	0	0	0	0	111	N151 I391	N151-A393 HydrophobicContact CB-CB 4.24Å; I391-A393 PolarHBondContact O-N 3.24Å
394	T	61.6	Low	64.9	Low	26 Å²	26	87 Å²	87	16%	0.16	47%	0.469	C	S	.	.			trans	-124	77.5	173.1	-11	0	0	0	0	109.5	Q115 A392 Q396 L397	Q115-T394 PolarHBondContact NE2-OG1 3.25Å; A392-T394 PolarHBondContact O-N 3.39Å; A392-T394 PolarHBondContact O-OG1 3.07Å; T394-Q396 PolarHBondContact O-N 2.89Å; T394-Q396 VanDerWaalsContact O-N 3.09Å; T394-L397 HydrophobicContact CG2-CD1 4.32Å; T394-L397 HydrophobicContact CG2-CG 4.32Å; T394-L397 PolarHBondContact O-N 2.9Å
395	P	62.7	Low	65.7	Low	85 Å²	85	82.1 Å²	82.1	55%	0.552	45%	0.449	S	S	*	.	G	3₁₀ helix	trans	-56.3	-34.1	-170.6	-27	35.3	0	0	0	113.7	L397 E398	P395-L397 PolarHBondContact O-N 3.26Å; P395-E398 PolarHBondContact O-N 3.45Å
396	Q	67.2	Low	66.4	Low	165 Å²	165	83.1 Å²	83.1	77%	0.771	46%	0.457	S	S	*	.	G	3₁₀ helix	trans	-59.5	-13.1	176.5	-65.4	159.4	-8.3	0	0	114.3	T394	T394-Q396 PolarHBondContact O-N 2.89Å; T394-Q396 VanDerWaalsContact O-N 3.09Å
397	L	77	Confident	67.2	Low	25 Å²	25	83.5 Å²	83.5	13%	0.131	46%	0.455	C	S	.	.	G	3₁₀ helix	trans	-104.6	-6.7	177.3	-54.6	-170.5	0	0	0	113.2	K114 Q115 V118 T394 P395 L400 F401	K114-L397 HydrophobicContact CB-CD1 4.2Å; Q115-L397 HydrophobicContact CB-CD1 4.39Å; Q115-L397 HydrophobicContact CG-CD1 3.75Å; V118-L397 HydrophobicContact CG1-CD2 4.41Å; V118-L397 HydrophobicContact CG2-CD2 4.23Å; T394-L397 HydrophobicContact CG2-CD1 4.32Å; T394-L397 HydrophobicContact CG2-CG 4.32Å; T394-L397 PolarHBondContact O-N 2.9Å; P395-L397 PolarHBondContact O-N 3.26Å; L397-L400 HydrophobicContact CD2-CD1 4.23Å; L397-L400 PolarHBondContact O-N 3.36Å; L397-F401 VanDerWaalsContact O-CD2 3.23Å; L397-F401 WeakPolarHBondContact O-CD2 3.39Å
398	E	74.2	Confident	68.5	Low	88 Å²	88	80.3 Å²	80.3	41%	0.411	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-40.5	-177.6	-64.2	-174.3	157.4	0	0	111.6	P395 L400 F401 V402	P395-E398 PolarHBondContact O-N 3.45Å; E398-L400 PolarHBondContact O-N 3.42Å; E398-F401 CarbonylContact O-C 3.51Å; E398-F401 PolarHBondContact O-N 2.86Å; E398-V402 PolarHBondContact O-N 3.06Å
399	E	82.9	Confident	69.9	Low	168 Å²	168	75.5 Å²	75.5	79%	0.785	41%	0.414	S	S	*	.	G	3₁₀ helix	trans	-55.2	-37.2	175.3	-64.8	-174.6	173.6	0	0	112.7	F401	E399-F401 PolarHBondContact O-N 3Å
400	L	85.8	Confident	71.1	Confident	79 Å²	79	76.5 Å²	76.5	41%	0.414	42%	0.423	S	S	.	.	G	3₁₀ helix	trans	-70.8	-15.5	179.6	-63.4	177.7	0	0	0	113.8	V118 L397 E398	V118-L400 HydrophobicContact CG1-CD1 4.36Å; V118-L400 HydrophobicContact CG2-CD1 3.77Å; L397-L400 HydrophobicContact CD2-CD1 4.23Å; L397-L400 PolarHBondContact O-N 3.36Å; E398-L400 PolarHBondContact O-N 3.42Å
401	F	88.6	Confident	72.7	Confident	0 Å²	0	73.4 Å²	73.4	0%	0	40%	0.402	C	S	.	.	G	3₁₀ helix	trans	-127.5	23.6	-175.7	-59.3	-64.4	0	0	0	112.8	K114 V117 V118 V123 L127 K149 L154 L397 E398 E399 E403 F404	K114-F401 HydrophobicContact CB-CD2 4.33Å; K114-F401 HydrophobicContact CB-CE2 3.85Å; K114-F401 HydrophobicContact CD-CD2 3.94Å; K114-F401 HydrophobicContact CD-CE2 4.31Å; K114-F401 HydrophobicContact CG-CD2 3.82Å; K114-F401 HydrophobicContact CG-CE2 3.77Å; V117-F401 HydrophobicContact CB-CZ 4.27Å; V117-F401 HydrophobicContact CG1-CE1 4.02Å; V117-F401 HydrophobicContact CG1-CZ 3.78Å; V118-F401 HydrophobicContact CG2-CE2 3.93Å; V118-F401 HydrophobicContact CG2-CZ 3.91Å; V123-F401 HydrophobicContact CB-CE1 4.46Å; V123-F401 HydrophobicContact CG1-CE1 3.89Å; V123-F401 HydrophobicContact CG1-CZ 4.37Å; V123-F401 HydrophobicContact CG2-CE1 4.35Å; V123-F401 HydrophobicContact CG2-CZ 4.1Å; L127-F401 HydrophobicContact CD2-CD1 4.29Å; K149-F401 WeakPolarHBondContact CD-O 3.46Å; K149-F401 PolarHBondContact NZ-O 2.97Å; L154-F401 HydrophobicContact CD1-CD1 3.68Å; L154-F401 HydrophobicContact CD1-CE1 3.6Å; L154-F401 HydrophobicContact CD1-CG 4.19Å; L154-F401 HydrophobicContact CD1-CZ 4.06Å; L154-F401 HydrophobicContact CD2-CB 3.95Å; L154-F401 HydrophobicContact CD2-CD1 4.11Å; L154-F401 HydrophobicContact CD2-CD2 4.32Å; L154-F401 HydrophobicContact CD2-CG 3.87Å; L397-F401 VanDerWaalsContact O-CD2 3.23Å; L397-F401 WeakPolarHBondContact O-CD2 3.39Å; E398-F401 CarbonylContact O-C 3.51Å; E398-F401 PolarHBondContact O-N 2.86Å; E399-F401 PolarHBondContact O-N 3Å; F401-E403 VanDerWaalsContact C-N 3.33Å; F401-E403 PolarHBondContact O-N 3.03Å; F401-F404 HydrophobicContact CB-CB 4.36Å; F401-F404 WeakPolarHBondContact O-CB 3.44Å; F401-F404 PolarHBondContact O-N 2.81Å
402	V	85.4	Confident	74.2	Confident	92 Å²	92	72.9 Å²	72.9	56%	0.558	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-42.5	177.4	173.5	0	0	0	0	111.8	K149 E398 F404	K149-V402 PolarHBondContact NZ-O 2.88Å; E398-V402 PolarHBondContact O-N 3.06Å; V402-F404 VanDerWaalsContact C-N 3.25Å; V402-F404 PolarHBondContact O-N 3.42Å
403	E	81.7	Confident	75.9	Confident	106 Å²	106	75 Å²	75	50%	0.495	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-11.5	-179.6	-71.6	-160.2	177.5	0	0	115.3	Q73 R131 F401	Q73-E403 PolarHBondContact NE2-O 2.92Å; R131-E403 IonicContact NH1-OE1 2.81Å; R131-E403 IonicContact NH1-OE2 2.85Å; R131-E403 PolarHBondContact NH1-OE2 2.85Å; F401-E403 VanDerWaalsContact C-N 3.33Å; F401-E403 PolarHBondContact O-N 3.03Å
404	F	87	Confident	77.6	Confident	0 Å²	0	75.8 Å²	75.8	0%	0	39%	0.389	C	S	.	.			trans	-74.1	0	-174.8	-165.4	-74.6	0	0	0	112.5	T126 L127 K130 F148 K149 L154 Y155 M156 F401 V402	T126-F404 HydrophobicContact CG2-CE2 4.08Å; L127-F404 HydrophobicContact CD2-CB 4.11Å; L127-F404 HydrophobicContact CD2-CD2 4.3Å; K130-F404 HydrophobicContact CB-CD2 4.17Å; K130-F404 HydrophobicContact CB-CE2 3.75Å; K130-F404 HydrophobicContact CB-CZ 4.31Å; K130-F404 HydrophobicContact CD-CD2 4.44Å; K130-F404 WeakPolarHBondContact CE-OXT 3.28Å; K130-F404 HydrophobicContact CG-CD2 4.08Å; K130-F404 HydrophobicContact CG-CE1 4.38Å; K130-F404 HydrophobicContact CG-CE2 3.76Å; K130-F404 HydrophobicContact CG-CZ 3.92Å; K130-F404 PolarHBondContact NZ-OXT 2.83Å; F148-F404 VanDerWaalsContact O-CE1 3.26Å; F148-F404 WeakPolarHBondContact O-CE1 3.49Å; K149-F404 HydrophobicContact CB-CD1 4.42Å; K149-F404 HydrophobicContact CD-CB 4.14Å; K149-F404 WeakPolarHBondContact CD-O 3.46Å; K149-F404 WeakPolarHBondContact CE-O 3.44Å; K149-F404 PolarHBondContact NZ-O 3.13Å; L154-F404 HydrophobicContact CB-CD1 4.43Å; L154-F404 HydrophobicContact CB-CD2 4.39Å; L154-F404 HydrophobicContact CB-CE1 3.97Å; L154-F404 HydrophobicContact CB-CE2 3.92Å; L154-F404 HydrophobicContact CB-CZ 3.69Å; L154-F404 HydrophobicContact CD1-CD2 4.13Å; L154-F404 HydrophobicContact CD1-CE2 4.13Å; L154-F404 HydrophobicContact CD2-CB 4.36Å; L154-F404 HydrophobicContact CD2-CD1 4.08Å; L154-F404 HydrophobicContact CD2-CD2 4.15Å; L154-F404 HydrophobicContact CD2-CE1 4.46Å; L154-F404 HydrophobicContact CD2-CG 3.93Å; L154-F404 HydrophobicContact CG-CD2 4.46Å; L154-F404 HydrophobicContact CG-CE2 4.42Å; Y155-F404 WeakPolarHBondContact O-CE1 3.29Å; M156-F404 HydrophobicContact CG-CE2 4.45Å; M156-F404 HydrophobicContact CG-CZ 3.76Å; M156-F404 HydrophobicContact SD-CZ 4.47Å; F401-F404 HydrophobicContact CB-CB 4.36Å; F401-F404 WeakPolarHBondContact O-CB 3.44Å; F401-F404 PolarHBondContact O-N 2.81Å; V402-F404 VanDerWaalsContact C-N 3.25Å; V402-F404 PolarHBondContact O-N 3.42Å

Retrieved 404 of 404 residues in 2164.3 ms (Link to these results)

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