A0A087XYQ6_POEFO Loading...

Calmodulin-lysine N-methyltransferase

Catalyzes the trimethylation of 'Lys-116' in calmodulin.

AlphaFold DB , UniProt , Accession A0A087XYQ6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 338 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.1	Very low	29.5	Very low	245 Å²	245	149.1 Å²	149.1	100%	1.207	85%	0.854	S	S	*	*				0	107.7	0	-74	166.2	161.4	0	0	106.1
2	E	34.8	Very low	29.3	Very low	196 Å²	196	147.3 Å²	147.3	92%	0.916	85%	0.849	S	S	*	*			cis	-132.7	150.6	-4	-85.2	179.9	123.6	0	0	107.8
3	K	27.3	Very low	29.2	Very low	217 Å²	217	150.2 Å²	150.2	94%	0.943	85%	0.85	S	S	*	*			trans	-99.3	153.3	171.7	-77.4	-178.6	171.9	-178	0	108.7
4	G	27.8	Very low	28.9	Very low	72 Å²	72	147.7 Å²	147.7	74%	0.742	85%	0.847	S	S	*	*			trans	161.2	101.9	157.1	0	0	0	0	0	108.9
5	S	28.2	Very low	28.9	Very low	110 Å²	110	144.5 Å²	144.5	77%	0.769	85%	0.845	S	S	*	*				71.5	137	53.2	-160.4	0	0	0	0	114.4
6	T	31.2	Very low	29	Very low	140 Å²	140	145.7 Å²	145.7	86%	0.859	85%	0.846	S	S	*	*			trans	84.5	140.7	171.5	73.9	0	0	0	0	115
7	G	28.2	Very low	29.3	Very low	77 Å²	77	143.9 Å²	143.9	79%	0.794	84%	0.84	S	S	*	*			cis	173.5	173.4	10.1	0	0	0	0	0	108.1
8	A	27.6	Very low	29	Very low	88 Å²	88	142.1 Å²	142.1	73%	0.727	84%	0.835	S	S	*	*			trans	-91.3	157.3	-154.8	0	0	0	0	0	116.8
9	T	27.5	Very low	29	Very low	129 Å²	129	144.4 Å²	144.4	79%	0.791	83%	0.834	S	S	*	*			trans	47.5	126.9	139.1	51.8	0	0	0	0	122.1
10	E	29.4	Very low	29	Very low	180 Å²	180	145.3 Å²	145.3	84%	0.841	84%	0.835	S	S	*	*				-177.1	130	109.5	-100.5	-177.6	156.5	0	0	115.6
11	K	27	Very low	29	Very low	186 Å²	186	147.9 Å²	147.9	81%	0.809	84%	0.837	S	S	*	*			trans	9.5	137.3	143.2	-67.8	173.5	174.5	176.4	0	119.5
12	T	27.3	Very low	28.8	Very low	128 Å²	128	141.6 Å²	141.6	79%	0.785	82%	0.817	S	S	*	*				-174.9	153.8	75	-58.7	0	0	0	0	112.7
13	Q	27.5	Very low	28.7	Very low	184 Å²	184	139.9 Å²	139.9	86%	0.86	81%	0.814	S	S	*	*			trans	-47.5	162.7	179.6	-60.6	157.4	-23.7	0	0	116
14	S	25.8	Very low	28.8	Very low	116 Å²	116	138.7 Å²	138.7	81%	0.811	81%	0.812	S	S	*	*			cis	-163.1	152.7	30.4	57.4	0	0	0	0	107.5
15	A	28.3	Very low	29.1	Very low	100 Å²	100	143.3 Å²	143.3	83%	0.826	82%	0.82	S	S	*	*				-174.4	152.6	70.3	0	0	0	0	0	110.5
16	L	30.3	Very low	29.2	Very low	163 Å²	163	143.9 Å²	143.9	85%	0.853	82%	0.824	S	S	*	*			trans	-80.8	174.2	179.7	-73.5	159.7	0	0	0	112.5
17	P	34.5	Very low	29.1	Very low	116 Å²	116	143.5 Å²	143.5	75%	0.753	83%	0.825	S	S	*	*			cis	-133	154.7	1.6	28.6	-6	0	0	0	117.2
18	C	24.8	Very low	29.2	Very low	110 Å²	110	142.7 Å²	142.7	74%	0.743	82%	0.817	S	S	*	*			trans	-15.7	142.3	142.4	-86.4	0	0	0	0	116.6
19	K	28.3	Very low	29.5	Very low	186 Å²	186	144.7 Å²	144.7	81%	0.809	82%	0.822	S	S	*	*			cis	-162.7	129.2	31.9	-105.7	157.3	-176.4	-179.9	0	109.1
20	D	28.3	Very low	29.9	Very low	162 Å²	162	144.9 Å²	144.9	87%	0.866	82%	0.819	S	S	*	*			trans	-81.5	140.5	153.3	-90.4	-38.6	0	0	0	109.4
21	K	30.3	Very low	30.3	Very low	200 Å²	200	140.1 Å²	140.1	87%	0.87	81%	0.805	S	S	*	*			trans	-140.5	111.6	152	-82.4	-156.2	171.9	-167.4	0	109.6
22	S	30.4	Very low	30.8	Very low	114 Å²	114	138 Å²	138	80%	0.797	80%	0.798	S	S	*	*			trans	-59.6	154.4	167.6	47.3	0	0	0	0	113.1
23	D	32	Very low	31.2	Very low	159 Å²	159	137.7 Å²	137.7	85%	0.85	79%	0.792	S	S	*	*			trans	-48.7	142.3	172.7	-59.1	-63.3	0	0	0	114.5
24	E	29.8	Very low	31.6	Very low	193 Å²	193	132.2 Å²	132.2	90%	0.902	77%	0.774	S	S	*	*			trans	-159.6	120.1	142.5	-118.4	175.8	-176.1	0	0	109.8
25	D	35.4	Very low	32.1	Very low	169 Å²	169	136.1 Å²	136.1	90%	0.904	77%	0.771	S	S	*	*			trans	-54.7	131.7	170.6	-102.3	-36.9	0	0	0	111.2
26	S	28.9	Very low	32.3	Very low	121 Å²	121	138.5 Å²	138.5	85%	0.846	77%	0.765	S	S	*	*			trans	-146.1	112	160.4	-95.8	0	0	0	0	112.1
27	C	30.2	Very low	32.7	Very low	132 Å²	132	134 Å²	134	89%	0.892	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-53.2	127.3	171.5	-153.7	0	0	0	0	111
28	G	28.8	Very low	32.9	Very low	60 Å²	60	132.8 Å²	132.8	62%	0.619	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-69.2	151.6	179.9	0	0	0	0	0	113.3
29	P	34.2	Very low	33.9	Very low	130 Å²	130	131.5 Å²	131.5	84%	0.844	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-74	134.8	-176.6	28.1	-31.3	0	0	0	112.4	S31	P29-S31 PolarHBondContact O-N 3.34Å; P29-S31 VanDerWaalsContact O-N 3.14Å
30	N	36.7	Very low	34.8	Very low	133 Å²	133	124.7 Å²	124.7	71%	0.711	72%	0.715	S	S	*	*			trans	-42.9	109.1	172.3	-83.7	-30.3	0	0	0	113.3	H32	N30-H32 PolarHBondContact O-N 3.39Å
31	S	37.2	Very low	35.9	Very low	80 Å²	80	120.2 Å²	120.2	56%	0.559	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.9	3.2	174.2	58.3	0	0	0	0	114.3	P29	P29-S31 PolarHBondContact O-N 3.34Å; P29-S31 VanDerWaalsContact O-N 3.14Å
32	H	38	Very low	37.5	Very low	141 Å²	141	114.6 Å²	114.6	65%	0.653	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.8	-32.9	-178.6	-76.3	-76.1	0	0	0	113.8	N30	N30-H32 PolarHBondContact O-N 3.39Å
33	N	35.2	Very low	38.9	Very low	122 Å²	122	110.2 Å²	110.2	65%	0.652	65%	0.654	S	S	*	*	H	α-helix	trans	-77.4	-25.1	-179	-85.6	1.4	0	0	0	114.1
34	S	36.3	Very low	40.2	Very low	69 Å²	69	103.6 Å²	103.6	48%	0.483	62%	0.624	S	S	.	*	H	α-helix	trans	-77.7	-27.4	-178.6	37.4	0	0	0	0	112.8	T38	S34-T38 WeakPolarHBondContact O-CB 3.34Å; S34-T38 PolarHBondContact O-N 3.3Å; S34-T38 VanDerWaalsContact O-N 3.13Å; S34-T38 PolarHBondContact O-OG1 3.38Å
35	R	35.4	Very low	42	Very low	199 Å²	199	103.9 Å²	103.9	75%	0.751	62%	0.616	S	S	*	*	H	α-helix	trans	-71.9	-39.6	177.8	-79.2	-178.9	161.7	174.6	-3.8	113.1	C39	R35-C39 VanDerWaalsContact O-CB 3.28Å; R35-C39 WeakPolarHBondContact O-CB 3.34Å; R35-C39 PolarHBondContact O-N 3.12Å
36	E	34.1	Very low	43.3	Very low	150 Å²	150	96.7 Å²	96.7	70%	0.701	58%	0.581	S	S	*	*	H	α-helix	trans	-69	-42.9	176.6	-85.8	-177.1	154	0	0	112.6	T38 C39 G40	E36-T38 VanDerWaalsContact C-N 3.33Å; E36-T38 PolarHBondContact O-N 2.9Å; E36-C39 PolarHBondContact O-N 2.92Å; E36-G40 PolarHBondContact O-N 3.28Å
37	A	37.7	Very low	45.1	Very low	69 Å²	69	97.9 Å²	97.9	57%	0.57	57%	0.567	S	S	*	*	H	α-helix	trans	-62.9	-39.7	176.3	0	0	0	0	0	112.3	G40 A41	A37-G40 PolarHBondContact O-N 3.33Å; A37-A41 PolarHBondContact O-N 3.17Å
38	T	40.1	Very low	46.8	Very low	90 Å²	90	100.6 Å²	100.6	55%	0.552	56%	0.558	S	S	*	*	H	α-helix	trans	-69.6	-38	177.4	-49.3	0	0	0	0	111.5	S34 E36 A41 T42	S34-T38 WeakPolarHBondContact O-CB 3.34Å; S34-T38 PolarHBondContact O-N 3.3Å; S34-T38 VanDerWaalsContact O-N 3.13Å; S34-T38 PolarHBondContact O-OG1 3.38Å; E36-T38 VanDerWaalsContact C-N 3.33Å; E36-T38 PolarHBondContact O-N 2.9Å; T38-A41 PolarHBondContact O-N 3.05Å; T38-T42 WeakPolarHBondContact O-CG2 3.46Å; T38-T42 PolarHBondContact O-N 2.9Å; T38-T42 PolarHBondContact O-OG1 2.98Å
39	C	44.3	Very low	48.7	Very low	82 Å²	82	100.5 Å²	100.5	55%	0.554	55%	0.546	S	S	*	.	H	α-helix	trans	-67.5	-36.5	176.3	-166.7	0	0	0	0	112.6	R35 E36 T42 A43	R35-C39 VanDerWaalsContact O-CB 3.28Å; R35-C39 WeakPolarHBondContact O-CB 3.34Å; R35-C39 PolarHBondContact O-N 3.12Å; E36-C39 PolarHBondContact O-N 2.92Å; C39-T42 WeakPolarHBondContact CA-OG1 3.37Å; C39-T42 PolarHBondContact O-OG1 3.32Å; C39-A43 WeakPolarHBondContact O-CB 3.3Å; C39-A43 PolarHBondContact O-N 2.83Å
40	G	46.8	Very low	50	Low	43 Å²	43	96.1 Å²	96.1	44%	0.443	52%	0.515	S	S	.	.	H	α-helix	trans	-65	-41.5	174.4	0	0	0	0	0	113.1	E36 A37 G44	E36-G40 PolarHBondContact O-N 3.28Å; A37-G40 PolarHBondContact O-N 3.33Å; G40-G44 PolarHBondContact O-N 2.73Å
41	A	53.2	Low	51.4	Low	68 Å²	68	93.2 Å²	93.2	56%	0.562	50%	0.499	S	S	*	.	H	α-helix	trans	-67.2	-38.7	178.2	0	0	0	0	0	112.8	A37 T38 R45	A37-A41 PolarHBondContact O-N 3.17Å; T38-A41 PolarHBondContact O-N 3.05Å; A41-R45 PolarHBondContact O-N 3.34Å; A41-R45 VanDerWaalsContact O-N 3.11Å
42	T	62.1	Low	52.8	Low	83 Å²	83	97.1 Å²	97.1	51%	0.509	50%	0.502	S	S	.	.	H	α-helix	trans	-70.3	-41.5	176.6	54.6	0	0	0	0	111.9	T38 C39 G44 R45 A46	T38-T42 WeakPolarHBondContact O-CG2 3.46Å; T38-T42 PolarHBondContact O-N 2.9Å; T38-T42 PolarHBondContact O-OG1 2.98Å; C39-T42 WeakPolarHBondContact CA-OG1 3.37Å; C39-T42 PolarHBondContact O-OG1 3.32Å; T42-G44 PolarHBondContact O-N 2.7Å; T42-R45 PolarHBondContact O-N 3.49Å; T42-A46 WeakPolarHBondContact O-CB 3.32Å; T42-A46 PolarHBondContact O-N 3.4Å
43	A	60.2	Low	54.1	Low	22 Å²	22	93 Å²	93	18%	0.182	48%	0.483	C	S	.	.	H	α-helix	trans	-65	-37.3	175.6	0	0	0	0	0	112.7	C39 R47 V68	C39-A43 WeakPolarHBondContact O-CB 3.3Å; C39-A43 PolarHBondContact O-N 2.83Å; A43-R47 WeakPolarHBondContact O-CB 3.37Å; A43-R47 WeakPolarHBondContact O-CG 3.22Å; A43-R47 PolarHBondContact O-N 2.97Å; A43-R47 PolarHBondContact O-NE 3.32Å; A43-V68 HydrophobicContact CB-CG1 4.24Å
44	G	60.7	Low	55.5	Low	20 Å²	20	90.1 Å²	90.1	21%	0.206	47%	0.469	C	S	.	.	H	α-helix	trans	-61.6	-48.6	172.5	0	0	0	0	0	111.8	G40 T42 A46 R47 W48	G40-G44 PolarHBondContact O-N 2.73Å; T42-G44 PolarHBondContact O-N 2.7Å; G44-A46 VanDerWaalsContact C-N 3.35Å; G44-A46 PolarHBondContact O-N 3.35Å; G44-R47 PolarHBondContact O-N 2.89Å; G44-W48 PolarHBondContact O-N 3.08Å
45	R	65.8	Low	56.7	Low	198 Å²	198	90.3 Å²	90.3	75%	0.747	46%	0.464	S	S	*	.	H	α-helix	trans	-61.9	-39.7	178.3	-173.2	175.4	179.6	168.4	-0.4	112.9	A41 T42 W48 T49	A41-R45 PolarHBondContact O-N 3.34Å; A41-R45 VanDerWaalsContact O-N 3.11Å; T42-R45 PolarHBondContact O-N 3.49Å; R45-W48 PolarHBondContact O-N 2.75Å; R45-T49 WeakPolarHBondContact O-CB 3.49Å; R45-T49 PolarHBondContact O-N 3Å; R45-T49 PolarHBondContact O-OG1 2.85Å
46	A	64	Low	58	Low	19 Å²	19	88.2 Å²	88.2	16%	0.157	46%	0.456	C	S	.	.	H	α-helix	trans	-65.8	-41	176	0	0	0	0	0	112	T42 G44 T49 L50 V68	T42-A46 WeakPolarHBondContact O-CB 3.32Å; T42-A46 PolarHBondContact O-N 3.4Å; G44-A46 VanDerWaalsContact C-N 3.35Å; G44-A46 PolarHBondContact O-N 3.35Å; A46-T49 WeakPolarHBondContact O-CB 3.48Å; A46-T49 PolarHBondContact O-N 3.21Å; A46-L50 PolarHBondContact O-N 3.04Å; A46-V68 HydrophobicContact CB-CB 4.34Å; A46-V68 HydrophobicContact CB-CG1 3.91Å; A46-V68 HydrophobicContact CB-CG2 3.64Å
47	R	66.6	Low	59.1	Low	146 Å²	146	88.5 Å²	88.5	55%	0.551	46%	0.458	S	S	*	.	H	α-helix	trans	-62.4	-43.2	173.3	-76.9	-177	-85.9	-173.6	-5.9	112.8	A43 G44 T49 L50 L51 V68	A43-R47 WeakPolarHBondContact O-CB 3.37Å; A43-R47 WeakPolarHBondContact O-CG 3.22Å; A43-R47 PolarHBondContact O-N 2.97Å; A43-R47 PolarHBondContact O-NE 3.32Å; G44-R47 PolarHBondContact O-N 2.89Å; R47-T49 VanDerWaalsContact C-N 3.29Å; R47-T49 PolarHBondContact O-N 3.23Å; R47-L50 WeakPolarHBondContact O-CB 3.34Å; R47-L50 PolarHBondContact O-N 2.88Å; R47-L51 PolarHBondContact O-N 3.35Å; R47-V68 HydrophobicContact CG-CB 4.29Å; R47-V68 HydrophobicContact CG-CG2 4.2Å
48	W	65.5	Low	59.8	Low	188 Å²	188	92 Å²	92	71%	0.712	46%	0.46	S	S	*	.	H	α-helix	trans	-63.8	-34.9	173.9	-80.3	109.4	0	0	0	112.9	G44 R45 L51 R52	G44-W48 PolarHBondContact O-N 3.08Å; R45-W48 PolarHBondContact O-N 2.75Å; W48-L51 HydrophobicContact CE3-CD2 4.1Å; W48-L51 HydrophobicContact CZ3-CD2 3.96Å; W48-R52 VanDerWaalsContact O-CB 3.32Å; W48-R52 WeakPolarHBondContact O-CB 3.31Å; W48-R52 PolarHBondContact O-N 2.94Å
49	T	69.3	Low	60.3	Low	58 Å²	58	96.3 Å²	96.3	36%	0.356	47%	0.474	S	S	.	.	H	α-helix	trans	-67	-44.3	175.8	-57.8	0	0	0	0	111.1	R45 A46 R47 R52 Q53	R45-T49 WeakPolarHBondContact O-CB 3.49Å; R45-T49 PolarHBondContact O-N 3Å; R45-T49 PolarHBondContact O-OG1 2.85Å; A46-T49 WeakPolarHBondContact O-CB 3.48Å; A46-T49 PolarHBondContact O-N 3.21Å; R47-T49 VanDerWaalsContact C-N 3.29Å; R47-T49 PolarHBondContact O-N 3.23Å; T49-R52 PolarHBondContact O-N 3.41Å; T49-Q53 VanDerWaalsContact O-CG 3.3Å; T49-Q53 WeakPolarHBondContact O-CG 3.44Å; T49-Q53 PolarHBondContact O-N 3.42Å
50	L	61.9	Low	60.7	Low	39 Å²	39	95 Å²	95	20%	0.204	46%	0.464	C	S	.	.	H	α-helix	trans	-57.5	-52.3	173.7	176.9	57.3	0	0	0	111.3	A46 R47 R52 Q53 V54 T60 V65	A46-L50 PolarHBondContact O-N 3.04Å; R47-L50 WeakPolarHBondContact O-CB 3.34Å; R47-L50 PolarHBondContact O-N 2.88Å; L50-R52 VanDerWaalsContact C-N 3.31Å; L50-R52 PolarHBondContact O-N 2.79Å; L50-Q53 PolarHBondContact O-N 3.39Å; L50-Q53 VanDerWaalsContact O-N 3.1Å; L50-V54 HydrophobicContact CD1-CG2 4.02Å; L50-V54 WeakPolarHBondContact O-CG2 3.08Å; L50-V54 PolarHBondContact O-N 3.38Å; L50-T60 HydrophobicContact CD1-CG2 3.8Å; L50-V65 HydrophobicContact CB-CG1 3.61Å; L50-V65 HydrophobicContact CD1-CG1 3.37Å; L50-V65 HydrophobicContact CD2-CG1 4.04Å; L50-V65 HydrophobicContact CG-CG1 3.82Å
51	L	64.6	Low	60.9	Low	72 Å²	72	98.2 Å²	98.2	38%	0.377	47%	0.471	S	S	.	.	H	α-helix	trans	-57.1	-46	178.9	179.8	62.3	0	0	0	111.2	R47 W48 Q53 V54 L55	R47-L51 PolarHBondContact O-N 3.35Å; W48-L51 HydrophobicContact CE3-CD2 4.1Å; W48-L51 HydrophobicContact CZ3-CD2 3.96Å; L51-Q53 VanDerWaalsContact C-N 3.31Å; L51-Q53 PolarHBondContact O-N 2.94Å; L51-V54 PolarHBondContact O-N 3.04Å; L51-L55 HydrophobicContact CD1-CD1 4.19Å; L51-L55 HydrophobicContact CD1-CG 4.17Å; L51-L55 HydrophobicContact CG-CD1 4.12Å; L51-L55 HydrophobicContact CG-CG 4.45Å; L51-L55 WeakPolarHBondContact O-CB 3.29Å; L51-L55 VanDerWaalsContact O-CG 3.28Å; L51-L55 WeakPolarHBondContact O-CG 3.1Å; L51-L55 PolarHBondContact O-N 2.96Å
52	R	66.8	Low	61	Low	162 Å²	162	96.7 Å²	96.7	61%	0.611	46%	0.456	S	S	*	.	H	α-helix	trans	-61.3	-37.1	177.7	-170.9	-177.8	-166	-166.2	7.4	112.7	W48 T49 L50 R56	W48-R52 VanDerWaalsContact O-CB 3.32Å; W48-R52 WeakPolarHBondContact O-CB 3.31Å; W48-R52 PolarHBondContact O-N 2.94Å; T49-R52 PolarHBondContact O-N 3.41Å; L50-R52 VanDerWaalsContact C-N 3.31Å; L50-R52 PolarHBondContact O-N 2.79Å; R52-R56 WeakPolarHBondContact O-CB 3.42Å; R52-R56 WeakPolarHBondContact O-CG 3.45Å; R52-R56 PolarHBondContact O-N 2.86Å
53	Q	66.1	Low	60.6	Low	55 Å²	55	97.1 Å²	97.1	26%	0.257	46%	0.46	S	S	.	.	H	α-helix	trans	-71.5	-43.5	178.6	-74.5	172.1	-14.3	0	0	111.7	T49 L50 L51 R56 Q57 K58 T60	T49-Q53 VanDerWaalsContact O-CG 3.3Å; T49-Q53 WeakPolarHBondContact O-CG 3.44Å; T49-Q53 PolarHBondContact O-N 3.42Å; L50-Q53 PolarHBondContact O-N 3.39Å; L50-Q53 VanDerWaalsContact O-N 3.1Å; L51-Q53 VanDerWaalsContact C-N 3.31Å; L51-Q53 PolarHBondContact O-N 2.94Å; Q53-R56 CarbonylContact O-C 3.6Å; Q53-R56 PolarHBondContact O-N 3.47Å; Q53-R56 VanDerWaalsContact O-N 3.16Å; Q53-Q57 PolarHBondContact O-N 2.91Å; Q53-K58 PolarHBondContact O-N 3.49Å; Q53-T60 HydrophobicContact CB-CG2 3.86Å
54	V	64.1	Low	60.4	Low	61 Å²	61	103 Å²	103	37%	0.37	48%	0.484	S	S	.	.	H	α-helix	trans	-60.4	-47.1	175.4	172.2	0	0	0	0	110.8	L50 L51 R56 Q57 T60 L119	L50-V54 HydrophobicContact CD1-CG2 4.02Å; L50-V54 WeakPolarHBondContact O-CG2 3.08Å; L50-V54 PolarHBondContact O-N 3.38Å; L51-V54 PolarHBondContact O-N 3.04Å; V54-R56 PolarHBondContact O-N 2.81Å; V54-Q57 PolarHBondContact O-N 3.5Å; V54-Q57 VanDerWaalsContact O-N 3.14Å; V54-T60 HydrophobicContact CG2-CG2 4.4Å; V54-L119 HydrophobicContact CG1-CD1 4.08Å
55	L	61.7	Low	60.2	Low	72 Å²	72	102.6 Å²	102.6	38%	0.377	48%	0.477	S	S	.	.	H	α-helix	trans	-64.9	-23.9	177.5	-69	-178.1	0	0	0	113.5	L51 V121	L51-L55 HydrophobicContact CD1-CD1 4.19Å; L51-L55 HydrophobicContact CD1-CG 4.17Å; L51-L55 HydrophobicContact CG-CD1 4.12Å; L51-L55 HydrophobicContact CG-CG 4.45Å; L51-L55 WeakPolarHBondContact O-CB 3.29Å; L51-L55 VanDerWaalsContact O-CG 3.28Å; L51-L55 WeakPolarHBondContact O-CG 3.1Å; L51-L55 PolarHBondContact O-N 2.96Å; L55-V121 HydrophobicContact CD1-CG2 4.47Å; L55-V121 HydrophobicContact CD2-CG2 3.67Å
56	R	63.3	Low	59.9	Low	155 Å²	155	98.1 Å²	98.1	59%	0.585	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	7.5	177.9	-69.2	179.1	111.9	177.1	4.7	113.4	R52 Q53 V54 K58	R52-R56 WeakPolarHBondContact O-CB 3.42Å; R52-R56 WeakPolarHBondContact O-CG 3.45Å; R52-R56 PolarHBondContact O-N 2.86Å; Q53-R56 CarbonylContact O-C 3.6Å; Q53-R56 PolarHBondContact O-N 3.47Å; Q53-R56 VanDerWaalsContact O-N 3.16Å; V54-R56 PolarHBondContact O-N 2.81Å; R56-K58 PolarHBondContact O-N 2.66Å; R56-K58 VanDerWaalsContact O-N 3.15Å
57	Q	57.3	Low	59.5	Low	157 Å²	157	101.9 Å²	101.9	73%	0.734	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.9	30.9	179.5	-57.5	177.7	-2.8	0	0	113.9	Q53 V54	Q53-Q57 PolarHBondContact O-N 2.91Å; V54-Q57 PolarHBondContact O-N 3.5Å; V54-Q57 VanDerWaalsContact O-N 3.14Å
58	K	51.6	Low	59.2	Low	142 Å²	142	96.8 Å²	96.8	62%	0.617	46%	0.463	S	S	*	.			trans	-92.6	140	174.2	-68.8	-167.1	174.7	-166.4	0	109.8	Q53 R56 T60	Q53-K58 PolarHBondContact O-N 3.49Å; R56-K58 PolarHBondContact O-N 2.66Å; R56-K58 VanDerWaalsContact O-N 3.15Å; K58-T60 PolarHBondContact O-N 2.99Å
59	Q	49.6	Very low	59.3	Low	180 Å²	180	89 Å²	89	84%	0.841	44%	0.437	S	S	*	.			trans	-56.6	132.1	175.3	-80.4	-171.8	-5.9	0	0	110.9
60	T	52.5	Low	59.3	Low	55 Å²	55	89.6 Å²	89.6	34%	0.337	44%	0.44	S	S	.	.			trans	-101.6	91	-178.7	40	0	0	0	0	110.2	L50 Q53 V54 K58	L50-T60 HydrophobicContact CD1-CG2 3.8Å; Q53-T60 HydrophobicContact CB-CG2 3.86Å; V54-T60 HydrophobicContact CG2-CG2 4.4Å; K58-T60 PolarHBondContact O-N 2.99Å
61	D	51	Low	59.8	Low	110 Å²	110	90.4 Å²	90.4	59%	0.588	44%	0.441	S	S	*	.			trans	-122.5	15.6	176.3	-93	-35.4	0	0	0	114.7	P63 K66	D61-P63 WeakPolarHBondContact O-CD 3.3Å; D61-K66 IonicContact OD1-NZ 3.92Å; D61-K66 PolarHBondContact OD1-NZ 3.42Å
62	S	55.4	Low	60.5	Low	37 Å²	37	90.2 Å²	90.2	26%	0.259	44%	0.435	S	S	.	.			trans	-75.5	125.7	174.1	52.5	0	0	0	0	111.6	E64 V65 K66	S62-E64 VanDerWaalsContact C-N 3.29Å; S62-E64 PolarHBondContact O-N 3.32Å; S62-V65 WeakPolarHBondContact O-CB 3.18Å; S62-V65 PolarHBondContact O-N 3.02Å; S62-V65 WeakPolarHBondContact OG-CB 3.49Å; S62-V65 WeakPolarHBondContact OG-CG2 3.04Å; S62-K66 PolarHBondContact O-N 3Å
63	P	55.3	Low	61.2	Low	92 Å²	92	83.2 Å²	83.2	60%	0.597	41%	0.409	S	S	*	.	H	α-helix	trans	-62.4	-33	-177.4	20.6	-30.4	0	0	0	113.2	D61 V65 K66 Q67	D61-P63 WeakPolarHBondContact O-CD 3.3Å; P63-V65 PolarHBondContact O-N 2.89Å; P63-K66 PolarHBondContact O-N 2.89Å; P63-Q67 PolarHBondContact O-N 2.72Å; P63-Q67 VanDerWaalsContact O-N 3.13Å
64	E	55.6	Low	62.1	Low	146 Å²	146	82.8 Å²	82.8	68%	0.682	42%	0.415	S	S	*	.	H	α-helix	trans	-61.2	-30.6	175.1	-63.6	165.3	-177.2	0	0	112.7	S62	S62-E64 VanDerWaalsContact C-N 3.29Å; S62-E64 PolarHBondContact O-N 3.32Å
65	V	56.7	Low	63.3	Low	10 Å²	10	82.2 Å²	82.2	6%	0.061	41%	0.412	C	S	.	.	H	α-helix	trans	-82.9	-33.4	179.6	167.5	0	0	0	0	111.3	L50 S62 P63 Q67 V68 S69	L50-V65 HydrophobicContact CB-CG1 3.61Å; L50-V65 HydrophobicContact CD1-CG1 3.37Å; L50-V65 HydrophobicContact CD2-CG1 4.04Å; L50-V65 HydrophobicContact CG-CG1 3.82Å; S62-V65 WeakPolarHBondContact O-CB 3.18Å; S62-V65 PolarHBondContact O-N 3.02Å; S62-V65 WeakPolarHBondContact OG-CB 3.49Å; S62-V65 WeakPolarHBondContact OG-CG2 3.04Å; P63-V65 PolarHBondContact O-N 2.89Å; V65-Q67 VanDerWaalsContact C-N 3.33Å; V65-V68 WeakPolarHBondContact O-CG2 3.37Å; V65-S69 PolarHBondContact O-N 2.83Å
66	K	58.2	Low	64.9	Low	105 Å²	105	79 Å²	79	46%	0.457	39%	0.394	S	S	.	.	H	α-helix	trans	-64.3	-38.6	172.4	-70.4	-178.7	-178.5	169.6	0	111.1	D61 S62 P63 V68 S69	D61-K66 IonicContact OD1-NZ 3.92Å; D61-K66 PolarHBondContact OD1-NZ 3.42Å; S62-K66 PolarHBondContact O-N 3Å; P63-K66 PolarHBondContact O-N 2.89Å; K66-V68 VanDerWaalsContact C-N 3.34Å; K66-V68 PolarHBondContact O-N 2.89Å; K66-S69 PolarHBondContact O-N 3.33Å
67	Q	57	Low	66.3	Low	97 Å²	97	77.2 Å²	77.2	45%	0.453	40%	0.397	S	S	.	.	H	α-helix	trans	-62.5	-34	179.5	-75.5	-179.1	-3.1	0	0	114.3	P63 V65 R72	P63-Q67 PolarHBondContact O-N 2.72Å; P63-Q67 VanDerWaalsContact O-N 3.13Å; V65-Q67 VanDerWaalsContact C-N 3.33Å; Q67-R72 PolarHBondContact O-NH1 3.34Å
68	V	60.3	Low	68.2	Low	40 Å²	40	69.8 Å²	69.8	24%	0.242	36%	0.362	C	S	.	.	H	α-helix	trans	-91.2	-6.1	178.3	-61.8	0	0	0	0	113.7	A43 A46 R47 V65 K66	A43-V68 HydrophobicContact CB-CG1 4.24Å; A46-V68 HydrophobicContact CB-CB 4.34Å; A46-V68 HydrophobicContact CB-CG1 3.91Å; A46-V68 HydrophobicContact CB-CG2 3.64Å; R47-V68 HydrophobicContact CG-CB 4.29Å; R47-V68 HydrophobicContact CG-CG2 4.2Å; V65-V68 WeakPolarHBondContact O-CG2 3.37Å; K66-V68 VanDerWaalsContact C-N 3.34Å; K66-V68 PolarHBondContact O-N 2.89Å
69	S	67.4	Low	70.3	Confident	25 Å²	25	63.7 Å²	63.7	18%	0.175	34%	0.335	C	S	.	.			trans	-83.3	132.2	179	-175.3	0	0	0	0	110.5	V65 K66 R71 R72	V65-S69 PolarHBondContact O-N 2.83Å; K66-S69 PolarHBondContact O-N 3.33Å; S69-R71 PolarHBondContact O-N 2.87Å; S69-R71 VanDerWaalsContact O-N 3.13Å; S69-R71 WeakPolarHBondContact OG-CB 3.47Å; S69-R71 PolarHBondContact OG-N 3.05Å; S69-R71 VanDerWaalsContact OG-N 3.09Å; S69-R72 VanDerWaalsContact O-CG 3.3Å; S69-R72 WeakPolarHBondContact O-CG 3.34Å; S69-R72 PolarHBondContact O-N 2.94Å; S69-R72 VanDerWaalsContact O-N 3.15Å
70	V	67.9	Low	72.4	Confident	69 Å²	69	63.6 Å²	63.6	42%	0.418	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-62.8	-13.6	167.5	-64.4	0	0	0	0	112.3	R72 W137 I319 H320	V70-R72 VanDerWaalsContact C-N 3.33Å; V70-W137 HydrophobicContact CG2-CH2 4.42Å; V70-W137 HydrophobicContact CG2-CZ3 4.38Å; V70-I319 HydrophobicContact CB-CG2 4.24Å; V70-I319 HydrophobicContact CG1-CG2 4.05Å; V70-H320 PolarHBondContact O-NE2 3.48Å
71	R	74.1	Confident	74.2	Confident	57 Å²	57	66.2 Å²	66.2	22%	0.215	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-87.6	10.7	174.9	-74.4	-74.2	-170.8	172.5	0.5	114.2	S69 F73 C135 V136 W137	S69-R71 PolarHBondContact O-N 2.87Å; S69-R71 VanDerWaalsContact O-N 3.13Å; S69-R71 WeakPolarHBondContact OG-CB 3.47Å; S69-R71 PolarHBondContact OG-N 3.05Å; S69-R71 VanDerWaalsContact OG-N 3.09Å; R71-F73 PolarHBondContact O-N 2.88Å; R71-C135 PolarHBondContact NH1-SG 2.78Å; R71-C135 PolarHBondContact NH2-O 3.47Å; R71-C135 PolarHBondContact NH2-SG 3.02Å; R71-V136 PolarHBondContact NH1-O 3.25Å; R71-W137 HydrophobicContact CG-CH2 4.25Å; R71-W137 HydrophobicContact CG-CZ3 4.32Å; R71-W137 VanDerWaalsContact NE-CZ3 3.34Å; R71-W137 VanDerWaalsContact NH2-CD2 3.32Å
72	R	78.1	Confident	76	Confident	68 Å²	68	67.4 Å²	67.4	26%	0.257	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-57.8	-27.4	170.7	59.8	-173.8	151.4	-169.2	6.7	113.2	Q67 S69 V70 K312 Q313 A314 D316	Q67-R72 PolarHBondContact O-NH1 3.34Å; S69-R72 VanDerWaalsContact O-CG 3.3Å; S69-R72 WeakPolarHBondContact O-CG 3.34Å; S69-R72 PolarHBondContact O-N 2.94Å; S69-R72 VanDerWaalsContact O-N 3.15Å; V70-R72 VanDerWaalsContact C-N 3.33Å; R72-K312 PolarHBondContact NH1-O 3.33Å; R72-Q313 WeakPolarHBondContact CD-O 3.4Å; R72-A314 CarbonylContact C-O 3.52Å; R72-A314 WeakPolarHBondContact CG-O 3.46Å; R72-D316 IonicContact NH2-OD2 3.78Å
73	F	82.9	Confident	77.5	Confident	14 Å²	14	72 Å²	72	6%	0.061	35%	0.346	C	S	.	.	S	Bend	trans	-119.9	129.7	163.2	177.2	-100.5	0	0	0	108.4	R71 T75 F76 P138 V303 M307 Y315 H320	R71-F73 PolarHBondContact O-N 2.88Å; F73-T75 WeakPolarHBondContact CE2-O 3.47Å; F73-T75 WeakPolarHBondContact CZ-O 3.33Å; F73-F76 AromaticContact CE1-CD2 3.73Å; F73-F76 HydrophobicContact CE1-CD2 3.73Å; F73-F76 AromaticContact CE1-CE2 3.47Å; F73-F76 HydrophobicContact CE1-CE2 3.47Å; F73-F76 VanDerWaalsContact CE1-CE2 3.47Å; F73-F76 HydrophobicContact CE1-CG 4.4Å; F73-F76 AromaticContact CE1-CZ 3.91Å; F73-F76 HydrophobicContact CE1-CZ 3.91Å; F73-F76 HydrophobicContact CZ-CD1 4.19Å; F73-F76 AromaticContact CZ-CD2 3.75Å; F73-F76 HydrophobicContact CZ-CD2 3.75Å; F73-F76 HydrophobicContact CZ-CE1 4.18Å; F73-F76 AromaticContact CZ-CE2 3.78Å; F73-F76 HydrophobicContact CZ-CE2 3.78Å; F73-F76 AromaticContact CZ-CG 3.96Å; F73-F76 HydrophobicContact CZ-CG 3.96Å; F73-F76 AromaticContact CZ-CZ 3.97Å; F73-F76 HydrophobicContact CZ-CZ 3.97Å; F73-P138 HydrophobicContact CD1-CB 4.5Å; F73-P138 HydrophobicContact CD1-CG 4.14Å; F73-P138 HydrophobicContact CE1-CB 4.09Å; F73-P138 HydrophobicContact CE1-CG 4.17Å; F73-V303 HydrophobicContact CZ-CG1 4.46Å; F73-M307 HydrophobicContact CD2-CE 3.83Å; F73-M307 HydrophobicContact CD2-CG 4.2Å; F73-M307 HydrophobicContact CD2-SD 4.36Å; F73-M307 HydrophobicContact CE2-CE 4.29Å; F73-M307 HydrophobicContact CE2-CG 3.75Å; F73-M307 HydrophobicContact CE2-SD 4.23Å; F73-Y315 HydrophobicContact CB-CD2 4.07Å; F73-Y315 AromaticContact CD1-CD2 3.91Å; F73-Y315 HydrophobicContact CD1-CD2 3.91Å; F73-Y315 AromaticContact CD1-CE2 3.9Å; F73-Y315 HydrophobicContact CD1-CE2 3.9Å; F73-Y315 AromaticContact CD2-CD2 3.75Å; F73-Y315 HydrophobicContact CD2-CD2 3.75Å; F73-Y315 HydrophobicContact CD2-CE2 4.27Å; F73-Y315 HydrophobicContact CE1-CD2 4.2Å; F73-Y315 AromaticContact CE1-CE2 3.81Å; F73-Y315 HydrophobicContact CE1-CE2 3.81Å; F73-Y315 HydrophobicContact CE2-CD2 4.06Å; F73-Y315 HydrophobicContact CE2-CE2 4.2Å; F73-Y315 AromaticContact CG-CD2 3.63Å; F73-Y315 HydrophobicContact CG-CD2 3.63Å; F73-Y315 HydrophobicContact CG-CE2 4.1Å; F73-Y315 HydrophobicContact CZ-CD2 4.26Å; F73-Y315 AromaticContact CZ-CE2 3.95Å; F73-Y315 HydrophobicContact CZ-CE2 3.95Å; F73-H320 HydrophobicContact CD1-CB 3.7Å; F73-H320 AromaticContact CD1-CG 3.91Å; F73-H320 HydrophobicContact CE1-CB 4.28Å; F73-H320 HydrophobicContact CG-CB 4.4Å
74	A	84	Confident	78.8	Confident	47 Å²	47	69 Å²	69	39%	0.388	33%	0.325	S	S	.	.			trans	-121.2	-21.8	-169.8	0	0	0	0	0	114.2
75	T	90.1	Very high	79.4	Confident	49 Å²	49	65.2 Å²	65.2	30%	0.301	32%	0.315	S	S	.	.			trans	-161.5	151.6	-172.1	179.9	0	0	0	0	111.9	F73 D77 E141	F73-T75 WeakPolarHBondContact CE2-O 3.47Å; F73-T75 WeakPolarHBondContact CZ-O 3.33Å; T75-D77 VanDerWaalsContact C-N 3.31Å; T75-D77 WeakPolarHBondContact CG2-OD1 3.48Å; T75-D77 PolarHBondContact OG1-N 2.65Å; T75-E141 WeakPolarHBondContact CA-OE2 3.26Å; T75-E141 WeakPolarHBondContact CB-OE2 3.44Å; T75-E141 PolarHBondContact OG1-OE1 3.23Å; T75-E141 PolarHBondContact OG1-OE2 3.41Å
76	F	93.9	Very high	79.5	Confident	3 Å²	3	68.8 Å²	68.8	1%	0.013	35%	0.345	C	S	.	.			trans	-89.2	5.5	167.9	-76.9	-97.5	0	0	0	112.9	F73 L78 P138 E141 V142 V300 V303 Y321 P322	F73-F76 AromaticContact CE1-CD2 3.73Å; F73-F76 HydrophobicContact CE1-CD2 3.73Å; F73-F76 AromaticContact CE1-CE2 3.47Å; F73-F76 HydrophobicContact CE1-CE2 3.47Å; F73-F76 VanDerWaalsContact CE1-CE2 3.47Å; F73-F76 HydrophobicContact CE1-CG 4.4Å; F73-F76 AromaticContact CE1-CZ 3.91Å; F73-F76 HydrophobicContact CE1-CZ 3.91Å; F73-F76 HydrophobicContact CZ-CD1 4.19Å; F73-F76 AromaticContact CZ-CD2 3.75Å; F73-F76 HydrophobicContact CZ-CD2 3.75Å; F73-F76 HydrophobicContact CZ-CE1 4.18Å; F73-F76 AromaticContact CZ-CE2 3.78Å; F73-F76 HydrophobicContact CZ-CE2 3.78Å; F73-F76 AromaticContact CZ-CG 3.96Å; F73-F76 HydrophobicContact CZ-CG 3.96Å; F73-F76 AromaticContact CZ-CZ 3.97Å; F73-F76 HydrophobicContact CZ-CZ 3.97Å; F76-L78 HydrophobicContact CB-CD1 3.7Å; F76-L78 HydrophobicContact CB-CD2 4.4Å; F76-L78 HydrophobicContact CB-CG 3.66Å; F76-L78 PolarHBondContact O-N 3.12Å; F76-P138 HydrophobicContact CD2-CB 3.97Å; F76-P138 HydrophobicContact CE2-CB 3.79Å; F76-E141 PolarHBondContact N-OE2 3Å; F76-V142 HydrophobicContact CB-CG2 4.35Å; F76-V142 HydrophobicContact CD1-CG2 4.35Å; F76-V142 HydrophobicContact CD2-CG2 3.42Å; F76-V142 VanDerWaalsContact CD2-CG2 3.42Å; F76-V142 HydrophobicContact CE2-CG2 3.69Å; F76-V142 HydrophobicContact CG-CG2 3.8Å; F76-V142 HydrophobicContact CZ-CG2 4.31Å; F76-V300 HydrophobicContact CD1-CG1 4.12Å; F76-V300 HydrophobicContact CE1-CG1 3.89Å; F76-V300 HydrophobicContact CZ-CG1 4.45Å; F76-V303 HydrophobicContact CB-CG1 4.45Å; F76-V303 HydrophobicContact CD1-CB 3.75Å; F76-V303 HydrophobicContact CD1-CG1 3.5Å; F76-V303 VanDerWaalsContact CD1-CG1 3.5Å; F76-V303 HydrophobicContact CE1-CB 4.32Å; F76-V303 HydrophobicContact CE1-CG1 4.06Å; F76-V303 HydrophobicContact CG-CG1 4.25Å; F76-Y321 HydrophobicContact CE1-CD2 4.42Å; F76-Y321 HydrophobicContact CZ-CD2 4.15Å; F76-P322 HydrophobicContact CE2-CG 4.43Å
77	D	93.9	Very high	79.1	Confident	119 Å²	119	72.8 Å²	72.8	64%	0.636	37%	0.366	S	S	*	.	S	Bend	trans	54.9	34.6	-176	-67	-44.9	0	0	0	113.1	T75 V103 E141	T75-D77 VanDerWaalsContact C-N 3.31Å; T75-D77 WeakPolarHBondContact CG2-OD1 3.48Å; T75-D77 PolarHBondContact OG1-N 2.65Å; D77-V103 WeakPolarHBondContact O-CG2 3.41Å; D77-E141 PolarHBondContact N-OE1 3.34Å
78	L	96.8	Very high	78.9	Confident	0 Å²	0	74 Å²	74	0%	0	37%	0.372	C	S	.	.			trans	-83.8	-20.4	-179.2	-58.2	170.7	0	0	0	111.7	F76 V103 Y104 E141 V142 H145 Q299 V300	F76-L78 HydrophobicContact CB-CD1 3.7Å; F76-L78 HydrophobicContact CB-CD2 4.4Å; F76-L78 HydrophobicContact CB-CG 3.66Å; F76-L78 PolarHBondContact O-N 3.12Å; L78-V103 PolarHBondContact O-N 2.89Å; L78-Y104 HydrophobicContact CD2-CD2 4.46Å; L78-Y104 HydrophobicContact CD2-CE2 3.87Å; L78-E141 HydrophobicContact CB-CG 4.18Å; L78-E141 HydrophobicContact CD1-CG 4.4Å; L78-E141 PolarHBondContact N-OE1 3.24Å; L78-V142 HydrophobicContact CD1-CB 4.49Å; L78-V142 HydrophobicContact CD1-CG2 3.91Å; L78-H145 HydrophobicContact CB-CB 4.13Å; L78-H145 HydrophobicContact CD1-CB 3.63Å; L78-H145 HydrophobicContact CG-CB 4.34Å; L78-Q299 HydrophobicContact CD2-CB 4.42Å; L78-V300 HydrophobicContact CD1-CG2 3.94Å
79	F	96.1	Very high	78.7	Confident	14 Å²	14	75.3 Å²	75.3	6%	0.061	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	135.2	177.4	-68.4	-96.9	0	0	0	111.9	Y100 R101 E141 A144 H145 L148 M172	F79-Y100 HydrophobicContact CB-CD1 3.89Å; F79-Y100 HydrophobicContact CG-CD1 4.39Å; F79-R101 CarbonylContact C-O 3.44Å; F79-R101 WeakPolarHBondContact CA-O 3.42Å; F79-E141 HydrophobicContact CD2-CG 3.74Å; F79-E141 HydrophobicContact CE2-CG 4.28Å; F79-E141 PolarHBondContact N-OE1 3.48Å; F79-A144 HydrophobicContact CE2-CB 3.95Å; F79-A144 HydrophobicContact CZ-CB 3.84Å; F79-H145 HydrophobicContact CE2-CB 4.12Å; F79-L148 HydrophobicContact CE1-CD1 3.94Å; F79-L148 HydrophobicContact CZ-CD1 3.83Å; F79-M172 HydrophobicContact CE1-CE 4.05Å; F79-M172 HydrophobicContact CE1-CG 4.12Å; F79-M172 HydrophobicContact CE1-SD 3.84Å; F79-M172 HydrophobicContact CZ-CG 4.06Å; F79-M172 HydrophobicContact CZ-SD 4.36Å
80	R	94.1	Very high	77.6	Confident	178 Å²	178	80.1 Å²	80.1	67%	0.672	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.6	128.1	166.8	-61.5	-173.2	179.8	171.8	1.3	109.2	Y100 R101 V103	R80-Y100 WeakPolarHBondContact O-CA 3.37Å; R80-R101 PolarHBondContact N-O 2.79Å; R80-R101 PolarHBondContact O-N 3.03Å; R80-V103 HydrophobicContact CG-CG2 3.72Å
81	R	89.7	Confident	76.6	Confident	110 Å²	110	83 Å²	83	42%	0.415	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	116.2	174.7	-175.9	178.4	-175.6	-93.7	1.1	110.3	V98 E99 Y100 D114	R81-V98 HydrophobicContact CG-CB 4.32Å; R81-E99 WeakPolarHBondContact CA-O 3.26Å; R81-Y100 HydrophobicContact CB-CE2 4.33Å; R81-Y100 HydrophobicContact CG-CD2 4.29Å; R81-Y100 HydrophobicContact CG-CE2 3.73Å; R81-D114 IonicContact CZ-OD1 2.78Å; R81-D114 IonicContact CZ-OD2 3.64Å; R81-D114 IonicContact NE-OD1 2.65Å; R81-D114 IonicContact NE-OD2 2.83Å; R81-D114 PolarHBondContact NE-OD2 3.41Å; R81-D114 VanDerWaalsContact NH2-CG 3.35Å; R81-D114 IonicContact NH2-OD1 2.94Å; R81-D114 PolarHBondContact NH2-OD1 3Å; R81-D114 IonicContact NH2-OD2 3.52Å; R81-D114 PolarHBondContact NH2-OD2 3.3Å
82	K	89.5	Confident	75.2	Confident	136 Å²	136	87.7 Å²	87.7	59%	0.591	46%	0.455	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.7	123.3	176.5	-175	-176.7	175.9	-169.8	0	110.4	V98 E99	K82-V98 CarbonylContact O-C 3.56Å; K82-V98 WeakPolarHBondContact O-CA 3.34Å; K82-E99 PolarHBondContact N-O 2.9Å; K82-E99 PolarHBondContact O-N 3Å
83	K	86.5	Confident	73.9	Confident	133 Å²	133	87.4 Å²	87.4	58%	0.578	46%	0.463	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.6	136.8	172	-64.9	-173.1	178.5	-173.3	0	110.2	V98	K83-V98 HydrophobicContact CG-CG1 4.05Å
84	L	82.6	Confident	72.6	Confident	29 Å²	29	94.2 Å²	94.2	15%	0.152	50%	0.5	C	S	.	.	P	Polyproline II helix	trans	-87	138.5	172.7	-58.8	-178.4	0	0	0	109.5	W97 E99 F111	L84-W97 HydrophobicContact CB-CB 4.38Å; L84-W97 HydrophobicContact CD1-CB 3.99Å; L84-W97 HydrophobicContact CG-CB 4.47Å; L84-W97 PolarHBondContact N-O 2.79Å; L84-E99 HydrophobicContact CD2-CB 4.41Å; L84-F111 HydrophobicContact CD1-CD1 3.67Å; L84-F111 HydrophobicContact CD1-CE1 3.79Å; L84-F111 HydrophobicContact CD2-CE1 4.41Å
85	S	66.9	Low	71.6	Confident	67 Å²	67	93.9 Å²	93.9	47%	0.469	49%	0.492	S	S	.	.	P	Polyproline II helix	trans	-79.9	144.7	179.6	50.7	0	0	0	0	111.4	Q87 E88	S85-Q87 PolarHBondContact O-N 2.87Å; S85-E88 PolarHBondContact O-N 2.8Å
86	A	58.7	Low	71	Confident	84 Å²	84	96.2 Å²	96.2	69%	0.694	50%	0.5	S	S	*	.	G	3₁₀ helix	trans	-57.7	-17.1	-178.3	0	0	0	0	0	115.4	E88 H89	A86-E88 VanDerWaalsContact C-N 3.26Å; A86-E88 PolarHBondContact O-N 2.77Å; A86-H89 PolarHBondContact O-N 2.93Å
87	Q	50.3	Low	70.7	Confident	189 Å²	189	97.3 Å²	97.3	88%	0.883	50%	0.504	S	S	*	.	G	3₁₀ helix	trans	-71.7	-12.1	178.6	-87.7	176.2	-29.7	0	0	114.7	S85 H89	S85-Q87 PolarHBondContact O-N 2.87Å; Q87-H89 VanDerWaalsContact C-N 3.3Å
88	E	53.6	Low	70.5	Confident	124 Å²	124	91.7 Å²	91.7	58%	0.579	47%	0.474	S	S	*	.	G	3₁₀ helix	trans	-90.3	14.7	174.9	-64.7	-177.3	168	0	0	112.9	S85 A86	S85-E88 PolarHBondContact O-N 2.8Å; A86-E88 VanDerWaalsContact C-N 3.26Å; A86-E88 PolarHBondContact O-N 2.77Å
89	H	55.3	Low	70.4	Confident	66 Å²	66	92.2 Å²	92.2	31%	0.306	48%	0.476	S	S	.	.			trans	-118	133.1	-170.5	-64.1	-34.9	0	0	0	114.4	A86 Q87 W97	A86-H89 PolarHBondContact O-N 2.93Å; Q87-H89 VanDerWaalsContact C-N 3.3Å; H89-W97 AromaticContact CE1-CD1 3.82Å; H89-W97 AromaticContact NE2-CD1 3.88Å
90	C	44.3	Very low	70.4	Confident	126 Å²	126	92.6 Å²	92.6	85%	0.851	48%	0.477	S	S	*	.			trans	-101.1	-5.1	169	-175.4	0	0	0	0	112.4
91	D	47.4	Very low	70.5	Confident	131 Å²	131	89.2 Å²	89.2	70%	0.701	47%	0.465	S	S	*	.	S	Bend	trans	-107.7	134.8	-174.4	-73.9	-32.4	0	0	0	112.6	S93	D91-S93 PolarHBondContact O-N 3.22Å
92	T	43.9	Very low	70.9	Confident	155 Å²	155	84.1 Å²	84.1	95%	0.951	45%	0.446	S	S	*	.			trans	-76.8	44.1	-168.9	52.3	0	0	0	0	114.6
93	S	52.3	Low	71.3	Confident	61 Å²	61	80 Å²	80	43%	0.427	43%	0.432	S	S	.	.	S	Bend	trans	-132.4	142.6	174	55.5	0	0	0	0	112.4	D91 D95	D91-S93 PolarHBondContact O-N 3.22Å; S93-D95 WeakPolarHBondContact CB-OD2 3.45Å; S93-D95 PolarHBondContact O-N 3.42Å; S93-D95 PolarHBondContact OG-OD2 3.48Å
94	D	53.8	Low	71.8	Confident	157 Å²	157	78.8 Å²	78.8	84%	0.84	42%	0.424	S	S	*	.			trans	-67.7	35.6	174.7	-161	17.2	0	0	0	112.3	Q96	D94-Q96 PolarHBondContact O-N 3.24Å
95	D	63.3	Low	72.5	Confident	41 Å²	41	79.8 Å²	79.8	22%	0.219	43%	0.426	C	S	.	.			trans	-80.6	105.6	-171.5	-75.3	-28.3	0	0	0	110.1	S93 W97 R113	S93-D95 WeakPolarHBondContact CB-OD2 3.45Å; S93-D95 PolarHBondContact O-N 3.42Å; S93-D95 PolarHBondContact OG-OD2 3.48Å; D95-W97 VanDerWaalsContact O-CD1 3.26Å; D95-W97 PolarHBondContact O-N 2.6Å; D95-R113 VanDerWaalsContact CG-NH2 3.26Å; D95-R113 IonicContact OD1-CZ 3.84Å; D95-R113 VanDerWaalsContact OD1-CZ 3.31Å; D95-R113 IonicContact OD1-NH1 2.76Å; D95-R113 PolarHBondContact OD1-NH1 3.02Å; D95-R113 IonicContact OD1-NH2 2.79Å; D95-R113 PolarHBondContact OD1-NH2 3.29Å; D95-R113 IonicContact OD2-CZ 2.69Å; D95-R113 IonicContact OD2-NH1 3.25Å; D95-R113 PolarHBondContact OD2-NH1 2.88Å; D95-R113 IonicContact OD2-NH2 3.8Å
96	Q	77.3	Confident	73.9	Confident	97 Å²	97	80.2 Å²	80.2	45%	0.453	43%	0.428	S	S	.	.			trans	-72.1	95.9	178.8	-64.8	-167.8	-3.1	0	0	111.2	D94	D94-Q96 PolarHBondContact O-N 3.24Å
97	W	87.9	Confident	75.8	Confident	27 Å²	27	81.9 Å²	81.9	10%	0.102	42%	0.421	C	S	.	.			trans	-82.4	142.3	172.1	-71.2	94.8	0	0	0	112.2	L84 H89 D95 F111 R113 R197 V198 R201	L84-W97 HydrophobicContact CB-CB 4.38Å; L84-W97 HydrophobicContact CD1-CB 3.99Å; L84-W97 HydrophobicContact CG-CB 4.47Å; L84-W97 PolarHBondContact N-O 2.79Å; H89-W97 AromaticContact CE1-CD1 3.82Å; H89-W97 AromaticContact NE2-CD1 3.88Å; D95-W97 VanDerWaalsContact O-CD1 3.26Å; D95-W97 PolarHBondContact O-N 2.6Å; W97-F111 HydrophobicContact CE3-CB 4.12Å; W97-F111 HydrophobicContact CZ3-CB 4.35Å; W97-R113 HydrophobicContact CD2-CG 3.75Å; W97-R113 HydrophobicContact CE3-CG 3.65Å; W97-R113 HydrophobicContact CG-CG 4.5Å; W97-R113 HydrophobicContact CH2-CG 3.81Å; W97-R113 VanDerWaalsContact CZ2-CD 3.46Å; W97-R113 HydrophobicContact CZ2-CG 3.91Å; W97-R113 HydrophobicContact CZ3-CG 3.68Å; W97-R197 HydrophobicContact CH2-CB 4.46Å; W97-V198 HydrophobicContact CH2-CG2 4.45Å; W97-V198 HydrophobicContact CZ3-CG2 4.16Å; W97-R201 HydrophobicContact CD2-CG 4.45Å; W97-R201 HydrophobicContact CE3-CG 4.09Å; W97-R201 HydrophobicContact CH2-CB 3.47Å; W97-R201 VanDerWaalsContact CH2-CB 3.47Å; W97-R201 HydrophobicContact CH2-CG 3.82Å; W97-R201 HydrophobicContact CZ2-CB 4.07Å; W97-R201 HydrophobicContact CZ2-CG 4.17Å; W97-R201 HydrophobicContact CZ3-CB 3.75Å; W97-R201 HydrophobicContact CZ3-CG 3.76Å
98	V	90.6	Very high	78	Confident	1 Å²	1	75 Å²	75	1%	0.006	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	141.8	174.9	-63	0	0	0	0	110.6	R81 K82 K83 Y100 F111 L112 D114	R81-V98 HydrophobicContact CG-CB 4.32Å; K82-V98 CarbonylContact O-C 3.56Å; K82-V98 WeakPolarHBondContact O-CA 3.34Å; K83-V98 HydrophobicContact CG-CG1 4.05Å; V98-Y100 HydrophobicContact CG2-CD2 3.91Å; V98-Y100 HydrophobicContact CG2-CE2 3.68Å; V98-F111 CarbonylContact O-C 3.5Å; V98-F111 WeakPolarHBondContact O-CA 3.42Å; V98-L112 HydrophobicContact CG2-CB 4.13Å; V98-L112 PolarHBondContact N-O 3.02Å; V98-L112 PolarHBondContact O-N 3.37Å; V98-D114 HydrophobicContact CG2-CB 4.46Å
99	E	93.9	Very high	80.1	Confident	11 Å²	11	69.2 Å²	69.2	5%	0.051	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	124.7	168.7	-171.5	-179.8	-158.2	0	0	109.4	R81 K82 L84 R101 A110 F111	R81-E99 WeakPolarHBondContact CA-O 3.26Å; K82-E99 PolarHBondContact N-O 2.9Å; K82-E99 PolarHBondContact O-N 3Å; L84-E99 HydrophobicContact CD2-CB 4.41Å; E99-R101 IonicContact OE1-CZ 3.55Å; E99-R101 IonicContact OE1-NE 3.41Å; E99-R101 PolarHBondContact OE1-NE 2.98Å; E99-R101 IonicContact OE1-NH2 3.49Å; E99-R101 PolarHBondContact OE1-NH2 3.31Å; E99-R101 IonicContact OE2-CZ 2.7Å; E99-R101 IonicContact OE2-NE 3.5Å; E99-R101 IonicContact OE2-NH2 3.5Å; E99-R101 PolarHBondContact OE2-NH2 2.9Å; E99-A110 WeakPolarHBondContact CA-O 3.32Å; E99-F111 HydrophobicContact CB-CD1 3.96Å; E99-F111 HydrophobicContact CB-CE1 4.03Å; E99-F111 HydrophobicContact CG-CD1 4.09Å; E99-F111 HydrophobicContact CG-CE1 3.97Å
100	Y	95.5	Very high	82.1	Confident	21 Å²	21	66.1 Å²	66.1	8%	0.082	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	113.1	166.6	-87.7	-114.5	0	0	0	108	F79 R80 R81 V98 G109 A110 L112 D114 V136 L168	F79-Y100 HydrophobicContact CB-CD1 3.89Å; F79-Y100 HydrophobicContact CG-CD1 4.39Å; R80-Y100 WeakPolarHBondContact O-CA 3.37Å; R81-Y100 HydrophobicContact CB-CE2 4.33Å; R81-Y100 HydrophobicContact CG-CD2 4.29Å; R81-Y100 HydrophobicContact CG-CE2 3.73Å; V98-Y100 HydrophobicContact CG2-CD2 3.91Å; V98-Y100 HydrophobicContact CG2-CE2 3.68Å; Y100-G109 CarbonylContact O-C 3.55Å; Y100-G109 WeakPolarHBondContact O-CA 3.41Å; Y100-A110 PolarHBondContact N-O 2.7Å; Y100-A110 PolarHBondContact O-N 3.17Å; Y100-L112 HydrophobicContact CD1-CD1 4.28Å; Y100-L112 HydrophobicContact CD2-CB 4.45Å; Y100-L112 HydrophobicContact CD2-CD1 3.46Å; Y100-L112 VanDerWaalsContact CD2-CD1 3.46Å; Y100-L112 HydrophobicContact CD2-CG 4.12Å; Y100-L112 HydrophobicContact CE2-CD1 3.88Å; Y100-L112 HydrophobicContact CG-CD1 3.67Å; Y100-D114 WeakPolarHBondContact CE2-OD2 3.35Å; Y100-D114 PolarHBondContact OH-OD2 3.07Å; Y100-D114 VanDerWaalsContact OH-OD2 3.07Å; Y100-V136 HydrophobicContact CD1-CG2 4.4Å; Y100-V136 HydrophobicContact CE1-CB 4.09Å; Y100-V136 HydrophobicContact CE1-CG2 3.71Å; Y100-V136 HydrophobicContact CE2-CG2 4.49Å; Y100-L168 HydrophobicContact CD1-CD2 4.12Å
101	R	97.4	Very high	84.5	Confident	108 Å²	108	61.3 Å²	61.3	41%	0.408	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	131.6	-179.1	-172.8	174.7	-66.1	177.3	-2.3	110.2	F79 R80 E99 V103 P106	F79-R101 CarbonylContact C-O 3.44Å; F79-R101 WeakPolarHBondContact CA-O 3.42Å; R80-R101 PolarHBondContact N-O 2.79Å; R80-R101 PolarHBondContact O-N 3.03Å; E99-R101 IonicContact OE1-CZ 3.55Å; E99-R101 IonicContact OE1-NE 3.41Å; E99-R101 PolarHBondContact OE1-NE 2.98Å; E99-R101 IonicContact OE1-NH2 3.49Å; E99-R101 PolarHBondContact OE1-NH2 3.31Å; E99-R101 IonicContact OE2-CZ 2.7Å; E99-R101 IonicContact OE2-NE 3.5Å; E99-R101 IonicContact OE2-NH2 3.5Å; E99-R101 PolarHBondContact OE2-NH2 2.9Å; R101-V103 PolarHBondContact O-N 3.12Å; R101-P106 WeakPolarHBondContact CD-O 3.28Å; R101-P106 WeakPolarHBondContact CG-O 3.5Å
102	S	98.1	Very high	86.7	Confident	3 Å²	3	55.1 Å²	55.1	2%	0.021	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	138.3	-179.4	-175.4	0	0	0	0	110.9	Y104 Y105 P106 Y108	S102-Y104 PolarHBondContact OG-N 2.82Å; S102-Y105 WeakPolarHBondContact CB-O 3.47Å; S102-Y105 PolarHBondContact OG-N 2.88Å; S102-P106 WeakPolarHBondContact O-CA 3.22Å; S102-Y108 PolarHBondContact N-O 2.7Å
103	V	97.6	Very high	88.8	Confident	49 Å²	49	48.1 Å²	48.1	30%	0.297	23%	0.234	S	C	.	.	S	Bend	trans	-70.1	-36.6	172.6	171.4	0	0	0	0	111	D77 L78 R80 R101	D77-V103 WeakPolarHBondContact O-CG2 3.41Å; L78-V103 PolarHBondContact O-N 2.89Å; R80-V103 HydrophobicContact CG-CG2 3.72Å; R101-V103 PolarHBondContact O-N 3.12Å
104	Y	96.9	Very high	89.7	Confident	107 Å²	107	45.4 Å²	45.4	42%	0.42	22%	0.215	S	C	.	.	S	Bend	trans	-94.9	-22.2	-172.7	-64.7	-85.1	0	0	0	113.7	L78 S102 H145 Q299	L78-Y104 HydrophobicContact CD2-CD2 4.46Å; L78-Y104 HydrophobicContact CD2-CE2 3.87Å; S102-Y104 PolarHBondContact OG-N 2.82Å; Y104-H145 AromaticContact CD2-CE1 3.46Å; Y104-H145 VanDerWaalsContact CD2-CE1 3.46Å; Y104-H145 WeakPolarHBondContact CD2-CE1 3.05Å; Y104-H145 AromaticContact CD2-ND1 3.95Å; Y104-H145 AromaticContact CG-CE1 3.91Å; Y104-Q299 HydrophobicContact CD1-CG 4.1Å; Y104-Q299 HydrophobicContact CD2-CG 4.5Å; Y104-Q299 HydrophobicContact CE1-CG 3.5Å; Y104-Q299 VanDerWaalsContact CE1-CG 3.5Å; Y104-Q299 HydrophobicContact CE2-CB 4.23Å; Y104-Q299 HydrophobicContact CE2-CG 3.96Å; Y104-Q299 VanDerWaalsContact CZ-CG 3.41Å
105	Y	97.5	Very high	90.4	Very high	50 Å²	50	41 Å²	41	20%	0.196	19%	0.192	C	C	.	.			trans	-130.3	71.4	175.5	-54.6	-81.1	0	0	0	110.4	S102 E107 Y108 L148 Q149	S102-Y105 WeakPolarHBondContact CB-O 3.47Å; S102-Y105 PolarHBondContact OG-N 2.88Å; Y105-E107 WeakPolarHBondContact CA-OE2 3.42Å; Y105-E107 PolarHBondContact O-N 2.98Å; Y105-Y108 VanDerWaalsContact CB-CD2 3.5Å; Y105-Y108 HydrophobicContact CG-CD2 4.31Å; Y105-Y108 HydrophobicContact CG-CE2 4.48Å; Y105-Y108 PolarHBondContact O-N 2.89Å; Y105-L148 HydrophobicContact CD2-CB 3.84Å; Y105-L148 HydrophobicContact CD2-CD1 4.37Å; Y105-L148 HydrophobicContact CE2-CB 4.2Å; Y105-Q149 HydrophobicContact CE2-CB 4.37Å
106	P	96.8	Very high	90.2	Very high	76 Å²	76	43.7 Å²	43.7	49%	0.494	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-17.6	-168.7	-23.4	35.3	0	0	0	115.2	R101 S102 Y108	R101-P106 WeakPolarHBondContact CD-O 3.28Å; R101-P106 WeakPolarHBondContact CG-O 3.5Å; S102-P106 WeakPolarHBondContact O-CA 3.22Å; P106-Y108 PolarHBondContact O-N 2.82Å
107	E	96.9	Very high	89.3	Confident	120 Å²	120	40.9 Å²	40.9	56%	0.561	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-24.2	171.4	67	-85.7	-159.3	0	0	112.9	Y105	Y105-E107 WeakPolarHBondContact CA-OE2 3.42Å; Y105-E107 PolarHBondContact O-N 2.98Å
108	Y	98.1	Very high	87.8	Confident	45 Å²	45	44 Å²	44	18%	0.176	23%	0.225	C	C	.	.			trans	-100.8	121.5	178.7	-52.4	-55.6	0	0	0	111.3	S102 Y105 P106 L148 I175	S102-Y108 PolarHBondContact N-O 2.7Å; Y105-Y108 VanDerWaalsContact CB-CD2 3.5Å; Y105-Y108 HydrophobicContact CG-CD2 4.31Å; Y105-Y108 HydrophobicContact CG-CE2 4.48Å; Y105-Y108 PolarHBondContact O-N 2.89Å; P106-Y108 PolarHBondContact O-N 2.82Å; Y108-L148 HydrophobicContact CD2-CD2 3.76Å; Y108-L148 HydrophobicContact CG-CD2 3.92Å; Y108-I175 HydrophobicContact CD1-CG2 4.04Å
109	G	97.2	Very high	86.1	Confident	2 Å²	2	47.4 Å²	47.4	2%	0.021	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	150.5	169.4	0	0	0	0	0	111.6	Y100 K207	Y100-G109 CarbonylContact O-C 3.55Å; Y100-G109 WeakPolarHBondContact O-CA 3.41Å; G109-K207 WeakPolarHBondContact O-CD 3.21Å; G109-K207 WeakPolarHBondContact O-CE 3.38Å; G109-K207 PolarHBondContact O-NZ 2.99Å
110	A	96.9	Very high	84.4	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	148.1	-178.8	0	0	0	0	0	110.8	E99 Y100 L112 M172 I175 N202	E99-A110 WeakPolarHBondContact CA-O 3.32Å; Y100-A110 PolarHBondContact N-O 2.7Å; Y100-A110 PolarHBondContact O-N 3.17Å; A110-L112 HydrophobicContact CB-CD2 4.4Å; A110-M172 HydrophobicContact CB-CE 3.42Å; A110-M172 VanDerWaalsContact CB-CE 3.42Å; A110-I175 HydrophobicContact CB-CD1 3.64Å; A110-N202 WeakPolarHBondContact CA-OD1 3.2Å
111	F	95.7	Very high	82.4	Confident	26 Å²	26	55.8 Å²	55.8	11%	0.114	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	126.4	170	-57.8	-55.9	0	0	0	109.7	L84 W97 V98 E99 V198 R201 N202 A205 K207	L84-F111 HydrophobicContact CD1-CD1 3.67Å; L84-F111 HydrophobicContact CD1-CE1 3.79Å; L84-F111 HydrophobicContact CD2-CE1 4.41Å; W97-F111 HydrophobicContact CE3-CB 4.12Å; W97-F111 HydrophobicContact CZ3-CB 4.35Å; V98-F111 CarbonylContact O-C 3.5Å; V98-F111 WeakPolarHBondContact O-CA 3.42Å; E99-F111 HydrophobicContact CB-CD1 3.96Å; E99-F111 HydrophobicContact CB-CE1 4.03Å; E99-F111 HydrophobicContact CG-CD1 4.09Å; E99-F111 HydrophobicContact CG-CE1 3.97Å; F111-V198 WeakPolarHBondContact O-CG1 3.45Å; F111-R201 HydrophobicContact CB-CG 4.01Å; F111-R201 HydrophobicContact CD2-CG 4.19Å; F111-R201 HydrophobicContact CG-CG 4.41Å; F111-N202 PolarHBondContact N-OD1 2.97Å; F111-N202 PolarHBondContact O-ND2 3.05Å; F111-A205 HydrophobicContact CD2-CB 4.15Å; F111-A205 HydrophobicContact CE2-CB 3.64Å; F111-K207 HydrophobicContact CD2-CD 4.2Å; F111-K207 HydrophobicContact CE2-CD 4.14Å
112	L	92.4	Very high	80.2	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	162.5	179.9	-54.2	-179.9	0	0	0	110.9	V98 Y100 A110 V136 L168 L171 V198	V98-L112 HydrophobicContact CG2-CB 4.13Å; V98-L112 PolarHBondContact N-O 3.02Å; V98-L112 PolarHBondContact O-N 3.37Å; Y100-L112 HydrophobicContact CD1-CD1 4.28Å; Y100-L112 HydrophobicContact CD2-CB 4.45Å; Y100-L112 HydrophobicContact CD2-CD1 3.46Å; Y100-L112 VanDerWaalsContact CD2-CD1 3.46Å; Y100-L112 HydrophobicContact CD2-CG 4.12Å; Y100-L112 HydrophobicContact CE2-CD1 3.88Å; Y100-L112 HydrophobicContact CG-CD1 3.67Å; A110-L112 HydrophobicContact CB-CD2 4.4Å; L112-V136 HydrophobicContact CD1-CG2 4.1Å; L112-L168 HydrophobicContact CD1-CD1 3.88Å; L112-L168 HydrophobicContact CD2-CD1 4.34Å; L112-L171 HydrophobicContact CD2-CD1 3.45Å; L112-L171 VanDerWaalsContact CD2-CD1 3.45Å; L112-V198 HydrophobicContact CD2-CG1 3.95Å
113	R	87.8	Confident	78.2	Confident	9 Å²	9	59.5 Å²	59.5	3%	0.034	31%	0.31	C	S	.	.			trans	-119.2	95	162	-73.7	170.5	58.2	138.3	18	107.4	D95 W97 M116 N194 R197 V198	D95-R113 VanDerWaalsContact CG-NH2 3.26Å; D95-R113 IonicContact OD1-CZ 3.84Å; D95-R113 VanDerWaalsContact OD1-CZ 3.31Å; D95-R113 IonicContact OD1-NH1 2.76Å; D95-R113 PolarHBondContact OD1-NH1 3.02Å; D95-R113 IonicContact OD1-NH2 2.79Å; D95-R113 PolarHBondContact OD1-NH2 3.29Å; D95-R113 IonicContact OD2-CZ 2.69Å; D95-R113 IonicContact OD2-NH1 3.25Å; D95-R113 PolarHBondContact OD2-NH1 2.88Å; D95-R113 IonicContact OD2-NH2 3.8Å; W97-R113 HydrophobicContact CD2-CG 3.75Å; W97-R113 HydrophobicContact CE3-CG 3.65Å; W97-R113 HydrophobicContact CG-CG 4.5Å; W97-R113 HydrophobicContact CH2-CG 3.81Å; W97-R113 VanDerWaalsContact CZ2-CD 3.46Å; W97-R113 HydrophobicContact CZ2-CG 3.91Å; W97-R113 HydrophobicContact CZ3-CG 3.68Å; R113-M116 VanDerWaalsContact NH2-CE 3.29Å; R113-M116 PolarHBondContact NH2-SD 2.91Å; R113-N194 VanDerWaalsContact CB-OD1 3.29Å; R113-N194 WeakPolarHBondContact CB-OD1 3.49Å; R113-N194 WeakPolarHBondContact CD-OD1 3.43Å; R113-N194 PolarHBondContact NE-OD1 2.85Å; R113-N194 PolarHBondContact O-ND2 3.31Å; R113-R197 VanDerWaalsContact NH1-CD 3.34Å; R113-V198 HydrophobicContact CB-CG2 4.39Å
114	D	71.9	Confident	76	Confident	3 Å²	3	59.5 Å²	59.5	2%	0.016	31%	0.31	C	S	.	.			trans	-101.1	-4.2	-174.6	70	-13	0	0	0	113.1	R81 V98 Y100 V134 T166	R81-D114 IonicContact CZ-OD1 2.78Å; R81-D114 IonicContact CZ-OD2 3.64Å; R81-D114 IonicContact NE-OD1 2.65Å; R81-D114 IonicContact NE-OD2 2.83Å; R81-D114 PolarHBondContact NE-OD2 3.41Å; R81-D114 VanDerWaalsContact NH2-CG 3.35Å; R81-D114 IonicContact NH2-OD1 2.94Å; R81-D114 PolarHBondContact NH2-OD1 3Å; R81-D114 IonicContact NH2-OD2 3.52Å; R81-D114 PolarHBondContact NH2-OD2 3.3Å; V98-D114 HydrophobicContact CG2-CB 4.46Å; Y100-D114 WeakPolarHBondContact CE2-OD2 3.35Å; Y100-D114 PolarHBondContact OH-OD2 3.07Å; Y100-D114 VanDerWaalsContact OH-OD2 3.07Å; D114-V134 CarbonylContact O-C 3.6Å; D114-V134 VanDerWaalsContact O-C 3.26Å; D114-T166 HydrophobicContact CB-CG2 4.47Å
115	N	68.4	Low	73.7	Confident	66 Å²	66	60.5 Å²	60.5	35%	0.353	32%	0.322	S	S	.	.			trans	-142.1	110.2	179.1	-175.8	-0.3	0	0	0	110.4	G117	N115-G117 VanDerWaalsContact C-N 3.32Å; N115-G117 PolarHBondContact OD1-N 3.14Å
116	M	59.9	Low	71.1	Confident	96 Å²	96	64.3 Å²	64.3	47%	0.473	35%	0.346	S	S	.	.			trans	-91.9	12.4	-178.9	-66.4	-67.8	-72.3	0	0	113.4	R113 M165 N194	R113-M116 VanDerWaalsContact NH2-CE 3.29Å; R113-M116 PolarHBondContact NH2-SD 2.91Å; M116-M165 HydrophobicContact CG-CE 4.46Å; M116-M165 HydrophobicContact CG-SD 3.92Å; M116-N194 PolarHBondContact SD-OD1 2.94Å
117	G	58.4	Low	68.8	Low	39 Å²	39	62.2 Å²	62.2	40%	0.402	33%	0.333	S	S	.	.	S	Bend	trans	96.5	-166.6	-177.5	0	0	0	0	0	113.5	N115 L119	N115-G117 VanDerWaalsContact C-N 3.32Å; N115-G117 PolarHBondContact OD1-N 3.14Å; G117-L119 PolarHBondContact O-N 3.03Å
118	P	55	Low	66.3	Low	91 Å²	91	64 Å²	64	59%	0.591	34%	0.34	S	S	*	.	S	Bend	trans	-60.6	132.9	-174.7	-20.1	30.6	0	0	0	112.5	K120	P118-K120 PolarHBondContact O-N 3.35Å
119	L	56.1	Low	64	Low	74 Å²	74	64.6 Å²	64.6	39%	0.387	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-56.9	120.3	174.1	-68.2	170.3	0	0	0	110.2	V54 G117 V124 V134	V54-L119 HydrophobicContact CG1-CD1 4.08Å; G117-L119 PolarHBondContact O-N 3.03Å; L119-V124 HydrophobicContact CB-CG2 4.15Å; L119-V134 HydrophobicContact CD2-CG2 4.48Å
120	K	57.3	Low	61.8	Low	138 Å²	138	65.9 Å²	65.9	60%	0.6	35%	0.352	S	S	*	.	P	Polyproline II helix	trans	-84.3	130.4	173.9	-64.8	177.8	-178.4	172.7	0	109.3	P118 N122 E123 V124	P118-K120 PolarHBondContact O-N 3.35Å; K120-N122 PolarHBondContact O-N 3.36Å; K120-E123 HydrophobicContact CB-CB 4.31Å; K120-E123 HydrophobicContact CB-CG 3.89Å; K120-E123 WeakPolarHBondContact O-CA 3.37Å; K120-E123 WeakPolarHBondContact O-CB 2.95Å; K120-E123 PolarHBondContact O-N 3.43Å; K120-V124 PolarHBondContact O-N 3.24Å; K120-V124 VanDerWaalsContact O-N 3.07Å
121	V	54.9	Low	59.6	Low	69 Å²	69	67.9 Å²	67.9	42%	0.418	36%	0.364	S	S	.	.	H	α-helix	trans	-51.7	-43.4	-179.1	175.7	0	0	0	0	112	L55 E123 V124 L125	L55-V121 HydrophobicContact CD1-CG2 4.47Å; L55-V121 HydrophobicContact CD2-CG2 3.67Å; V121-E123 PolarHBondContact O-N 3.2Å; V121-V124 PolarHBondContact O-N 2.79Å; V121-L125 HydrophobicContact CG1-CD1 3.74Å; V121-L125 HydrophobicContact CG1-CG 4.33Å; V121-L125 WeakPolarHBondContact O-CG 3.3Å; V121-L125 PolarHBondContact O-N 2.82Å
122	N	51.2	Low	57.5	Low	118 Å²	118	67.4 Å²	67.4	63%	0.631	37%	0.367	S	S	*	.	H	α-helix	trans	-67.1	-22.7	179	-67.6	-3.6	0	0	0	113.3	K120 N126	K120-N122 PolarHBondContact O-N 3.36Å; N122-N126 VanDerWaalsContact O-CB 3.3Å; N122-N126 WeakPolarHBondContact O-CB 3.29Å; N122-N126 PolarHBondContact O-N 3.24Å; N122-N126 PolarHBondContact O-ND2 2.85Å
123	E	55.7	Low	55.6	Low	71 Å²	71	68.4 Å²	68.4	33%	0.332	37%	0.372	S	S	.	.	H	α-helix	trans	-82.3	-38.5	175.1	-61.9	-176.6	142.4	0	0	110.7	K120 V121 L125 N126 S127 K190	K120-E123 HydrophobicContact CB-CB 4.31Å; K120-E123 HydrophobicContact CB-CG 3.89Å; K120-E123 WeakPolarHBondContact O-CA 3.37Å; K120-E123 WeakPolarHBondContact O-CB 2.95Å; K120-E123 PolarHBondContact O-N 3.43Å; V121-E123 PolarHBondContact O-N 3.2Å; E123-L125 VanDerWaalsContact C-N 3.3Å; E123-L125 PolarHBondContact O-N 3.43Å; E123-N126 PolarHBondContact O-N 3.47Å; E123-S127 WeakPolarHBondContact O-CB 3.5Å; E123-S127 PolarHBondContact O-N 2.78Å; E123-K190 IonicContact OE1-NZ 3.75Å; E123-K190 PolarHBondContact OE1-NZ 2.95Å
124	V	51.6	Low	54.1	Low	49 Å²	49	71.1 Å²	71.1	30%	0.297	39%	0.39	S	S	.	.	H	α-helix	trans	-62.4	-39	175	179.1	0	0	0	0	111.6	L119 K120 V121 N130	L119-V124 HydrophobicContact CB-CG2 4.15Å; K120-V124 PolarHBondContact O-N 3.24Å; K120-V124 VanDerWaalsContact O-N 3.07Å; V121-V124 PolarHBondContact O-N 2.79Å; V124-N130 WeakPolarHBondContact CA-ND2 3.39Å; V124-N130 PolarHBondContact O-ND2 3.22Å
125	L	46.9	Very low	54.1	Low	128 Å²	128	72.4 Å²	72.4	67%	0.67	40%	0.399	S	S	*	.	H	α-helix	trans	-81.9	-23.7	-176.8	-65.5	174.1	0	0	0	114.5	V121 E123	V121-L125 HydrophobicContact CG1-CD1 3.74Å; V121-L125 HydrophobicContact CG1-CG 4.33Å; V121-L125 WeakPolarHBondContact O-CG 3.3Å; V121-L125 PolarHBondContact O-N 2.82Å; E123-L125 VanDerWaalsContact C-N 3.3Å; E123-L125 PolarHBondContact O-N 3.43Å
126	N	44.1	Very low	55	Low	131 Å²	131	69.8 Å²	69.8	70%	0.701	39%	0.385	S	S	*	.	H	α-helix	trans	-111.7	-3.2	-174.9	-64.7	-45.5	0	0	0	114.2	N122 E123	N122-N126 VanDerWaalsContact O-CB 3.3Å; N122-N126 WeakPolarHBondContact O-CB 3.29Å; N122-N126 PolarHBondContact O-N 3.24Å; N122-N126 PolarHBondContact O-ND2 2.85Å; E123-N126 PolarHBondContact O-N 3.47Å
127	S	47.5	Very low	56.4	Low	32 Å²	32	66.9 Å²	66.9	22%	0.224	37%	0.368	C	S	.	.			trans	-93.8	137.4	179.5	-175.7	0	0	0	0	111.1	E123 D129 N130 N188	E123-S127 WeakPolarHBondContact O-CB 3.5Å; E123-S127 PolarHBondContact O-N 2.78Å; S127-D129 VanDerWaalsContact C-N 3.27Å; S127-D129 PolarHBondContact O-N 3.17Å; S127-D129 PolarHBondContact OG-O 2.99Å; S127-N130 WeakPolarHBondContact CB-OD1 3.48Å; S127-N188 PolarHBondContact OG-ND2 3.44Å
128	F	44.6	Very low	58.1	Low	158 Å²	158	65.3 Å²	65.3	69%	0.693	35%	0.351	S	S	*	.	S	Bend	trans	-60.6	-32.1	-179.4	-75.2	-90.5	0	0	0	113.5
129	D	50.5	Low	60.1	Low	56 Å²	56	61.1 Å²	61.1	30%	0.299	32%	0.324	S	S	.	.			trans	-161.3	135	170.3	-176.8	13.2	0	0	0	108.8	S127 T131 F243	S127-D129 VanDerWaalsContact C-N 3.27Å; S127-D129 PolarHBondContact O-N 3.17Å; S127-D129 PolarHBondContact OG-O 2.99Å; D129-T131 WeakPolarHBondContact OD1-CB 3.11Å; D129-T131 PolarHBondContact OD1-N 3.43Å; D129-T131 PolarHBondContact OD1-OG1 2.68Å; D129-F243 WeakPolarHBondContact OD2-CZ 3.48Å
130	N	51.4	Low	62	Low	29 Å²	29	58.3 Å²	58.3	16%	0.155	31%	0.309	C	S	.	.			trans	-109.4	2.7	177.6	-65.1	-77.9	0	0	0	112.9	V124 S127 G132 N133	V124-N130 WeakPolarHBondContact CA-ND2 3.39Å; V124-N130 PolarHBondContact O-ND2 3.22Å; S127-N130 WeakPolarHBondContact CB-OD1 3.48Å; N130-G132 VanDerWaalsContact C-N 3.29Å; N130-G132 PolarHBondContact O-N 2.91Å; N130-N133 WeakPolarHBondContact CA-ND2 3.44Å; N130-N133 HydrophobicContact CB-CB 4.47Å; N130-N133 VanDerWaalsContact O-CB 3.28Å; N130-N133 WeakPolarHBondContact O-CB 3.32Å; N130-N133 PolarHBondContact O-N 3.17Å; N130-N133 PolarHBondContact OD1-ND2 2.95Å
131	T	50.3	Low	63.9	Low	42 Å²	42	52 Å²	52	26%	0.258	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-56.3	-46.4	-176.2	-58.7	0	0	0	0	109.7	D129 N133 W137	D129-T131 WeakPolarHBondContact OD1-CB 3.11Å; D129-T131 PolarHBondContact OD1-N 3.43Å; D129-T131 PolarHBondContact OD1-OG1 2.68Å; T131-N133 PolarHBondContact O-N 2.95Å; T131-W137 VanDerWaalsContact C-NE1 3.27Å; T131-W137 HydrophobicContact CG2-CD2 4Å; T131-W137 HydrophobicContact CG2-CH2 4.08Å; T131-W137 HydrophobicContact CG2-CZ2 3.32Å; T131-W137 PolarHBondContact O-NE1 3.5Å
132	G	50.8	Low	66	Low	16 Å²	16	48.8 Å²	48.8	17%	0.165	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-71.1	-3.9	175.2	0	0	0	0	0	116.6	N130 V134 M165	N130-G132 VanDerWaalsContact C-N 3.29Å; N130-G132 PolarHBondContact O-N 2.91Å; G132-V134 VanDerWaalsContact C-N 3.35Å; G132-M165 WeakPolarHBondContact O-CB 3.16Å; G132-M165 VanDerWaalsContact O-CG 3.29Å; G132-M165 WeakPolarHBondContact O-CG 3.35Å
133	N	52.5	Low	68.3	Low	21 Å²	21	43.1 Å²	43.1	11%	0.112	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-88.4	-1.5	-174.4	-59.3	-10.1	0	0	0	113.9	N130 T131 M165	N130-N133 WeakPolarHBondContact CA-ND2 3.44Å; N130-N133 HydrophobicContact CB-CB 4.47Å; N130-N133 VanDerWaalsContact O-CB 3.28Å; N130-N133 WeakPolarHBondContact O-CB 3.32Å; N130-N133 PolarHBondContact O-N 3.17Å; N130-N133 PolarHBondContact OD1-ND2 2.95Å; T131-N133 PolarHBondContact O-N 2.95Å; N133-M165 VanDerWaalsContact CA-SD 3.6Å; N133-M165 HydrophobicContact CB-CE 3.65Å; N133-M165 HydrophobicContact CB-SD 4.06Å; N133-M165 WeakPolarHBondContact OD1-CE 3.22Å
134	V	57.4	Low	70.3	Confident	67 Å²	67	39.8 Å²	39.8	41%	0.406	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.5	-44.1	-166.7	-177.2	0	0	0	0	113.1	D114 L119 G132	D114-V134 CarbonylContact O-C 3.6Å; D114-V134 VanDerWaalsContact O-C 3.26Å; L119-V134 HydrophobicContact CD2-CG2 4.48Å; G132-V134 VanDerWaalsContact C-N 3.35Å
135	C	72	Confident	72.6	Confident	30 Å²	30	37.5 Å²	37.5	20%	0.203	20%	0.202	C	C	.	.	S	Bend	trans	178.2	174.5	169.9	53.6	0	0	0	0	110.9	R71 W137	R71-C135 PolarHBondContact NH1-SG 2.78Å; R71-C135 PolarHBondContact NH2-O 3.47Å; R71-C135 PolarHBondContact NH2-SG 3.02Å; C135-W137 PolarHBondContact O-N 3.42Å; C135-W137 PolarHBondContact O-NE1 2.87Å
136	V	86.2	Confident	75	Confident	10 Å²	10	33 Å²	33	6%	0.061	18%	0.177	C	C	.	.			trans	-54.4	133	171.5	-178.3	0	0	0	0	110.6	R71 Y100 L112 E140 E141 T166 L168	R71-V136 PolarHBondContact NH1-O 3.25Å; Y100-V136 HydrophobicContact CD1-CG2 4.4Å; Y100-V136 HydrophobicContact CE1-CB 4.09Å; Y100-V136 HydrophobicContact CE1-CG2 3.71Å; Y100-V136 HydrophobicContact CE2-CG2 4.49Å; L112-V136 HydrophobicContact CD1-CG2 4.1Å; V136-E140 HydrophobicContact CG1-CB 4.18Å; V136-E140 HydrophobicContact CG1-CG 4.32Å; V136-E141 HydrophobicContact CG1-CB 4.06Å; V136-T166 HydrophobicContact CG2-CG2 4.13Å; V136-L168 HydrophobicContact CG1-CD2 3.72Å; V136-L168 HydrophobicContact CG2-CD2 4.08Å
137	W	90	Very high	77.6	Confident	35 Å²	35	26.8 Å²	26.8	13%	0.133	14%	0.143	C	C	.	.			trans	-93.6	156.4	178	-72	86.2	0	0	0	112	V70 R71 T131 C135 S139 E140 E141	V70-W137 HydrophobicContact CG2-CH2 4.42Å; V70-W137 HydrophobicContact CG2-CZ3 4.38Å; R71-W137 HydrophobicContact CG-CH2 4.25Å; R71-W137 HydrophobicContact CG-CZ3 4.32Å; R71-W137 VanDerWaalsContact NE-CZ3 3.34Å; R71-W137 VanDerWaalsContact NH2-CD2 3.32Å; T131-W137 VanDerWaalsContact C-NE1 3.27Å; T131-W137 HydrophobicContact CG2-CD2 4Å; T131-W137 HydrophobicContact CG2-CH2 4.08Å; T131-W137 HydrophobicContact CG2-CZ2 3.32Å; T131-W137 PolarHBondContact O-NE1 3.5Å; C135-W137 PolarHBondContact O-N 3.42Å; C135-W137 PolarHBondContact O-NE1 2.87Å; W137-S139 VanDerWaalsContact C-N 3.27Å; W137-S139 PolarHBondContact O-N 2.82Å; W137-E140 PolarHBondContact O-N 2.87Å; W137-E141 PolarHBondContact O-N 3.42Å
138	P	93.5	Very high	80	Confident	7 Å²	7	25.2 Å²	25.2	5%	0.045	13%	0.133	C	C	.	.	H	α-helix	trans	-53.1	-40.5	-179	-27.9	34.8	0	0	0	114.1	F73 F76 E141 V142	F73-P138 HydrophobicContact CD1-CB 4.5Å; F73-P138 HydrophobicContact CD1-CG 4.14Å; F73-P138 HydrophobicContact CE1-CB 4.09Å; F73-P138 HydrophobicContact CE1-CG 4.17Å; F76-P138 HydrophobicContact CD2-CB 3.97Å; F76-P138 HydrophobicContact CE2-CB 3.79Å; P138-E141 PolarHBondContact O-N 2.8Å; P138-V142 WeakPolarHBondContact O-CB 3.27Å; P138-V142 VanDerWaalsContact O-CG2 3.24Å; P138-V142 WeakPolarHBondContact O-CG2 3.34Å; P138-V142 PolarHBondContact O-N 3.37Å
139	S	97	Very high	82.6	Confident	2 Å²	2	20.1 Å²	20.1	1%	0.014	11%	0.111	C	C	.	.	H	α-helix	trans	-64.8	-39.4	177	-50.9	0	0	0	0	112.9	W137 M143 P270	W137-S139 VanDerWaalsContact C-N 3.27Å; W137-S139 PolarHBondContact O-N 2.82Å; S139-M143 VanDerWaalsContact O-CB 3.3Å; S139-M143 WeakPolarHBondContact O-CB 3.39Å; S139-M143 PolarHBondContact O-N 3.47Å; S139-P270 WeakPolarHBondContact OG-CD 3.45Å
140	E	97.1	Very high	84.8	Confident	15 Å²	15	21.6 Å²	21.6	7%	0.07	11%	0.114	C	C	.	.	H	α-helix	trans	-70.8	-41	178	-171.5	-175.2	-173.7	0	0	110.6	V136 W137 M143 A144 T166 C167 L168 A239	V136-E140 HydrophobicContact CG1-CB 4.18Å; V136-E140 HydrophobicContact CG1-CG 4.32Å; W137-E140 PolarHBondContact O-N 2.87Å; E140-M143 PolarHBondContact O-N 2.93Å; E140-A144 VanDerWaalsContact O-CB 3.31Å; E140-A144 WeakPolarHBondContact O-CB 3.47Å; E140-A144 PolarHBondContact O-N 3.47Å; E140-T166 PolarHBondContact OE1-OG1 3.05Å; E140-C167 PolarHBondContact OE1-N 2.95Å; E140-L168 HydrophobicContact CG-CB 4.08Å; E140-L168 PolarHBondContact OE1-N 3.09Å; E140-A239 HydrophobicContact CB-CB 4.04Å
141	E	97.3	Very high	87	Confident	7 Å²	7	22.3 Å²	22.3	3%	0.033	12%	0.115	C	C	.	.	H	α-helix	trans	-58.8	-48.9	173.5	-171.7	-169.9	-175.3	0	0	111.6	T75 F76 D77 L78 F79 V136 W137 P138 A144 H145	T75-E141 WeakPolarHBondContact CA-OE2 3.26Å; T75-E141 WeakPolarHBondContact CB-OE2 3.44Å; T75-E141 PolarHBondContact OG1-OE1 3.23Å; T75-E141 PolarHBondContact OG1-OE2 3.41Å; F76-E141 PolarHBondContact N-OE2 3Å; D77-E141 PolarHBondContact N-OE1 3.34Å; L78-E141 HydrophobicContact CB-CG 4.18Å; L78-E141 HydrophobicContact CD1-CG 4.4Å; L78-E141 PolarHBondContact N-OE1 3.24Å; F79-E141 HydrophobicContact CD2-CG 3.74Å; F79-E141 HydrophobicContact CE2-CG 4.28Å; F79-E141 PolarHBondContact N-OE1 3.48Å; V136-E141 HydrophobicContact CG1-CB 4.06Å; W137-E141 PolarHBondContact O-N 3.42Å; P138-E141 PolarHBondContact O-N 2.8Å; E141-A144 PolarHBondContact O-N 2.88Å; E141-H145 PolarHBondContact O-N 3.18Å
142	V	98.6	Very high	89.2	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-65	-43.9	179	168.2	0	0	0	0	111.2	F76 L78 P138 A144 H145 Y146 F268 Y296 V300 P322	F76-V142 HydrophobicContact CB-CG2 4.35Å; F76-V142 HydrophobicContact CD1-CG2 4.35Å; F76-V142 HydrophobicContact CD2-CG2 3.42Å; F76-V142 VanDerWaalsContact CD2-CG2 3.42Å; F76-V142 HydrophobicContact CE2-CG2 3.69Å; F76-V142 HydrophobicContact CG-CG2 3.8Å; F76-V142 HydrophobicContact CZ-CG2 4.31Å; L78-V142 HydrophobicContact CD1-CB 4.49Å; L78-V142 HydrophobicContact CD1-CG2 3.91Å; P138-V142 WeakPolarHBondContact O-CB 3.27Å; P138-V142 VanDerWaalsContact O-CG2 3.24Å; P138-V142 WeakPolarHBondContact O-CG2 3.34Å; P138-V142 PolarHBondContact O-N 3.37Å; V142-A144 VanDerWaalsContact C-N 3.33Å; V142-A144 PolarHBondContact O-N 3.33Å; V142-H145 PolarHBondContact O-N 2.73Å; V142-Y146 WeakPolarHBondContact O-CB 3.48Å; V142-Y146 PolarHBondContact O-N 3.26Å; V142-F268 HydrophobicContact CG1-CD1 3.96Å; V142-F268 HydrophobicContact CG1-CE1 4.06Å; V142-Y296 HydrophobicContact CG1-CE2 3.79Å; V142-Y296 WeakPolarHBondContact CG1-OH 3.5Å; V142-V300 HydrophobicContact CG1-CG1 4.12Å; V142-V300 HydrophobicContact CG1-CG2 3.93Å; V142-V300 HydrophobicContact CG2-CG1 4.12Å; V142-V300 HydrophobicContact CG2-CG2 4.1Å; V142-P322 HydrophobicContact CB-CG 3.8Å; V142-P322 HydrophobicContact CG1-CG 3.84Å; V142-P322 HydrophobicContact CG2-CG 3.81Å
143	M	98.7	Very high	91.4	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-58.7	-45.9	175.2	-178	171.7	74.2	0	0	111	S139 E140 H145 Y146 C147 E160 M237 C238 A239 F268	S139-M143 VanDerWaalsContact O-CB 3.3Å; S139-M143 WeakPolarHBondContact O-CB 3.39Å; S139-M143 PolarHBondContact O-N 3.47Å; E140-M143 PolarHBondContact O-N 2.93Å; M143-H145 PolarHBondContact O-N 3.18Å; M143-Y146 PolarHBondContact O-N 2.92Å; M143-C147 WeakPolarHBondContact O-CB 3.47Å; M143-C147 PolarHBondContact O-N 3.42Å; M143-C147 PolarHBondContact O-SG 3.31Å; M143-E160 HydrophobicContact CE-CG 4.23Å; M143-E160 WeakPolarHBondContact CE-OE1 3.38Å; M143-M237 HydrophobicContact CE-CG 4.41Å; M143-M237 HydrophobicContact SD-CB 3.92Å; M143-M237 HydrophobicContact SD-CG 4.13Å; M143-M237 HydrophobicContact SD-SD 4.48Å; M143-C238 VanDerWaalsContact SD-C 3.6Å; M143-A239 HydrophobicContact CB-CB 4.35Å; M143-A239 HydrophobicContact CE-CB 3.68Å; M143-A239 HydrophobicContact SD-CB 3.98Å; M143-F268 HydrophobicContact CB-CB 4.13Å; M143-F268 HydrophobicContact CB-CD2 3.58Å; M143-F268 HydrophobicContact CB-CE2 4.08Å; M143-F268 HydrophobicContact CB-CG 3.84Å; M143-F268 HydrophobicContact CG-CD2 3.48Å; M143-F268 VanDerWaalsContact CG-CD2 3.48Å; M143-F268 HydrophobicContact CG-CE2 3.79Å; M143-F268 HydrophobicContact CG-CG 4.25Å; M143-F268 HydrophobicContact SD-CD2 3.91Å
144	A	98.6	Very high	93.5	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-61.7	-41.2	177.8	0	0	0	0	0	112.7	F79 E140 E141 V142 C147 L148 L168 M172	F79-A144 HydrophobicContact CE2-CB 3.95Å; F79-A144 HydrophobicContact CZ-CB 3.84Å; E140-A144 VanDerWaalsContact O-CB 3.31Å; E140-A144 WeakPolarHBondContact O-CB 3.47Å; E140-A144 PolarHBondContact O-N 3.47Å; E141-A144 PolarHBondContact O-N 2.88Å; V142-A144 VanDerWaalsContact C-N 3.33Å; V142-A144 PolarHBondContact O-N 3.33Å; A144-C147 WeakPolarHBondContact O-CB 3.43Å; A144-C147 PolarHBondContact O-N 3.45Å; A144-L148 WeakPolarHBondContact O-CG 3.38Å; A144-L148 PolarHBondContact O-N 2.8Å; A144-L168 HydrophobicContact CB-CB 4.37Å; A144-L168 HydrophobicContact CB-CD2 3.96Å; A144-L168 HydrophobicContact CB-CG 3.68Å; A144-M172 HydrophobicContact CB-CB 4.42Å; A144-M172 HydrophobicContact CB-CG 3.95Å
145	H	98.6	Very high	95.3	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.005	15%	0.146	C	C	.	.	H	α-helix	trans	-62.6	-46.7	173.6	177.8	80	0	0	0	111.9	L78 F79 Y104 E141 V142 M143 C147 L148 Q149 D297	L78-H145 HydrophobicContact CB-CB 4.13Å; L78-H145 HydrophobicContact CD1-CB 3.63Å; L78-H145 HydrophobicContact CG-CB 4.34Å; F79-H145 HydrophobicContact CE2-CB 4.12Å; Y104-H145 AromaticContact CD2-CE1 3.46Å; Y104-H145 VanDerWaalsContact CD2-CE1 3.46Å; Y104-H145 WeakPolarHBondContact CD2-CE1 3.05Å; Y104-H145 AromaticContact CD2-ND1 3.95Å; Y104-H145 AromaticContact CG-CE1 3.91Å; E141-H145 PolarHBondContact O-N 3.18Å; V142-H145 PolarHBondContact O-N 2.73Å; M143-H145 PolarHBondContact O-N 3.18Å; H145-C147 VanDerWaalsContact C-N 3.28Å; H145-C147 PolarHBondContact O-N 3.18Å; H145-L148 WeakPolarHBondContact O-CB 3.43Å; H145-L148 PolarHBondContact O-N 3.02Å; H145-L148 VanDerWaalsContact O-N 3.12Å; H145-Q149 PolarHBondContact O-N 2.81Å; H145-D297 IonicContact NE2-OD1 3.69Å; H145-D297 IonicContact NE2-OD2 3.37Å
146	Y	98.7	Very high	96.5	Very high	34 Å²	34	29.9 Å²	29.9	13%	0.133	15%	0.148	C	C	.	.	H	α-helix	trans	-59.4	-41.3	177.5	-176	-92.8	0	0	0	111.4	V142 M143 L148 Q149 K150 L266 F268 Y296 L324	V142-Y146 WeakPolarHBondContact O-CB 3.48Å; V142-Y146 PolarHBondContact O-N 3.26Å; M143-Y146 PolarHBondContact O-N 2.92Å; Y146-L148 VanDerWaalsContact C-N 3.34Å; Y146-L148 PolarHBondContact O-N 2.67Å; Y146-Q149 PolarHBondContact O-N 3.02Å; Y146-K150 HydrophobicContact CD1-CG 4.12Å; Y146-K150 HydrophobicContact CD2-CG 4.38Å; Y146-K150 HydrophobicContact CE1-CB 4.33Å; Y146-K150 HydrophobicContact CE1-CG 3.7Å; Y146-K150 HydrophobicContact CE2-CG 3.99Å; Y146-K150 HydrophobicContact CG-CG 4.45Å; Y146-K150 WeakPolarHBondContact O-CB 3.35Å; Y146-K150 PolarHBondContact O-N 3.48Å; Y146-L266 HydrophobicContact CE1-CD1 4.21Å; Y146-F268 HydrophobicContact CD1-CE2 4.1Å; Y146-F268 AromaticContact CD1-CZ 3.6Å; Y146-F268 HydrophobicContact CD1-CZ 3.6Å; Y146-F268 HydrophobicContact CD2-CZ 4.07Å; Y146-F268 HydrophobicContact CE1-CZ 4.2Å; Y146-F268 HydrophobicContact CG-CE1 4.28Å; Y146-F268 HydrophobicContact CG-CE2 4.39Å; Y146-F268 AromaticContact CG-CZ 3.52Å; Y146-F268 HydrophobicContact CG-CZ 3.52Å; Y146-Y296 HydrophobicContact CD2-CD2 4.11Å; Y146-Y296 HydrophobicContact CE2-CD2 4.39Å; Y146-L324 HydrophobicContact CE1-CD2 4.42Å; Y146-L324 HydrophobicContact CE2-CD2 4.03Å
147	C	98.5	Very high	97.1	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-57.8	-43.5	174.3	-73	0	0	0	0	112.3	M143 A144 H145 K150 R151 F154 V173	M143-C147 WeakPolarHBondContact O-CB 3.47Å; M143-C147 PolarHBondContact O-N 3.42Å; M143-C147 PolarHBondContact O-SG 3.31Å; A144-C147 WeakPolarHBondContact O-CB 3.43Å; A144-C147 PolarHBondContact O-N 3.45Å; H145-C147 VanDerWaalsContact C-N 3.28Å; H145-C147 PolarHBondContact O-N 3.18Å; C147-K150 CarbonylContact O-C 3.51Å; C147-K150 PolarHBondContact O-N 3.41Å; C147-R151 VanDerWaalsContact O-CA 3.26Å; C147-R151 WeakPolarHBondContact O-CA 3.49Å; C147-R151 PolarHBondContact O-N 3.03Å; C147-F154 HydrophobicContact CB-CE2 4.18Å; C147-F154 HydrophobicContact CB-CZ 4.14Å; C147-F154 VanDerWaalsContact SG-CZ 3.59Å; C147-V173 HydrophobicContact CB-CG2 3.64Å
148	L	98.3	Very high	97.5	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-65	-42.3	176.2	-66.5	177.5	0	0	0	112.4	F79 Y105 Y108 A144 H145 Y146 K150 R151 M172 S176	F79-L148 HydrophobicContact CE1-CD1 3.94Å; F79-L148 HydrophobicContact CZ-CD1 3.83Å; Y105-L148 HydrophobicContact CD2-CB 3.84Å; Y105-L148 HydrophobicContact CD2-CD1 4.37Å; Y105-L148 HydrophobicContact CE2-CB 4.2Å; Y108-L148 HydrophobicContact CD2-CD2 3.76Å; Y108-L148 HydrophobicContact CG-CD2 3.92Å; A144-L148 WeakPolarHBondContact O-CG 3.38Å; A144-L148 PolarHBondContact O-N 2.8Å; H145-L148 WeakPolarHBondContact O-CB 3.43Å; H145-L148 PolarHBondContact O-N 3.02Å; H145-L148 VanDerWaalsContact O-N 3.12Å; Y146-L148 VanDerWaalsContact C-N 3.34Å; Y146-L148 PolarHBondContact O-N 2.67Å; L148-K150 VanDerWaalsContact C-N 3.32Å; L148-K150 PolarHBondContact O-N 2.87Å; L148-R151 WeakPolarHBondContact O-CB 3.32Å; L148-R151 WeakPolarHBondContact O-CD 3.34Å; L148-R151 WeakPolarHBondContact O-CG 3.44Å; L148-R151 PolarHBondContact O-N 3.27Å; L148-R151 PolarHBondContact O-NH1 2.88Å; L148-M172 HydrophobicContact CD1-CG 4.4Å; L148-M172 HydrophobicContact CD1-SD 4.1Å; L148-M172 HydrophobicContact CD2-CB 3.85Å; L148-M172 HydrophobicContact CD2-CG 4.26Å; L148-M172 HydrophobicContact CD2-SD 3.98Å; L148-M172 HydrophobicContact CG-CB 4.05Å; L148-M172 HydrophobicContact CG-CG 4.26Å; L148-M172 HydrophobicContact CG-SD 4.32Å; L148-S176 WeakPolarHBondContact CD2-OG 3.42Å
149	Q	97.7	Very high	97.8	Very high	51 Å²	51	27.6 Å²	27.6	24%	0.238	14%	0.138	C	C	.	.	H	α-helix	trans	-65.5	-37.3	178.6	-170.6	-167.7	44.9	0	0	111.6	Y105 H145 Y146 D297	Y105-Q149 HydrophobicContact CE2-CB 4.37Å; H145-Q149 PolarHBondContact O-N 2.81Å; Y146-Q149 PolarHBondContact O-N 3.02Å; Q149-D297 PolarHBondContact NE2-OD2 3.22Å; Q149-D297 PolarHBondContact OE1-OD2 3.09Å; Q149-D297 VanDerWaalsContact OE1-OD2 3.04Å
150	K	97.8	Very high	97.9	Very high	86 Å²	86	27.5 Å²	27.5	37%	0.374	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	16.4	179.6	-58	-61.4	-176.2	-179.9	0	113.4	Y146 C147 L148 H152 S153 F154	Y146-K150 HydrophobicContact CD1-CG 4.12Å; Y146-K150 HydrophobicContact CD2-CG 4.38Å; Y146-K150 HydrophobicContact CE1-CB 4.33Å; Y146-K150 HydrophobicContact CE1-CG 3.7Å; Y146-K150 HydrophobicContact CE2-CG 3.99Å; Y146-K150 HydrophobicContact CG-CG 4.45Å; Y146-K150 WeakPolarHBondContact O-CB 3.35Å; Y146-K150 PolarHBondContact O-N 3.48Å; C147-K150 CarbonylContact O-C 3.51Å; C147-K150 PolarHBondContact O-N 3.41Å; L148-K150 VanDerWaalsContact C-N 3.32Å; L148-K150 PolarHBondContact O-N 2.87Å; K150-H152 PolarHBondContact O-N 3.35Å; K150-S153 PolarHBondContact O-N 3.25Å; K150-S153 PolarHBondContact O-OG 2.65Å; K150-F154 HydrophobicContact CB-CE2 4.12Å; K150-F154 WeakPolarHBondContact O-CD2 3.48Å
151	R	97.6	Very high	97.9	Very high	45 Å²	45	26.8 Å²	26.8	17%	0.17	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-47.2	-34.2	-173.6	64.4	-173	176.7	-85.8	-0.1	114.9	C147 L148 S153 F154 A177	C147-R151 VanDerWaalsContact O-CA 3.26Å; C147-R151 WeakPolarHBondContact O-CA 3.49Å; C147-R151 PolarHBondContact O-N 3.03Å; L148-R151 WeakPolarHBondContact O-CB 3.32Å; L148-R151 WeakPolarHBondContact O-CD 3.34Å; L148-R151 WeakPolarHBondContact O-CG 3.44Å; L148-R151 PolarHBondContact O-N 3.27Å; L148-R151 PolarHBondContact O-NH1 2.88Å; R151-S153 VanDerWaalsContact C-N 3.28Å; R151-S153 PolarHBondContact O-N 2.92Å; R151-F154 PolarHBondContact O-N 2.9Å; R151-A177 HydrophobicContact CB-CB 4.42Å; R151-A177 WeakPolarHBondContact O-CB 3.22Å
152	H	97.2	Very high	97.9	Very high	136 Å²	136	27.2 Å²	27.2	63%	0.63	14%	0.141	S	C	*	.	G	3₁₀ helix	trans	-68.2	-21.3	179.3	-58.2	-66.7	0	0	0	114.5	K150	K150-H152 PolarHBondContact O-N 3.35Å
153	S	95.9	Very high	97.7	Very high	77 Å²	77	27.5 Å²	27.5	54%	0.538	14%	0.143	S	C	.	.	G	3₁₀ helix	trans	-83.4	-16	177.7	66.1	0	0	0	0	113.6	K150 R151	K150-S153 PolarHBondContact O-N 3.25Å; K150-S153 PolarHBondContact O-OG 2.65Å; R151-S153 VanDerWaalsContact C-N 3.28Å; R151-S153 PolarHBondContact O-N 2.92Å
154	F	97.6	Very high	97.4	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.009	15%	0.147	C	C	.	.			trans	-83.9	119.7	177.6	-62.6	-88.9	0	0	0	109.5	C147 K150 R151 V158 V173 A177 T235 M237 L266	C147-F154 HydrophobicContact CB-CE2 4.18Å; C147-F154 HydrophobicContact CB-CZ 4.14Å; C147-F154 VanDerWaalsContact SG-CZ 3.59Å; K150-F154 HydrophobicContact CB-CE2 4.12Å; K150-F154 WeakPolarHBondContact O-CD2 3.48Å; R151-F154 PolarHBondContact O-N 2.9Å; F154-V158 HydrophobicContact CD1-CG2 4.12Å; F154-V173 HydrophobicContact CB-CG1 4Å; F154-V173 HydrophobicContact CD1-CG1 4.11Å; F154-V173 HydrophobicContact CD1-CG2 3.94Å; F154-V173 HydrophobicContact CD2-CG2 4.31Å; F154-V173 HydrophobicContact CE1-CG2 3.9Å; F154-V173 HydrophobicContact CE2-CG2 4.3Å; F154-V173 HydrophobicContact CG-CG1 4.05Å; F154-V173 HydrophobicContact CG-CG2 4.14Å; F154-V173 HydrophobicContact CZ-CG2 4.09Å; F154-A177 HydrophobicContact CB-CB 3.86Å; F154-T235 HydrophobicContact CD1-CG2 4.25Å; F154-T235 HydrophobicContact CE1-CG2 3.94Å; F154-M237 HydrophobicContact CE1-SD 4.41Å; F154-L266 HydrophobicContact CE1-CD1 4.01Å; F154-L266 HydrophobicContact CZ-CD1 3.86Å
155	K	94.4	Very high	96.9	Very high	96 Å²	96	28.5 Å²	28.5	42%	0.417	15%	0.15	S	C	.	.			trans	-140.5	157.3	179.6	-65	-62.7	178.1	-170.8	0	109.5	A157 D178	K155-A157 PolarHBondContact O-N 3.41Å; K155-D178 WeakPolarHBondContact CD-O 3.47Å; K155-D178 PolarHBondContact NZ-O 2.7Å; K155-D178 IonicContact NZ-OD2 3.06Å; K155-D178 PolarHBondContact NZ-OD2 3.42Å
156	G	97.8	Very high	96.7	Very high	23 Å²	23	28.5 Å²	28.5	24%	0.237	15%	0.15	C	C	.	.	S	Bend	trans	60.3	-120.6	177.8	0	0	0	0	0	113	V179 K180 E181 D234	G156-V179 WeakPolarHBondContact O-CG2 3.06Å; G156-K180 WeakPolarHBondContact O-CA 3.21Å; G156-K180 VanDerWaalsContact O-CB 3.29Å; G156-K180 WeakPolarHBondContact O-CB 3.11Å; G156-K180 PolarHBondContact O-N 3.35Å; G156-E181 PolarHBondContact O-N 2.87Å; G156-D234 WeakPolarHBondContact CA-OD2 3.28Å
157	A	98.6	Very high	96.6	Very high	4 Å²	4	26.9 Å²	26.9	3%	0.033	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	127.5	-171.7	0	0	0	0	0	113.1	K155 E181 F233 D234 T235	K155-A157 PolarHBondContact O-N 3.41Å; A157-E181 HydrophobicContact CB-CG 3.54Å; A157-F233 HydrophobicContact CB-CD1 3.92Å; A157-D234 PolarHBondContact N-OD2 3.18Å; A157-D234 WeakPolarHBondContact O-CB 3.29Å; A157-D234 PolarHBondContact O-N 3.29Å; A157-T235 PolarHBondContact O-N 3.07Å
158	V	98.9	Very high	96.5	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	138.1	179.4	-179.1	0	0	0	0	110.9	F154 V173 V179 E181 V182 L183 T235 M237	F154-V158 HydrophobicContact CD1-CG2 4.12Å; V158-V173 HydrophobicContact CB-CG1 4.39Å; V158-V173 HydrophobicContact CG1-CG1 4.31Å; V158-V173 HydrophobicContact CG2-CG1 4.16Å; V158-V179 HydrophobicContact CB-CG2 4.39Å; V158-V179 HydrophobicContact CG2-CG2 3.64Å; V158-E181 PolarHBondContact N-O 3.24Å; V158-V182 HydrophobicContact CB-CG2 4.39Å; V158-V182 CarbonylContact O-C 3.47Å; V158-V182 VanDerWaalsContact O-CA 3.3Å; V158-V182 WeakPolarHBondContact O-CA 2.92Å; V158-L183 PolarHBondContact O-N 3.28Å; V158-T235 CarbonylContact C-O 3.51Å; V158-T235 VanDerWaalsContact CA-O 3.29Å; V158-T235 WeakPolarHBondContact CA-O 3.29Å; V158-M237 HydrophobicContact CG1-CE 3.61Å; V158-M237 HydrophobicContact CG1-SD 4.3Å
159	C	98.9	Very high	96.5	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	130.9	173.8	-175	0	0	0	0	110.8	L183 F233 T235 V236 M237	C159-L183 CarbonylContact C-O 3.51Å; C159-L183 WeakPolarHBondContact CA-O 3.41Å; C159-L183 HydrophobicContact CB-CB 4.49Å; C159-F233 HydrophobicContact CB-CB 4.45Å; C159-F233 HydrophobicContact CB-CD1 3.57Å; C159-F233 HydrophobicContact CB-CD2 3.74Å; C159-F233 HydrophobicContact CB-CE1 3.59Å; C159-F233 HydrophobicContact CB-CE2 3.73Å; C159-F233 HydrophobicContact CB-CG 3.64Å; C159-F233 HydrophobicContact CB-CZ 3.67Å; C159-T235 PolarHBondContact N-O 2.89Å; C159-V236 HydrophobicContact CB-CG2 4.34Å; C159-V236 CarbonylContact O-C 3.58Å; C159-V236 WeakPolarHBondContact O-CA 3.42Å; C159-M237 PolarHBondContact O-N 2.86Å
160	E	98.9	Very high	96.6	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.005	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	122.3	163.8	-173.6	172.4	-162.5	0	0	109.7	M143 C167 G169 G170 L183 S185 M237	M143-E160 HydrophobicContact CE-CG 4.23Å; M143-E160 WeakPolarHBondContact CE-OE1 3.38Å; E160-C167 WeakPolarHBondContact OE2-CA 3.48Å; E160-C167 VanDerWaalsContact OE2-CB 3.24Å; E160-C167 WeakPolarHBondContact OE2-CB 3.39Å; E160-C167 VanDerWaalsContact OE2-O 3.05Å; E160-G169 PolarHBondContact OE1-N 2.94Å; E160-G170 WeakPolarHBondContact OE2-CA 3.36Å; E160-G170 PolarHBondContact OE2-N 3.09Å; E160-L183 PolarHBondContact N-O 3.45Å; E160-S185 WeakPolarHBondContact O-CA 3.05Å; E160-S185 WeakPolarHBondContact O-CB 3.13Å; E160-S185 PolarHBondContact O-N 2.93Å; E160-S185 PolarHBondContact O-OG 2.81Å; E160-M237 CarbonylContact C-O 3.54Å; E160-M237 WeakPolarHBondContact CA-O 3.24Å; E160-M237 HydrophobicContact CB-CE 4.08Å; E160-M237 HydrophobicContact CB-CG 4.24Å; E160-M237 HydrophobicContact CG-CG 4.37Å
161	L	98.6	Very high	96.6	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.115	C	C	.	.	S	Bend	trans	-99.9	132.7	176.4	-67.9	174.6	0	0	0	110.7	G163 S185 V218 V236 M237 C238 L251 I255 L258	L161-G163 VanDerWaalsContact C-N 3.32Å; L161-G163 PolarHBondContact O-N 3.41Å; L161-S185 WeakPolarHBondContact CD2-OG 3.45Å; L161-V218 HydrophobicContact CD2-CG1 4.09Å; L161-V236 HydrophobicContact CD1-CG1 3.54Å; L161-V236 HydrophobicContact CG-CG1 3.94Å; L161-M237 PolarHBondContact N-O 3.5Å; L161-C238 HydrophobicContact CB-CB 4.19Å; L161-C238 WeakPolarHBondContact O-CB 3.17Å; L161-L251 HydrophobicContact CD1-CD1 4.1Å; L161-I255 HydrophobicContact CD1-CG1 3.95Å; L161-L258 HydrophobicContact CD1-CD1 3.95Å; L161-L258 HydrophobicContact CD2-CD1 3.77Å; L161-L258 HydrophobicContact CG-CD1 4.29Å
162	G	96.3	Very high	96.6	Very high	16 Å²	16	18.2 Å²	18.2	17%	0.165	11%	0.107	C	C	.	.	S	Bend	trans	66.1	34.7	174.8	0	0	0	0	0	113	G164 S185 D186	G162-G164 PolarHBondContact O-N 3.13Å; G162-G164 VanDerWaalsContact O-N 3.14Å; G162-S185 PolarHBondContact N-O 3.43Å; G162-D186 VanDerWaalsContact C-OD2 3.22Å; G162-D186 VanDerWaalsContact CA-OD2 3.3Å; G162-D186 WeakPolarHBondContact CA-OD2 3.49Å
163	G	94.6	Very high	96.7	Very high	5 Å²	5	11.8 Å²	11.8	5%	0.052	8%	0.077	C	C	.	.			trans	-74.4	5.9	-177.3	0	0	0	0	0	114.2	L161 T166 C167 S185	L161-G163 VanDerWaalsContact C-N 3.32Å; L161-G163 PolarHBondContact O-N 3.41Å; G163-T166 PolarHBondContact O-N 2.84Å; G163-C167 VanDerWaalsContact CA-SG 3.59Å; G163-C167 PolarHBondContact O-N 3.24Å; G163-S185 PolarHBondContact N-O 3.06Å
164	G	91.4	Very high	96.8	Very high	7 Å²	7	8.1 Å²	8.1	7%	0.072	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.4	-146.8	-179.7	0	0	0	0	0	112.3	G162 T166 D186 S191	G162-G164 PolarHBondContact O-N 3.13Å; G162-G164 VanDerWaalsContact O-N 3.14Å; G164-T166 PolarHBondContact O-N 3.5Å; G164-D186 VanDerWaalsContact CA-OD2 3.28Å; G164-D186 WeakPolarHBondContact CA-OD2 3.46Å; G164-D186 PolarHBondContact N-OD2 3.07Å; G164-S191 WeakPolarHBondContact O-CB 3.41Å
165	M	89.7	Confident	96.9	Very high	15 Å²	15	9.3 Å²	9.3	7%	0.074	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-10.6	-178.3	-67.4	-160.6	166.5	0	0	114	M116 G132 N133 N194 V195	M116-M165 HydrophobicContact CG-CE 4.46Å; M116-M165 HydrophobicContact CG-SD 3.92Å; G132-M165 WeakPolarHBondContact O-CB 3.16Å; G132-M165 VanDerWaalsContact O-CG 3.29Å; G132-M165 WeakPolarHBondContact O-CG 3.35Å; N133-M165 VanDerWaalsContact CA-SD 3.6Å; N133-M165 HydrophobicContact CB-CE 3.65Å; N133-M165 HydrophobicContact CB-SD 4.06Å; N133-M165 WeakPolarHBondContact OD1-CE 3.22Å; M165-N194 PolarHBondContact O-ND2 2.88Å; M165-V195 WeakPolarHBondContact O-CG2 3.32Å
166	T	92.8	Very high	97.1	Very high	1 Å²	1	5.5 Å²	5.5	1%	0.006	4%	0.043	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.6	-44.2	-169.1	97.7	0	0	0	0	113.6	D114 V136 E140 G163 G164 L168 L171	D114-T166 HydrophobicContact CB-CG2 4.47Å; V136-T166 HydrophobicContact CG2-CG2 4.13Å; E140-T166 PolarHBondContact OE1-OG1 3.05Å; G163-T166 PolarHBondContact O-N 2.84Å; G164-T166 PolarHBondContact O-N 3.5Å; T166-L168 VanDerWaalsContact C-N 3.26Å; T166-L168 PolarHBondContact O-N 3.07Å; T166-L168 PolarHBondContact OG1-N 3Å; T166-L171 WeakPolarHBondContact O-CD1 3.44Å
167	C	96.7	Very high	97.1	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	4%	0.036	C	C	.	.			trans	51.8	48.3	-172.4	-58.9	0	0	0	0	111.1	E140 E160 G163 G169 G170 L171 L184 V195	E140-C167 PolarHBondContact OE1-N 2.95Å; E160-C167 WeakPolarHBondContact OE2-CA 3.48Å; E160-C167 VanDerWaalsContact OE2-CB 3.24Å; E160-C167 WeakPolarHBondContact OE2-CB 3.39Å; E160-C167 VanDerWaalsContact OE2-O 3.05Å; G163-C167 VanDerWaalsContact CA-SG 3.59Å; G163-C167 PolarHBondContact O-N 3.24Å; C167-G169 VanDerWaalsContact C-N 3.28Å; C167-G169 PolarHBondContact O-N 2.89Å; C167-G170 PolarHBondContact O-N 3.31Å; C167-L171 VanDerWaalsContact O-CG 3.32Å; C167-L171 WeakPolarHBondContact O-CG 3.3Å; C167-L171 PolarHBondContact O-N 3.45Å; C167-L184 HydrophobicContact CB-CB 3.8Å; C167-L184 HydrophobicContact CB-CD1 4.06Å; C167-L184 HydrophobicContact CB-CD2 3.94Å; C167-L184 HydrophobicContact CB-CG 4.13Å; C167-V195 HydrophobicContact CB-CG1 4.45Å; C167-V195 HydrophobicContact CB-CG2 4.5Å
168	L	97.5	Very high	97	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-63.7	-36.1	-171.6	-178.4	60	0	0	0	111.7	Y100 L112 V136 E140 A144 T166 L171 M172	Y100-L168 HydrophobicContact CD1-CD2 4.12Å; L112-L168 HydrophobicContact CD1-CD1 3.88Å; L112-L168 HydrophobicContact CD2-CD1 4.34Å; V136-L168 HydrophobicContact CG1-CD2 3.72Å; V136-L168 HydrophobicContact CG2-CD2 4.08Å; E140-L168 HydrophobicContact CG-CB 4.08Å; E140-L168 PolarHBondContact OE1-N 3.09Å; A144-L168 HydrophobicContact CB-CB 4.37Å; A144-L168 HydrophobicContact CB-CD2 3.96Å; A144-L168 HydrophobicContact CB-CG 3.68Å; T166-L168 VanDerWaalsContact C-N 3.26Å; T166-L168 PolarHBondContact O-N 3.07Å; T166-L168 PolarHBondContact OG1-N 3Å; L168-L171 PolarHBondContact O-N 3.16Å; L168-M172 HydrophobicContact CD1-CE 3.47Å; L168-M172 VanDerWaalsContact CD1-CE 3.47Å; L168-M172 HydrophobicContact CD1-CG 4.24Å; L168-M172 HydrophobicContact CG-CG 4.46Å; L168-M172 WeakPolarHBondContact O-CG 3.33Å; L168-M172 PolarHBondContact O-N 3.04Å
169	G	98.1	Very high	96.9	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-61.6	-50.7	179.9	0	0	0	0	0	111.9	E160 C167 M172 V173	E160-G169 PolarHBondContact OE1-N 2.94Å; C167-G169 VanDerWaalsContact C-N 3.28Å; C167-G169 PolarHBondContact O-N 2.89Å; G169-M172 PolarHBondContact O-N 3.23Å; G169-V173 PolarHBondContact O-N 2.74Å
170	G	98.6	Very high	96.9	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-64.6	-38.9	177.3	0	0	0	0	0	112.6	E160 C167 M172 V173 A174	E160-G170 WeakPolarHBondContact OE2-CA 3.36Å; E160-G170 PolarHBondContact OE2-N 3.09Å; C167-G170 PolarHBondContact O-N 3.31Å; G170-M172 VanDerWaalsContact C-N 3.35Å; G170-M172 PolarHBondContact O-N 3.43Å; G170-V173 PolarHBondContact O-N 2.73Å; G170-A174 WeakPolarHBondContact O-CB 3.5Å; G170-A174 PolarHBondContact O-N 3.23Å
171	L	98.4	Very high	96.9	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-61	-43	172.5	-73.8	169.3	0	0	0	112.1	L112 T166 C167 L168 V173 A174 I175 L184 V198 F208	L112-L171 HydrophobicContact CD2-CD1 3.45Å; L112-L171 VanDerWaalsContact CD2-CD1 3.45Å; T166-L171 WeakPolarHBondContact O-CD1 3.44Å; C167-L171 VanDerWaalsContact O-CG 3.32Å; C167-L171 WeakPolarHBondContact O-CG 3.3Å; C167-L171 PolarHBondContact O-N 3.45Å; L168-L171 PolarHBondContact O-N 3.16Å; L171-V173 VanDerWaalsContact C-N 3.35Å; L171-A174 PolarHBondContact O-N 3.25Å; L171-I175 WeakPolarHBondContact O-CB 3.45Å; L171-I175 WeakPolarHBondContact O-CD1 3.44Å; L171-I175 VanDerWaalsContact O-CG1 3.22Å; L171-I175 WeakPolarHBondContact O-CG1 3.27Å; L171-I175 PolarHBondContact O-N 3.35Å; L171-L184 HydrophobicContact CD2-CD1 3.73Å; L171-L184 HydrophobicContact CG-CD1 3.86Å; L171-V198 HydrophobicContact CD1-CG1 3.47Å; L171-V198 VanDerWaalsContact CD1-CG1 3.47Å; L171-V198 HydrophobicContact CD2-CG1 4.25Å; L171-F208 HydrophobicContact CD2-CE1 4.01Å; L171-F208 HydrophobicContact CD2-CZ 3.88Å
172	M	98.6	Very high	96.9	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-66.4	-36.9	177.4	-72.3	-54.8	136.4	0	0	112.3	F79 A110 A144 L148 L168 G169 G170 I175 S176	F79-M172 HydrophobicContact CE1-CE 4.05Å; F79-M172 HydrophobicContact CE1-CG 4.12Å; F79-M172 HydrophobicContact CE1-SD 3.84Å; F79-M172 HydrophobicContact CZ-CG 4.06Å; F79-M172 HydrophobicContact CZ-SD 4.36Å; A110-M172 HydrophobicContact CB-CE 3.42Å; A110-M172 VanDerWaalsContact CB-CE 3.42Å; A144-M172 HydrophobicContact CB-CB 4.42Å; A144-M172 HydrophobicContact CB-CG 3.95Å; L148-M172 HydrophobicContact CD1-CG 4.4Å; L148-M172 HydrophobicContact CD1-SD 4.1Å; L148-M172 HydrophobicContact CD2-CB 3.85Å; L148-M172 HydrophobicContact CD2-CG 4.26Å; L148-M172 HydrophobicContact CD2-SD 3.98Å; L148-M172 HydrophobicContact CG-CB 4.05Å; L148-M172 HydrophobicContact CG-CG 4.26Å; L148-M172 HydrophobicContact CG-SD 4.32Å; L168-M172 HydrophobicContact CD1-CE 3.47Å; L168-M172 VanDerWaalsContact CD1-CE 3.47Å; L168-M172 HydrophobicContact CD1-CG 4.24Å; L168-M172 HydrophobicContact CG-CG 4.46Å; L168-M172 WeakPolarHBondContact O-CG 3.33Å; L168-M172 PolarHBondContact O-N 3.04Å; G169-M172 PolarHBondContact O-N 3.23Å; G170-M172 VanDerWaalsContact C-N 3.35Å; G170-M172 PolarHBondContact O-N 3.43Å; M172-I175 PolarHBondContact O-N 2.71Å; M172-S176 WeakPolarHBondContact O-CB 3.28Å; M172-S176 PolarHBondContact O-N 3.45Å; M172-S176 VanDerWaalsContact O-N 3.12Å; M172-S176 PolarHBondContact O-OG 3.12Å
173	V	98.8	Very high	97	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-60.6	-48.7	170.3	172.3	0	0	0	0	110.5	C147 F154 V158 G169 G170 L171 I175 S176 A177 V179 V182 M237	C147-V173 HydrophobicContact CB-CG2 3.64Å; F154-V173 HydrophobicContact CB-CG1 4Å; F154-V173 HydrophobicContact CD1-CG1 4.11Å; F154-V173 HydrophobicContact CD1-CG2 3.94Å; F154-V173 HydrophobicContact CD2-CG2 4.31Å; F154-V173 HydrophobicContact CE1-CG2 3.9Å; F154-V173 HydrophobicContact CE2-CG2 4.3Å; F154-V173 HydrophobicContact CG-CG1 4.05Å; F154-V173 HydrophobicContact CG-CG2 4.14Å; F154-V173 HydrophobicContact CZ-CG2 4.09Å; V158-V173 HydrophobicContact CB-CG1 4.39Å; V158-V173 HydrophobicContact CG1-CG1 4.31Å; V158-V173 HydrophobicContact CG2-CG1 4.16Å; G169-V173 PolarHBondContact O-N 2.74Å; G170-V173 PolarHBondContact O-N 2.73Å; L171-V173 VanDerWaalsContact C-N 3.35Å; V173-I175 VanDerWaalsContact C-N 3.25Å; V173-I175 PolarHBondContact O-N 2.94Å; V173-S176 PolarHBondContact O-N 3.38Å; V173-A177 HydrophobicContact CG1-CB 4.15Å; V173-A177 VanDerWaalsContact O-CB 3.28Å; V173-A177 WeakPolarHBondContact O-CB 3.4Å; V173-A177 PolarHBondContact O-N 3.04Å; V173-V179 HydrophobicContact CG1-CB 4.44Å; V173-V179 HydrophobicContact CG1-CG1 4.15Å; V173-V179 HydrophobicContact CG1-CG2 4.43Å; V173-V182 HydrophobicContact CG1-CG2 4.12Å; V173-M237 HydrophobicContact CB-CE 4.43Å; V173-M237 HydrophobicContact CG2-CE 3.86Å; V173-M237 HydrophobicContact CG2-SD 4.31Å
174	A	98.7	Very high	97.2	Very high	1 Å²	1	18 Å²	18	1%	0.008	9%	0.093	C	C	.	.	H	α-helix	trans	-63.2	-27.4	-177.9	0	0	0	0	0	114.6	G170 L171 V182 F208 T211 V213	G170-A174 WeakPolarHBondContact O-CB 3.5Å; G170-A174 PolarHBondContact O-N 3.23Å; L171-A174 PolarHBondContact O-N 3.25Å; A174-V182 HydrophobicContact CB-CB 4.21Å; A174-V182 HydrophobicContact CB-CG2 3.87Å; A174-F208 HydrophobicContact CB-CD1 3.85Å; A174-F208 HydrophobicContact CB-CE1 3.97Å; A174-T211 HydrophobicContact CB-CG2 4.21Å; A174-V213 HydrophobicContact CB-CG2 3.56Å
175	I	98.4	Very high	97.6	Very high	27 Å²	27	17.7 Å²	17.7	14%	0.138	9%	0.09	C	C	.	.	H	α-helix	trans	-90.3	-28	-178	-66.9	168.5	0	0	0	112	Y108 A110 L171 M172 V173 K207 F208	Y108-I175 HydrophobicContact CD1-CG2 4.04Å; A110-I175 HydrophobicContact CB-CD1 3.64Å; L171-I175 WeakPolarHBondContact O-CB 3.45Å; L171-I175 WeakPolarHBondContact O-CD1 3.44Å; L171-I175 VanDerWaalsContact O-CG1 3.22Å; L171-I175 WeakPolarHBondContact O-CG1 3.27Å; L171-I175 PolarHBondContact O-N 3.35Å; M172-I175 PolarHBondContact O-N 2.71Å; V173-I175 VanDerWaalsContact C-N 3.25Å; V173-I175 PolarHBondContact O-N 2.94Å; I175-K207 HydrophobicContact CD1-CB 4.3Å; I175-K207 HydrophobicContact CG1-CB 4.11Å; I175-F208 HydrophobicContact CD1-CE1 4.37Å; I175-F208 HydrophobicContact CG1-CD1 3.86Å; I175-F208 HydrophobicContact CG1-CE1 3.88Å
176	S	98.3	Very high	97.9	Very high	15 Å²	15	18 Å²	18	11%	0.105	9%	0.092	C	C	.	.	H	α-helix	trans	-115.1	-21.7	-168.2	70.2	0	0	0	0	115.2	L148 M172 V173	L148-S176 WeakPolarHBondContact CD2-OG 3.42Å; M172-S176 WeakPolarHBondContact O-CB 3.28Å; M172-S176 PolarHBondContact O-N 3.45Å; M172-S176 VanDerWaalsContact O-N 3.12Å; M172-S176 PolarHBondContact O-OG 3.12Å; V173-S176 PolarHBondContact O-N 3.38Å
177	A	97.9	Very high	98	Very high	11 Å²	11	19.7 Å²	19.7	9%	0.091	11%	0.109	C	C	.	.	S	Bend	trans	-99.5	150.3	-177.1	0	0	0	0	0	111.7	R151 F154 V173 V179	R151-A177 HydrophobicContact CB-CB 4.42Å; R151-A177 WeakPolarHBondContact O-CB 3.22Å; F154-A177 HydrophobicContact CB-CB 3.86Å; V173-A177 HydrophobicContact CG1-CB 4.15Å; V173-A177 VanDerWaalsContact O-CB 3.28Å; V173-A177 WeakPolarHBondContact O-CB 3.4Å; V173-A177 PolarHBondContact O-N 3.04Å; A177-V179 HydrophobicContact CB-CB 4.19Å; A177-V179 HydrophobicContact CB-CG1 4.3Å; A177-V179 PolarHBondContact O-N 2.97Å
178	D	96.4	Very high	97.7	Very high	116 Å²	116	21 Å²	21	62%	0.62	12%	0.115	S	C	*	.			trans	-81.9	73.1	166.1	168.2	45.2	0	0	0	108.7	K155	K155-D178 WeakPolarHBondContact CD-O 3.47Å; K155-D178 PolarHBondContact NZ-O 2.7Å; K155-D178 IonicContact NZ-OD2 3.06Å; K155-D178 PolarHBondContact NZ-OD2 3.42Å
179	V	98.1	Very high	97.4	Very high	5 Å²	5	24.8 Å²	24.8	3%	0.03	13%	0.134	C	C	.	.			trans	-111	140.9	-175.9	68.3	0	0	0	0	109.5	G156 V158 V173 A177 V182 T211	G156-V179 WeakPolarHBondContact O-CG2 3.06Å; V158-V179 HydrophobicContact CB-CG2 4.39Å; V158-V179 HydrophobicContact CG2-CG2 3.64Å; V173-V179 HydrophobicContact CG1-CB 4.44Å; V173-V179 HydrophobicContact CG1-CG1 4.15Å; V173-V179 HydrophobicContact CG1-CG2 4.43Å; A177-V179 HydrophobicContact CB-CB 4.19Å; A177-V179 HydrophobicContact CB-CG1 4.3Å; A177-V179 PolarHBondContact O-N 2.97Å; V179-V182 HydrophobicContact CG1-CG2 3.71Å; V179-V182 HydrophobicContact CG2-CG2 4.22Å; V179-T211 HydrophobicContact CG1-CG2 3.53Å; V179-T211 PolarHBondContact O-OG1 2.82Å
180	K	98.4	Very high	97	Very high	136 Å²	136	29.7 Å²	29.7	59%	0.591	16%	0.155	S	C	*	.	S	Bend	trans	-71.9	-50	-177.8	178.3	-166.9	167.6	-131.4	0	110.2	G156 H212	G156-K180 WeakPolarHBondContact O-CA 3.21Å; G156-K180 VanDerWaalsContact O-CB 3.29Å; G156-K180 WeakPolarHBondContact O-CB 3.11Å; G156-K180 PolarHBondContact O-N 3.35Å; K180-H212 PolarHBondContact O-N 2.85Å
181	E	98.7	Very high	96.6	Very high	33 Å²	33	29.8 Å²	29.8	15%	0.154	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	147.8	-177.3	65.7	-162.1	126.7	0	0	113.2	G156 A157 V158 H212 H232	G156-E181 PolarHBondContact O-N 2.87Å; A157-E181 HydrophobicContact CB-CG 3.54Å; V158-E181 PolarHBondContact N-O 3.24Å; E181-H212 CarbonylContact C-O 3.6Å; E181-H212 WeakPolarHBondContact CA-O 3.46Å; E181-H212 HydrophobicContact CB-CB 4.1Å; E181-H232 IonicContact OE1-CE1 3.89Å; E181-H232 PolarHBondContact OE1-CE1 2.88Å; E181-H232 IonicContact OE1-NE2 2.76Å; E181-H232 PolarHBondContact OE1-NE2 3.44Å; E181-H232 IonicContact OE2-NE2 2.81Å
182	V	98.9	Very high	96.4	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.006	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	122.3	174.8	-177.1	0	0	0	0	109.3	V158 V173 A174 V179 L184 T211 H212 V213 S214	V158-V182 HydrophobicContact CB-CG2 4.39Å; V158-V182 CarbonylContact O-C 3.47Å; V158-V182 VanDerWaalsContact O-CA 3.3Å; V158-V182 WeakPolarHBondContact O-CA 2.92Å; V173-V182 HydrophobicContact CG1-CG2 4.12Å; A174-V182 HydrophobicContact CB-CB 4.21Å; A174-V182 HydrophobicContact CB-CG2 3.87Å; V179-V182 HydrophobicContact CG1-CG2 3.71Å; V179-V182 HydrophobicContact CG2-CG2 4.22Å; V182-L184 HydrophobicContact CG1-CD2 3.61Å; V182-L184 HydrophobicContact CG1-CG 4.42Å; V182-T211 HydrophobicContact CG2-CG2 4.02Å; V182-H212 PolarHBondContact N-O 2.96Å; V182-V213 WeakPolarHBondContact O-CA 3.39Å; V182-S214 PolarHBondContact O-N 3.43Å
183	L	98.9	Very high	96.2	Very high	11 Å²	11	34.4 Å²	34.4	6%	0.058	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	120	169.4	-178.7	64.2	0	0	0	109.9	V158 C159 E160 S214 R216 L229 F233	V158-L183 PolarHBondContact O-N 3.28Å; C159-L183 CarbonylContact C-O 3.51Å; C159-L183 WeakPolarHBondContact CA-O 3.41Å; C159-L183 HydrophobicContact CB-CB 4.49Å; E160-L183 PolarHBondContact N-O 3.45Å; L183-S214 WeakPolarHBondContact CD1-OG 3.31Å; L183-R216 HydrophobicContact CD1-CB 3.79Å; L183-L229 HydrophobicContact CD2-CD1 3.69Å; L183-L229 HydrophobicContact CD2-CD2 4.08Å; L183-F233 HydrophobicContact CB-CE1 3.87Å; L183-F233 HydrophobicContact CB-CZ 3.83Å; L183-F233 HydrophobicContact CD2-CE1 4.47Å; L183-F233 HydrophobicContact CD2-CE2 4.3Å; L183-F233 HydrophobicContact CD2-CZ 3.58Å; L183-F233 HydrophobicContact CG-CZ 4.34Å
184	L	98.8	Very high	95.9	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	120.8	173.1	-51.5	-178.3	0	0	0	109.1	C167 L171 V182 V195 V199 V213 S214 S215 R216	C167-L184 HydrophobicContact CB-CB 3.8Å; C167-L184 HydrophobicContact CB-CD1 4.06Å; C167-L184 HydrophobicContact CB-CD2 3.94Å; C167-L184 HydrophobicContact CB-CG 4.13Å; L171-L184 HydrophobicContact CD2-CD1 3.73Å; L171-L184 HydrophobicContact CG-CD1 3.86Å; V182-L184 HydrophobicContact CG1-CD2 3.61Å; V182-L184 HydrophobicContact CG1-CG 4.42Å; L184-V195 HydrophobicContact CB-CG1 3.76Å; L184-V195 HydrophobicContact CD1-CG1 3.76Å; L184-V195 HydrophobicContact CG-CG1 4.42Å; L184-V199 HydrophobicContact CD1-CG2 3.62Å; L184-V213 HydrophobicContact CD1-CG1 4.12Å; L184-V213 HydrophobicContact CG-CG1 4.34Å; L184-S214 PolarHBondContact N-O 2.9Å; L184-S215 CarbonylContact O-C 3.26Å; L184-S215 WeakPolarHBondContact O-CA 3.38Å; L184-S215 WeakPolarHBondContact O-CB 3.19Å; L184-R216 PolarHBondContact O-N 2.69Å
185	S	98.5	Very high	95.7	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	154.5	-172.2	76.5	0	0	0	0	114.8	E160 L161 G162 G163 R216	E160-S185 WeakPolarHBondContact O-CA 3.05Å; E160-S185 WeakPolarHBondContact O-CB 3.13Å; E160-S185 PolarHBondContact O-N 2.93Å; E160-S185 PolarHBondContact O-OG 2.81Å; L161-S185 WeakPolarHBondContact CD2-OG 3.45Å; G162-S185 PolarHBondContact N-O 3.43Å; G163-S185 PolarHBondContact N-O 3.06Å; S185-R216 VanDerWaalsContact CA-O 3.28Å; S185-R216 WeakPolarHBondContact CA-O 3.31Å; S185-R216 VanDerWaalsContact CB-O 3.27Å; S185-R216 WeakPolarHBondContact CB-O 3.34Å
186	D	97.1	Very high	95.7	Very high	22 Å²	22	38.3 Å²	38.3	12%	0.118	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	156.1	179.8	-164.8	-92.5	0	0	0	108.7	G162 G164 N188 I192 V217 V218	G162-D186 VanDerWaalsContact C-OD2 3.22Å; G162-D186 VanDerWaalsContact CA-OD2 3.3Å; G162-D186 WeakPolarHBondContact CA-OD2 3.49Å; G164-D186 VanDerWaalsContact CA-OD2 3.28Å; G164-D186 WeakPolarHBondContact CA-OD2 3.46Å; G164-D186 PolarHBondContact N-OD2 3.07Å; D186-N188 VanDerWaalsContact C-N 3.3Å; D186-N188 WeakPolarHBondContact OD1-CB 3.46Å; D186-N188 PolarHBondContact OD1-N 2.76Å; D186-I192 HydrophobicContact CB-CD1 3.93Å; D186-I192 HydrophobicContact CB-CG1 4Å; D186-V217 VanDerWaalsContact O-CA 3.31Å; D186-V217 WeakPolarHBondContact O-CA 3.24Å; D186-V218 PolarHBondContact O-N 3.2Å
187	G	94.7	Very high	95.5	Very high	35 Å²	35	43.7 Å²	43.7	36%	0.361	21%	0.208	S	C	.	.	S	Bend	trans	-77.6	-15.6	177	0	0	0	0	0	113.7
188	N	89.6	Confident	95.4	Very high	27 Å²	27	43.2 Å²	43.2	14%	0.144	20%	0.204	C	C	.	.			trans	-96.4	115.9	-177.6	-175.8	-18.4	0	0	0	111.4	S127 D186 K190 S191 I192	S127-N188 PolarHBondContact OG-ND2 3.44Å; D186-N188 VanDerWaalsContact C-N 3.3Å; D186-N188 WeakPolarHBondContact OD1-CB 3.46Å; D186-N188 PolarHBondContact OD1-N 2.76Å; N188-K190 VanDerWaalsContact C-N 3.26Å; N188-K190 PolarHBondContact O-N 3.09Å; N188-K190 WeakPolarHBondContact OD1-CB 3.31Å; N188-K190 PolarHBondContact OD1-N 2.91Å; N188-S191 VanDerWaalsContact O-CB 3.3Å; N188-S191 WeakPolarHBondContact O-CB 3.48Å; N188-S191 PolarHBondContact O-N 3.06Å; N188-I192 PolarHBondContact O-N 3.09Å; N188-I192 VanDerWaalsContact O-N 3.09Å
189	E	91.3	Very high	95.5	Very high	81 Å²	81	38 Å²	38	38%	0.379	18%	0.177	S	C	.	.	H	α-helix	trans	-57.4	-35.8	178.7	179.1	63.7	-136.1	0	0	112.8	S191 I192 Q193 R196 V217	E189-S191 VanDerWaalsContact C-N 3.34Å; E189-S191 PolarHBondContact O-N 2.84Å; E189-I192 PolarHBondContact O-N 2.88Å; E189-Q193 HydrophobicContact CG-CG 4.46Å; E189-Q193 VanDerWaalsContact O-CG 3.26Å; E189-Q193 WeakPolarHBondContact O-CG 3.43Å; E189-Q193 PolarHBondContact O-N 3.47Å; E189-Q193 PolarHBondContact OE1-NE2 2.83Å; E189-R196 IonicContact OE1-CZ 3.65Å; E189-R196 IonicContact OE1-NH1 2.9Å; E189-R196 PolarHBondContact OE1-NH1 3.5Å; E189-R196 IonicContact OE1-NH2 2.6Å; E189-V217 HydrophobicContact CB-CG2 4.1Å; E189-V217 WeakPolarHBondContact OE2-CG2 3.39Å
190	K	89.3	Confident	95.5	Very high	102 Å²	102	41.9 Å²	41.9	44%	0.443	19%	0.194	S	C	.	.	H	α-helix	trans	-66.3	-39.4	176.9	-69.1	-174.3	176.2	-178	0	111.7	E123 N188 I192 Q193 N194	E123-K190 IonicContact OE1-NZ 3.75Å; E123-K190 PolarHBondContact OE1-NZ 2.95Å; N188-K190 VanDerWaalsContact C-N 3.26Å; N188-K190 PolarHBondContact O-N 3.09Å; N188-K190 WeakPolarHBondContact OD1-CB 3.31Å; N188-K190 PolarHBondContact OD1-N 2.91Å; K190-I192 VanDerWaalsContact C-N 3.33Å; K190-Q193 PolarHBondContact O-N 3.08Å; K190-N194 PolarHBondContact O-N 3.07Å; K190-N194 VanDerWaalsContact O-N 3.14Å
191	S	90.6	Very high	95.4	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.014	18%	0.177	C	C	.	.	H	α-helix	trans	-59	-49	174.5	-61.2	0	0	0	0	110.1	G164 N188 E189 Q193 N194 V195	G164-S191 WeakPolarHBondContact O-CB 3.41Å; N188-S191 VanDerWaalsContact O-CB 3.3Å; N188-S191 WeakPolarHBondContact O-CB 3.48Å; N188-S191 PolarHBondContact O-N 3.06Å; E189-S191 VanDerWaalsContact C-N 3.34Å; E189-S191 PolarHBondContact O-N 2.84Å; S191-Q193 PolarHBondContact O-N 2.77Å; S191-N194 WeakPolarHBondContact O-CB 3.16Å; S191-N194 PolarHBondContact O-N 3.43Å; S191-V195 WeakPolarHBondContact O-CG2 3.1Å; S191-V195 PolarHBondContact O-N 2.85Å
192	I	95	Very high	95.3	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-68	-32.5	179.7	-66.5	-62.1	0	0	0	113.3	D186 N188 E189 K190 N194 V195 R196 R216 V217	D186-I192 HydrophobicContact CB-CD1 3.93Å; D186-I192 HydrophobicContact CB-CG1 4Å; N188-I192 PolarHBondContact O-N 3.09Å; N188-I192 VanDerWaalsContact O-N 3.09Å; E189-I192 PolarHBondContact O-N 2.88Å; K190-I192 VanDerWaalsContact C-N 3.33Å; I192-N194 VanDerWaalsContact C-N 3.28Å; I192-N194 PolarHBondContact O-N 3.21Å; I192-V195 HydrophobicContact CD1-CB 4.4Å; I192-V195 HydrophobicContact CD1-CG2 4.47Å; I192-V195 PolarHBondContact O-N 3.14Å; I192-R196 HydrophobicContact CG2-CG 4.43Å; I192-R196 VanDerWaalsContact O-CG 3.3Å; I192-R196 WeakPolarHBondContact O-CG 3.09Å; I192-R196 PolarHBondContact O-N 3.43Å; I192-R216 WeakPolarHBondContact CD1-O 3.3Å; I192-V217 HydrophobicContact CB-CG2 3.84Å; I192-V217 HydrophobicContact CG1-CG2 3.88Å; I192-V217 HydrophobicContact CG2-CG2 4.14Å
193	Q	93.2	Very high	95.3	Very high	98 Å²	98	41.5 Å²	41.5	46%	0.458	19%	0.188	S	C	.	.	H	α-helix	trans	-59.8	-39	170	-74.6	172.3	7.7	0	0	112.3	E189 K190 S191	E189-Q193 HydrophobicContact CG-CG 4.46Å; E189-Q193 VanDerWaalsContact O-CG 3.26Å; E189-Q193 WeakPolarHBondContact O-CG 3.43Å; E189-Q193 PolarHBondContact O-N 3.47Å; E189-Q193 PolarHBondContact OE1-NE2 2.83Å; K190-Q193 PolarHBondContact O-N 3.08Å; S191-Q193 PolarHBondContact O-N 2.77Å
194	N	92.8	Very high	95.2	Very high	4 Å²	4	47 Å²	47	2%	0.021	21%	0.213	C	C	.	.	H	α-helix	trans	-69	-46	173.5	-171	64.6	0	0	0	111.6	R113 M116 M165 K190 S191 I192 R196 R197 V198	R113-N194 VanDerWaalsContact CB-OD1 3.29Å; R113-N194 WeakPolarHBondContact CB-OD1 3.49Å; R113-N194 WeakPolarHBondContact CD-OD1 3.43Å; R113-N194 PolarHBondContact NE-OD1 2.85Å; R113-N194 PolarHBondContact O-ND2 3.31Å; M116-N194 PolarHBondContact SD-OD1 2.94Å; M165-N194 PolarHBondContact O-ND2 2.88Å; K190-N194 PolarHBondContact O-N 3.07Å; K190-N194 VanDerWaalsContact O-N 3.14Å; S191-N194 WeakPolarHBondContact O-CB 3.16Å; S191-N194 PolarHBondContact O-N 3.43Å; I192-N194 VanDerWaalsContact C-N 3.28Å; I192-N194 PolarHBondContact O-N 3.21Å; N194-R196 VanDerWaalsContact C-N 3.28Å; N194-R196 PolarHBondContact O-N 2.93Å; N194-R197 WeakPolarHBondContact O-CA 3.03Å; N194-R197 WeakPolarHBondContact O-CB 3.33Å; N194-R197 PolarHBondContact O-N 2.99Å; N194-V198 PolarHBondContact O-N 3.4Å
195	V	95.8	Very high	95.1	Very high	0 Å²	0	49 Å²	49	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-58.9	-38.9	178.7	175.9	0	0	0	0	111.2	M165 C167 L184 S191 I192 R197 V198 V199	M165-V195 WeakPolarHBondContact O-CG2 3.32Å; C167-V195 HydrophobicContact CB-CG1 4.45Å; C167-V195 HydrophobicContact CB-CG2 4.5Å; L184-V195 HydrophobicContact CB-CG1 3.76Å; L184-V195 HydrophobicContact CD1-CG1 3.76Å; L184-V195 HydrophobicContact CG-CG1 4.42Å; S191-V195 WeakPolarHBondContact O-CG2 3.1Å; S191-V195 PolarHBondContact O-N 2.85Å; I192-V195 HydrophobicContact CD1-CB 4.4Å; I192-V195 HydrophobicContact CD1-CG2 4.47Å; I192-V195 PolarHBondContact O-N 3.14Å; V195-R197 VanDerWaalsContact C-N 3.29Å; V195-R197 PolarHBondContact O-N 3.49Å; V195-V198 WeakPolarHBondContact O-CB 3Å; V195-V198 PolarHBondContact O-N 3.24Å; V195-V198 VanDerWaalsContact O-N 3.12Å; V195-V199 HydrophobicContact CG1-CG2 4.22Å; V195-V199 WeakPolarHBondContact O-CG2 3.32Å; V195-V199 PolarHBondContact O-N 3.2Å
196	R	97.1	Very high	95	Very high	105 Å²	105	51.8 Å²	51.8	40%	0.396	26%	0.258	S	S	.	.	H	α-helix	trans	-55.3	-43.1	173.3	-75.6	175.8	-169	126.7	-1.2	112	E189 I192 N194 E200 S215	E189-R196 IonicContact OE1-CZ 3.65Å; E189-R196 IonicContact OE1-NH1 2.9Å; E189-R196 PolarHBondContact OE1-NH1 3.5Å; E189-R196 IonicContact OE1-NH2 2.6Å; I192-R196 HydrophobicContact CG2-CG 4.43Å; I192-R196 VanDerWaalsContact O-CG 3.3Å; I192-R196 WeakPolarHBondContact O-CG 3.09Å; I192-R196 PolarHBondContact O-N 3.43Å; N194-R196 VanDerWaalsContact C-N 3.28Å; N194-R196 PolarHBondContact O-N 2.93Å; R196-E200 PolarHBondContact O-N 3.29Å; R196-S215 WeakPolarHBondContact CG-OG 3.32Å
197	R	95.3	Very high	95.1	Very high	129 Å²	129	53 Å²	53	49%	0.487	26%	0.262	S	S	.	.	H	α-helix	trans	-68.5	-40.1	176.9	-61.4	178.6	-177.1	-174.8	-2.3	111.6	W97 R113 N194 V195 E200 R201	W97-R197 HydrophobicContact CH2-CB 4.46Å; R113-R197 VanDerWaalsContact NH1-CD 3.34Å; N194-R197 WeakPolarHBondContact O-CA 3.03Å; N194-R197 WeakPolarHBondContact O-CB 3.33Å; N194-R197 PolarHBondContact O-N 2.99Å; V195-R197 VanDerWaalsContact C-N 3.29Å; V195-R197 PolarHBondContact O-N 3.49Å; R197-E200 PolarHBondContact O-N 2.85Å; R197-R201 WeakPolarHBondContact O-CB 3.28Å; R197-R201 PolarHBondContact O-N 2.84Å
198	V	95.8	Very high	95.2	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-60.7	-47.5	175.4	167.1	0	0	0	0	110.9	W97 F111 L112 R113 L171 N194 V195 E200 R201 N202	W97-V198 HydrophobicContact CH2-CG2 4.45Å; W97-V198 HydrophobicContact CZ3-CG2 4.16Å; F111-V198 WeakPolarHBondContact O-CG1 3.45Å; L112-V198 HydrophobicContact CD2-CG1 3.95Å; R113-V198 HydrophobicContact CB-CG2 4.39Å; L171-V198 HydrophobicContact CD1-CG1 3.47Å; L171-V198 VanDerWaalsContact CD1-CG1 3.47Å; L171-V198 HydrophobicContact CD2-CG1 4.25Å; N194-V198 PolarHBondContact O-N 3.4Å; V195-V198 WeakPolarHBondContact O-CB 3Å; V195-V198 PolarHBondContact O-N 3.24Å; V195-V198 VanDerWaalsContact O-N 3.12Å; V198-E200 PolarHBondContact O-N 3.24Å; V198-R201 PolarHBondContact O-N 2.83Å; V198-N202 PolarHBondContact O-N 2.69Å; V198-N202 VanDerWaalsContact O-N 3.08Å; V198-N202 PolarHBondContact O-ND2 3.24Å
199	V	98.2	Very high	95.5	Very high	8 Å²	8	54 Å²	54	5%	0.048	28%	0.277	C	S	.	.	H	α-helix	trans	-57.6	-49.9	175.4	170.3	0	0	0	0	110.2	L184 V195 R201 N202 R203 F208 V213	L184-V199 HydrophobicContact CD1-CG2 3.62Å; V195-V199 HydrophobicContact CG1-CG2 4.22Å; V195-V199 WeakPolarHBondContact O-CG2 3.32Å; V195-V199 PolarHBondContact O-N 3.2Å; V199-R201 PolarHBondContact O-N 3.32Å; V199-N202 PolarHBondContact O-N 3.25Å; V199-R203 WeakPolarHBondContact O-CB 3.29Å; V199-R203 PolarHBondContact O-N 3.29Å; V199-F208 HydrophobicContact CG1-CE2 4.05Å; V199-F208 VanDerWaalsContact O-CE2 3.31Å; V199-F208 WeakPolarHBondContact O-CE2 3.36Å; V199-V213 HydrophobicContact CG1-CB 4.22Å; V199-V213 HydrophobicContact CG1-CG1 3.96Å; V199-V213 HydrophobicContact CG2-CG1 3.88Å
200	E	97.6	Very high	95.7	Very high	86 Å²	86	55.7 Å²	55.7	40%	0.402	30%	0.297	S	S	.	.	H	α-helix	trans	-61.5	-44.2	-178.6	-175.9	53.3	-152.4	0	0	112.3	R196 R197 V198 N202 R203 Q204	R196-E200 PolarHBondContact O-N 3.29Å; R197-E200 PolarHBondContact O-N 2.85Å; V198-E200 PolarHBondContact O-N 3.24Å; E200-N202 PolarHBondContact O-N 2.76Å; E200-R203 WeakPolarHBondContact O-CB 3.28Å; E200-R203 PolarHBondContact O-N 2.82Å; E200-Q204 VanDerWaalsContact O-CG 3.3Å; E200-Q204 WeakPolarHBondContact O-CG 3.3Å; E200-Q204 PolarHBondContact O-N 2.95Å; E200-Q204 WeakPolarHBondContact OE1-CG 3.34Å; E200-Q204 PolarHBondContact OE1-NE2 2.84Å
201	R	96	Very high	96.1	Very high	59 Å²	59	51.3 Å²	51.3	22%	0.223	28%	0.279	C	S	.	.	H	α-helix	trans	-61.1	-43.3	178.2	-177.2	63.4	179.3	130.6	-0.4	112.5	W97 F111 R197 V198 V199 A205	W97-R201 HydrophobicContact CD2-CG 4.45Å; W97-R201 HydrophobicContact CE3-CG 4.09Å; W97-R201 HydrophobicContact CH2-CB 3.47Å; W97-R201 VanDerWaalsContact CH2-CB 3.47Å; W97-R201 HydrophobicContact CH2-CG 3.82Å; W97-R201 HydrophobicContact CZ2-CB 4.07Å; W97-R201 HydrophobicContact CZ2-CG 4.17Å; W97-R201 HydrophobicContact CZ3-CB 3.75Å; W97-R201 HydrophobicContact CZ3-CG 3.76Å; F111-R201 HydrophobicContact CB-CG 4.01Å; F111-R201 HydrophobicContact CD2-CG 4.19Å; F111-R201 HydrophobicContact CG-CG 4.41Å; R197-R201 WeakPolarHBondContact O-CB 3.28Å; R197-R201 PolarHBondContact O-N 2.84Å; V198-R201 PolarHBondContact O-N 2.83Å; V199-R201 PolarHBondContact O-N 3.32Å; R201-A205 WeakPolarHBondContact O-CB 3.4Å; R201-A205 PolarHBondContact O-N 2.86Å
202	N	97.9	Very high	96.5	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-71.7	-33.1	178.5	-73.7	-80.1	0	0	0	112	A110 F111 V198 V199 E200 A205 G206 K207 F208	A110-N202 WeakPolarHBondContact CA-OD1 3.2Å; F111-N202 PolarHBondContact N-OD1 2.97Å; F111-N202 PolarHBondContact O-ND2 3.05Å; V198-N202 PolarHBondContact O-N 2.69Å; V198-N202 VanDerWaalsContact O-N 3.08Å; V198-N202 PolarHBondContact O-ND2 3.24Å; V199-N202 PolarHBondContact O-N 3.25Å; E200-N202 PolarHBondContact O-N 2.76Å; N202-A205 CarbonylContact O-C 3.56Å; N202-A205 PolarHBondContact O-N 2.73Å; N202-G206 PolarHBondContact O-N 3.33Å; N202-K207 HydrophobicContact CB-CB 4.39Å; N202-K207 HydrophobicContact CB-CD 4.35Å; N202-K207 WeakPolarHBondContact O-CB 3.44Å; N202-K207 PolarHBondContact O-N 3.43Å; N202-K207 VanDerWaalsContact OD1-CD 3.22Å; N202-K207 WeakPolarHBondContact OD1-CD 3.3Å; N202-F208 HydrophobicContact CB-CE1 3.96Å; N202-F208 HydrophobicContact CB-CE2 3.95Å; N202-F208 HydrophobicContact CB-CZ 3.48Å; N202-F208 VanDerWaalsContact CB-CZ 3.48Å
203	R	97.8	Very high	96.7	Very high	103 Å²	103	56.3 Å²	56.3	39%	0.389	30%	0.302	S	S	.	.	H	α-helix	trans	-63	-48.9	173	-174.9	-174.6	-59.5	-82.2	-2.5	111.4	V199 E200 A205 G206 F208 V213	V199-R203 WeakPolarHBondContact O-CB 3.29Å; V199-R203 PolarHBondContact O-N 3.29Å; E200-R203 WeakPolarHBondContact O-CB 3.28Å; E200-R203 PolarHBondContact O-N 2.82Å; R203-A205 PolarHBondContact O-N 2.91Å; R203-G206 PolarHBondContact O-N 3.02Å; R203-F208 HydrophobicContact CB-CD2 3.95Å; R203-F208 HydrophobicContact CB-CE2 4.01Å; R203-V213 PolarHBondContact NH2-O 3.41Å
204	Q	97.1	Very high	96.9	Very high	125 Å²	125	53.7 Å²	53.7	58%	0.584	30%	0.295	S	S	*	.	H	α-helix	trans	-60.6	-31.3	176.5	-70.8	172.6	1.8	0	0	112.5	E200 G206	E200-Q204 VanDerWaalsContact O-CG 3.3Å; E200-Q204 WeakPolarHBondContact O-CG 3.3Å; E200-Q204 PolarHBondContact O-N 2.95Å; E200-Q204 WeakPolarHBondContact OE1-CG 3.34Å; E200-Q204 PolarHBondContact OE1-NE2 2.84Å; Q204-G206 PolarHBondContact O-N 3.16Å
205	A	96.4	Very high	97.2	Very high	44 Å²	44	54.6 Å²	54.6	36%	0.364	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	3.4	173.9	0	0	0	0	0	114.1	F111 R201 N202 R203 K207	F111-A205 HydrophobicContact CD2-CB 4.15Å; F111-A205 HydrophobicContact CE2-CB 3.64Å; R201-A205 WeakPolarHBondContact O-CB 3.4Å; R201-A205 PolarHBondContact O-N 2.86Å; N202-A205 CarbonylContact O-C 3.56Å; N202-A205 PolarHBondContact O-N 2.73Å; R203-A205 PolarHBondContact O-N 2.91Å; A205-K207 VanDerWaalsContact C-N 3.26Å; A205-K207 HydrophobicContact CB-CD 4.28Å; A205-K207 HydrophobicContact CB-CG 4.11Å; A205-K207 PolarHBondContact O-N 2.91Å
206	G	97.5	Very high	97.3	Very high	57 Å²	57	58.5 Å²	58.5	59%	0.588	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.6	16.5	178.3	0	0	0	0	0	114.8	N202 R203 Q204 F208	N202-G206 PolarHBondContact O-N 3.33Å; R203-G206 PolarHBondContact O-N 3.02Å; Q204-G206 PolarHBondContact O-N 3.16Å; G206-F208 VanDerWaalsContact C-N 3.34Å; G206-F208 PolarHBondContact O-N 3.48Å
207	K	97.8	Very high	97.4	Very high	48 Å²	48	54.6 Å²	54.6	21%	0.209	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-16.4	-170.3	-71	179.4	172	-73.7	0	114.9	G109 F111 I175 N202 A205	G109-K207 WeakPolarHBondContact O-CD 3.21Å; G109-K207 WeakPolarHBondContact O-CE 3.38Å; G109-K207 PolarHBondContact O-NZ 2.99Å; F111-K207 HydrophobicContact CD2-CD 4.2Å; F111-K207 HydrophobicContact CE2-CD 4.14Å; I175-K207 HydrophobicContact CD1-CB 4.3Å; I175-K207 HydrophobicContact CG1-CB 4.11Å; N202-K207 HydrophobicContact CB-CB 4.39Å; N202-K207 HydrophobicContact CB-CD 4.35Å; N202-K207 WeakPolarHBondContact O-CB 3.44Å; N202-K207 PolarHBondContact O-N 3.43Å; N202-K207 VanDerWaalsContact OD1-CD 3.22Å; N202-K207 WeakPolarHBondContact OD1-CD 3.3Å; A205-K207 VanDerWaalsContact C-N 3.26Å; A205-K207 HydrophobicContact CB-CD 4.28Å; A205-K207 HydrophobicContact CB-CG 4.11Å; A205-K207 PolarHBondContact O-N 2.91Å
208	F	98.1	Very high	97.5	Very high	10 Å²	10	48.4 Å²	48.4	4%	0.044	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-7.1	-176.1	-58.8	-40.8	0	0	0	114.7	L171 A174 I175 V199 N202 R203 G206 S210 T211 V213	L171-F208 HydrophobicContact CD2-CE1 4.01Å; L171-F208 HydrophobicContact CD2-CZ 3.88Å; A174-F208 HydrophobicContact CB-CD1 3.85Å; A174-F208 HydrophobicContact CB-CE1 3.97Å; I175-F208 HydrophobicContact CD1-CE1 4.37Å; I175-F208 HydrophobicContact CG1-CD1 3.86Å; I175-F208 HydrophobicContact CG1-CE1 3.88Å; V199-F208 HydrophobicContact CG1-CE2 4.05Å; V199-F208 VanDerWaalsContact O-CE2 3.31Å; V199-F208 WeakPolarHBondContact O-CE2 3.36Å; N202-F208 HydrophobicContact CB-CE1 3.96Å; N202-F208 HydrophobicContact CB-CE2 3.95Å; N202-F208 HydrophobicContact CB-CZ 3.48Å; N202-F208 VanDerWaalsContact CB-CZ 3.48Å; R203-F208 HydrophobicContact CB-CD2 3.95Å; R203-F208 HydrophobicContact CB-CE2 4.01Å; G206-F208 VanDerWaalsContact C-N 3.34Å; G206-F208 PolarHBondContact O-N 3.48Å; F208-S210 PolarHBondContact O-N 2.78Å; F208-S210 VanDerWaalsContact O-N 3.12Å; F208-T211 WeakPolarHBondContact O-CB 3.45Å; F208-T211 PolarHBondContact O-N 3.18Å; F208-V213 HydrophobicContact CB-CG2 4.13Å; F208-V213 HydrophobicContact CD1-CG2 3.7Å; F208-V213 HydrophobicContact CD2-CB 4.09Å; F208-V213 HydrophobicContact CD2-CG2 3.69Å; F208-V213 HydrophobicContact CE1-CG2 3.93Å; F208-V213 HydrophobicContact CE2-CB 3.96Å; F208-V213 HydrophobicContact CE2-CG1 4.25Å; F208-V213 HydrophobicContact CE2-CG2 3.9Å; F208-V213 HydrophobicContact CG-CB 4.47Å; F208-V213 HydrophobicContact CG-CG2 3.58Å; F208-V213 HydrophobicContact CZ-CB 4.24Å; F208-V213 HydrophobicContact CZ-CG1 4.12Å; F208-V213 HydrophobicContact CZ-CG2 4.02Å
209	G	95.1	Very high	97.6	Very high	74 Å²	74	53.9 Å²	53.9	76%	0.763	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.7	-121.9	-174.2	0	0	0	0	0	111.9
210	S	95.1	Very high	97.6	Very high	115 Å²	115	54.9 Å²	54.9	80%	0.804	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-4.6	177.8	54	0	0	0	0	114.8	F208 H212	F208-S210 PolarHBondContact O-N 2.78Å; F208-S210 VanDerWaalsContact O-N 3.12Å; S210-H212 PolarHBondContact O-N 2.81Å
211	T	98.4	Very high	97.5	Very high	10 Å²	10	54.7 Å²	54.7	6%	0.061	31%	0.306	C	S	.	.			trans	-69.3	131.2	-176.3	-65.7	0	0	0	0	111.7	A174 V179 V182 F208 V213	A174-T211 HydrophobicContact CB-CG2 4.21Å; V179-T211 HydrophobicContact CG1-CG2 3.53Å; V179-T211 PolarHBondContact O-OG1 2.82Å; V182-T211 HydrophobicContact CG2-CG2 4.02Å; F208-T211 WeakPolarHBondContact O-CB 3.45Å; F208-T211 PolarHBondContact O-N 3.18Å; T211-V213 HydrophobicContact CG2-CG2 3.94Å; T211-V213 PolarHBondContact O-N 2.99Å
212	H	98.6	Very high	97.6	Very high	104 Å²	104	53 Å²	53	48%	0.481	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	105.3	173.1	-175.6	76.1	0	0	0	111.1	K180 E181 V182 S210	K180-H212 PolarHBondContact O-N 2.85Å; E181-H212 CarbonylContact C-O 3.6Å; E181-H212 WeakPolarHBondContact CA-O 3.46Å; E181-H212 HydrophobicContact CB-CB 4.1Å; V182-H212 PolarHBondContact N-O 2.96Å; S210-H212 PolarHBondContact O-N 2.81Å
213	V	98.8	Very high	97.6	Very high	3 Å²	3	58.3 Å²	58.3	2%	0.018	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	130.9	177.1	-170.5	0	0	0	0	110.8	A174 V182 L184 V199 R203 F208 T211	A174-V213 HydrophobicContact CB-CG2 3.56Å; V182-V213 WeakPolarHBondContact O-CA 3.39Å; L184-V213 HydrophobicContact CD1-CG1 4.12Å; L184-V213 HydrophobicContact CG-CG1 4.34Å; V199-V213 HydrophobicContact CG1-CB 4.22Å; V199-V213 HydrophobicContact CG1-CG1 3.96Å; V199-V213 HydrophobicContact CG2-CG1 3.88Å; R203-V213 PolarHBondContact NH2-O 3.41Å; F208-V213 HydrophobicContact CB-CG2 4.13Å; F208-V213 HydrophobicContact CD1-CG2 3.7Å; F208-V213 HydrophobicContact CD2-CB 4.09Å; F208-V213 HydrophobicContact CD2-CG2 3.69Å; F208-V213 HydrophobicContact CE1-CG2 3.93Å; F208-V213 HydrophobicContact CE2-CB 3.96Å; F208-V213 HydrophobicContact CE2-CG1 4.25Å; F208-V213 HydrophobicContact CE2-CG2 3.9Å; F208-V213 HydrophobicContact CG-CB 4.47Å; F208-V213 HydrophobicContact CG-CG2 3.58Å; F208-V213 HydrophobicContact CZ-CB 4.24Å; F208-V213 HydrophobicContact CZ-CG1 4.12Å; F208-V213 HydrophobicContact CZ-CG2 4.02Å; T211-V213 HydrophobicContact CG2-CG2 3.94Å; T211-V213 PolarHBondContact O-N 2.99Å
214	S	98.6	Very high	97.6	Very high	44 Å²	44	58.4 Å²	58.4	31%	0.308	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	165.9	173.9	68.1	0	0	0	0	111.1	V182 L183 L184	V182-S214 PolarHBondContact O-N 3.43Å; L183-S214 WeakPolarHBondContact CD1-OG 3.31Å; L184-S214 PolarHBondContact N-O 2.9Å
215	S	98.6	Very high	97.6	Very high	22 Å²	22	53.6 Å²	53.6	15%	0.154	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	137.2	177.5	61.9	0	0	0	0	112	L184 R196	L184-S215 CarbonylContact O-C 3.26Å; L184-S215 WeakPolarHBondContact O-CA 3.38Å; L184-S215 WeakPolarHBondContact O-CB 3.19Å; R196-S215 WeakPolarHBondContact CG-OG 3.32Å
216	R	98	Very high	97.7	Very high	83 Å²	83	51.7 Å²	51.7	31%	0.313	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	146	-172.4	-170.2	-176.7	168	171.4	-3.8	111.4	L183 L184 S185 I192 V218	L183-R216 HydrophobicContact CD1-CB 3.79Å; L184-R216 PolarHBondContact O-N 2.69Å; S185-R216 VanDerWaalsContact CA-O 3.28Å; S185-R216 WeakPolarHBondContact CA-O 3.31Å; S185-R216 VanDerWaalsContact CB-O 3.27Å; S185-R216 WeakPolarHBondContact CB-O 3.34Å; I192-R216 WeakPolarHBondContact CD1-O 3.3Å; R216-V218 HydrophobicContact CB-CG2 4.37Å; R216-V218 HydrophobicContact CG-CG2 4.33Å; R216-V218 PolarHBondContact O-N 3.48Å
217	V	98.3	Very high	97.7	Very high	22 Å²	22	51.5 Å²	51.5	13%	0.133	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	124.1	165.2	174.4	0	0	0	0	109.1	D186 E189 I192 R219	D186-V217 VanDerWaalsContact O-CA 3.31Å; D186-V217 WeakPolarHBondContact O-CA 3.24Å; E189-V217 HydrophobicContact CB-CG2 4.1Å; E189-V217 WeakPolarHBondContact OE2-CG2 3.39Å; I192-V217 HydrophobicContact CB-CG2 3.84Å; I192-V217 HydrophobicContact CG1-CG2 3.88Å; I192-V217 HydrophobicContact CG2-CG2 4.14Å; V217-R219 HydrophobicContact CG1-CG 4.27Å
218	V	98.1	Very high	97.7	Very high	0 Å²	0	52 Å²	52	0%	0	30%	0.304	C	S	.	.			trans	-132.5	105.2	177.5	178.9	0	0	0	0	107.4	L161 D186 R216 D225 I226 L229	L161-V218 HydrophobicContact CD2-CG1 4.09Å; D186-V218 PolarHBondContact O-N 3.2Å; R216-V218 HydrophobicContact CB-CG2 4.37Å; R216-V218 HydrophobicContact CG-CG2 4.33Å; R216-V218 PolarHBondContact O-N 3.48Å; V218-D225 HydrophobicContact CG1-CB 4.46Å; V218-I226 HydrophobicContact CG1-CD1 3.98Å; V218-L229 HydrophobicContact CG2-CD1 3.88Å
219	R	97.4	Very high	97.7	Very high	115 Å²	115	52.4 Å²	52.4	43%	0.434	31%	0.306	S	S	.	.			trans	-91.6	124.4	172.3	-65	-171.3	-60.9	160.4	2.7	109.7	V217 D221 C222 D225	V217-R219 HydrophobicContact CG1-CG 4.27Å; R219-D221 WeakPolarHBondContact CB-OD1 3.38Å; R219-D221 PolarHBondContact O-N 3.35Å; R219-C222 HydrophobicContact CB-CB 3.76Å; R219-C222 WeakPolarHBondContact O-CB 3.29Å; R219-C222 PolarHBondContact O-N 2.89Å; R219-D225 PolarHBondContact N-OD2 3.45Å
220	W	97.6	Very high	97.8	Very high	29 Å²	29	53.6 Å²	53.6	11%	0.11	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-25.5	-174.5	-46.1	-32.8	0	0	0	113	C241 C250 L251 A254	W220-C241 HydrophobicContact CH2-CB 3.65Å; W220-C241 HydrophobicContact CZ2-CB 4.2Å; W220-C241 HydrophobicContact CZ3-CB 4.5Å; W220-C250 HydrophobicContact CB-CB 3.95Å; W220-L251 HydrophobicContact CD2-CB 4.07Å; W220-L251 HydrophobicContact CD2-CD1 3.8Å; W220-L251 HydrophobicContact CD2-CG 4.48Å; W220-L251 HydrophobicContact CE3-CB 3.63Å; W220-L251 HydrophobicContact CE3-CD1 4.05Å; W220-L251 HydrophobicContact CE3-CG 4.27Å; W220-L251 HydrophobicContact CG-CD1 4.33Å; W220-L251 HydrophobicContact CH2-CD1 4.23Å; W220-L251 HydrophobicContact CH2-CD2 4.33Å; W220-L251 HydrophobicContact CZ2-CD1 3.97Å; W220-L251 HydrophobicContact CZ3-CB 4.04Å; W220-L251 HydrophobicContact CZ3-CD1 4.25Å; W220-L251 HydrophobicContact CZ3-CD2 4.17Å; W220-L251 HydrophobicContact CZ3-CG 4.38Å; W220-A254 HydrophobicContact CB-CB 4.12Å; W220-A254 HydrophobicContact CG-CB 4.42Å
221	D	96.2	Very high	98	Very high	82 Å²	82	49.8 Å²	49.8	44%	0.439	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	6.4	177.3	65.6	-27.9	0	0	0	113.3	R219 Y247 C250	R219-D221 WeakPolarHBondContact CB-OD1 3.38Å; R219-D221 PolarHBondContact O-N 3.35Å; D221-Y247 HydrophobicContact CB-CD1 4.39Å; D221-C250 HydrophobicContact CB-CB 4.18Å
222	C	97.6	Very high	98	Very high	23 Å²	23	53.1 Å²	53.1	16%	0.155	29%	0.285	C	S	.	.			trans	-109.4	111.2	-178.5	-171.2	0	0	0	0	112.1	R219 V224 D225 I226	R219-C222 HydrophobicContact CB-CB 3.76Å; R219-C222 WeakPolarHBondContact O-CB 3.29Å; R219-C222 PolarHBondContact O-N 2.89Å; C222-V224 VanDerWaalsContact C-N 3.3Å; C222-V224 PolarHBondContact O-N 3.39Å; C222-D225 HydrophobicContact CB-CB 4.13Å; C222-D225 PolarHBondContact O-N 3.23Å; C222-D225 VanDerWaalsContact O-N 3.09Å; C222-I226 PolarHBondContact O-N 3Å; C222-I226 VanDerWaalsContact O-N 3.16Å
223	E	97.7	Very high	98	Very high	112 Å²	112	48.2 Å²	48.2	52%	0.523	26%	0.263	S	S	.	.	H	α-helix	trans	-57.4	-38.9	-178.1	-176.3	54.9	-145.5	0	0	113.5	D225 I226 S227 R257	E223-D225 VanDerWaalsContact C-N 3.32Å; E223-D225 PolarHBondContact O-N 2.98Å; E223-I226 PolarHBondContact O-N 3.39Å; E223-S227 VanDerWaalsContact O-CB 3.27Å; E223-S227 WeakPolarHBondContact O-CB 3.45Å; E223-S227 PolarHBondContact O-N 2.92Å; E223-S227 PolarHBondContact O-OG 3.33Å; E223-R257 IonicContact OE1-CZ 3.44Å; E223-R257 IonicContact OE1-NH1 3.31Å; E223-R257 PolarHBondContact OE1-NH1 2.6Å; E223-R257 IonicContact OE1-NH2 2.7Å; E223-R257 PolarHBondContact OE1-NH2 3.3Å; E223-R257 IonicContact OE2-CZ 3.71Å; E223-R257 IonicContact OE2-NH1 3.66Å; E223-R257 PolarHBondContact OE2-NH1 3.36Å; E223-R257 IonicContact OE2-NH2 2.8Å
224	V	97.8	Very high	98	Very high	105 Å²	105	49.3 Å²	49.3	64%	0.636	27%	0.269	S	S	*	.	H	α-helix	trans	-65.9	-35.9	179.5	177.5	0	0	0	0	111.6	C222 A228	C222-V224 VanDerWaalsContact C-N 3.3Å; C222-V224 PolarHBondContact O-N 3.39Å; V224-A228 WeakPolarHBondContact O-CB 3.37Å
225	D	97.6	Very high	98	Very high	24 Å²	24	47.8 Å²	47.8	13%	0.128	26%	0.257	C	S	.	.	H	α-helix	trans	-71.8	-42.1	179	-69.8	-21.6	0	0	0	111.1	V218 R219 C222 E223	V218-D225 HydrophobicContact CG1-CB 4.46Å; R219-D225 PolarHBondContact N-OD2 3.45Å; C222-D225 HydrophobicContact CB-CB 4.13Å; C222-D225 PolarHBondContact O-N 3.23Å; C222-D225 VanDerWaalsContact O-N 3.09Å; E223-D225 VanDerWaalsContact C-N 3.32Å; E223-D225 PolarHBondContact O-N 2.98Å
226	I	98.4	Very high	98	Very high	3 Å²	3	46.8 Å²	46.8	2%	0.015	25%	0.25	C	S	.	.	H	α-helix	trans	-75.7	-48.1	-176.8	-59.8	-54.7	0	0	0	112.4	V218 C222 E223 A228 L229 E230 A254 R257	V218-I226 HydrophobicContact CG1-CD1 3.98Å; C222-I226 PolarHBondContact O-N 3Å; C222-I226 VanDerWaalsContact O-N 3.16Å; E223-I226 PolarHBondContact O-N 3.39Å; I226-A228 PolarHBondContact O-N 3.32Å; I226-L229 CarbonylContact O-C 3.54Å; I226-L229 PolarHBondContact O-N 3.36Å; I226-E230 PolarHBondContact O-N 3.34Å; I226-A254 HydrophobicContact CD1-CB 3.61Å; I226-A254 HydrophobicContact CG1-CB 4.41Å; I226-R257 HydrophobicContact CG2-CB 3.85Å; I226-R257 HydrophobicContact CG2-CG 4.47Å
227	S	97.9	Very high	98	Very high	54 Å²	54	42.9 Å²	42.9	38%	0.378	24%	0.236	S	C	.	.	H	α-helix	trans	-59.7	-31.9	-178.7	55.6	0	0	0	0	112.9	E223 L229 E230	E223-S227 VanDerWaalsContact O-CB 3.27Å; E223-S227 WeakPolarHBondContact O-CB 3.45Å; E223-S227 PolarHBondContact O-N 2.92Å; E223-S227 PolarHBondContact O-OG 3.33Å; S227-L229 PolarHBondContact O-N 2.84Å; S227-E230 PolarHBondContact O-N 3.13Å
228	A	97.4	Very high	98	Very high	58 Å²	58	41.8 Å²	41.8	48%	0.479	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-12.6	176.8	0	0	0	0	0	114.4	V224 I226	V224-A228 WeakPolarHBondContact O-CB 3.37Å; I226-A228 PolarHBondContact O-N 3.32Å
229	L	98.3	Very high	98	Very high	18 Å²	18	42.5 Å²	42.5	9%	0.094	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.5	9.7	-174.2	-65	175.3	0	0	0	112.3	L183 V218 I226 S227 G231 H232 F233 L258	L183-L229 HydrophobicContact CD2-CD1 3.69Å; L183-L229 HydrophobicContact CD2-CD2 4.08Å; V218-L229 HydrophobicContact CG2-CD1 3.88Å; I226-L229 CarbonylContact O-C 3.54Å; I226-L229 PolarHBondContact O-N 3.36Å; S227-L229 PolarHBondContact O-N 2.84Å; L229-G231 PolarHBondContact O-N 3.48Å; L229-H232 WeakPolarHBondContact O-CB 3.42Å; L229-H232 PolarHBondContact O-N 3.42Å; L229-F233 HydrophobicContact CB-CE2 4.08Å; L229-F233 HydrophobicContact CD1-CE2 4.38Å; L229-F233 HydrophobicContact CD2-CE2 4.26Å; L229-F233 HydrophobicContact CD2-CZ 4.24Å; L229-F233 HydrophobicContact CG-CE2 4.49Å; L229-L258 HydrophobicContact CB-CD2 3.23Å; L229-L258 HydrophobicContact CD1-CD2 4.16Å; L229-L258 HydrophobicContact CG-CD2 4.34Å; L229-L258 WeakPolarHBondContact O-CD2 3.33Å
230	E	98.1	Very high	97.8	Very high	99 Å²	99	37.5 Å²	37.5	46%	0.463	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	130	-173.2	-173.1	148.7	-147.4	0	0	111.8	I226 S227 H232 R257	I226-E230 PolarHBondContact O-N 3.34Å; S227-E230 PolarHBondContact O-N 3.13Å; E230-H232 PolarHBondContact O-N 3.17Å; E230-R257 HydrophobicContact CG-CB 4.37Å; E230-R257 IonicContact OE1-CZ 2.7Å; E230-R257 IonicContact OE1-NE 2.7Å; E230-R257 PolarHBondContact OE1-NE 3.16Å; E230-R257 IonicContact OE1-NH2 3.34Å; E230-R257 IonicContact OE2-CZ 3.6Å; E230-R257 IonicContact OE2-NE 3.55Å; E230-R257 IonicContact OE2-NH2 3.49Å; E230-R257 PolarHBondContact OE2-NH2 3.01Å
231	G	98.1	Very high	97.7	Very high	35 Å²	35	36.6 Å²	36.6	36%	0.361	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.4	11.9	178.7	0	0	0	0	0	115.6	L229 R257	L229-G231 PolarHBondContact O-N 3.48Å; G231-R257 PolarHBondContact N-O 3.3Å
232	H	98.5	Very high	97.6	Very high	80 Å²	80	32.8 Å²	32.8	37%	0.37	19%	0.194	S	C	.	.			trans	-84.8	-31.5	-169.6	-173.8	58.8	0	0	0	114.5	E181 L229 E230 L258	E181-H232 IonicContact OE1-CE1 3.89Å; E181-H232 PolarHBondContact OE1-CE1 2.88Å; E181-H232 IonicContact OE1-NE2 2.76Å; E181-H232 PolarHBondContact OE1-NE2 3.44Å; E181-H232 IonicContact OE2-NE2 2.81Å; L229-H232 WeakPolarHBondContact O-CB 3.42Å; L229-H232 PolarHBondContact O-N 3.42Å; E230-H232 PolarHBondContact O-N 3.17Å; H232-L258 PolarHBondContact N-O 3.19Å
233	F	98.7	Very high	97	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.009	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	137.2	-165	-62.7	-74.3	0	0	0	114.1	A157 C159 L183 L229 V236 L258 R260	A157-F233 HydrophobicContact CB-CD1 3.92Å; C159-F233 HydrophobicContact CB-CB 4.45Å; C159-F233 HydrophobicContact CB-CD1 3.57Å; C159-F233 HydrophobicContact CB-CD2 3.74Å; C159-F233 HydrophobicContact CB-CE1 3.59Å; C159-F233 HydrophobicContact CB-CE2 3.73Å; C159-F233 HydrophobicContact CB-CG 3.64Å; C159-F233 HydrophobicContact CB-CZ 3.67Å; L183-F233 HydrophobicContact CB-CE1 3.87Å; L183-F233 HydrophobicContact CB-CZ 3.83Å; L183-F233 HydrophobicContact CD2-CE1 4.47Å; L183-F233 HydrophobicContact CD2-CE2 4.3Å; L183-F233 HydrophobicContact CD2-CZ 3.58Å; L183-F233 HydrophobicContact CG-CZ 4.34Å; L229-F233 HydrophobicContact CB-CE2 4.08Å; L229-F233 HydrophobicContact CD1-CE2 4.38Å; L229-F233 HydrophobicContact CD2-CE2 4.26Å; L229-F233 HydrophobicContact CD2-CZ 4.24Å; L229-F233 HydrophobicContact CG-CE2 4.49Å; F233-V236 HydrophobicContact CB-CG2 3.8Å; F233-V236 HydrophobicContact CD2-CG2 4.45Å; F233-V236 HydrophobicContact CG-CG2 4.37Å; F233-L258 HydrophobicContact CD2-CB 4.07Å; F233-L258 HydrophobicContact CD2-CD2 4.37Å; F233-L258 HydrophobicContact CE2-CD2 4.21Å; F233-L258 PolarHBondContact N-O 3.03Å; F233-R260 WeakPolarHBondContact O-CG 3.44Å; F233-R260 PolarHBondContact O-N 3.24Å
234	D	98.6	Very high	96.4	Very high	26 Å²	26	31.2 Å²	31.2	14%	0.139	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	-35.1	172.1	-55.8	-39.1	0	0	0	111	G156 A157 R260 G263 M264	G156-D234 WeakPolarHBondContact CA-OD2 3.28Å; A157-D234 PolarHBondContact N-OD2 3.18Å; A157-D234 WeakPolarHBondContact O-CB 3.29Å; A157-D234 PolarHBondContact O-N 3.29Å; D234-R260 VanDerWaalsContact CG-CZ 3.46Å; D234-R260 VanDerWaalsContact CG-NH1 3.33Å; D234-R260 WeakPolarHBondContact OD1-CD 3.08Å; D234-R260 IonicContact OD1-CZ 2.89Å; D234-R260 IonicContact OD1-NE 3.32Å; D234-R260 PolarHBondContact OD1-NE 3.04Å; D234-R260 IonicContact OD1-NH1 3.76Å; D234-R260 PolarHBondContact OD1-NH1 3.01Å; D234-R260 IonicContact OD1-NH2 2.72Å; D234-R260 IonicContact OD2-NH1 3.39Å; D234-G263 VanDerWaalsContact O-CA 3.28Å; D234-G263 WeakPolarHBondContact O-CA 3.36Å; D234-M264 PolarHBondContact O-N 3.36Å
235	T	98.8	Very high	95.8	Very high	11 Å²	11	31.6 Å²	31.6	7%	0.067	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	131	172.5	-54.6	0	0	0	0	111.4	F154 A157 V158 C159 M264 L266	F154-T235 HydrophobicContact CD1-CG2 4.25Å; F154-T235 HydrophobicContact CE1-CG2 3.94Å; A157-T235 PolarHBondContact O-N 3.07Å; V158-T235 CarbonylContact C-O 3.51Å; V158-T235 VanDerWaalsContact CA-O 3.29Å; V158-T235 WeakPolarHBondContact CA-O 3.29Å; C159-T235 PolarHBondContact N-O 2.89Å; T235-M264 WeakPolarHBondContact CA-O 3.17Å; T235-L266 HydrophobicContact CG2-CD1 4.29Å; T235-L266 HydrophobicContact CG2-CG 4.31Å
236	V	98.9	Very high	95.4	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.006	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	135.1	168.2	175.4	0	0	0	0	107.6	C159 L161 F233 I255 L258 L259 M264 A265 L266	C159-V236 HydrophobicContact CB-CG2 4.34Å; C159-V236 CarbonylContact O-C 3.58Å; C159-V236 WeakPolarHBondContact O-CA 3.42Å; L161-V236 HydrophobicContact CD1-CG1 3.54Å; L161-V236 HydrophobicContact CG-CG1 3.94Å; F233-V236 HydrophobicContact CB-CG2 3.8Å; F233-V236 HydrophobicContact CD2-CG2 4.45Å; F233-V236 HydrophobicContact CG-CG2 4.37Å; V236-I255 HydrophobicContact CG1-CG1 4.1Å; V236-L258 HydrophobicContact CG2-CB 3.96Å; V236-L259 HydrophobicContact CB-CD2 4Å; V236-L259 HydrophobicContact CB-CG 4.36Å; V236-L259 HydrophobicContact CG2-CD2 3.69Å; V236-L259 HydrophobicContact CG2-CG 3.97Å; V236-M264 PolarHBondContact N-O 3.5Å; V236-A265 HydrophobicContact CB-CB 4.23Å; V236-A265 CarbonylContact O-C 3.59Å; V236-A265 WeakPolarHBondContact O-CA 3.26Å; V236-A265 WeakPolarHBondContact O-CB 3.28Å; V236-L266 PolarHBondContact O-N 3.04Å
237	M	98.8	Very high	95.1	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.005	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	151.2	179.5	63.1	-168.1	169.6	0	0	112.1	M143 F154 V158 C159 E160 L161 V173 L266	M143-M237 HydrophobicContact CE-CG 4.41Å; M143-M237 HydrophobicContact SD-CB 3.92Å; M143-M237 HydrophobicContact SD-CG 4.13Å; M143-M237 HydrophobicContact SD-SD 4.48Å; F154-M237 HydrophobicContact CE1-SD 4.41Å; V158-M237 HydrophobicContact CG1-CE 3.61Å; V158-M237 HydrophobicContact CG1-SD 4.3Å; C159-M237 PolarHBondContact O-N 2.86Å; E160-M237 CarbonylContact C-O 3.54Å; E160-M237 WeakPolarHBondContact CA-O 3.24Å; E160-M237 HydrophobicContact CB-CE 4.08Å; E160-M237 HydrophobicContact CB-CG 4.24Å; E160-M237 HydrophobicContact CG-CG 4.37Å; L161-M237 PolarHBondContact N-O 3.5Å; V173-M237 HydrophobicContact CB-CE 4.43Å; V173-M237 HydrophobicContact CG2-CE 3.86Å; V173-M237 HydrophobicContact CG2-SD 4.31Å; M237-L266 WeakPolarHBondContact CA-O 3.18Å; M237-L266 HydrophobicContact CB-CB 4.12Å; M237-L266 WeakPolarHBondContact CB-O 3.45Å
238	C	98.5	Very high	95	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	153.6	172.8	65.1	0	0	0	0	111	M143 L161 C241 L266 V267 F268	M143-C238 VanDerWaalsContact SD-C 3.6Å; L161-C238 HydrophobicContact CB-CB 4.19Å; L161-C238 WeakPolarHBondContact O-CB 3.17Å; C238-C241 HydrophobicContact CB-CB 4.32Å; C238-L266 PolarHBondContact N-O 3.23Å; C238-L266 VanDerWaalsContact N-O 3.09Å; C238-V267 WeakPolarHBondContact O-CA 3.41Å; C238-F268 PolarHBondContact O-N 3.15Å
239	A	97.7	Very high	95	Very high	14 Å²	14	36.8 Å²	36.8	12%	0.116	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	128.9	179.3	0	0	0	0	0	110.7	E140 M143 C241 F268	E140-A239 HydrophobicContact CB-CB 4.04Å; M143-A239 HydrophobicContact CB-CB 4.35Å; M143-A239 HydrophobicContact CE-CB 3.68Å; M143-A239 HydrophobicContact SD-CB 3.98Å; A239-C241 PolarHBondContact O-N 3.05Å; A239-C241 PolarHBondContact O-SG 3.39Å; A239-F268 CarbonylContact C-O 3.54Å; A239-F268 VanDerWaalsContact CA-O 3.29Å; A239-F268 WeakPolarHBondContact CA-O 3.23Å
240	D	93.5	Very high	95	Very high	11 Å²	11	37.7 Å²	37.7	6%	0.059	21%	0.206	C	C	.	.	S	Bend	trans	56.6	27.4	176.1	-147.9	5	0	0	0	115.4	L242 F243 F268 P270 R272	D240-L242 VanDerWaalsContact C-N 3.33Å; D240-L242 PolarHBondContact O-N 3.42Å; D240-F243 WeakPolarHBondContact O-CD1 3.48Å; D240-F243 WeakPolarHBondContact O-CE1 3.04Å; D240-F268 PolarHBondContact N-O 3.26Å; D240-P270 WeakPolarHBondContact OD1-CD 3.43Å; D240-R272 IonicContact OD1-CZ 3.79Å; D240-R272 IonicContact OD1-NE 2.73Å; D240-R272 PolarHBondContact OD1-NE 2.86Å; D240-R272 IonicContact OD1-NH2 3.4Å; D240-R272 PolarHBondContact OD1-NH2 2.92Å; D240-R272 IonicContact OD2-CZ 3.69Å; D240-R272 IonicContact OD2-NE 2.78Å; D240-R272 IonicContact OD2-NH2 2.74Å; D240-R272 PolarHBondContact OD2-NH2 3.47Å
241	C	94.5	Very high	95.1	Very high	10 Å²	10	33 Å²	33	7%	0.068	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-84.5	2.9	-176.8	-69.3	0	0	0	0	115.1	W220 C238 A239 L251	W220-C241 HydrophobicContact CH2-CB 3.65Å; W220-C241 HydrophobicContact CZ2-CB 4.2Å; W220-C241 HydrophobicContact CZ3-CB 4.5Å; C238-C241 HydrophobicContact CB-CB 4.32Å; A239-C241 PolarHBondContact O-N 3.05Å; A239-C241 PolarHBondContact O-SG 3.39Å; C241-L251 HydrophobicContact CB-CD2 3.78Å
242	L	93.3	Very high	95.1	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.01	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-90.8	-10.5	-163.2	-52.3	-169.5	0	0	0	115	D240 L244 R248 L251 V267 A269 L276 F279	D240-L242 VanDerWaalsContact C-N 3.33Å; D240-L242 PolarHBondContact O-N 3.42Å; L242-L244 PolarHBondContact O-N 2.84Å; L242-R248 PolarHBondContact O-NE 3.07Å; L242-R248 PolarHBondContact O-NH2 3.25Å; L242-L251 HydrophobicContact CD2-CD2 3.79Å; L242-V267 HydrophobicContact CD1-CG1 4.12Å; L242-V267 HydrophobicContact CD2-CG1 4.03Å; L242-V267 HydrophobicContact CG-CG1 4.31Å; L242-A269 HydrophobicContact CB-CB 4.44Å; L242-A269 HydrophobicContact CD1-CB 3.51Å; L242-A269 HydrophobicContact CG-CB 3.72Å; L242-L276 HydrophobicContact CD1-CB 4.15Å; L242-L276 HydrophobicContact CD1-CD1 4.33Å; L242-L276 HydrophobicContact CD1-CG 4.1Å; L242-F279 HydrophobicContact CD1-CB 4Å; L242-F279 HydrophobicContact CD1-CD1 3.91Å; L242-F279 HydrophobicContact CD1-CG 3.97Å; L242-F279 HydrophobicContact CD2-CB 4.13Å; L242-F279 HydrophobicContact CD2-CD1 3.98Å; L242-F279 HydrophobicContact CD2-CD2 3.51Å; L242-F279 HydrophobicContact CD2-CE1 4.26Å; L242-F279 HydrophobicContact CD2-CE2 3.81Å; L242-F279 HydrophobicContact CD2-CG 3.59Å; L242-F279 HydrophobicContact CD2-CZ 4.18Å; L242-F279 HydrophobicContact CG-CB 4.5Å; L242-F279 HydrophobicContact CG-CG 4.35Å
243	F	85.9	Confident	95.1	Very high	64 Å²	64	30.2 Å²	30.2	28%	0.281	16%	0.164	S	C	.	.	G	3₁₀ helix	trans	-81.8	-10.3	-172.5	65.2	-96.6	0	0	0	114.2	D129 D240 D245	D129-F243 WeakPolarHBondContact OD2-CZ 3.48Å; D240-F243 WeakPolarHBondContact O-CD1 3.48Å; D240-F243 WeakPolarHBondContact O-CE1 3.04Å; F243-D245 PolarHBondContact O-N 3.46Å
244	L	85.4	Confident	95.1	Very high	38 Å²	38	30.1 Å²	30.1	20%	0.199	16%	0.164	C	C	.	.			trans	-87.4	92.8	179.9	-64	171.7	0	0	0	110.6	L242 Q246 Y247 R248	L242-L244 PolarHBondContact O-N 2.84Å; L244-Q246 VanDerWaalsContact C-N 3.27Å; L244-Q246 PolarHBondContact O-N 3.47Å; L244-Y247 HydrophobicContact CB-CD2 4.05Å; L244-Y247 HydrophobicContact CD1-CD2 4.05Å; L244-Y247 PolarHBondContact O-N 3.46Å; L244-R248 PolarHBondContact O-N 2.96Å; L244-R248 VanDerWaalsContact O-N 3.15Å
245	D	84.3	Confident	95.1	Very high	113 Å²	113	29 Å²	29	60%	0.604	16%	0.157	S	C	*	.	G	3₁₀ helix	trans	-50.9	-45	-176.4	-75.7	-28.8	0	0	0	113.5	F243 Y247 R248	F243-D245 PolarHBondContact O-N 3.46Å; D245-Y247 PolarHBondContact O-N 2.91Å; D245-R248 IonicContact OD1-CZ 3.9Å; D245-R248 IonicContact OD1-NH1 3.33Å; D245-R248 PolarHBondContact OD1-NH1 2.58Å; D245-R248 IonicContact OD1-NH2 3.84Å; D245-R248 PolarHBondContact OD1-NH2 2.59Å
246	Q	89.4	Confident	95.1	Very high	135 Å²	135	32.5 Å²	32.5	63%	0.631	17%	0.169	S	C	*	.	G	3₁₀ helix	trans	-65.3	-23.5	-177.1	67	-174.4	-6	0	0	114.2	L244	L244-Q246 VanDerWaalsContact C-N 3.27Å; L244-Q246 PolarHBondContact O-N 3.47Å
247	Y	93.3	Very high	95.1	Very high	40 Å²	40	33.5 Å²	33.5	16%	0.157	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-112.2	-3.2	-175	-57.7	-53.1	0	0	0	113.7	D221 L244 D245 A249 C250 L251	D221-Y247 HydrophobicContact CB-CD1 4.39Å; L244-Y247 HydrophobicContact CB-CD2 4.05Å; L244-Y247 HydrophobicContact CD1-CD2 4.05Å; L244-Y247 PolarHBondContact O-N 3.46Å; D245-Y247 PolarHBondContact O-N 2.91Å; Y247-A249 VanDerWaalsContact C-N 3.35Å; Y247-A249 PolarHBondContact O-N 3.32Å; Y247-C250 WeakPolarHBondContact O-CB 2.97Å; Y247-C250 PolarHBondContact O-N 3.21Å; Y247-C250 VanDerWaalsContact O-N 3.13Å; Y247-L251 PolarHBondContact O-N 2.76Å
248	R	95.8	Very high	95.1	Very high	15 Å²	15	33.4 Å²	33.4	6%	0.057	17%	0.173	C	C	.	.	H	α-helix	trans	-58.5	-43.8	-175.3	-172.4	-177.6	-65	109.1	7.7	113	L242 L244 D245 L251 V252 F279 L282	L242-R248 PolarHBondContact O-NE 3.07Å; L242-R248 PolarHBondContact O-NH2 3.25Å; L244-R248 PolarHBondContact O-N 2.96Å; L244-R248 VanDerWaalsContact O-N 3.15Å; D245-R248 IonicContact OD1-CZ 3.9Å; D245-R248 IonicContact OD1-NH1 3.33Å; D245-R248 PolarHBondContact OD1-NH1 2.58Å; D245-R248 IonicContact OD1-NH2 3.84Å; D245-R248 PolarHBondContact OD1-NH2 2.59Å; R248-L251 PolarHBondContact O-N 3.38Å; R248-V252 PolarHBondContact O-N 3.4Å; R248-F279 HydrophobicContact CG-CB 4.2Å; R248-F279 HydrophobicContact CG-CD2 4.22Å; R248-L282 HydrophobicContact CB-CD1 4.31Å; R248-L282 HydrophobicContact CG-CD1 3.74Å
249	A	97.6	Very high	95.1	Very high	58 Å²	58	33.4 Å²	33.4	48%	0.479	17%	0.173	S	C	.	.	H	α-helix	trans	-66.6	-40.9	177.4	0	0	0	0	0	111.6	Y247 L251 V252 D253	Y247-A249 VanDerWaalsContact C-N 3.35Å; Y247-A249 PolarHBondContact O-N 3.32Å; A249-L251 VanDerWaalsContact C-N 3.35Å; A249-L251 PolarHBondContact O-N 3.08Å; A249-V252 PolarHBondContact O-N 2.7Å; A249-D253 PolarHBondContact O-N 2.8Å
250	C	98.2	Very high	95	Very high	37 Å²	37	37.7 Å²	37.7	25%	0.25	19%	0.186	C	C	.	.	H	α-helix	trans	-62.8	-39.5	175.4	-59.3	0	0	0	0	112.1	W220 D221 Y247 D253 A254	W220-C250 HydrophobicContact CB-CB 3.95Å; D221-C250 HydrophobicContact CB-CB 4.18Å; Y247-C250 WeakPolarHBondContact O-CB 2.97Å; Y247-C250 PolarHBondContact O-N 3.21Å; Y247-C250 VanDerWaalsContact O-N 3.13Å; C250-D253 PolarHBondContact O-N 3.12Å; C250-A254 VanDerWaalsContact O-CB 3.3Å; C250-A254 WeakPolarHBondContact O-CB 3.21Å; C250-A254 PolarHBondContact O-N 3.39Å
251	L	98.6	Very high	95.1	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-61.8	-44.8	174.9	177.9	59.7	0	0	0	111.8	L161 W220 C241 L242 Y247 R248 A249 D253 A254 I255 F279	L161-L251 HydrophobicContact CD1-CD1 4.1Å; W220-L251 HydrophobicContact CD2-CB 4.07Å; W220-L251 HydrophobicContact CD2-CD1 3.8Å; W220-L251 HydrophobicContact CD2-CG 4.48Å; W220-L251 HydrophobicContact CE3-CB 3.63Å; W220-L251 HydrophobicContact CE3-CD1 4.05Å; W220-L251 HydrophobicContact CE3-CG 4.27Å; W220-L251 HydrophobicContact CG-CD1 4.33Å; W220-L251 HydrophobicContact CH2-CD1 4.23Å; W220-L251 HydrophobicContact CH2-CD2 4.33Å; W220-L251 HydrophobicContact CZ2-CD1 3.97Å; W220-L251 HydrophobicContact CZ3-CB 4.04Å; W220-L251 HydrophobicContact CZ3-CD1 4.25Å; W220-L251 HydrophobicContact CZ3-CD2 4.17Å; W220-L251 HydrophobicContact CZ3-CG 4.38Å; C241-L251 HydrophobicContact CB-CD2 3.78Å; L242-L251 HydrophobicContact CD2-CD2 3.79Å; Y247-L251 PolarHBondContact O-N 2.76Å; R248-L251 PolarHBondContact O-N 3.38Å; A249-L251 VanDerWaalsContact C-N 3.35Å; A249-L251 PolarHBondContact O-N 3.08Å; L251-D253 VanDerWaalsContact C-N 3.33Å; L251-A254 PolarHBondContact O-N 2.84Å; L251-I255 HydrophobicContact CD1-CD1 3.99Å; L251-I255 HydrophobicContact CD1-CG1 4.22Å; L251-I255 HydrophobicContact CG-CD1 4.01Å; L251-I255 WeakPolarHBondContact O-CG1 3.35Å; L251-I255 PolarHBondContact O-N 3.41Å; L251-F279 HydrophobicContact CD2-CD2 4.48Å; L251-F279 HydrophobicContact CD2-CE2 4.01Å; L251-F279 HydrophobicContact CG-CE2 4.14Å
252	V	98.7	Very high	95.1	Very high	4 Å²	4	47.5 Å²	47.5	2%	0.024	24%	0.242	C	C	.	.	H	α-helix	trans	-59.4	-47	175.8	167.7	0	0	0	0	110.6	R248 A249 I255 R256 F279 L282 A283 A286	R248-V252 PolarHBondContact O-N 3.4Å; A249-V252 PolarHBondContact O-N 2.7Å; V252-I255 PolarHBondContact O-N 3.18Å; V252-R256 WeakPolarHBondContact O-CB 3.46Å; V252-R256 PolarHBondContact O-N 3.34Å; V252-F279 HydrophobicContact CG2-CD2 3.57Å; V252-F279 HydrophobicContact CG2-CE2 3.44Å; V252-F279 VanDerWaalsContact CG2-CE2 3.44Å; V252-F279 HydrophobicContact CG2-CZ 4.29Å; V252-L282 HydrophobicContact CG2-CB 3.95Å; V252-A283 HydrophobicContact CG1-CB 4.29Å; V252-A283 HydrophobicContact CG2-CB 4.32Å; V252-A286 HydrophobicContact CG1-CB 3.58Å
253	D	98.5	Very high	95.3	Very high	53 Å²	53	47.5 Å²	47.5	28%	0.283	24%	0.243	S	C	.	.	H	α-helix	trans	-63.8	-43.8	179.1	-170.3	60.1	0	0	0	112	A249 C250 L251 I255 R256 R257	A249-D253 PolarHBondContact O-N 2.8Å; C250-D253 PolarHBondContact O-N 3.12Å; L251-D253 VanDerWaalsContact C-N 3.33Å; D253-I255 PolarHBondContact O-N 3Å; D253-R256 PolarHBondContact O-N 3.36Å; D253-R256 IonicContact OD1-CZ 3.65Å; D253-R256 IonicContact OD1-NE 3.79Å; D253-R256 PolarHBondContact OD1-NE 3.22Å; D253-R256 IonicContact OD1-NH2 2.89Å; D253-R256 PolarHBondContact OD1-NH2 3.14Å; D253-R257 WeakPolarHBondContact O-CB 3.43Å; D253-R257 WeakPolarHBondContact O-CG 3.32Å; D253-R257 PolarHBondContact O-N 3.2Å; D253-R257 WeakPolarHBondContact OD2-CD 3.45Å; D253-R257 IonicContact OD2-NH1 3.15Å
254	A	98.7	Very high	95.9	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-56.7	-52.4	174.7	0	0	0	0	0	111.1	W220 I226 C250 L251 R256 R257 L258	W220-A254 HydrophobicContact CB-CB 4.12Å; W220-A254 HydrophobicContact CG-CB 4.42Å; I226-A254 HydrophobicContact CD1-CB 3.61Å; I226-A254 HydrophobicContact CG1-CB 4.41Å; C250-A254 VanDerWaalsContact O-CB 3.3Å; C250-A254 WeakPolarHBondContact O-CB 3.21Å; C250-A254 PolarHBondContact O-N 3.39Å; L251-A254 PolarHBondContact O-N 2.84Å; A254-R256 VanDerWaalsContact C-N 3.32Å; A254-R256 PolarHBondContact O-N 2.95Å; A254-R257 PolarHBondContact O-N 3.41Å; A254-L258 HydrophobicContact CB-CD1 4.39Å; A254-L258 WeakPolarHBondContact O-CB 3.05Å; A254-L258 WeakPolarHBondContact O-CD1 3.48Å; A254-L258 WeakPolarHBondContact O-CG 3.3Å; A254-L258 PolarHBondContact O-N 2.9Å
255	I	98.8	Very high	96.5	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.005	24%	0.238	C	C	.	.	H	α-helix	trans	-55.7	-48.3	177.1	-70.3	167	0	0	0	110.8	L161 V236 L251 V252 D253 R257 L259 A265 V267 F279 L288 L327	L161-I255 HydrophobicContact CD1-CG1 3.95Å; V236-I255 HydrophobicContact CG1-CG1 4.1Å; L251-I255 HydrophobicContact CD1-CD1 3.99Å; L251-I255 HydrophobicContact CD1-CG1 4.22Å; L251-I255 HydrophobicContact CG-CD1 4.01Å; L251-I255 WeakPolarHBondContact O-CG1 3.35Å; L251-I255 PolarHBondContact O-N 3.41Å; V252-I255 PolarHBondContact O-N 3.18Å; D253-I255 PolarHBondContact O-N 3Å; I255-R257 PolarHBondContact O-N 3.25Å; I255-L259 HydrophobicContact CG2-CD1 3.86Å; I255-L259 HydrophobicContact CG2-CG 4.46Å; I255-L259 WeakPolarHBondContact O-CB 3.48Å; I255-L259 VanDerWaalsContact O-CG 3.22Å; I255-L259 WeakPolarHBondContact O-CG 3.43Å; I255-L259 PolarHBondContact O-N 3.49Å; I255-A265 HydrophobicContact CG2-CB 3.49Å; I255-A265 VanDerWaalsContact CG2-CB 3.49Å; I255-V267 HydrophobicContact CD1-CG2 4.22Å; I255-F279 HydrophobicContact CD1-CE2 4.23Å; I255-F279 HydrophobicContact CD1-CZ 3.89Å; I255-L288 HydrophobicContact CG2-CD1 4.45Å; I255-L327 HydrophobicContact CD1-CD1 4.25Å; I255-L327 HydrophobicContact CG2-CD1 4.03Å
256	R	98.4	Very high	97.2	Very high	86 Å²	86	41.3 Å²	41.3	33%	0.325	21%	0.211	S	C	.	.	H	α-helix	trans	-59.4	-43.8	-179.5	-177	-169.6	66.9	81.1	1.5	112.3	V252 D253 A254 A286 L288 K329	V252-R256 WeakPolarHBondContact O-CB 3.46Å; V252-R256 PolarHBondContact O-N 3.34Å; D253-R256 PolarHBondContact O-N 3.36Å; D253-R256 IonicContact OD1-CZ 3.65Å; D253-R256 IonicContact OD1-NE 3.79Å; D253-R256 PolarHBondContact OD1-NE 3.22Å; D253-R256 IonicContact OD1-NH2 2.89Å; D253-R256 PolarHBondContact OD1-NH2 3.14Å; A254-R256 VanDerWaalsContact C-N 3.32Å; A254-R256 PolarHBondContact O-N 2.95Å; R256-A286 WeakPolarHBondContact CD-O 3.28Å; R256-L288 HydrophobicContact CB-CD1 4.27Å; R256-L288 HydrophobicContact CB-CD2 4.28Å; R256-L288 HydrophobicContact CB-CG 4.45Å; R256-L288 HydrophobicContact CG-CD2 4.2Å; R256-K329 WeakPolarHBondContact O-CE 3.43Å; R256-K329 PolarHBondContact O-NZ 3.15Å; R256-K329 VanDerWaalsContact O-NZ 3.13Å
257	R	98.5	Very high	97.7	Very high	21 Å²	21	34.9 Å²	34.9	8%	0.079	18%	0.181	C	C	.	.	H	α-helix	trans	-76.2	-42.3	-176.7	-70.1	178.5	66.9	-170.7	-0.4	112.3	E223 I226 E230 G231 D253 A254 I255 L259	E223-R257 IonicContact OE1-CZ 3.44Å; E223-R257 IonicContact OE1-NH1 3.31Å; E223-R257 PolarHBondContact OE1-NH1 2.6Å; E223-R257 IonicContact OE1-NH2 2.7Å; E223-R257 PolarHBondContact OE1-NH2 3.3Å; E223-R257 IonicContact OE2-CZ 3.71Å; E223-R257 IonicContact OE2-NH1 3.66Å; E223-R257 PolarHBondContact OE2-NH1 3.36Å; E223-R257 IonicContact OE2-NH2 2.8Å; I226-R257 HydrophobicContact CG2-CB 3.85Å; I226-R257 HydrophobicContact CG2-CG 4.47Å; E230-R257 HydrophobicContact CG-CB 4.37Å; E230-R257 IonicContact OE1-CZ 2.7Å; E230-R257 IonicContact OE1-NE 2.7Å; E230-R257 PolarHBondContact OE1-NE 3.16Å; E230-R257 IonicContact OE1-NH2 3.34Å; E230-R257 IonicContact OE2-CZ 3.6Å; E230-R257 IonicContact OE2-NE 3.55Å; E230-R257 IonicContact OE2-NH2 3.49Å; E230-R257 PolarHBondContact OE2-NH2 3.01Å; G231-R257 PolarHBondContact N-O 3.3Å; D253-R257 WeakPolarHBondContact O-CB 3.43Å; D253-R257 WeakPolarHBondContact O-CG 3.32Å; D253-R257 PolarHBondContact O-N 3.2Å; D253-R257 WeakPolarHBondContact OD2-CD 3.45Å; D253-R257 IonicContact OD2-NH1 3.15Å; A254-R257 PolarHBondContact O-N 3.41Å; I255-R257 PolarHBondContact O-N 3.25Å; R257-L259 VanDerWaalsContact C-N 3.31Å; R257-L259 PolarHBondContact O-N 2.88Å
258	L	98.7	Very high	97.9	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-66.2	-32.1	-178.8	-68.1	175.8	0	0	0	113	L161 L229 H232 F233 V236 A254	L161-L258 HydrophobicContact CD1-CD1 3.95Å; L161-L258 HydrophobicContact CD2-CD1 3.77Å; L161-L258 HydrophobicContact CG-CD1 4.29Å; L229-L258 HydrophobicContact CB-CD2 3.23Å; L229-L258 HydrophobicContact CD1-CD2 4.16Å; L229-L258 HydrophobicContact CG-CD2 4.34Å; L229-L258 WeakPolarHBondContact O-CD2 3.33Å; H232-L258 PolarHBondContact N-O 3.19Å; F233-L258 HydrophobicContact CD2-CB 4.07Å; F233-L258 HydrophobicContact CD2-CD2 4.37Å; F233-L258 HydrophobicContact CE2-CD2 4.21Å; F233-L258 PolarHBondContact N-O 3.03Å; V236-L258 HydrophobicContact CG2-CB 3.96Å; A254-L258 HydrophobicContact CB-CD1 4.39Å; A254-L258 WeakPolarHBondContact O-CB 3.05Å; A254-L258 WeakPolarHBondContact O-CD1 3.48Å; A254-L258 WeakPolarHBondContact O-CG 3.3Å; A254-L258 PolarHBondContact O-N 2.9Å
259	L	98.6	Very high	98	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	137.8	177.7	-74.6	172.7	0	0	0	112.2	V236 I255 R257 M264 A265 K329	V236-L259 HydrophobicContact CB-CD2 4Å; V236-L259 HydrophobicContact CB-CG 4.36Å; V236-L259 HydrophobicContact CG2-CD2 3.69Å; V236-L259 HydrophobicContact CG2-CG 3.97Å; I255-L259 HydrophobicContact CG2-CD1 3.86Å; I255-L259 HydrophobicContact CG2-CG 4.46Å; I255-L259 WeakPolarHBondContact O-CB 3.48Å; I255-L259 VanDerWaalsContact O-CG 3.22Å; I255-L259 WeakPolarHBondContact O-CG 3.43Å; I255-L259 PolarHBondContact O-N 3.49Å; R257-L259 VanDerWaalsContact C-N 3.31Å; R257-L259 PolarHBondContact O-N 2.88Å; L259-M264 WeakPolarHBondContact CD2-O 3.48Å; L259-A265 HydrophobicContact CD1-CB 3.95Å; L259-K329 WeakPolarHBondContact O-CE 3.22Å; L259-K329 PolarHBondContact O-NZ 3.21Å
260	R	96.9	Very high	98	Very high	104 Å²	104	29.6 Å²	29.6	39%	0.392	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	167.9	162.8	74.3	164.7	179.1	-165.3	2.4	111.3	F233 D234 N262 G263	F233-R260 WeakPolarHBondContact O-CG 3.44Å; F233-R260 PolarHBondContact O-N 3.24Å; D234-R260 VanDerWaalsContact CG-CZ 3.46Å; D234-R260 VanDerWaalsContact CG-NH1 3.33Å; D234-R260 WeakPolarHBondContact OD1-CD 3.08Å; D234-R260 IonicContact OD1-CZ 2.89Å; D234-R260 IonicContact OD1-NE 3.32Å; D234-R260 PolarHBondContact OD1-NE 3.04Å; D234-R260 IonicContact OD1-NH1 3.76Å; D234-R260 PolarHBondContact OD1-NH1 3.01Å; D234-R260 IonicContact OD1-NH2 2.72Å; D234-R260 IonicContact OD2-NH1 3.39Å; R260-N262 VanDerWaalsContact C-N 3.31Å; R260-N262 PolarHBondContact O-N 3.35Å; R260-G263 PolarHBondContact O-N 3.39Å
261	P	95.3	Very high	97.9	Very high	86 Å²	86	28.5 Å²	28.5	56%	0.558	14%	0.144	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-48.9	-45.4	177.9	-31.7	38.4	0	0	0	115
262	N	94.8	Very high	97.6	Very high	141 Å²	141	31.2 Å²	31.2	75%	0.754	16%	0.155	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-103.6	27.4	179.9	-58.4	-31.9	0	0	0	112.2	R260	R260-N262 VanDerWaalsContact C-N 3.31Å; R260-N262 PolarHBondContact O-N 3.35Å
263	G	97.3	Very high	97.4	Very high	2 Å²	2	33.3 Å²	33.3	2%	0.021	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	160.4	177.9	0	0	0	0	0	111.4	D234 R260	D234-G263 VanDerWaalsContact O-CA 3.28Å; D234-G263 WeakPolarHBondContact O-CA 3.36Å; R260-G263 PolarHBondContact O-N 3.39Å
264	M	98.3	Very high	97.2	Very high	76 Å²	76	37.3 Å²	37.3	37%	0.374	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	138.9	175.1	174.2	170	41.6	0	0	110.1	D234 T235 V236 L259 L266 L327 T328	D234-M264 PolarHBondContact O-N 3.36Å; T235-M264 WeakPolarHBondContact CA-O 3.17Å; V236-M264 PolarHBondContact N-O 3.5Å; L259-M264 WeakPolarHBondContact CD2-O 3.48Å; M264-L266 HydrophobicContact CG-CD2 4.19Å; M264-L266 HydrophobicContact SD-CD2 4.12Å; M264-L327 CarbonylContact C-O 3.52Å; M264-L327 WeakPolarHBondContact CA-O 3.03Å; M264-T328 HydrophobicContact CB-CG2 4.28Å; M264-T328 HydrophobicContact CG-CG2 4.38Å
265	A	98.8	Very high	97.1	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.008	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	143.9	167.3	0	0	0	0	0	112.7	V236 I255 L259 T326 L327	V236-A265 HydrophobicContact CB-CB 4.23Å; V236-A265 CarbonylContact O-C 3.59Å; V236-A265 WeakPolarHBondContact O-CA 3.26Å; V236-A265 WeakPolarHBondContact O-CB 3.28Å; I255-A265 HydrophobicContact CG2-CB 3.49Å; I255-A265 VanDerWaalsContact CG2-CB 3.49Å; L259-A265 HydrophobicContact CD1-CB 3.95Å; A265-T326 WeakPolarHBondContact O-CA 3.37Å; A265-L327 HydrophobicContact CB-CB 4.01Å; A265-L327 HydrophobicContact CB-CD1 4.26Å; A265-L327 PolarHBondContact N-O 3.3Å; A265-L327 PolarHBondContact O-N 2.99Å
266	L	98.8	Very high	97	Very high	7 Å²	7	38.4 Å²	38.4	4%	0.037	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	115.2	176.5	-54.8	178.4	0	0	0	108.7	Y146 F154 T235 V236 M237 C238 M264 F268 L324 T326	Y146-L266 HydrophobicContact CE1-CD1 4.21Å; F154-L266 HydrophobicContact CE1-CD1 4.01Å; F154-L266 HydrophobicContact CZ-CD1 3.86Å; T235-L266 HydrophobicContact CG2-CD1 4.29Å; T235-L266 HydrophobicContact CG2-CG 4.31Å; V236-L266 PolarHBondContact O-N 3.04Å; M237-L266 WeakPolarHBondContact CA-O 3.18Å; M237-L266 HydrophobicContact CB-CB 4.12Å; M237-L266 WeakPolarHBondContact CB-O 3.45Å; C238-L266 PolarHBondContact N-O 3.23Å; C238-L266 VanDerWaalsContact N-O 3.09Å; M264-L266 HydrophobicContact CG-CD2 4.19Å; M264-L266 HydrophobicContact SD-CD2 4.12Å; L266-F268 HydrophobicContact CB-CE2 4.24Å; L266-L324 HydrophobicContact CB-CD1 4.41Å; L266-L324 HydrophobicContact CD2-CD1 4.3Å; L266-T326 HydrophobicContact CD2-CG2 3.91Å
267	V	98.8	Very high	97	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.006	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	119.1	-179.7	-179.5	0	0	0	0	108.5	C238 L242 I255 F279 V325 L327	C238-V267 WeakPolarHBondContact O-CA 3.41Å; L242-V267 HydrophobicContact CD1-CG1 4.12Å; L242-V267 HydrophobicContact CD2-CG1 4.03Å; L242-V267 HydrophobicContact CG-CG1 4.31Å; I255-V267 HydrophobicContact CD1-CG2 4.22Å; V267-F279 HydrophobicContact CB-CE1 4.46Å; V267-F279 HydrophobicContact CG1-CE1 4.22Å; V267-F279 HydrophobicContact CG2-CE1 4.13Å; V267-F279 HydrophobicContact CG2-CZ 4.05Å; V267-V325 HydrophobicContact CB-CB 4.22Å; V267-V325 PolarHBondContact N-O 2.95Å; V267-V325 PolarHBondContact O-N 3.29Å; V267-L327 HydrophobicContact CG2-CD1 4.09Å
268	F	98.8	Very high	97	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	109.3	176.2	-75	-95.4	0	0	0	109.5	V142 M143 Y146 C238 A239 D240 L266 Y296 P322 L323 L324	V142-F268 HydrophobicContact CG1-CD1 3.96Å; V142-F268 HydrophobicContact CG1-CE1 4.06Å; M143-F268 HydrophobicContact CB-CB 4.13Å; M143-F268 HydrophobicContact CB-CD2 3.58Å; M143-F268 HydrophobicContact CB-CE2 4.08Å; M143-F268 HydrophobicContact CB-CG 3.84Å; M143-F268 HydrophobicContact CG-CD2 3.48Å; M143-F268 VanDerWaalsContact CG-CD2 3.48Å; M143-F268 HydrophobicContact CG-CE2 3.79Å; M143-F268 HydrophobicContact CG-CG 4.25Å; M143-F268 HydrophobicContact SD-CD2 3.91Å; Y146-F268 HydrophobicContact CD1-CE2 4.1Å; Y146-F268 AromaticContact CD1-CZ 3.6Å; Y146-F268 HydrophobicContact CD1-CZ 3.6Å; Y146-F268 HydrophobicContact CD2-CZ 4.07Å; Y146-F268 HydrophobicContact CE1-CZ 4.2Å; Y146-F268 HydrophobicContact CG-CE1 4.28Å; Y146-F268 HydrophobicContact CG-CE2 4.39Å; Y146-F268 AromaticContact CG-CZ 3.52Å; Y146-F268 HydrophobicContact CG-CZ 3.52Å; C238-F268 PolarHBondContact O-N 3.15Å; A239-F268 CarbonylContact C-O 3.54Å; A239-F268 VanDerWaalsContact CA-O 3.29Å; A239-F268 WeakPolarHBondContact CA-O 3.23Å; D240-F268 PolarHBondContact N-O 3.26Å; L266-F268 HydrophobicContact CB-CE2 4.24Å; F268-Y296 HydrophobicContact CD1-CE2 4.35Å; F268-Y296 HydrophobicContact CE1-CD2 4.08Å; F268-Y296 AromaticContact CE1-CE2 3.69Å; F268-Y296 HydrophobicContact CE1-CE2 3.69Å; F268-P322 HydrophobicContact CB-CB 4.3Å; F268-P322 HydrophobicContact CD1-CB 4.48Å; F268-L323 WeakPolarHBondContact CA-O 3.47Å; F268-L324 HydrophobicContact CD1-CB 4.38Å; F268-L324 HydrophobicContact CD2-CD1 4.27Å; F268-L324 HydrophobicContact CE1-CB 3.94Å; F268-L324 HydrophobicContact CE1-CD1 4.17Å; F268-L324 HydrophobicContact CE1-CG 4.45Å; F268-L324 HydrophobicContact CE2-CD1 3.71Å; F268-L324 HydrophobicContact CZ-CB 4.26Å; F268-L324 HydrophobicContact CZ-CD1 3.65Å; F268-L324 HydrophobicContact CZ-CD2 4.28Å; F268-L324 HydrophobicContact CZ-CG 4.26Å
269	A	97.8	Very high	97	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.008	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	143	179.2	0	0	0	0	0	112.1	L242 L276 L323	L242-A269 HydrophobicContact CB-CB 4.44Å; L242-A269 HydrophobicContact CD1-CB 3.51Å; L242-A269 HydrophobicContact CG-CB 3.72Å; A269-L276 HydrophobicContact CB-CD1 4.32Å; A269-L276 VanDerWaalsContact O-CD1 3.23Å; A269-L276 WeakPolarHBondContact O-CD1 3.3Å; A269-L323 PolarHBondContact N-O 2.93Å; A269-L323 VanDerWaalsContact N-O 3.08Å; A269-L323 PolarHBondContact O-N 3.28Å
270	P	97	Very high	97	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.22	C	C	.	.			trans	-66.9	161.5	167.3	29.4	-35.6	0	0	0	111.5	S139 D240 R272 I319 Y321	S139-P270 WeakPolarHBondContact OG-CD 3.45Å; D240-P270 WeakPolarHBondContact OD1-CD 3.43Å; P270-R272 VanDerWaalsContact C-N 3.3Å; P270-R272 HydrophobicContact CB-CG 4.3Å; P270-R272 HydrophobicContact CG-CG 3.82Å; P270-R272 PolarHBondContact O-N 2.95Å; P270-I319 WeakPolarHBondContact CG-O 3.11Å; P270-Y321 WeakPolarHBondContact CA-O 3.45Å; P270-Y321 WeakPolarHBondContact CB-O 3.45Å
271	G	95.1	Very high	97	Very high	15 Å²	15	41 Å²	41	16%	0.155	22%	0.224	C	C	.	.			trans	-58.9	-40.7	-178.7	0	0	0	0	0	113.3	G273 T275 L276	G271-G273 CarbonylContact O-C 3.41Å; G271-G273 PolarHBondContact O-N 3.06Å; G271-T275 PolarHBondContact O-OG1 3.2Å; G271-T275 VanDerWaalsContact O-OG1 3.08Å; G271-L276 PolarHBondContact O-N 3.05Å
272	R	92.9	Very high	97.2	Very high	57 Å²	57	39.4 Å²	39.4	22%	0.215	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	40.7	61.9	-177.6	-74.3	176.9	-169.6	-64.3	-1.7	111.3	D240 P270 E274 T275 N318	D240-R272 IonicContact OD1-CZ 3.79Å; D240-R272 IonicContact OD1-NE 2.73Å; D240-R272 PolarHBondContact OD1-NE 2.86Å; D240-R272 IonicContact OD1-NH2 3.4Å; D240-R272 PolarHBondContact OD1-NH2 2.92Å; D240-R272 IonicContact OD2-CZ 3.69Å; D240-R272 IonicContact OD2-NE 2.78Å; D240-R272 IonicContact OD2-NH2 2.74Å; D240-R272 PolarHBondContact OD2-NH2 3.47Å; P270-R272 VanDerWaalsContact C-N 3.3Å; P270-R272 HydrophobicContact CB-CG 4.3Å; P270-R272 HydrophobicContact CG-CG 3.82Å; P270-R272 PolarHBondContact O-N 2.95Å; R272-E274 PolarHBondContact O-N 3.23Å; R272-T275 WeakPolarHBondContact CB-OG1 3.36Å; R272-T275 WeakPolarHBondContact O-CG2 3.36Å; R272-T275 PolarHBondContact O-N 3.45Å; R272-T275 PolarHBondContact O-OG1 3.23Å; R272-N318 VanDerWaalsContact CA-O 3.26Å; R272-N318 WeakPolarHBondContact CA-O 3.37Å; R272-N318 PolarHBondContact N-O 3.24Å; R272-N318 PolarHBondContact N-OD1 3.4Å
273	G	93.9	Very high	97.4	Very high	48 Å²	48	32.7 Å²	32.7	50%	0.495	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.9	-120.2	-173	0	0	0	0	0	109.9	G271 N318	G271-G273 CarbonylContact O-C 3.41Å; G271-G273 PolarHBondContact O-N 3.06Å; G273-N318 PolarHBondContact N-ND2 3.3Å; G273-N318 PolarHBondContact N-OD1 2.98Å
274	E	95	Very high	97.4	Very high	136 Å²	136	38.1 Å²	38.1	64%	0.636	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.4	-0.2	-178.7	-61.2	-166.7	109.8	0	0	113.7	R272 L276 T277 L278	R272-E274 PolarHBondContact O-N 3.23Å; E274-L276 PolarHBondContact O-N 2.83Å; E274-T277 PolarHBondContact O-N 3.19Å; E274-T277 VanDerWaalsContact O-N 3.13Å; E274-L278 HydrophobicContact CB-CD1 4.22Å; E274-L278 HydrophobicContact CB-CG 4.26Å; E274-L278 WeakPolarHBondContact O-CB 3.49Å; E274-L278 VanDerWaalsContact O-CG 3.29Å; E274-L278 WeakPolarHBondContact O-CG 3.38Å; E274-L278 PolarHBondContact O-N 2.88Å
275	T	96.6	Very high	97.4	Very high	21 Å²	21	41.2 Å²	41.2	13%	0.129	21%	0.213	C	C	.	.	H	α-helix	trans	-60.3	-41.5	-170.2	61.6	0	0	0	0	113.3	G271 R272 F279	G271-T275 PolarHBondContact O-OG1 3.2Å; G271-T275 VanDerWaalsContact O-OG1 3.08Å; R272-T275 WeakPolarHBondContact CB-OG1 3.36Å; R272-T275 WeakPolarHBondContact O-CG2 3.36Å; R272-T275 PolarHBondContact O-N 3.45Å; R272-T275 PolarHBondContact O-OG1 3.23Å; T275-F279 WeakPolarHBondContact O-CB 3.44Å; T275-F279 PolarHBondContact O-N 2.98Å
276	L	97.6	Very high	97.3	Very high	3 Å²	3	43 Å²	43	2%	0.016	23%	0.228	C	C	.	.	H	α-helix	trans	-66.8	-45	175.1	-175.5	146.2	0	0	0	111.8	L242 A269 G271 E274 L278 F279 C280 L323 V325	L242-L276 HydrophobicContact CD1-CB 4.15Å; L242-L276 HydrophobicContact CD1-CD1 4.33Å; L242-L276 HydrophobicContact CD1-CG 4.1Å; A269-L276 HydrophobicContact CB-CD1 4.32Å; A269-L276 VanDerWaalsContact O-CD1 3.23Å; A269-L276 WeakPolarHBondContact O-CD1 3.3Å; G271-L276 PolarHBondContact O-N 3.05Å; E274-L276 PolarHBondContact O-N 2.83Å; L276-L278 VanDerWaalsContact C-N 3.33Å; L276-L278 PolarHBondContact O-N 3.15Å; L276-F279 WeakPolarHBondContact O-CB 3.39Å; L276-F279 PolarHBondContact O-N 3.25Å; L276-C280 PolarHBondContact O-N 3.09Å; L276-C280 PolarHBondContact O-SG 3.2Å; L276-C280 VanDerWaalsContact O-SG 3.39Å; L276-L323 HydrophobicContact CD1-CB 3.97Å; L276-L323 HydrophobicContact CD1-CD1 3.91Å; L276-L323 HydrophobicContact CD1-CG 4.46Å; L276-L323 HydrophobicContact CD2-CD1 4.27Å; L276-V325 HydrophobicContact CD1-CG2 4.27Å; L276-V325 HydrophobicContact CD2-CG2 4.35Å; L276-V325 HydrophobicContact CG-CG2 4.42Å
277	T	97.6	Very high	97.2	Very high	74 Å²	74	44.9 Å²	44.9	45%	0.454	25%	0.248	S	C	.	.	H	α-helix	trans	-60.2	-42.9	178.1	-56.9	0	0	0	0	111.7	E274 C280 R281	E274-T277 PolarHBondContact O-N 3.19Å; E274-T277 VanDerWaalsContact O-N 3.13Å; T277-C280 PolarHBondContact O-N 3.13Å; T277-R281 PolarHBondContact O-N 3.33Å
278	L	98.1	Very high	97.1	Very high	52 Å²	52	45.2 Å²	45.2	27%	0.272	25%	0.25	S	S	.	.	H	α-helix	trans	-64.9	-39.7	176.4	-70	172.7	0	0	0	111.6	E274 L276 R281 L282	E274-L278 HydrophobicContact CB-CD1 4.22Å; E274-L278 HydrophobicContact CB-CG 4.26Å; E274-L278 WeakPolarHBondContact O-CB 3.49Å; E274-L278 VanDerWaalsContact O-CG 3.29Å; E274-L278 WeakPolarHBondContact O-CG 3.38Å; E274-L278 PolarHBondContact O-N 2.88Å; L276-L278 VanDerWaalsContact C-N 3.33Å; L276-L278 PolarHBondContact O-N 3.15Å; L278-R281 PolarHBondContact O-N 3.32Å; L278-L282 WeakPolarHBondContact O-CG 3.38Å; L278-L282 PolarHBondContact O-N 2.82Å
279	F	98.6	Very high	97.1	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-61.5	-48.6	174.6	171.6	-97	0	0	0	111.5	L242 R248 L251 V252 I255 V267 T275 L276 R281 L282 A283 L327	L242-F279 HydrophobicContact CD1-CB 4Å; L242-F279 HydrophobicContact CD1-CD1 3.91Å; L242-F279 HydrophobicContact CD1-CG 3.97Å; L242-F279 HydrophobicContact CD2-CB 4.13Å; L242-F279 HydrophobicContact CD2-CD1 3.98Å; L242-F279 HydrophobicContact CD2-CD2 3.51Å; L242-F279 HydrophobicContact CD2-CE1 4.26Å; L242-F279 HydrophobicContact CD2-CE2 3.81Å; L242-F279 HydrophobicContact CD2-CG 3.59Å; L242-F279 HydrophobicContact CD2-CZ 4.18Å; L242-F279 HydrophobicContact CG-CB 4.5Å; L242-F279 HydrophobicContact CG-CG 4.35Å; R248-F279 HydrophobicContact CG-CB 4.2Å; R248-F279 HydrophobicContact CG-CD2 4.22Å; L251-F279 HydrophobicContact CD2-CD2 4.48Å; L251-F279 HydrophobicContact CD2-CE2 4.01Å; L251-F279 HydrophobicContact CG-CE2 4.14Å; V252-F279 HydrophobicContact CG2-CD2 3.57Å; V252-F279 HydrophobicContact CG2-CE2 3.44Å; V252-F279 VanDerWaalsContact CG2-CE2 3.44Å; V252-F279 HydrophobicContact CG2-CZ 4.29Å; I255-F279 HydrophobicContact CD1-CE2 4.23Å; I255-F279 HydrophobicContact CD1-CZ 3.89Å; V267-F279 HydrophobicContact CB-CE1 4.46Å; V267-F279 HydrophobicContact CG1-CE1 4.22Å; V267-F279 HydrophobicContact CG2-CE1 4.13Å; V267-F279 HydrophobicContact CG2-CZ 4.05Å; T275-F279 WeakPolarHBondContact O-CB 3.44Å; T275-F279 PolarHBondContact O-N 2.98Å; L276-F279 WeakPolarHBondContact O-CB 3.39Å; L276-F279 PolarHBondContact O-N 3.25Å; F279-R281 VanDerWaalsContact C-N 3.29Å; F279-R281 PolarHBondContact O-N 3.22Å; F279-L282 PolarHBondContact O-N 3.21Å; F279-A283 WeakPolarHBondContact O-CB 3.42Å; F279-A283 PolarHBondContact O-N 3.02Å; F279-L327 HydrophobicContact CE1-CD1 3.96Å; F279-L327 HydrophobicContact CZ-CD1 3.79Å
280	C	98.6	Very high	97.1	Very high	13 Å²	13	49.2 Å²	49.2	9%	0.088	28%	0.276	C	S	.	.	H	α-helix	trans	-58	-41.9	177	-69.1	0	0	0	0	111.9	L276 T277 A283 Q284 V290	L276-C280 PolarHBondContact O-N 3.09Å; L276-C280 PolarHBondContact O-SG 3.2Å; L276-C280 VanDerWaalsContact O-SG 3.39Å; T277-C280 PolarHBondContact O-N 3.13Å; C280-A283 PolarHBondContact O-N 2.77Å; C280-Q284 WeakPolarHBondContact O-CG 3.28Å; C280-Q284 PolarHBondContact O-N 3.34Å; C280-V290 HydrophobicContact CB-CG1 4.06Å
281	R	98.4	Very high	97.2	Very high	128 Å²	128	52.4 Å²	52.4	48%	0.483	30%	0.298	S	S	.	.	H	α-helix	trans	-62.3	-46.6	176.5	-173.3	-174.8	-60.9	165.9	3.4	112	T277 L278 F279 A283 Q284 Q285	T277-R281 PolarHBondContact O-N 3.33Å; L278-R281 PolarHBondContact O-N 3.32Å; F279-R281 VanDerWaalsContact C-N 3.29Å; F279-R281 PolarHBondContact O-N 3.22Å; R281-A283 VanDerWaalsContact C-N 3.33Å; R281-A283 PolarHBondContact O-N 3.37Å; R281-Q284 PolarHBondContact O-N 2.97Å; R281-Q285 VanDerWaalsContact O-CG 3.3Å; R281-Q285 WeakPolarHBondContact O-CG 3.39Å; R281-Q285 PolarHBondContact O-N 3.3Å
282	L	98.5	Very high	97.4	Very high	52 Å²	52	56.9 Å²	56.9	27%	0.272	32%	0.315	S	S	.	.	H	α-helix	trans	-63.1	-40.6	177.3	-73.2	167.8	0	0	0	111.4	R248 V252 L278 F279 Q285 A286	R248-L282 HydrophobicContact CB-CD1 4.31Å; R248-L282 HydrophobicContact CG-CD1 3.74Å; V252-L282 HydrophobicContact CG2-CB 3.95Å; L278-L282 WeakPolarHBondContact O-CG 3.38Å; L278-L282 PolarHBondContact O-N 2.82Å; F279-L282 PolarHBondContact O-N 3.21Å; L282-Q285 PolarHBondContact O-N 3.08Å; L282-A286 WeakPolarHBondContact O-CB 3.47Å; L282-A286 PolarHBondContact O-N 3.37Å
283	A	98.4	Very high	97.6	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-60.8	-44.6	176	0	0	0	0	0	112.3	V252 F279 C280 R281 A286 G287 L288 V290 L327	V252-A283 HydrophobicContact CG1-CB 4.29Å; V252-A283 HydrophobicContact CG2-CB 4.32Å; F279-A283 WeakPolarHBondContact O-CB 3.42Å; F279-A283 PolarHBondContact O-N 3.02Å; C280-A283 PolarHBondContact O-N 2.77Å; R281-A283 VanDerWaalsContact C-N 3.33Å; R281-A283 PolarHBondContact O-N 3.37Å; A283-A286 CarbonylContact O-C 3.55Å; A283-A286 PolarHBondContact O-N 3.13Å; A283-G287 PolarHBondContact O-N 3.36Å; A283-L288 HydrophobicContact CB-CB 4.36Å; A283-L288 HydrophobicContact CB-CD1 4.13Å; A283-L288 WeakPolarHBondContact O-CB 3.44Å; A283-L288 PolarHBondContact O-N 2.94Å; A283-V290 HydrophobicContact CB-CG2 3.84Å; A283-L327 HydrophobicContact CB-CD2 4Å
284	Q	98.2	Very high	97.8	Very high	116 Å²	116	60.3 Å²	60.3	54%	0.542	32%	0.32	S	S	.	.	H	α-helix	trans	-62.2	-44.3	174.7	-71.2	172.8	-29.3	0	0	112	C280 R281 A286 G287 V290	C280-Q284 WeakPolarHBondContact O-CG 3.28Å; C280-Q284 PolarHBondContact O-N 3.34Å; R281-Q284 PolarHBondContact O-N 2.97Å; Q284-A286 PolarHBondContact O-N 3.1Å; Q284-G287 PolarHBondContact O-N 3Å; Q284-V290 HydrophobicContact CG-CB 4.16Å; Q284-V290 HydrophobicContact CG-CG2 3.55Å
285	Q	97.9	Very high	97.9	Very high	141 Å²	141	60.1 Å²	60.1	66%	0.659	32%	0.319	S	S	*	.	H	α-helix	trans	-62.1	-31.2	176.4	-72.8	172.4	-17.9	0	0	112.4	R281 L282 G287	R281-Q285 VanDerWaalsContact O-CG 3.3Å; R281-Q285 WeakPolarHBondContact O-CG 3.39Å; R281-Q285 PolarHBondContact O-N 3.3Å; L282-Q285 PolarHBondContact O-N 3.08Å; Q285-G287 PolarHBondContact O-N 3.35Å
286	A	97	Very high	97.9	Very high	38 Å²	38	60.4 Å²	60.4	31%	0.314	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	4.8	174.5	0	0	0	0	0	113.8	V252 R256 L282 A283 Q284	V252-A286 HydrophobicContact CG1-CB 3.58Å; R256-A286 WeakPolarHBondContact CD-O 3.28Å; L282-A286 WeakPolarHBondContact O-CB 3.47Å; L282-A286 PolarHBondContact O-N 3.37Å; A283-A286 CarbonylContact O-C 3.55Å; A283-A286 PolarHBondContact O-N 3.13Å; Q284-A286 PolarHBondContact O-N 3.1Å
287	G	96.1	Very high	98	Very high	46 Å²	46	60.6 Å²	60.6	47%	0.474	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.9	17.5	176.5	0	0	0	0	0	115.1	A283 Q284 Q285 G330	A283-G287 PolarHBondContact O-N 3.36Å; Q284-G287 PolarHBondContact O-N 3Å; Q285-G287 PolarHBondContact O-N 3.35Å; G287-G330 PolarHBondContact O-N 3.3Å; G287-G330 VanDerWaalsContact O-N 3.08Å
288	L	98	Very high	98	Very high	8 Å²	8	60 Å²	60	4%	0.042	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	139.4	171.6	-61.5	171.7	0	0	0	110.6	I255 R256 A283 L327 T328 K329	I255-L288 HydrophobicContact CG2-CD1 4.45Å; R256-L288 HydrophobicContact CB-CD1 4.27Å; R256-L288 HydrophobicContact CB-CD2 4.28Å; R256-L288 HydrophobicContact CB-CG 4.45Å; R256-L288 HydrophobicContact CG-CD2 4.2Å; A283-L288 HydrophobicContact CB-CB 4.36Å; A283-L288 HydrophobicContact CB-CD1 4.13Å; A283-L288 WeakPolarHBondContact O-CB 3.44Å; A283-L288 PolarHBondContact O-N 2.94Å; L288-L327 HydrophobicContact CD1-CB 4.47Å; L288-L327 HydrophobicContact CD1-CD1 4.25Å; L288-T328 CarbonylContact C-O 3.54Å; L288-T328 WeakPolarHBondContact CA-O 3.35Å; L288-K329 HydrophobicContact CD2-CG 4.26Å
289	C	98.3	Very high	97.9	Very high	56 Å²	56	60 Å²	60	38%	0.378	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	132.6	164	-64.7	0	0	0	0	108.7	L327 T328	C289-L327 VanDerWaalsContact O-CA 3.29Å; C289-L327 WeakPolarHBondContact O-CA 3.41Å; C289-T328 PolarHBondContact N-O 3.5Å; C289-T328 PolarHBondContact O-N 2.96Å; C289-T328 VanDerWaalsContact O-N 3.09Å
290	V	98.4	Very high	97.9	Very high	30 Å²	30	60 Å²	60	18%	0.182	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	128.1	-174.5	-174	0	0	0	0	109.7	C280 A283 Q284 V325 L327	C280-V290 HydrophobicContact CB-CG1 4.06Å; A283-V290 HydrophobicContact CB-CG2 3.84Å; Q284-V290 HydrophobicContact CG-CB 4.16Å; Q284-V290 HydrophobicContact CG-CG2 3.55Å; V290-V325 HydrophobicContact CG1-CG1 3.66Å; V290-L327 HydrophobicContact CB-CD2 4.03Å; V290-L327 HydrophobicContact CG1-CD2 3.85Å; V290-L327 HydrophobicContact CG2-CD2 3.54Å
291	C	98.3	Very high	97.8	Very high	67 Å²	67	61.5 Å²	61.5	45%	0.453	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	133.6	170.4	-64.6	0	0	0	0	109.9	V325 T326	C291-V325 CarbonylContact O-C 3.59Å; C291-V325 WeakPolarHBondContact O-CA 3.28Å; C291-T326 WeakPolarHBondContact CB-OG1 3.49Å; C291-T326 PolarHBondContact N-O 3.22Å; C291-T326 PolarHBondContact O-N 3.45Å
292	Q	98.3	Very high	97.8	Very high	109 Å²	109	60.4 Å²	60.4	51%	0.509	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	133.6	179.2	-174.9	-179	-52.3	0	0	109.6	L324 V325	Q292-L324 CarbonylContact C-O 3.58Å; Q292-V325 HydrophobicContact CG-CG2 4.27Å
293	H	98.3	Very high	97.7	Very high	78 Å²	78	59.5 Å²	59.5	36%	0.361	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	123.2	-178.8	-52.4	-90.3	0	0	0	108.7	Y296 L324 T326	H293-Y296 HydrophobicContact CB-CD1 4.44Å; H293-Y296 WeakPolarHBondContact O-CD1 3.45Å; H293-L324 HydrophobicContact CB-CB 4.2Å; H293-L324 HydrophobicContact CB-CD2 4.43Å; H293-L324 HydrophobicContact CB-CG 4.39Å; H293-L324 PolarHBondContact N-O 3.34Å; H293-L324 PolarHBondContact O-N 3.18Å; H293-L324 VanDerWaalsContact O-N 3.12Å; H293-T326 PolarHBondContact NE2-OG1 3.15Å
294	Q	97.2	Very high	97.6	Very high	98 Å²	98	59.7 Å²	59.7	46%	0.458	33%	0.325	S	S	.	.	S	Bend	trans	-90	-43.5	175.5	-171.2	175.5	18.4	0	0	111.4	W301 Y321 L323	Q294-W301 HydrophobicContact CG-CH2 4.26Å; Q294-W301 HydrophobicContact CG-CZ3 3.9Å; Q294-Y321 HydrophobicContact CG-CE1 4.11Å; Q294-Y321 WeakPolarHBondContact O-CE1 3.43Å; Q294-Y321 PolarHBondContact O-OH 3.31Å; Q294-L323 HydrophobicContact CB-CD2 4.1Å; Q294-L323 HydrophobicContact CG-CD2 3.92Å
295	Q	97.4	Very high	97.6	Very high	132 Å²	132	57.1 Å²	57.1	62%	0.617	32%	0.315	S	S	*	.			trans	-109.8	80.6	-179.2	-59.2	-178.2	14	0	0	109.3	W301	Q295-W301 HydrophobicContact CB-CD2 4.49Å; Q295-W301 HydrophobicContact CG-CD2 3.69Å; Q295-W301 HydrophobicContact CG-CE3 3.74Å; Q295-W301 HydrophobicContact CG-CG 4.38Å; Q295-W301 HydrophobicContact CG-CH2 3.84Å; Q295-W301 HydrophobicContact CG-CZ2 3.78Å; Q295-W301 HydrophobicContact CG-CZ3 3.8Å
296	Y	97.8	Very high	97.5	Very high	27 Å²	27	55.9 Å²	55.9	11%	0.106	31%	0.308	C	S	.	.			trans	-102.4	-16.1	-176.2	50.8	-95.8	0	0	0	113.6	V142 Y146 F268 H293 V300 P322 L324	V142-Y296 HydrophobicContact CG1-CE2 3.79Å; V142-Y296 WeakPolarHBondContact CG1-OH 3.5Å; Y146-Y296 HydrophobicContact CD2-CD2 4.11Å; Y146-Y296 HydrophobicContact CE2-CD2 4.39Å; F268-Y296 HydrophobicContact CD1-CE2 4.35Å; F268-Y296 HydrophobicContact CE1-CD2 4.08Å; F268-Y296 AromaticContact CE1-CE2 3.69Å; F268-Y296 HydrophobicContact CE1-CE2 3.69Å; H293-Y296 HydrophobicContact CB-CD1 4.44Å; H293-Y296 WeakPolarHBondContact O-CD1 3.45Å; Y296-V300 HydrophobicContact CE2-CB 4.5Å; Y296-V300 HydrophobicContact CE2-CG1 4.2Å; Y296-P322 VanDerWaalsContact CE1-O 3.26Å; Y296-P322 WeakPolarHBondContact CE1-O 3.49Å; Y296-P322 WeakPolarHBondContact OH-CG 3.46Å; Y296-P322 PolarHBondContact OH-O 3.11Å; Y296-L324 HydrophobicContact CD1-CB 3.48Å; Y296-L324 VanDerWaalsContact CD1-CB 3.48Å; Y296-L324 HydrophobicContact CD2-CB 4.43Å; Y296-L324 HydrophobicContact CE1-CB 3.92Å; Y296-L324 HydrophobicContact CG-CB 3.77Å; Y296-L324 HydrophobicContact CG-CD2 4.09Å
297	D	98.1	Very high	97.4	Very high	7 Å²	7	55.7 Å²	55.7	4%	0.037	30%	0.301	C	S	.	.			trans	-148.5	136.4	179.5	178.8	-96.4	0	0	0	110.6	H145 Q149 Q299 V300 W301	H145-D297 IonicContact NE2-OD1 3.69Å; H145-D297 IonicContact NE2-OD2 3.37Å; Q149-D297 PolarHBondContact NE2-OD2 3.22Å; Q149-D297 PolarHBondContact OE1-OD2 3.09Å; Q149-D297 VanDerWaalsContact OE1-OD2 3.04Å; D297-Q299 WeakPolarHBondContact OD1-CA 3.39Å; D297-Q299 WeakPolarHBondContact OD1-CB 3.18Å; D297-Q299 PolarHBondContact OD1-N 2.84Å; D297-Q299 PolarHBondContact OD1-OE1 2.99Å; D297-Q299 PolarHBondContact OD2-OE1 2.78Å; D297-Q299 VanDerWaalsContact OD2-OE1 3.05Å; D297-V300 HydrophobicContact CB-CB 4.12Å; D297-V300 HydrophobicContact CB-CG2 4.1Å; D297-V300 VanDerWaalsContact OD1-CG2 3.31Å; D297-V300 WeakPolarHBondContact OD1-CG2 3.11Å; D297-V300 PolarHBondContact OD1-N 3.01Å; D297-W301 VanDerWaalsContact O-CB 3.22Å; D297-W301 WeakPolarHBondContact O-CB 3.35Å; D297-W301 PolarHBondContact O-N 3.4Å
298	A	97.3	Very high	97.3	Very high	61 Å²	61	56.9 Å²	56.9	50%	0.504	30%	0.296	S	S	.	.	H	α-helix	trans	-73.6	-40.6	-174.8	0	0	0	0	0	112.3	W301 D302	A298-W301 PolarHBondContact O-N 3.42Å; A298-D302 WeakPolarHBondContact O-CB 3.38Å; A298-D302 VanDerWaalsContact O-CG 3.3Å; A298-D302 PolarHBondContact O-N 3.27Å
299	Q	96.6	Very high	97.2	Very high	54 Å²	54	65.1 Å²	65.1	25%	0.252	33%	0.326	S	S	.	.	H	α-helix	trans	-63.6	-45.5	179.9	-67.3	75.3	8.2	0	0	110.8	L78 Y104 D297 D302 V303	L78-Q299 HydrophobicContact CD2-CB 4.42Å; Y104-Q299 HydrophobicContact CD1-CG 4.1Å; Y104-Q299 HydrophobicContact CD2-CG 4.5Å; Y104-Q299 HydrophobicContact CE1-CG 3.5Å; Y104-Q299 VanDerWaalsContact CE1-CG 3.5Å; Y104-Q299 HydrophobicContact CE2-CB 4.23Å; Y104-Q299 HydrophobicContact CE2-CG 3.96Å; Y104-Q299 VanDerWaalsContact CZ-CG 3.41Å; D297-Q299 WeakPolarHBondContact OD1-CA 3.39Å; D297-Q299 WeakPolarHBondContact OD1-CB 3.18Å; D297-Q299 PolarHBondContact OD1-N 2.84Å; D297-Q299 PolarHBondContact OD1-OE1 2.99Å; D297-Q299 PolarHBondContact OD2-OE1 2.78Å; D297-Q299 VanDerWaalsContact OD2-OE1 3.05Å; Q299-D302 PolarHBondContact O-N 2.65Å; Q299-V303 WeakPolarHBondContact O-CG2 3.4Å; Q299-V303 PolarHBondContact O-N 3.31Å
300	V	97.9	Very high	96.9	Very high	0 Å²	0	68.2 Å²	68.2	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-64.4	-42.1	176.7	175.3	0	0	0	0	110.9	F76 L78 V142 Y296 D297 V303 H304 Y321	F76-V300 HydrophobicContact CD1-CG1 4.12Å; F76-V300 HydrophobicContact CE1-CG1 3.89Å; F76-V300 HydrophobicContact CZ-CG1 4.45Å; L78-V300 HydrophobicContact CD1-CG2 3.94Å; V142-V300 HydrophobicContact CG1-CG1 4.12Å; V142-V300 HydrophobicContact CG1-CG2 3.93Å; V142-V300 HydrophobicContact CG2-CG1 4.12Å; V142-V300 HydrophobicContact CG2-CG2 4.1Å; Y296-V300 HydrophobicContact CE2-CB 4.5Å; Y296-V300 HydrophobicContact CE2-CG1 4.2Å; D297-V300 HydrophobicContact CB-CB 4.12Å; D297-V300 HydrophobicContact CB-CG2 4.1Å; D297-V300 VanDerWaalsContact OD1-CG2 3.31Å; D297-V300 WeakPolarHBondContact OD1-CG2 3.11Å; D297-V300 PolarHBondContact OD1-N 3.01Å; V300-V303 PolarHBondContact O-N 3.1Å; V300-H304 WeakPolarHBondContact O-CB 3.5Å; V300-H304 PolarHBondContact O-N 2.97Å; V300-Y321 HydrophobicContact CG1-CE2 3.92Å
301	W	98	Very high	96.5	Very high	43 Å²	43	68.2 Å²	68.2	16%	0.163	34%	0.341	C	S	.	.	H	α-helix	trans	-64.3	-41.2	178.3	-171.3	-114.3	0	0	0	112.7	Q294 Q295 D297 A298 V303 H304 L305 Y321	Q294-W301 HydrophobicContact CG-CH2 4.26Å; Q294-W301 HydrophobicContact CG-CZ3 3.9Å; Q295-W301 HydrophobicContact CB-CD2 4.49Å; Q295-W301 HydrophobicContact CG-CD2 3.69Å; Q295-W301 HydrophobicContact CG-CE3 3.74Å; Q295-W301 HydrophobicContact CG-CG 4.38Å; Q295-W301 HydrophobicContact CG-CH2 3.84Å; Q295-W301 HydrophobicContact CG-CZ2 3.78Å; Q295-W301 HydrophobicContact CG-CZ3 3.8Å; D297-W301 VanDerWaalsContact O-CB 3.22Å; D297-W301 WeakPolarHBondContact O-CB 3.35Å; D297-W301 PolarHBondContact O-N 3.4Å; A298-W301 PolarHBondContact O-N 3.42Å; W301-V303 PolarHBondContact O-N 3.44Å; W301-H304 AromaticContact CE3-CD2 3.48Å; W301-H304 VanDerWaalsContact CE3-CD2 3.48Å; W301-H304 AromaticContact CH2-CD2 3.67Å; W301-H304 AromaticContact CH2-NE2 3.85Å; W301-H304 AromaticContact CZ3-CD2 3.18Å; W301-H304 WeakPolarHBondContact CZ3-CD2 3.41Å; W301-H304 AromaticContact CZ3-NE2 3.62Å; W301-H304 WeakPolarHBondContact O-CB 3.3Å; W301-H304 PolarHBondContact O-N 3.03Å; W301-L305 HydrophobicContact CD2-CG 4.47Å; W301-L305 HydrophobicContact CZ2-CD2 3.95Å; W301-L305 HydrophobicContact CZ2-CG 4.41Å; W301-L305 WeakPolarHBondContact O-CG 3.3Å; W301-L305 PolarHBondContact O-N 3.24Å; W301-Y321 HydrophobicContact CE3-CE1 4.47Å; W301-Y321 HydrophobicContact CE3-CE2 4.41Å; W301-Y321 AromaticContact CE3-CZ 3.85Å; W301-Y321 HydrophobicContact CZ3-CE1 4.14Å; W301-Y321 AromaticContact CZ3-CZ 3.96Å
302	D	97.4	Very high	96	Very high	105 Å²	105	72.2 Å²	72.2	56%	0.561	35%	0.351	S	S	*	.	H	α-helix	trans	-62.4	-43.5	178.2	-77.1	-16.4	0	0	0	111.9	A298 Q299 L305 K306	A298-D302 WeakPolarHBondContact O-CB 3.38Å; A298-D302 VanDerWaalsContact O-CG 3.3Å; A298-D302 PolarHBondContact O-N 3.27Å; Q299-D302 PolarHBondContact O-N 2.65Å; D302-L305 PolarHBondContact O-N 3.15Å; D302-K306 WeakPolarHBondContact O-CB 3.48Å; D302-K306 PolarHBondContact O-N 3.29Å
303	V	96.4	Very high	95.3	Very high	34 Å²	34	72.4 Å²	72.4	21%	0.206	35%	0.352	C	S	.	.	H	α-helix	trans	-64.2	-43.2	174.5	174.5	0	0	0	0	110.5	F73 F76 Q299 V300 W301 L305 K306 M307	F73-V303 HydrophobicContact CZ-CG1 4.46Å; F76-V303 HydrophobicContact CB-CG1 4.45Å; F76-V303 HydrophobicContact CD1-CB 3.75Å; F76-V303 HydrophobicContact CD1-CG1 3.5Å; F76-V303 VanDerWaalsContact CD1-CG1 3.5Å; F76-V303 HydrophobicContact CE1-CB 4.32Å; F76-V303 HydrophobicContact CE1-CG1 4.06Å; F76-V303 HydrophobicContact CG-CG1 4.25Å; Q299-V303 WeakPolarHBondContact O-CG2 3.4Å; Q299-V303 PolarHBondContact O-N 3.31Å; V300-V303 PolarHBondContact O-N 3.1Å; W301-V303 PolarHBondContact O-N 3.44Å; V303-L305 PolarHBondContact O-N 2.95Å; V303-K306 WeakPolarHBondContact O-CB 3.35Å; V303-K306 PolarHBondContact O-N 3.3Å; V303-M307 HydrophobicContact CG1-CG 4.13Å; V303-M307 WeakPolarHBondContact O-CB 3.29Å; V303-M307 VanDerWaalsContact O-CG 3.28Å; V303-M307 WeakPolarHBondContact O-CG 3.44Å; V303-M307 PolarHBondContact O-N 3.13Å
304	H	97.3	Very high	94.6	Very high	3 Å²	3	70.2 Å²	70.2	1%	0.014	35%	0.347	C	S	.	.	H	α-helix	trans	-57.1	-49.9	175.8	169.3	59.1	0	0	0	112.1	V300 W301 K306 M307 L308 Y315 E317 Y321	V300-H304 WeakPolarHBondContact O-CB 3.5Å; V300-H304 PolarHBondContact O-N 2.97Å; W301-H304 AromaticContact CE3-CD2 3.48Å; W301-H304 VanDerWaalsContact CE3-CD2 3.48Å; W301-H304 AromaticContact CH2-CD2 3.67Å; W301-H304 AromaticContact CH2-NE2 3.85Å; W301-H304 AromaticContact CZ3-CD2 3.18Å; W301-H304 WeakPolarHBondContact CZ3-CD2 3.41Å; W301-H304 AromaticContact CZ3-NE2 3.62Å; W301-H304 WeakPolarHBondContact O-CB 3.3Å; W301-H304 PolarHBondContact O-N 3.03Å; H304-K306 VanDerWaalsContact C-N 3.31Å; H304-K306 PolarHBondContact O-N 3.29Å; H304-M307 PolarHBondContact O-N 3.06Å; H304-L308 WeakPolarHBondContact NE2-CD1 3.33Å; H304-L308 WeakPolarHBondContact O-CG 3.37Å; H304-L308 PolarHBondContact O-N 2.98Å; H304-Y315 AromaticContact CE1-CE1 3.97Å; H304-Y315 AromaticContact ND1-CE1 3.39Å; H304-Y315 WeakPolarHBondContact ND1-CE1 3.26Å; H304-Y315 AromaticContact ND1-CZ 3.58Å; H304-Y315 PolarHBondContact ND1-OH 3.34Å; H304-E317 IonicContact CE1-OE2 3.23Å; H304-Y321 HydrophobicContact CB-CD2 3.65Å; H304-Y321 HydrophobicContact CB-CE2 3.52Å; H304-Y321 AromaticContact CE1-CG 3.98Å; H304-Y321 AromaticContact CG-CD2 3.52Å; H304-Y321 AromaticContact CG-CE2 3.63Å; H304-Y321 AromaticContact ND1-CD2 3.51Å; H304-Y321 AromaticContact ND1-CG 3.74Å
305	L	97.4	Very high	94.3	Very high	63 Å²	63	65.6 Å²	65.6	33%	0.33	33%	0.325	S	S	.	.	H	α-helix	trans	-62.3	-38	177.5	-70.4	-178.3	0	0	0	112.3	W301 D302 V303 L308 R309	W301-L305 HydrophobicContact CD2-CG 4.47Å; W301-L305 HydrophobicContact CZ2-CD2 3.95Å; W301-L305 HydrophobicContact CZ2-CG 4.41Å; W301-L305 WeakPolarHBondContact O-CG 3.3Å; W301-L305 PolarHBondContact O-N 3.24Å; D302-L305 PolarHBondContact O-N 3.15Å; V303-L305 PolarHBondContact O-N 2.95Å; L305-L308 HydrophobicContact CD2-CD1 4.46Å; L305-R309 PolarHBondContact O-NH1 3.49Å
306	K	96.1	Very high	94.2	Very high	115 Å²	115	60.9 Å²	60.9	50%	0.5	30%	0.304	S	S	.	.	H	α-helix	trans	-61.4	-50.4	173.9	-178.1	-173.2	172.9	-169.7	0	111.1	D302 V303 H304 L308 R309	D302-K306 WeakPolarHBondContact O-CB 3.48Å; D302-K306 PolarHBondContact O-N 3.29Å; V303-K306 WeakPolarHBondContact O-CB 3.35Å; V303-K306 PolarHBondContact O-N 3.3Å; H304-K306 VanDerWaalsContact C-N 3.31Å; H304-K306 PolarHBondContact O-N 3.29Å; K306-L308 VanDerWaalsContact C-N 3.34Å; K306-L308 PolarHBondContact O-N 2.84Å; K306-R309 WeakPolarHBondContact O-CB 3.21Å; K306-R309 PolarHBondContact O-N 3.19Å; K306-R309 VanDerWaalsContact O-N 3.1Å
307	M	94.4	Very high	94	Very high	34 Å²	34	63.7 Å²	63.7	17%	0.167	32%	0.318	C	S	.	.	H	α-helix	trans	-69.8	-29.4	-176	-68.1	-54.6	-54	0	0	113.1	F73 V303 H304 R309 E310 A314 Y315	F73-M307 HydrophobicContact CD2-CE 3.83Å; F73-M307 HydrophobicContact CD2-CG 4.2Å; F73-M307 HydrophobicContact CD2-SD 4.36Å; F73-M307 HydrophobicContact CE2-CE 4.29Å; F73-M307 HydrophobicContact CE2-CG 3.75Å; F73-M307 HydrophobicContact CE2-SD 4.23Å; V303-M307 HydrophobicContact CG1-CG 4.13Å; V303-M307 WeakPolarHBondContact O-CB 3.29Å; V303-M307 VanDerWaalsContact O-CG 3.28Å; V303-M307 WeakPolarHBondContact O-CG 3.44Å; V303-M307 PolarHBondContact O-N 3.13Å; H304-M307 PolarHBondContact O-N 3.06Å; M307-R309 PolarHBondContact O-N 3.35Å; M307-E310 HydrophobicContact CE-CB 4.37Å; M307-E310 HydrophobicContact CE-CG 4.24Å; M307-E310 WeakPolarHBondContact O-CB 3.32Å; M307-E310 PolarHBondContact O-N 3.08Å; M307-E310 VanDerWaalsContact O-N 3.15Å; M307-E310 HydrophobicContact SD-CG 4.29Å; M307-A314 HydrophobicContact CE-CB 4.26Å; M307-Y315 HydrophobicContact CB-CD1 3.9Å; M307-Y315 HydrophobicContact CB-CD2 3.63Å; M307-Y315 HydrophobicContact CB-CE1 4.4Å; M307-Y315 HydrophobicContact CB-CE2 4.13Å; M307-Y315 HydrophobicContact CB-CG 3.48Å; M307-Y315 VanDerWaalsContact CB-CG 3.48Å; M307-Y315 HydrophobicContact CG-CD2 4.17Å; M307-Y315 HydrophobicContact CG-CG 4.45Å
308	L	95.3	Very high	93.9	Very high	70 Å²	70	66.3 Å²	66.3	37%	0.366	33%	0.332	S	S	.	.	H	α-helix	trans	-58.3	-34.6	170.3	-78.7	177.7	0	0	0	112.4	H304 L305 K306 E310 G311 Y315 E317	H304-L308 WeakPolarHBondContact NE2-CD1 3.33Å; H304-L308 WeakPolarHBondContact O-CG 3.37Å; H304-L308 PolarHBondContact O-N 2.98Å; L305-L308 HydrophobicContact CD2-CD1 4.46Å; K306-L308 VanDerWaalsContact C-N 3.34Å; K306-L308 PolarHBondContact O-N 2.84Å; L308-E310 VanDerWaalsContact C-N 3.34Å; L308-G311 PolarHBondContact O-N 3.3Å; L308-Y315 HydrophobicContact CD2-CD1 4.26Å; L308-Y315 HydrophobicContact CD2-CE1 4.3Å; L308-Y315 HydrophobicContact CG-CE1 4.47Å; L308-E317 HydrophobicContact CD2-CB 4.42Å
309	R	95.4	Very high	93.6	Very high	182 Å²	182	65 Å²	65	69%	0.687	32%	0.316	S	S	*	.	H	α-helix	trans	-71.5	-26.6	177.6	-63.8	-174.1	-65.5	-91.4	10.9	113.3	L305 K306 M307 G311	L305-R309 PolarHBondContact O-NH1 3.49Å; K306-R309 WeakPolarHBondContact O-CB 3.21Å; K306-R309 PolarHBondContact O-N 3.19Å; K306-R309 VanDerWaalsContact O-N 3.1Å; M307-R309 PolarHBondContact O-N 3.35Å; R309-G311 PolarHBondContact O-N 2.87Å
310	E	91.9	Very high	93.5	Very high	121 Å²	121	62.7 Å²	62.7	57%	0.565	31%	0.306	S	S	*	.	H	α-helix	trans	-72.5	-15.1	174.8	-56.6	-62.1	154.3	0	0	112.3	M307 L308 A314	M307-E310 HydrophobicContact CE-CB 4.37Å; M307-E310 HydrophobicContact CE-CG 4.24Å; M307-E310 WeakPolarHBondContact O-CB 3.32Å; M307-E310 PolarHBondContact O-N 3.08Å; M307-E310 VanDerWaalsContact O-N 3.15Å; M307-E310 HydrophobicContact SD-CG 4.29Å; L308-E310 VanDerWaalsContact C-N 3.34Å; E310-A314 HydrophobicContact CB-CB 3.9Å
311	G	89.4	Confident	93.5	Very high	29 Å²	29	63 Å²	63	30%	0.299	31%	0.307	S	S	.	.			trans	84.3	167.7	174	0	0	0	0	0	115	L308 R309 Q313 A314 Y315	L308-G311 PolarHBondContact O-N 3.3Å; R309-G311 PolarHBondContact O-N 2.87Å; G311-Q313 PolarHBondContact O-N 3.29Å; G311-A314 PolarHBondContact O-N 2.93Å; G311-Y315 PolarHBondContact O-N 2.78Å
312	K	87.4	Confident	93.5	Very high	151 Å²	151	61 Å²	61	66%	0.657	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-20	-170.9	-70.3	-169.2	176.4	-172.3	0	115.6	R72 A314 Y315	R72-K312 PolarHBondContact NH1-O 3.33Å; K312-A314 VanDerWaalsContact C-N 3.32Å; K312-Y315 WeakPolarHBondContact CA-O 3.35Å
313	Q	83.7	Confident	93.6	Very high	114 Å²	114	57 Å²	57	53%	0.533	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-26.6	176.7	-61.7	-57.8	-29.1	0	0	112.4	R72 G311	R72-Q313 WeakPolarHBondContact CD-O 3.4Å; G311-Q313 PolarHBondContact O-N 3.29Å
314	A	84.1	Confident	93.7	Very high	31 Å²	31	55.5 Å²	55.5	26%	0.256	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-40.8	174.7	0	0	0	0	0	111.4	R72 M307 E310 G311 K312	R72-A314 CarbonylContact C-O 3.52Å; R72-A314 WeakPolarHBondContact CG-O 3.46Å; M307-A314 HydrophobicContact CE-CB 4.26Å; E310-A314 HydrophobicContact CB-CB 3.9Å; G311-A314 PolarHBondContact O-N 2.93Å; K312-A314 VanDerWaalsContact C-N 3.32Å
315	Y	91.6	Very high	93.8	Very high	2 Å²	2	55.3 Å²	55.3	1%	0.008	27%	0.268	C	S	.	.			trans	-144.1	120.5	-173.3	-176.5	-94.2	0	0	0	113	F73 H304 M307 L308 G311 K312 E317 H320 Y321	F73-Y315 HydrophobicContact CB-CD2 4.07Å; F73-Y315 AromaticContact CD1-CD2 3.91Å; F73-Y315 HydrophobicContact CD1-CD2 3.91Å; F73-Y315 AromaticContact CD1-CE2 3.9Å; F73-Y315 HydrophobicContact CD1-CE2 3.9Å; F73-Y315 AromaticContact CD2-CD2 3.75Å; F73-Y315 HydrophobicContact CD2-CD2 3.75Å; F73-Y315 HydrophobicContact CD2-CE2 4.27Å; F73-Y315 HydrophobicContact CE1-CD2 4.2Å; F73-Y315 AromaticContact CE1-CE2 3.81Å; F73-Y315 HydrophobicContact CE1-CE2 3.81Å; F73-Y315 HydrophobicContact CE2-CD2 4.06Å; F73-Y315 HydrophobicContact CE2-CE2 4.2Å; F73-Y315 AromaticContact CG-CD2 3.63Å; F73-Y315 HydrophobicContact CG-CD2 3.63Å; F73-Y315 HydrophobicContact CG-CE2 4.1Å; F73-Y315 HydrophobicContact CZ-CD2 4.26Å; F73-Y315 AromaticContact CZ-CE2 3.95Å; F73-Y315 HydrophobicContact CZ-CE2 3.95Å; H304-Y315 AromaticContact CE1-CE1 3.97Å; H304-Y315 AromaticContact ND1-CE1 3.39Å; H304-Y315 WeakPolarHBondContact ND1-CE1 3.26Å; H304-Y315 AromaticContact ND1-CZ 3.58Å; H304-Y315 PolarHBondContact ND1-OH 3.34Å; M307-Y315 HydrophobicContact CB-CD1 3.9Å; M307-Y315 HydrophobicContact CB-CD2 3.63Å; M307-Y315 HydrophobicContact CB-CE1 4.4Å; M307-Y315 HydrophobicContact CB-CE2 4.13Å; M307-Y315 HydrophobicContact CB-CG 3.48Å; M307-Y315 VanDerWaalsContact CB-CG 3.48Å; M307-Y315 HydrophobicContact CG-CD2 4.17Å; M307-Y315 HydrophobicContact CG-CG 4.45Å; L308-Y315 HydrophobicContact CD2-CD1 4.26Å; L308-Y315 HydrophobicContact CD2-CE1 4.3Å; L308-Y315 HydrophobicContact CG-CE1 4.47Å; G311-Y315 PolarHBondContact O-N 2.78Å; K312-Y315 WeakPolarHBondContact CA-O 3.35Å; Y315-E317 HydrophobicContact CE1-CB 3.97Å; Y315-H320 HydrophobicContact CD2-CB 3.82Å; Y315-H320 AromaticContact CD2-ND1 3.63Å; Y315-H320 HydrophobicContact CE2-CB 3.48Å; Y315-H320 VanDerWaalsContact CE2-CB 3.48Å; Y315-H320 AromaticContact CG-ND1 3.99Å; Y315-Y321 WeakPolarHBondContact OH-CA 3.49Å; Y315-Y321 WeakPolarHBondContact OH-CB 3.49Å; Y315-Y321 VanDerWaalsContact OH-CD2 3.28Å; Y315-Y321 WeakPolarHBondContact OH-CD2 3.36Å
316	D	93.6	Very high	93.8	Very high	32 Å²	32	53.5 Å²	53.5	17%	0.171	26%	0.259	C	S	.	.			trans	-111.3	110.7	171.8	-173.2	-17.1	0	0	0	109.2	R72 N318 I319 H320	R72-D316 IonicContact NH2-OD2 3.78Å; D316-N318 PolarHBondContact O-N 3.22Å; D316-N318 WeakPolarHBondContact OD1-CB 3.17Å; D316-N318 PolarHBondContact OD1-N 3.06Å; D316-N318 VanDerWaalsContact OD1-N 3.08Å; D316-I319 HydrophobicContact CB-CB 4.3Å; D316-I319 HydrophobicContact CB-CD1 4.3Å; D316-I319 HydrophobicContact CB-CG1 4.34Å; D316-I319 PolarHBondContact O-N 3.42Å; D316-I319 WeakPolarHBondContact OD2-CD1 3.48Å; D316-H320 PolarHBondContact N-CE1 3.42Å; D316-H320 VanDerWaalsContact N-CE1 3.34Å; D316-H320 PolarHBondContact N-ND1 3.35Å; D316-H320 WeakPolarHBondContact O-CB 3.33Å; D316-H320 PolarHBondContact O-N 2.97Å; D316-H320 PolarHBondContact O-ND1 3.45Å
317	E	95.4	Very high	94	Very high	86 Å²	86	48 Å²	48	40%	0.402	24%	0.236	S	C	.	.	H	α-helix	trans	-58.3	-32.2	-178.4	68.4	-171.5	150.1	0	0	112.9	H304 L308 Y315 I319 Y321	H304-E317 IonicContact CE1-OE2 3.23Å; L308-E317 HydrophobicContact CD2-CB 4.42Å; Y315-E317 HydrophobicContact CE1-CB 3.97Å; E317-I319 PolarHBondContact O-N 2.95Å; E317-Y321 WeakPolarHBondContact O-CB 3.36Å; E317-Y321 PolarHBondContact O-N 2.99Å
318	N	95.1	Very high	94.1	Very high	63 Å²	63	49.2 Å²	49.2	34%	0.337	25%	0.245	S	C	.	.	H	α-helix	trans	-67.2	-20.4	178.4	177.4	64.9	0	0	0	112.1	R272 G273 D316	R272-N318 VanDerWaalsContact CA-O 3.26Å; R272-N318 WeakPolarHBondContact CA-O 3.37Å; R272-N318 PolarHBondContact N-O 3.24Å; R272-N318 PolarHBondContact N-OD1 3.4Å; G273-N318 PolarHBondContact N-ND2 3.3Å; G273-N318 PolarHBondContact N-OD1 2.98Å; D316-N318 PolarHBondContact O-N 3.22Å; D316-N318 WeakPolarHBondContact OD1-CB 3.17Å; D316-N318 PolarHBondContact OD1-N 3.06Å; D316-N318 VanDerWaalsContact OD1-N 3.08Å
319	I	91.9	Very high	94.1	Very high	33 Å²	33	48.2 Å²	48.2	17%	0.169	24%	0.237	C	C	.	.	H	α-helix	trans	-111	-28.7	-177.7	-58.1	178.4	0	0	0	111.3	V70 P270 D316 E317	V70-I319 HydrophobicContact CB-CG2 4.24Å; V70-I319 HydrophobicContact CG1-CG2 4.05Å; P270-I319 WeakPolarHBondContact CG-O 3.11Å; D316-I319 HydrophobicContact CB-CB 4.3Å; D316-I319 HydrophobicContact CB-CD1 4.3Å; D316-I319 HydrophobicContact CB-CG1 4.34Å; D316-I319 PolarHBondContact O-N 3.42Å; D316-I319 WeakPolarHBondContact OD2-CD1 3.48Å; E317-I319 PolarHBondContact O-N 2.95Å
320	H	94.3	Very high	93.5	Very high	6 Å²	6	40.3 Å²	40.3	3%	0.028	21%	0.213	C	C	.	.	H	α-helix	trans	-116.5	-25.3	-168.5	-53.1	144.8	0	0	0	115	V70 F73 Y315 D316 P322	V70-H320 PolarHBondContact O-NE2 3.48Å; F73-H320 HydrophobicContact CD1-CB 3.7Å; F73-H320 AromaticContact CD1-CG 3.91Å; F73-H320 HydrophobicContact CE1-CB 4.28Å; F73-H320 HydrophobicContact CG-CB 4.4Å; Y315-H320 HydrophobicContact CD2-CB 3.82Å; Y315-H320 AromaticContact CD2-ND1 3.63Å; Y315-H320 HydrophobicContact CE2-CB 3.48Å; Y315-H320 VanDerWaalsContact CE2-CB 3.48Å; Y315-H320 AromaticContact CG-ND1 3.99Å; D316-H320 PolarHBondContact N-CE1 3.42Å; D316-H320 VanDerWaalsContact N-CE1 3.34Å; D316-H320 PolarHBondContact N-ND1 3.35Å; D316-H320 WeakPolarHBondContact O-CB 3.33Å; D316-H320 PolarHBondContact O-N 2.97Å; D316-H320 PolarHBondContact O-ND1 3.45Å; H320-P322 WeakPolarHBondContact O-CD 3.36Å
321	Y	97.8	Very high	92.6	Very high	6 Å²	6	40.6 Å²	40.6	2%	0.024	23%	0.225	C	C	.	.			trans	-86.8	109.3	-177.6	-169.7	-116	0	0	0	110.4	F76 P270 Q294 V300 W301 H304 Y315 E317 L323	F76-Y321 HydrophobicContact CE1-CD2 4.42Å; F76-Y321 HydrophobicContact CZ-CD2 4.15Å; P270-Y321 WeakPolarHBondContact CA-O 3.45Å; P270-Y321 WeakPolarHBondContact CB-O 3.45Å; Q294-Y321 HydrophobicContact CG-CE1 4.11Å; Q294-Y321 WeakPolarHBondContact O-CE1 3.43Å; Q294-Y321 PolarHBondContact O-OH 3.31Å; V300-Y321 HydrophobicContact CG1-CE2 3.92Å; W301-Y321 HydrophobicContact CE3-CE1 4.47Å; W301-Y321 HydrophobicContact CE3-CE2 4.41Å; W301-Y321 AromaticContact CE3-CZ 3.85Å; W301-Y321 HydrophobicContact CZ3-CE1 4.14Å; W301-Y321 AromaticContact CZ3-CZ 3.96Å; H304-Y321 HydrophobicContact CB-CD2 3.65Å; H304-Y321 HydrophobicContact CB-CE2 3.52Å; H304-Y321 AromaticContact CE1-CG 3.98Å; H304-Y321 AromaticContact CG-CD2 3.52Å; H304-Y321 AromaticContact CG-CE2 3.63Å; H304-Y321 AromaticContact ND1-CD2 3.51Å; H304-Y321 AromaticContact ND1-CG 3.74Å; Y315-Y321 WeakPolarHBondContact OH-CA 3.49Å; Y315-Y321 WeakPolarHBondContact OH-CB 3.49Å; Y315-Y321 VanDerWaalsContact OH-CD2 3.28Å; Y315-Y321 WeakPolarHBondContact OH-CD2 3.36Å; E317-Y321 WeakPolarHBondContact O-CB 3.36Å; E317-Y321 PolarHBondContact O-N 2.99Å; Y321-L323 HydrophobicContact CD1-CD2 4.1Å; Y321-L323 HydrophobicContact CE1-CD2 4.02Å; Y321-L323 PolarHBondContact O-N 3.06Å
322	P	98.1	Very high	91.4	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-71.3	127.8	174.9	26.6	-27.3	0	0	0	109.8	F76 V142 F268 Y296 H320	F76-P322 HydrophobicContact CE2-CG 4.43Å; V142-P322 HydrophobicContact CB-CG 3.8Å; V142-P322 HydrophobicContact CG1-CG 3.84Å; V142-P322 HydrophobicContact CG2-CG 3.81Å; F268-P322 HydrophobicContact CB-CB 4.3Å; F268-P322 HydrophobicContact CD1-CB 4.48Å; Y296-P322 VanDerWaalsContact CE1-O 3.26Å; Y296-P322 WeakPolarHBondContact CE1-O 3.49Å; Y296-P322 WeakPolarHBondContact OH-CG 3.46Å; Y296-P322 PolarHBondContact OH-O 3.11Å; H320-P322 WeakPolarHBondContact O-CD 3.36Å
323	L	98.6	Very high	90	Very high	21 Å²	21	43.3 Å²	43.3	11%	0.11	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	147	162.4	-63.8	170.3	0	0	0	108.5	F268 A269 L276 Q294 Y321	F268-L323 WeakPolarHBondContact CA-O 3.47Å; A269-L323 PolarHBondContact N-O 2.93Å; A269-L323 VanDerWaalsContact N-O 3.08Å; A269-L323 PolarHBondContact O-N 3.28Å; L276-L323 HydrophobicContact CD1-CB 3.97Å; L276-L323 HydrophobicContact CD1-CD1 3.91Å; L276-L323 HydrophobicContact CD1-CG 4.46Å; L276-L323 HydrophobicContact CD2-CD1 4.27Å; Q294-L323 HydrophobicContact CB-CD2 4.1Å; Q294-L323 HydrophobicContact CG-CD2 3.92Å; Y321-L323 HydrophobicContact CD1-CD2 4.1Å; Y321-L323 HydrophobicContact CE1-CD2 4.02Å; Y321-L323 PolarHBondContact O-N 3.06Å
324	L	98.8	Very high	88.6	Confident	3 Å²	3	44 Å²	44	2%	0.016	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	119.8	169.3	166.3	59.4	0	0	0	108.7	Y146 L266 F268 Q292 H293 Y296 T326	Y146-L324 HydrophobicContact CE1-CD2 4.42Å; Y146-L324 HydrophobicContact CE2-CD2 4.03Å; L266-L324 HydrophobicContact CB-CD1 4.41Å; L266-L324 HydrophobicContact CD2-CD1 4.3Å; F268-L324 HydrophobicContact CD1-CB 4.38Å; F268-L324 HydrophobicContact CD2-CD1 4.27Å; F268-L324 HydrophobicContact CE1-CB 3.94Å; F268-L324 HydrophobicContact CE1-CD1 4.17Å; F268-L324 HydrophobicContact CE1-CG 4.45Å; F268-L324 HydrophobicContact CE2-CD1 3.71Å; F268-L324 HydrophobicContact CZ-CB 4.26Å; F268-L324 HydrophobicContact CZ-CD1 3.65Å; F268-L324 HydrophobicContact CZ-CD2 4.28Å; F268-L324 HydrophobicContact CZ-CG 4.26Å; Q292-L324 CarbonylContact C-O 3.58Å; H293-L324 HydrophobicContact CB-CB 4.2Å; H293-L324 HydrophobicContact CB-CD2 4.43Å; H293-L324 HydrophobicContact CB-CG 4.39Å; H293-L324 PolarHBondContact N-O 3.34Å; H293-L324 PolarHBondContact O-N 3.18Å; H293-L324 VanDerWaalsContact O-N 3.12Å; Y296-L324 HydrophobicContact CD1-CB 3.48Å; Y296-L324 VanDerWaalsContact CD1-CB 3.48Å; Y296-L324 HydrophobicContact CD2-CB 4.43Å; Y296-L324 HydrophobicContact CE1-CB 3.92Å; Y296-L324 HydrophobicContact CG-CB 3.77Å; Y296-L324 HydrophobicContact CG-CD2 4.09Å; L324-T326 HydrophobicContact CD1-CG2 4.03Å; L324-T326 HydrophobicContact CD2-CG2 4.35Å; L324-T326 HydrophobicContact CG-CG2 4.13Å
325	V	98.8	Very high	87	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	124.6	167.8	179.7	0	0	0	0	108.5	V267 L276 V290 C291 Q292 L327	V267-V325 HydrophobicContact CB-CB 4.22Å; V267-V325 PolarHBondContact N-O 2.95Å; V267-V325 PolarHBondContact O-N 3.29Å; L276-V325 HydrophobicContact CD1-CG2 4.27Å; L276-V325 HydrophobicContact CD2-CG2 4.35Å; L276-V325 HydrophobicContact CG-CG2 4.42Å; V290-V325 HydrophobicContact CG1-CG1 3.66Å; C291-V325 CarbonylContact O-C 3.59Å; C291-V325 WeakPolarHBondContact O-CA 3.28Å; Q292-V325 HydrophobicContact CG-CG2 4.27Å; V325-L327 HydrophobicContact CG1-CD2 3.91Å; V325-L327 HydrophobicContact CG1-CG 4.3Å
326	T	98.7	Very high	84.8	Confident	25 Å²	25	58.1 Å²	58.1	15%	0.153	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	137.7	171.6	60.5	0	0	0	0	109.9	A265 L266 C291 H293 L324	A265-T326 WeakPolarHBondContact O-CA 3.37Å; L266-T326 HydrophobicContact CD2-CG2 3.91Å; C291-T326 WeakPolarHBondContact CB-OG1 3.49Å; C291-T326 PolarHBondContact N-O 3.22Å; C291-T326 PolarHBondContact O-N 3.45Å; H293-T326 PolarHBondContact NE2-OG1 3.15Å; L324-T326 HydrophobicContact CD1-CG2 4.03Å; L324-T326 HydrophobicContact CD2-CG2 4.35Å; L324-T326 HydrophobicContact CG-CG2 4.13Å
327	L	98.7	Very high	82.5	Confident	0 Å²	0	61 Å²	61	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	134.2	-179.3	-54.3	171.2	0	0	0	109.9	I255 M264 A265 V267 F279 A283 L288 C289 V290 V325	I255-L327 HydrophobicContact CD1-CD1 4.25Å; I255-L327 HydrophobicContact CG2-CD1 4.03Å; M264-L327 CarbonylContact C-O 3.52Å; M264-L327 WeakPolarHBondContact CA-O 3.03Å; A265-L327 HydrophobicContact CB-CB 4.01Å; A265-L327 HydrophobicContact CB-CD1 4.26Å; A265-L327 PolarHBondContact N-O 3.3Å; A265-L327 PolarHBondContact O-N 2.99Å; V267-L327 HydrophobicContact CG2-CD1 4.09Å; F279-L327 HydrophobicContact CE1-CD1 3.96Å; F279-L327 HydrophobicContact CZ-CD1 3.79Å; A283-L327 HydrophobicContact CB-CD2 4Å; L288-L327 HydrophobicContact CD1-CB 4.47Å; L288-L327 HydrophobicContact CD1-CD1 4.25Å; C289-L327 VanDerWaalsContact O-CA 3.29Å; C289-L327 WeakPolarHBondContact O-CA 3.41Å; V290-L327 HydrophobicContact CB-CD2 4.03Å; V290-L327 HydrophobicContact CG1-CD2 3.85Å; V290-L327 HydrophobicContact CG2-CD2 3.54Å; V325-L327 HydrophobicContact CG1-CD2 3.91Å; V325-L327 HydrophobicContact CG1-CG 4.3Å
328	T	98.3	Very high	79.8	Confident	58 Å²	58	69.7 Å²	69.7	36%	0.356	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	158	169.4	61.2	0	0	0	0	109.6	M264 L288 C289 G330	M264-T328 HydrophobicContact CB-CG2 4.28Å; M264-T328 HydrophobicContact CG-CG2 4.38Å; L288-T328 CarbonylContact C-O 3.54Å; L288-T328 WeakPolarHBondContact CA-O 3.35Å; C289-T328 PolarHBondContact N-O 3.5Å; C289-T328 PolarHBondContact O-N 2.96Å; C289-T328 VanDerWaalsContact O-N 3.09Å; T328-G330 PolarHBondContact O-N 3.01Å
329	K	95.3	Very high	79	Confident	49 Å²	49	70.1 Å²	70.1	21%	0.213	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	138.6	169.6	-67.8	-171.9	176.7	-173.1	0	109.3	R256 L259 L288	R256-K329 WeakPolarHBondContact O-CE 3.43Å; R256-K329 PolarHBondContact O-NZ 3.15Å; R256-K329 VanDerWaalsContact O-NZ 3.13Å; L259-K329 WeakPolarHBondContact O-CE 3.22Å; L259-K329 PolarHBondContact O-NZ 3.21Å; L288-K329 HydrophobicContact CD2-CG 4.26Å
330	G	82.3	Confident	78.3	Confident	17 Å²	17	72 Å²	72	18%	0.175	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-62	166.1	172.6	0	0	0	0	0	112	G287 T328 Q332	G287-G330 PolarHBondContact O-N 3.3Å; G287-G330 VanDerWaalsContact O-N 3.08Å; T328-G330 PolarHBondContact O-N 3.01Å; G330-Q332 PolarHBondContact O-N 3.44Å; G330-Q332 VanDerWaalsContact O-N 3.07Å
331	P	73.3	Confident	77.4	Confident	126 Å²	126	75.7 Å²	75.7	82%	0.818	42%	0.422	S	S	*	.	P	Polyproline II helix	trans	-53.4	118.9	175.8	-19.3	30	0	0	0	109.4
332	Q	64.4	Low	76.2	Confident	136 Å²	136	79.8 Å²	79.8	64%	0.636	45%	0.445	S	S	*	.	P	Polyproline II helix	trans	-68.3	133.2	169.5	-68.3	-68.6	-41.5	0	0	107.2	G330 V334	G330-Q332 PolarHBondContact O-N 3.44Å; G330-Q332 VanDerWaalsContact O-N 3.07Å; Q332-V334 PolarHBondContact O-N 3.13Å; Q332-V334 VanDerWaalsContact O-N 3.09Å
333	P	57.6	Low	74.9	Confident	102 Å²	102	84.8 Å²	84.8	66%	0.662	47%	0.473	S	S	*	.	P	Polyproline II helix	trans	-55.5	124	168.5	22.2	-29	0	0	0	107.3	N335	P333-N335 VanDerWaalsContact C-N 3.34Å; P333-N335 PolarHBondContact O-N 2.61Å
334	V	53.9	Low	73.3	Confident	128 Å²	128	89 Å²	89	78%	0.776	50%	0.498	S	S	*	.			trans	-61.9	104.1	172.2	-178.4	0	0	0	0	105.2	Q332 Q336	Q332-V334 PolarHBondContact O-N 3.13Å; Q332-V334 VanDerWaalsContact O-N 3.09Å; V334-Q336 PolarHBondContact O-N 3.26Å
335	N	50.4	Low	71.5	Confident	146 Å²	146	95.1 Å²	95.1	78%	0.781	53%	0.532	S	S	*	.			trans	-61.1	99.8	163.8	-85.9	-13.8	0	0	0	105.6	P333 A337	P333-N335 VanDerWaalsContact C-N 3.34Å; P333-N335 PolarHBondContact O-N 2.61Å; N335-A337 PolarHBondContact O-N 3.14Å
336	Q	44.8	Very low	69.4	Low	184 Å²	184	102.5 Å²	102.5	86%	0.86	57%	0.573	S	S	*	*			trans	-64.7	82.3	157.6	-74.2	-175.6	-12.8	0	0	105.9	V334	V334-Q336 PolarHBondContact O-N 3.26Å
337	A	45.9	Very low	66.9	Low	92 Å²	92	108.9 Å²	108.9	76%	0.76	61%	0.608	S	S	*	*			trans	-70.8	127.6	162.5	0	0	0	0	0	106.8	N335	N335-A337 PolarHBondContact O-N 3.14Å
338	Q	38.4	Very low	64	Low	269 Å²	269	118.8 Å²	118.8	100%	1.257	66%	0.663	S	S	*	*			trans	-55.3	0	-173.4	-68.6	172.6	-34.9	0	0	114.5

Retrieved 338 of 338 residues in 225.7 ms (Link to these results)

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