A0A096NY90_PAPAN Loading...

UBX domain-containing protein 2A

Acts to repress the ubiquitination and subsequent endoplasmic reticulum-associated degradation of CHRNA3 by the STUB1-VCP-UBXN2A complex in cortical neurons. Also acts to promote the translocation of CHRNA3 to the plasma membrane and subsequently increases plasma membrane acetylcholine-gated ion-channel activation. Plays a role in the inhibition of STUB1-mediated TP53 degradation, via its interaction with HSPA9 which acts to inhibit TP53 binding to HSPA9. Positively mediates the ubiquitination and proteosomal degradation of RICTOR, may thereby act as a negative regulator of the mTORC2 pathway.

AlphaFold DB (A0A5F7ZW33), UniProt , Accession A0A096NY90, Species PAPAN (Papio anubis, Olive baboon), Gene UBXN2A, Length 260 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.6	Very low	38.8	Very low	229 Å²	229	150.5 Å²	150.5	100%	1.128	78%	0.777	S	S	*	*				0	106.9	0	-163.1	95.8	165.6	0	0	106.3
2	K	42.5	Very low	38.3	Very low	175 Å²	175	152.7 Å²	152.7	76%	0.761	78%	0.781	S	S	*	*			trans	68.6	123.4	174.5	-58.6	178.3	177.6	-178.6	0	115
3	D	35.4	Very low	37.6	Very low	144 Å²	144	153.4 Å²	153.4	77%	0.77	78%	0.779	S	S	*	*			cis	62.4	137.1	49.4	-47.5	-53.2	0	0	0	110.2
4	V	41.6	Very low	37	Very low	120 Å²	120	160.1 Å²	160.1	73%	0.727	79%	0.791	S	S	*	*			cis	-151.9	178.2	2.8	-114.2	0	0	0	0	106.4
5	D	41.8	Very low	36.4	Very low	124 Å²	124	156.8 Å²	156.8	66%	0.663	78%	0.782	S	S	*	*			cis	-154.1	145.6	5	-116.8	-38.1	0	0	0	104.9
6	N	37.3	Very low	35.9	Very low	105 Å²	105	154.3 Å²	154.3	56%	0.561	78%	0.783	S	S	*	*				69.5	111.8	72.8	-174	6.3	0	0	0	115.3	K8	N6-K8 PolarHBondContact OD1-N 3.07Å
7	L	43.3	Very low	35.4	Very low	177 Å²	177	156.3 Å²	156.3	93%	0.927	79%	0.788	S	S	*	*			trans	-140.2	109.2	137.6	-164	68	0	0	0	110.4
8	K	35	Very low	35.5	Very low	163 Å²	163	155.7 Å²	155.7	71%	0.709	79%	0.794	S	S	*	*			trans	-72.5	150.3	174.3	-78.6	174	179.1	177.6	0	112.1	N6	N6-K8 PolarHBondContact OD1-N 3.07Å
9	S	35.2	Very low	35.2	Very low	110 Å²	110	151.7 Å²	151.7	77%	0.769	80%	0.796	S	S	*	*			trans	54.7	144.4	131.9	-137.4	0	0	0	0	118.2
10	V	36.1	Very low	35.2	Very low	111 Å²	111	149.6 Å²	149.6	67%	0.673	79%	0.794	S	S	*	*				-152.7	139.6	52.3	161.2	0	0	0	0	111	Q12	V10-Q12 HydrophobicContact CG1-CB 4.28Å
11	K	40.8	Very low	35.1	Very low	198 Å²	198	149 Å²	149	86%	0.861	79%	0.791	S	S	*	*			trans	-86.7	112.5	165.2	-171	-172.8	-171.9	-168.2	0	106.9
12	Q	33.3	Very low	35	Very low	176 Å²	176	146.1 Å²	146.1	82%	0.822	78%	0.78	S	S	*	*			trans	-103.8	110.7	-177.2	-145.4	162.5	-2.7	0	0	111.5	V10	V10-Q12 HydrophobicContact CG1-CB 4.28Å
13	E	28.6	Very low	34.6	Very low	162 Å²	162	147.1 Å²	147.1	76%	0.757	79%	0.788	S	S	*	*			trans	-79.3	134.2	-177.8	-162.7	163.5	140.1	0	0	109.5	V15	E13-V15 PolarHBondContact O-N 3.4Å
14	W	29.8	Very low	35.1	Very low	248 Å²	248	145.3 Å²	145.3	94%	0.939	78%	0.784	S	S	*	*			trans	-82	113.8	178.5	-78.8	68.8	0	0	0	109.8
15	V	27.2	Very low	34.7	Very low	110 Å²	110	147.7 Å²	147.7	67%	0.667	79%	0.792	S	S	*	*			trans	-114.4	124.5	171.2	-179.3	0	0	0	0	108.2	E13 E17	E13-V15 PolarHBondContact O-N 3.4Å; V15-E17 HydrophobicContact CG1-CG 4.22Å
16	C	28.1	Very low	34.3	Very low	117 Å²	117	146.6 Å²	146.6	79%	0.791	79%	0.794	S	S	*	*			trans	-97.6	107.8	169.9	-63	0	0	0	0	108.7
17	E	27.8	Very low	34.3	Very low	188 Å²	188	148.1 Å²	148.1	88%	0.879	80%	0.802	S	S	*	*			trans	-88.7	143.9	169	-74.8	-173.2	126.1	0	0	111.4	V15	V15-E17 HydrophobicContact CG1-CG 4.22Å
18	T	38.4	Very low	34.7	Very low	145 Å²	145	146.5 Å²	146.5	89%	0.89	80%	0.795	S	S	*	*			trans	-116.2	135.3	-178.6	48.8	0	0	0	0	111.8
19	G	29.8	Very low	35.4	Very low	80 Å²	80	146 Å²	146	83%	0.825	80%	0.795	S	S	*	*			trans	144	150.4	169.4	0	0	0	0	0	111.3
20	S	33.4	Very low	36.3	Very low	110 Å²	110	149 Å²	149	77%	0.769	80%	0.797	S	S	*	*			cis	-151.6	166.9	-13.9	-153.2	0	0	0	0	108.4
21	D	34.1	Very low	37.2	Very low	136 Å²	136	148.2 Å²	148.2	73%	0.727	80%	0.796	S	S	*	*			trans	-31.1	146	179.5	-48.1	-77.7	0	0	0	118.8
22	N	34.9	Very low	37.7	Very low	169 Å²	169	144 Å²	144	90%	0.904	78%	0.783	S	S	*	*				-154.7	129.9	130	-92.3	-55.5	0	0	0	110.5
23	Q	34.9	Very low	38.6	Very low	196 Å²	196	139.6 Å²	139.6	92%	0.916	77%	0.771	S	S	*	*			trans	-84.8	164.8	-179.5	-99.2	-169.8	-106.2	0	0	112.9
24	P	46.7	Very low	39.6	Very low	107 Å²	107	138.4 Å²	138.4	70%	0.695	77%	0.765	S	S	*	*			trans	-101.8	160.9	-148	38.8	-37.4	0	0	0	114.6
25	L	31.4	Very low	40.7	Very low	170 Å²	170	135.2 Å²	135.2	89%	0.89	75%	0.754	S	S	*	*			trans	-151.2	113.4	159.3	-104.8	167.3	0	0	0	113
26	S	35	Very low	41.9	Very low	101 Å²	101	137 Å²	137	71%	0.706	75%	0.753	S	S	*	*			trans	64.4	113.7	139.7	-145.5	0	0	0	0	122.8
27	N	36	Very low	43.4	Very low	136 Å²	136	134.8 Å²	134.8	73%	0.727	74%	0.736	S	S	*	*				100.9	118.5	127.9	-120.8	-0.9	0	0	0	122.4
28	N	51.6	Low	45	Very low	144 Å²	144	130.7 Å²	130.7	77%	0.77	72%	0.72	S	S	*	*			trans	55.1	78.4	146.9	-76.6	-24	0	0	0	121
29	Q	51	Low	46.3	Very low	152 Å²	152	126.9 Å²	126.9	71%	0.71	70%	0.699	S	S	*	*			trans	-146.4	34	145.5	-148.3	163.1	8.5	0	0	114.3	S31	Q29-S31 PolarHBondContact O-N 3.27Å
30	Q	53	Low	48	Very low	174 Å²	174	128 Å²	128	81%	0.813	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.7	-5.9	-169.7	-156.7	96.1	6	0	0	115.5
31	S	56.2	Low	49.3	Very low	94 Å²	94	130.3 Å²	130.3	66%	0.657	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.3	-0.5	-177.1	83.9	0	0	0	0	115.8	Q29	Q29-S31 PolarHBondContact O-N 3.27Å
32	N	49.8	Very low	50.6	Low	109 Å²	109	130.7 Å²	130.7	58%	0.583	68%	0.679	S	S	*	*	S	Bend	trans	-103.2	-9.8	177.5	-95	-58.2	0	0	0	113.5
33	C	52.8	Low	51.8	Low	84 Å²	84	128.7 Å²	128.7	57%	0.568	67%	0.665	S	S	*	*	H	α-helix	trans	-88.5	-31.9	-175.5	-61.4	0	0	0	0	113.2	V37	C33-V37 PolarHBondContact O-N 3.21Å
34	E	50.7	Low	52.9	Low	137 Å²	137	122.3 Å²	122.3	64%	0.64	65%	0.645	S	S	*	*	H	α-helix	trans	-67.1	-49.6	178.6	-67.6	-176.8	147.4	0	0	111.5	F36 V37 D38	E34-F36 PolarHBondContact O-N 3.44Å; E34-V37 WeakPolarHBondContact O-CG2 3.33Å; E34-V37 PolarHBondContact O-N 3.39Å; E34-D38 PolarHBondContact O-N 2.66Å
35	Y	52.6	Low	53.5	Low	181 Å²	181	125.2 Å²	125.2	71%	0.71	65%	0.65	S	S	*	*	H	α-helix	trans	-59.7	-30.6	177.1	-83.9	-79.2	0	0	0	114.4	S39	Y35-S39 WeakPolarHBondContact O-CB 3.44Å; Y35-S39 PolarHBondContact O-N 3.03Å; Y35-S39 VanDerWaalsContact O-N 3.1Å; Y35-S39 PolarHBondContact O-OG 3.5Å
36	F	52.7	Low	55	Low	148 Å²	148	126 Å²	126	65%	0.649	65%	0.646	S	S	*	*	H	α-helix	trans	-75	-41	179.3	-173.4	-98.5	0	0	0	112.1	E34 L40	E34-F36 PolarHBondContact O-N 3.44Å; F36-L40 WeakPolarHBondContact O-CB 3.5Å; F36-L40 PolarHBondContact O-N 2.99Å
37	V	59.6	Low	56	Low	69 Å²	69	126.4 Å²	126.4	42%	0.418	64%	0.644	S	S	.	*	H	α-helix	trans	-69.9	-39.6	175.9	-62.8	0	0	0	0	111.5	C33 E34 L40 F41	C33-V37 PolarHBondContact O-N 3.21Å; E34-V37 WeakPolarHBondContact O-CG2 3.33Å; E34-V37 PolarHBondContact O-N 3.39Å; V37-L40 WeakPolarHBondContact O-CB 3.38Å; V37-L40 PolarHBondContact O-N 3.48Å; V37-F41 WeakPolarHBondContact O-CD2 3.37Å; V37-F41 PolarHBondContact O-N 2.81Å
38	D	59.9	Low	56.3	Low	102 Å²	102	122.2 Å²	122.2	55%	0.545	63%	0.632	S	S	.	*	H	α-helix	trans	-65.5	-42.3	178.7	-70.8	-19.7	0	0	0	111.5	E34 L40 F41 E42	E34-D38 PolarHBondContact O-N 2.66Å; D38-L40 VanDerWaalsContact C-N 3.34Å; D38-L40 PolarHBondContact O-N 3.33Å; D38-F41 PolarHBondContact O-N 2.94Å; D38-E42 WeakPolarHBondContact O-CB 3.19Å; D38-E42 PolarHBondContact O-N 3.4Å
39	S	65.4	Low	55.9	Low	65 Å²	65	120 Å²	120	46%	0.455	63%	0.628	S	S	.	*	H	α-helix	trans	-63.3	-38.6	173.2	-65.7	0	0	0	0	112.2	Y35 E42 E43	Y35-S39 WeakPolarHBondContact O-CB 3.44Å; Y35-S39 PolarHBondContact O-N 3.03Å; Y35-S39 VanDerWaalsContact O-N 3.1Å; Y35-S39 PolarHBondContact O-OG 3.5Å; S39-E42 PolarHBondContact O-N 3.45Å; S39-E43 VanDerWaalsContact O-CB 3.24Å; S39-E43 WeakPolarHBondContact O-CB 3.47Å; S39-E43 PolarHBondContact O-N 3.3Å
40	L	65.5	Low	55.3	Low	105 Å²	105	122.7 Å²	122.7	55%	0.55	64%	0.638	S	S	.	*	H	α-helix	trans	-65	-39.1	175.9	-171.8	68.8	0	0	0	111.9	F36 V37 D38 A44	F36-L40 WeakPolarHBondContact O-CB 3.5Å; F36-L40 PolarHBondContact O-N 2.99Å; V37-L40 WeakPolarHBondContact O-CB 3.38Å; V37-L40 PolarHBondContact O-N 3.48Å; D38-L40 VanDerWaalsContact C-N 3.34Å; D38-L40 PolarHBondContact O-N 3.33Å; L40-A44 WeakPolarHBondContact O-CB 3.29Å; L40-A44 PolarHBondContact O-N 3.18Å
41	F	60.6	Low	54.6	Low	158 Å²	158	119.6 Å²	119.6	69%	0.693	63%	0.634	S	S	*	*	H	α-helix	trans	-69.2	-42.8	175.5	-91.3	-75.5	0	0	0	112.2	V37 D38 A44 Q45	V37-F41 WeakPolarHBondContact O-CD2 3.37Å; V37-F41 PolarHBondContact O-N 2.81Å; D38-F41 PolarHBondContact O-N 2.94Å; F41-A44 PolarHBondContact O-N 2.87Å; F41-Q45 WeakPolarHBondContact O-CB 3.46Å; F41-Q45 PolarHBondContact O-N 2.87Å
42	E	63	Low	54	Low	143 Å²	143	121.5 Å²	121.5	67%	0.668	64%	0.642	S	S	*	*	H	α-helix	trans	-68.1	-38.9	178.8	-164.7	169.4	-148.2	0	0	111.6	D38 S39 Q45 K46	D38-E42 WeakPolarHBondContact O-CB 3.19Å; D38-E42 PolarHBondContact O-N 3.4Å; S39-E42 PolarHBondContact O-N 3.45Å; E42-Q45 PolarHBondContact O-N 2.91Å; E42-K46 WeakPolarHBondContact O-CB 3.41Å; E42-K46 PolarHBondContact O-N 3.14Å
43	E	58.9	Low	53.6	Low	128 Å²	128	119.9 Å²	119.9	60%	0.598	64%	0.638	S	S	*	*	H	α-helix	trans	-71	-38	173.9	-168.1	156.9	-160.5	0	0	112	S39 Q45 K46 V47	S39-E43 VanDerWaalsContact O-CB 3.24Å; S39-E43 WeakPolarHBondContact O-CB 3.47Å; S39-E43 PolarHBondContact O-N 3.3Å; E43-Q45 VanDerWaalsContact C-N 3.29Å; E43-Q45 PolarHBondContact O-N 3.38Å; E43-K46 PolarHBondContact O-N 3.08Å; E43-V47 HydrophobicContact CG-CG2 4.14Å; E43-V47 WeakPolarHBondContact O-CB 3.39Å; E43-V47 WeakPolarHBondContact O-CG2 3.34Å; E43-V47 PolarHBondContact O-N 3.21Å
44	A	59.3	Low	53.3	Low	61 Å²	61	122.1 Å²	122.1	50%	0.504	65%	0.652	S	S	.	*	H	α-helix	trans	-65.7	-28.4	170.9	0	0	0	0	0	113.2	L40 F41 G48	L40-A44 WeakPolarHBondContact O-CB 3.29Å; L40-A44 PolarHBondContact O-N 3.18Å; F41-A44 PolarHBondContact O-N 2.87Å; A44-G48 WeakPolarHBondContact O-CA 3.43Å; A44-G48 PolarHBondContact O-N 3.18Å
45	Q	58.9	Low	52.9	Low	169 Å²	169	120.9 Å²	120.9	79%	0.79	65%	0.654	S	S	*	*	H	α-helix	trans	-76.5	-28.2	173.8	-161.8	173.7	26.3	0	0	112.2	F41 E42 E43	F41-Q45 WeakPolarHBondContact O-CB 3.46Å; F41-Q45 PolarHBondContact O-N 2.87Å; E42-Q45 PolarHBondContact O-N 2.91Å; E43-Q45 VanDerWaalsContact C-N 3.29Å; E43-Q45 PolarHBondContact O-N 3.38Å
46	K	62	Low	52.6	Low	187 Å²	187	120.2 Å²	120.2	81%	0.813	66%	0.658	S	S	*	*	H	α-helix	trans	-88.9	-33	-178.6	-167.7	178.2	-176.9	-178	0	114	E42 E43	E42-K46 WeakPolarHBondContact O-CB 3.41Å; E42-K46 PolarHBondContact O-N 3.14Å; E43-K46 PolarHBondContact O-N 3.08Å
47	V	56.3	Low	52.3	Low	109 Å²	109	122 Å²	122	66%	0.661	67%	0.668	S	S	*	*	S	Bend	trans	-99.4	-2.1	174.4	-168.7	0	0	0	0	111	E43 S49	E43-V47 HydrophobicContact CG-CG2 4.14Å; E43-V47 WeakPolarHBondContact O-CB 3.39Å; E43-V47 WeakPolarHBondContact O-CG2 3.34Å; E43-V47 PolarHBondContact O-N 3.21Å; V47-S49 PolarHBondContact O-N 3.08Å
48	G	42.5	Very low	52.1	Low	47 Å²	47	124.4 Å²	124.4	49%	0.485	67%	0.673	S	S	.	*			trans	-49.7	112.5	171.1	0	0	0	0	0	110.3	A44	A44-G48 WeakPolarHBondContact O-CA 3.43Å; A44-G48 PolarHBondContact O-N 3.18Å
49	S	43	Very low	52	Low	98 Å²	98	126.7 Å²	126.7	69%	0.685	68%	0.678	S	S	*	*			trans	-37.4	146.9	175.2	-58.9	0	0	0	0	111.3	V47 C51	V47-S49 PolarHBondContact O-N 3.08Å; S49-C51 PolarHBondContact O-N 2.89Å
50	K	37.9	Very low	51.8	Low	208 Å²	208	129 Å²	129	90%	0.904	68%	0.682	S	S	*	*			trans	-59.6	86.3	155.4	-80.3	-177.8	176.6	177.4	0	107.6	V52	K50-V52 PolarHBondContact O-N 2.64Å
51	C	39.2	Very low	52.2	Low	110 Å²	110	125.3 Å²	125.3	74%	0.743	66%	0.663	S	S	*	*			trans	-58.4	107.2	165.6	-71	0	0	0	0	104.9	S49 S53	S49-C51 PolarHBondContact O-N 2.89Å; C51-S53 PolarHBondContact O-N 3.02Å
52	V	44.3	Very low	53.1	Low	134 Å²	134	122.5 Å²	122.5	81%	0.812	66%	0.655	S	S	*	*			trans	-48.9	113.5	161.8	175.4	0	0	0	0	104.9	K50	K50-V52 PolarHBondContact O-N 2.64Å
53	S	41.1	Very low	54.1	Low	74 Å²	74	115.7 Å²	115.7	52%	0.517	62%	0.624	S	S	.	*			trans	-53.4	128.5	177.8	44	0	0	0	0	107.8	C51 T55	C51-S53 PolarHBondContact O-N 3.02Å; S53-T55 PolarHBondContact O-N 3.44Å
54	P	46.6	Very low	55.5	Low	132 Å²	132	112.3 Å²	112.3	86%	0.857	61%	0.61	S	S	*	*	S	Bend	trans	-73.7	56.8	171.6	32.6	-34.9	0	0	0	109.7
55	T	41	Very low	56.9	Low	110 Å²	110	109.5 Å²	109.5	68%	0.675	59%	0.586	S	S	*	*			trans	-142.7	24.6	-171.6	-28.4	0	0	0	0	111.5	S53	S53-T55 PolarHBondContact O-N 3.44Å
56	E	47.8	Very low	58.4	Low	168 Å²	168	104.1 Å²	104.1	79%	0.785	56%	0.56	S	S	*	*			trans	-127.5	66.9	147.6	-91.7	-177.3	136.7	0	0	107.9	K58	E56-K58 PolarHBondContact O-N 3.13Å
57	Q	46.2	Very low	59.7	Low	186 Å²	186	96.8 Å²	96.8	87%	0.869	53%	0.529	S	S	*	.			trans	-58.4	93.5	133.3	-74.9	-175	-16.7	0	0	105	K59	Q57-K59 PolarHBondContact O-N 3.37Å
58	K	55	Low	61.4	Low	118 Å²	118	93.2 Å²	93.2	51%	0.513	50%	0.504	S	S	.	.			trans	-53.5	99.4	151.7	-85.7	-168.4	174.6	179.9	0	104.3	E56 Q60 E110	E56-K58 PolarHBondContact O-N 3.13Å; K58-Q60 HydrophobicContact CB-CG 4.33Å; K58-Q60 PolarHBondContact O-N 3.16Å; K58-E110 HydrophobicContact CD-CB 4.38Å; K58-E110 WeakPolarHBondContact CD-OE2 3.3Å; K58-E110 WeakPolarHBondContact CE-OE2 3.27Å; K58-E110 IonicContact NZ-OE1 3.16Å; K58-E110 PolarHBondContact NZ-OE1 3.34Å; K58-E110 VanDerWaalsContact NZ-OE1 3.16Å; K58-E110 IonicContact NZ-OE2 2.74Å; K58-E110 PolarHBondContact NZ-OE2 3.4Å
59	K	57.4	Low	63.4	Low	150 Å²	150	98 Å²	98	65%	0.652	51%	0.511	S	S	*	.			trans	-51.2	124	161.6	-138.5	-176.3	169.8	-150.6	0	103.6	Q57 E109	Q57-K59 PolarHBondContact O-N 3.37Å; K59-E109 VanDerWaalsContact CB-CD 3.45Å; K59-E109 HydrophobicContact CB-CG 3.84Å; K59-E109 WeakPolarHBondContact CB-OE1 3.23Å; K59-E109 WeakPolarHBondContact CG-OE1 3.21Å; K59-E109 IonicContact NZ-OE2 3.88Å; K59-E109 WeakPolarHBondContact O-CG 3.37Å
60	Q	61.3	Low	65.5	Low	115 Å²	115	96.1 Å²	96.1	54%	0.537	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	124.5	-173.6	-88.2	177.5	-7.1	0	0	105.9	K58 E109 E110	K58-Q60 HydrophobicContact CB-CG 4.33Å; K58-Q60 PolarHBondContact O-N 3.16Å; Q60-E109 PolarHBondContact N-OE1 2.92Å; Q60-E110 VanDerWaalsContact CA-O 3.28Å; Q60-E110 WeakPolarHBondContact CA-O 3.39Å; Q60-E110 HydrophobicContact CG-CB 4.06Å; Q60-E110 HydrophobicContact CG-CG 4.49Å; Q60-E110 PolarHBondContact NE2-OE2 3Å
61	V	73.6	Confident	67.9	Low	27 Å²	27	86.2 Å²	86.2	16%	0.164	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	112.3	-179.5	-171.7	0	0	0	0	109.2	V63 F106 E109 E110 D112	V61-V63 HydrophobicContact CG1-CG2 4.34Å; V61-V63 PolarHBondContact O-N 3.18Å; V61-F106 HydrophobicContact CB-CD1 4.14Å; V61-F106 HydrophobicContact CB-CE1 4.04Å; V61-F106 HydrophobicContact CB-CG 4.48Å; V61-F106 HydrophobicContact CB-CZ 4.29Å; V61-F106 HydrophobicContact CG1-CD1 4.33Å; V61-F106 HydrophobicContact CG1-CE1 3.73Å; V61-F106 HydrophobicContact CG1-CE2 4.12Å; V61-F106 HydrophobicContact CG1-CZ 3.62Å; V61-F106 HydrophobicContact CG2-CD1 3.56Å; V61-F106 HydrophobicContact CG2-CE1 3.63Å; V61-F106 HydrophobicContact CG2-CG 4.26Å; V61-F106 HydrophobicContact CG2-CZ 4.35Å; V61-E109 HydrophobicContact CG2-CB 4.48Å; V61-E109 HydrophobicContact CG2-CG 3.92Å; V61-E109 WeakPolarHBondContact CG2-OE1 3.16Å; V61-E110 PolarHBondContact N-O 2.9Å; V61-E110 VanDerWaalsContact N-O 3.16Å; V61-D112 PolarHBondContact O-N 2.84Å
62	D	78.9	Confident	70.3	Confident	99 Å²	99	81 Å²	81	53%	0.529	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	114.2	165.1	-74.3	-62.4	0	0	0	110	K114	D62-K114 IonicContact OD1-NZ 2.93Å; D62-K114 PolarHBondContact OD1-NZ 3.11Å
63	V	84.5	Confident	72.4	Confident	0 Å²	0	75.2 Å²	75.2	0%	0	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	116.5	168.9	176.8	0	0	0	0	108.5	V61 I65 V74 N75 L102 F106 V111 D112 V113 K114	V61-V63 HydrophobicContact CG1-CG2 4.34Å; V61-V63 PolarHBondContact O-N 3.18Å; V63-I65 HydrophobicContact CG1-CD1 4.46Å; V63-I65 HydrophobicContact CG1-CG1 4.1Å; V63-V74 HydrophobicContact CG1-CG1 3.93Å; V63-N75 WeakPolarHBondContact CA-OD1 3.46Å; V63-L102 HydrophobicContact CB-CD1 4.46Å; V63-L102 HydrophobicContact CG1-CD1 4Å; V63-L102 HydrophobicContact CG1-CD2 4.07Å; V63-L102 HydrophobicContact CG2-CD1 4.32Å; V63-L102 HydrophobicContact CG2-CD2 4.11Å; V63-F106 HydrophobicContact CG2-CE2 4.24Å; V63-V111 HydrophobicContact CB-CG1 4.29Å; V63-V111 HydrophobicContact CG2-CG1 3.56Å; V63-D112 PolarHBondContact N-O 2.77Å; V63-V113 HydrophobicContact CB-CG2 4.45Å; V63-K114 PolarHBondContact O-N 3.49Å
64	N	87.9	Confident	74.6	Confident	57 Å²	57	72.3 Å²	72.3	31%	0.305	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	125.1	177.5	-173.7	-76.7	0	0	0	110.6	K66 N75	N64-K66 WeakPolarHBondContact OD1-CE 3.41Å; N64-K66 WeakPolarHBondContact OD1-CG 3.33Å; N64-N75 PolarHBondContact N-OD1 3.01Å; N64-N75 PolarHBondContact O-N 2.75Å
65	I	89.9	Confident	76.3	Confident	1 Å²	1	69.8 Å²	69.8	1%	0.005	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	116.4	179.7	-53.1	-177.5	0	0	0	109	V63 L67 F72 T73 V74 F89 I93 V113 K114 V115 E116	V63-I65 HydrophobicContact CG1-CD1 4.46Å; V63-I65 HydrophobicContact CG1-CG1 4.1Å; I65-L67 HydrophobicContact CG2-CD1 4.17Å; I65-F72 HydrophobicContact CG2-CD2 4.29Å; I65-T73 CarbonylContact C-O 3.53Å; I65-T73 VanDerWaalsContact CA-O 3.27Å; I65-T73 WeakPolarHBondContact CA-O 3.49Å; I65-V74 HydrophobicContact CG1-CG1 4.46Å; I65-V74 HydrophobicContact CG1-CG2 4.43Å; I65-V74 HydrophobicContact CG2-CG2 4.48Å; I65-F89 HydrophobicContact CD1-CE1 3.89Å; I65-F89 HydrophobicContact CD1-CZ 3.81Å; I65-I93 HydrophobicContact CD1-CD1 3.44Å; I65-I93 VanDerWaalsContact CD1-CD1 3.44Å; I65-V113 HydrophobicContact CD1-CG1 3.41Å; I65-V113 VanDerWaalsContact CD1-CG1 3.41Å; I65-V113 HydrophobicContact CG1-CG1 4.07Å; I65-K114 PolarHBondContact N-O 3.02Å; I65-V115 HydrophobicContact CB-CG2 4.45Å; I65-V115 CarbonylContact O-C 3.21Å; I65-V115 WeakPolarHBondContact O-CA 3.4Å; I65-E116 PolarHBondContact O-N 2.93Å
66	K	90.4	Very high	78.2	Confident	56 Å²	56	70.8 Å²	70.8	24%	0.243	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	125.8	177.3	-44.8	-176.7	177.7	168.8	0	110.2	N64 W68 F72 T73 E116	N64-K66 WeakPolarHBondContact OD1-CE 3.41Å; N64-K66 WeakPolarHBondContact OD1-CG 3.33Å; K66-W68 HydrophobicContact CB-CZ2 3.86Å; K66-W68 HydrophobicContact CD-CH2 4.35Å; K66-W68 HydrophobicContact CD-CZ2 3.78Å; K66-W68 HydrophobicContact CG-CZ2 4.43Å; K66-W68 PolarHBondContact O-NE1 2.77Å; K66-F72 CarbonylContact O-C 3.59Å; K66-F72 WeakPolarHBondContact O-CA 3.18Å; K66-F72 VanDerWaalsContact O-CB 3.3Å; K66-F72 WeakPolarHBondContact O-CB 3.46Å; K66-T73 WeakPolarHBondContact CB-OG1 3.24Å; K66-T73 PolarHBondContact N-O 2.86Å; K66-T73 PolarHBondContact O-N 3.02Å; K66-E116 WeakPolarHBondContact CA-O 3.46Å; K66-E116 HydrophobicContact CB-CB 4.42Å; K66-E116 WeakPolarHBondContact CD-OE2 3.25Å; K66-E116 WeakPolarHBondContact CE-OE2 3.21Å; K66-E116 HydrophobicContact CG-CB 4.12Å
67	L	89.9	Confident	80	Confident	33 Å²	33	66.5 Å²	66.5	17%	0.173	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	118.3	179.1	-76.9	76.7	0	0	0	110.2	I65 V115 E116 K118 K119	I65-L67 HydrophobicContact CG2-CD1 4.17Å; L67-V115 HydrophobicContact CD1-CG1 3.39Å; L67-E116 PolarHBondContact N-O 2.91Å; L67-K118 CarbonylContact O-C 3.56Å; L67-K118 WeakPolarHBondContact O-CA 2.89Å; L67-K118 WeakPolarHBondContact O-CB 3.43Å; L67-K118 PolarHBondContact O-N 3.34Å; L67-K119 PolarHBondContact O-N 2.83Å
68	W	90	Very high	81.9	Confident	35 Å²	35	60.2 Å²	60.2	13%	0.133	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	173.2	-177.5	-50.3	101	0	0	0	111.6	K66 N70 G71 T73 Y81 K118 E121 C123	K66-W68 HydrophobicContact CB-CZ2 3.86Å; K66-W68 HydrophobicContact CD-CH2 4.35Å; K66-W68 HydrophobicContact CD-CZ2 3.78Å; K66-W68 HydrophobicContact CG-CZ2 4.43Å; K66-W68 PolarHBondContact O-NE1 2.77Å; W68-N70 VanDerWaalsContact C-N 3.28Å; W68-N70 PolarHBondContact O-N 3.19Å; W68-G71 CarbonylContact C-O 3.44Å; W68-G71 WeakPolarHBondContact CA-O 3.35Å; W68-G71 WeakPolarHBondContact CB-O 3.43Å; W68-G71 PolarHBondContact N-O 3.15Å; W68-G71 VanDerWaalsContact O-O 3.08Å; W68-T73 PolarHBondContact NE1-OG1 3.41Å; W68-Y81 WeakPolarHBondContact O-CE2 3.46Å; W68-Y81 PolarHBondContact O-OH 2.83Å; W68-Y81 VanDerWaalsContact O-OH 3.06Å; W68-K118 HydrophobicContact CD2-CB 4.07Å; W68-K118 HydrophobicContact CE3-CB 3.61Å; W68-K118 HydrophobicContact CE3-CG 4.37Å; W68-K118 HydrophobicContact CH2-CB 4.43Å; W68-K118 HydrophobicContact CH2-CD 4.45Å; W68-K118 HydrophobicContact CH2-CG 4.34Å; W68-K118 HydrophobicContact CZ3-CB 3.81Å; W68-K118 HydrophobicContact CZ3-CD 4.02Å; W68-K118 HydrophobicContact CZ3-CG 4.07Å; W68-E121 HydrophobicContact CE3-CB 3.82Å; W68-E121 HydrophobicContact CZ3-CB 3.84Å; W68-C123 HydrophobicContact CB-CB 3.82Å; W68-C123 HydrophobicContact CD2-CB 3.72Å; W68-C123 HydrophobicContact CE3-CB 4.35Å; W68-C123 HydrophobicContact CG-CB 3.46Å; W68-C123 VanDerWaalsContact CG-CB 3.46Å
69	K	86.2	Confident	83.5	Confident	146 Å²	146	57.2 Å²	57.2	64%	0.635	28%	0.278	S	S	*	.	S	Bend	trans	-63	-33	176.3	-166.2	172.8	179.1	177.3	0	113.8	K119 E121 I122	K69-K119 WeakPolarHBondContact CB-O 3.36Å; K69-E121 PolarHBondContact N-O 2.91Å; K69-I122 HydrophobicContact CB-CG1 4.25Å; K69-I122 HydrophobicContact CD-CG1 4.31Å
70	N	86.3	Confident	84.9	Confident	60 Å²	60	52.2 Å²	52.2	32%	0.321	26%	0.262	S	S	.	.	S	Bend	trans	-104.5	-7.1	-172.5	58.2	-36.7	0	0	0	114.5	W68 F78 C123	W68-N70 VanDerWaalsContact C-N 3.28Å; W68-N70 PolarHBondContact O-N 3.19Å; N70-F78 HydrophobicContact CB-CZ 4.5Å; N70-F78 WeakPolarHBondContact ND2-CZ 3.28Å; N70-C123 PolarHBondContact ND2-O 3.27Å; N70-C123 WeakPolarHBondContact OD1-CB 3.43Å; N70-C123 PolarHBondContact OD1-N 3.45Å
71	G	88.5	Confident	86.1	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.9	-158.8	-173.6	0	0	0	0	0	111.4	W68 R79 Y81	W68-G71 CarbonylContact C-O 3.44Å; W68-G71 WeakPolarHBondContact CA-O 3.35Å; W68-G71 WeakPolarHBondContact CB-O 3.43Å; W68-G71 PolarHBondContact N-O 3.15Å; W68-G71 VanDerWaalsContact O-O 3.08Å; G71-R79 CarbonylContact C-O 3.54Å; G71-R79 WeakPolarHBondContact CA-O 3.46Å; G71-Y81 VanDerWaalsContact N-CE2 3.33Å; G71-Y81 PolarHBondContact O-OH 2.83Å; G71-Y81 VanDerWaalsContact O-OH 3.14Å
72	F	88.9	Confident	86.8	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	154.4	172.6	60.8	-80.8	0	0	0	110	I65 K66 V74 R79 Y81 F89 L90	I65-F72 HydrophobicContact CG2-CD2 4.29Å; K66-F72 CarbonylContact O-C 3.59Å; K66-F72 WeakPolarHBondContact O-CA 3.18Å; K66-F72 VanDerWaalsContact O-CB 3.3Å; K66-F72 WeakPolarHBondContact O-CB 3.46Å; F72-V74 HydrophobicContact CD2-CG2 3.69Å; F72-V74 HydrophobicContact CE2-CG2 3.62Å; F72-R79 HydrophobicContact CD1-CB 4.44Å; F72-R79 HydrophobicContact CD2-CB 4.45Å; F72-R79 HydrophobicContact CE1-CB 4.06Å; F72-R79 HydrophobicContact CE2-CB 4.06Å; F72-R79 HydrophobicContact CZ-CB 3.86Å; F72-R79 PolarHBondContact N-O 2.96Å; F72-R79 PolarHBondContact O-N 3.08Å; F72-Y81 HydrophobicContact CD1-CD1 4.07Å; F72-Y81 AromaticContact CD1-CE1 3.8Å; F72-Y81 HydrophobicContact CD1-CE1 3.8Å; F72-Y81 HydrophobicContact CE1-CD1 4.47Å; F72-F89 HydrophobicContact CD2-CD1 4.39Å; F72-F89 HydrophobicContact CD2-CE1 4.23Å; F72-F89 AromaticContact CE2-CD1 3.4Å; F72-F89 HydrophobicContact CE2-CD1 3.4Å; F72-F89 VanDerWaalsContact CE2-CD1 3.4Å; F72-F89 AromaticContact CE2-CE1 3.55Å; F72-F89 HydrophobicContact CE2-CE1 3.55Å; F72-F89 HydrophobicContact CE2-CG 4.36Å; F72-F89 AromaticContact CZ-CD1 3.74Å; F72-F89 HydrophobicContact CZ-CD1 3.74Å; F72-F89 HydrophobicContact CZ-CE1 4.35Å; F72-F89 HydrophobicContact CZ-CG 4.47Å; F72-L90 HydrophobicContact CD1-CD1 3.75Å; F72-L90 HydrophobicContact CD1-CD2 3.98Å; F72-L90 HydrophobicContact CD1-CG 4.03Å; F72-L90 HydrophobicContact CD2-CD2 4.38Å; F72-L90 HydrophobicContact CE1-CD1 3.5Å; F72-L90 HydrophobicContact CE1-CD2 4Å; F72-L90 HydrophobicContact CE1-CG 3.6Å; F72-L90 HydrophobicContact CE2-CD2 4.41Å; F72-L90 HydrophobicContact CG-CD2 4.17Å; F72-L90 HydrophobicContact CZ-CD1 4.29Å; F72-L90 HydrophobicContact CZ-CD2 4.22Å; F72-L90 HydrophobicContact CZ-CG 3.89Å
73	T	88.4	Confident	87.2	Confident	12 Å²	12	53.9 Å²	53.9	7%	0.074	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	137.9	171.2	47.2	0	0	0	0	110.3	I65 K66 W68 D77 F78	I65-T73 CarbonylContact C-O 3.53Å; I65-T73 VanDerWaalsContact CA-O 3.27Å; I65-T73 WeakPolarHBondContact CA-O 3.49Å; K66-T73 WeakPolarHBondContact CB-OG1 3.24Å; K66-T73 PolarHBondContact N-O 2.86Å; K66-T73 PolarHBondContact O-N 3.02Å; W68-T73 PolarHBondContact NE1-OG1 3.41Å; T73-D77 CarbonylContact C-O 3.58Å; T73-D77 WeakPolarHBondContact CA-O 3.47Å; T73-F78 HydrophobicContact CG2-CB 3.94Å; T73-F78 HydrophobicContact CG2-CD2 3.97Å; T73-F78 HydrophobicContact CG2-CG 4.47Å
74	V	88.5	Confident	87.4	Confident	14 Å²	14	56.2 Å²	56.2	9%	0.085	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	113	172.2	-175.9	0	0	0	0	107.3	V63 I65 F72 D76 D77 F89	V63-V74 HydrophobicContact CG1-CG1 3.93Å; I65-V74 HydrophobicContact CG1-CG1 4.46Å; I65-V74 HydrophobicContact CG1-CG2 4.43Å; I65-V74 HydrophobicContact CG2-CG2 4.48Å; F72-V74 HydrophobicContact CD2-CG2 3.69Å; F72-V74 HydrophobicContact CE2-CG2 3.62Å; V74-D76 VanDerWaalsContact C-N 3.26Å; V74-D76 PolarHBondContact O-N 3.25Å; V74-D77 PolarHBondContact N-O 3.21Å; V74-D77 WeakPolarHBondContact O-CB 3.38Å; V74-D77 PolarHBondContact O-N 3.13Å; V74-F89 HydrophobicContact CB-CZ 4.42Å; V74-F89 HydrophobicContact CG1-CZ 4Å; V74-F89 HydrophobicContact CG2-CD1 4.49Å; V74-F89 HydrophobicContact CG2-CE1 3.54Å; V74-F89 HydrophobicContact CG2-CE2 4.41Å; V74-F89 HydrophobicContact CG2-CZ 3.51Å
75	N	82.6	Confident	87.3	Confident	78 Å²	78	56 Å²	56	42%	0.417	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	46	51.3	-177.2	-64.1	-12.3	0	0	0	112.6	V63 N64 D77	V63-N75 WeakPolarHBondContact CA-OD1 3.46Å; N64-N75 PolarHBondContact N-OD1 3.01Å; N64-N75 PolarHBondContact O-N 2.75Å; N75-D77 PolarHBondContact O-N 3.25Å
76	D	80	Confident	87.2	Confident	131 Å²	131	56.2 Å²	56.2	70%	0.701	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.2	-2.6	-177.3	-52.8	-48.7	0	0	0	117.5	V74	V74-D76 VanDerWaalsContact C-N 3.26Å; V74-D76 PolarHBondContact O-N 3.25Å
77	D	85.4	Confident	87.1	Confident	79 Å²	79	58.1 Å²	58.1	42%	0.422	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	117.1	170.2	-179.2	36.9	0	0	0	111.3	T73 V74 N75 R79	T73-D77 CarbonylContact C-O 3.58Å; T73-D77 WeakPolarHBondContact CA-O 3.47Å; V74-D77 PolarHBondContact N-O 3.21Å; V74-D77 WeakPolarHBondContact O-CB 3.38Å; V74-D77 PolarHBondContact O-N 3.13Å; N75-D77 PolarHBondContact O-N 3.25Å; D77-R79 IonicContact OD2-CZ 2.78Å; D77-R79 VanDerWaalsContact OD2-CZ 3.23Å; D77-R79 IonicContact OD2-NE 3.15Å; D77-R79 PolarHBondContact OD2-NE 3.34Å; D77-R79 IonicContact OD2-NH2 3.28Å; D77-R79 PolarHBondContact OD2-NH2 3.02Å
78	F	87.1	Confident	87.1	Confident	53 Å²	53	63.1 Å²	63.1	23%	0.232	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	128.9	-176	174.6	-97.5	0	0	0	113.1	N70 T73 C123	N70-F78 HydrophobicContact CB-CZ 4.5Å; N70-F78 WeakPolarHBondContact ND2-CZ 3.28Å; T73-F78 HydrophobicContact CG2-CB 3.94Å; T73-F78 HydrophobicContact CG2-CD2 3.97Å; T73-F78 HydrophobicContact CG2-CG 4.47Å; F78-C123 HydrophobicContact CD2-CB 3.65Å; F78-C123 WeakPolarHBondContact CD2-SG 3.45Å; F78-C123 HydrophobicContact CE2-CB 3.47Å; F78-C123 VanDerWaalsContact CE2-CB 3.47Å; F78-C123 HydrophobicContact CZ-CB 4.41Å
79	R	86.9	Confident	87.1	Confident	56 Å²	56	61.7 Å²	61.7	21%	0.211	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	130.4	-174.2	-63.5	-176	176.8	-143	3.7	111.8	G71 F72 D77 E101	G71-R79 CarbonylContact C-O 3.54Å; G71-R79 WeakPolarHBondContact CA-O 3.46Å; F72-R79 HydrophobicContact CD1-CB 4.44Å; F72-R79 HydrophobicContact CD2-CB 4.45Å; F72-R79 HydrophobicContact CE1-CB 4.06Å; F72-R79 HydrophobicContact CE2-CB 4.06Å; F72-R79 HydrophobicContact CZ-CB 3.86Å; F72-R79 PolarHBondContact N-O 2.96Å; F72-R79 PolarHBondContact O-N 3.08Å; D77-R79 IonicContact OD2-CZ 2.78Å; D77-R79 VanDerWaalsContact OD2-CZ 3.23Å; D77-R79 IonicContact OD2-NE 3.15Å; D77-R79 PolarHBondContact OD2-NE 3.34Å; D77-R79 IonicContact OD2-NH2 3.28Å; D77-R79 PolarHBondContact OD2-NH2 3.02Å; R79-E101 IonicContact CZ-OE2 2.66Å; R79-E101 VanDerWaalsContact CZ-OE2 3.28Å; R79-E101 IonicContact NH1-OE1 2.6Å; R79-E101 PolarHBondContact NH1-OE1 2.97Å; R79-E101 IonicContact NH1-OE2 2.65Å; R79-E101 PolarHBondContact NH1-OE2 2.75Å; R79-E101 IonicContact NH2-OE2 3.04Å; R79-E101 PolarHBondContact NH2-OE2 2.85Å; R79-E101 VanDerWaalsContact NH2-OE2 3.15Å
80	S	87.8	Confident	87.2	Confident	45 Å²	45	55.8 Å²	55.8	32%	0.315	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	149.4	-179.9	-63.2	0	0	0	0	111.6	S82 S86	S80-S82 PolarHBondContact O-N 2.95Å; S80-S86 VanDerWaalsContact O-CB 3.29Å; S80-S86 WeakPolarHBondContact O-CB 3.38Å
81	Y	86.7	Confident	87.3	Confident	75 Å²	75	56.5 Å²	56.5	29%	0.294	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-14.1	176.1	-65.9	-54.3	0	0	0	114.3	W68 G71 F72 Q87 L90	W68-Y81 WeakPolarHBondContact O-CE2 3.46Å; W68-Y81 PolarHBondContact O-OH 2.83Å; W68-Y81 VanDerWaalsContact O-OH 3.06Å; G71-Y81 VanDerWaalsContact N-CE2 3.33Å; G71-Y81 PolarHBondContact O-OH 2.83Å; G71-Y81 VanDerWaalsContact O-OH 3.14Å; F72-Y81 HydrophobicContact CD1-CD1 4.07Å; F72-Y81 AromaticContact CD1-CE1 3.8Å; F72-Y81 HydrophobicContact CD1-CE1 3.8Å; F72-Y81 HydrophobicContact CE1-CD1 4.47Å; Y81-Q87 WeakPolarHBondContact O-CG 3.45Å; Y81-Q87 PolarHBondContact O-NE2 2.67Å; Y81-L90 HydrophobicContact CD1-CD1 3.67Å; Y81-L90 HydrophobicContact CE1-CD1 3.68Å
82	S	87.1	Confident	87.4	Confident	109 Å²	109	57.6 Å²	57.6	76%	0.762	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-21	-178.1	-49.9	0	0	0	0	114.1	S80	S80-S82 PolarHBondContact O-N 2.95Å
83	D	87.6	Confident	87.3	Confident	92 Å²	92	59.8 Å²	59.8	49%	0.492	33%	0.334	S	S	.	.			trans	-79.8	133.9	-177.3	-75.8	-49.5	0	0	0	112.2	A85 S86 Q87	D83-A85 VanDerWaalsContact C-N 3.34Å; D83-A85 PolarHBondContact O-N 2.96Å; D83-S86 WeakPolarHBondContact CB-OG 3.48Å; D83-S86 WeakPolarHBondContact O-CB 3.49Å; D83-S86 PolarHBondContact O-N 2.82Å; D83-Q87 WeakPolarHBondContact O-CG 3.49Å; D83-Q87 PolarHBondContact O-N 2.81Å
84	G	88.3	Confident	87.3	Confident	48 Å²	48	67 Å²	67	50%	0.495	36%	0.364	S	S	.	.	H	α-helix	trans	-60.5	-38.9	179.5	0	0	0	0	0	113.8	Q87 Q88	G84-Q87 PolarHBondContact O-N 3.3Å; G84-Q88 WeakPolarHBondContact O-CG 3.45Å; G84-Q88 PolarHBondContact O-N 2.85Å
85	A	86.6	Confident	87.4	Confident	54 Å²	54	73.1 Å²	73.1	45%	0.446	39%	0.389	S	S	.	.	H	α-helix	trans	-64.8	-45.6	175.5	0	0	0	0	0	111.3	D83 Q87 Q88 F89	D83-A85 VanDerWaalsContact C-N 3.34Å; D83-A85 PolarHBondContact O-N 2.96Å; A85-Q87 VanDerWaalsContact C-N 3.26Å; A85-Q87 PolarHBondContact O-N 2.97Å; A85-Q88 WeakPolarHBondContact O-CB 3.38Å; A85-Q88 PolarHBondContact O-N 2.91Å; A85-F89 PolarHBondContact O-N 3.32Å
86	S	88.2	Confident	87.5	Confident	5 Å²	5	72.9 Å²	72.9	4%	0.035	41%	0.406	C	S	.	.	H	α-helix	trans	-59.8	-35.6	175.9	-57.6	0	0	0	0	112.5	S80 D83 L90	S80-S86 VanDerWaalsContact O-CB 3.29Å; S80-S86 WeakPolarHBondContact O-CB 3.38Å; D83-S86 WeakPolarHBondContact CB-OG 3.48Å; D83-S86 WeakPolarHBondContact O-CB 3.49Å; D83-S86 PolarHBondContact O-N 2.82Å; S86-L90 WeakPolarHBondContact O-CG 3.41Å; S86-L90 PolarHBondContact O-N 2.84Å; S86-L90 VanDerWaalsContact O-N 3.17Å
87	Q	88.6	Confident	87.8	Confident	95 Å²	95	71.2 Å²	71.2	44%	0.444	39%	0.394	S	S	.	.	H	α-helix	trans	-69.8	-39.8	172.8	-69.7	-179.2	9.6	0	0	112.7	Y81 D83 G84 A85 L90 N91	Y81-Q87 WeakPolarHBondContact O-CG 3.45Å; Y81-Q87 PolarHBondContact O-NE2 2.67Å; D83-Q87 WeakPolarHBondContact O-CG 3.49Å; D83-Q87 PolarHBondContact O-N 2.81Å; G84-Q87 PolarHBondContact O-N 3.3Å; A85-Q87 VanDerWaalsContact C-N 3.26Å; A85-Q87 PolarHBondContact O-N 2.97Å; Q87-L90 PolarHBondContact O-N 2.98Å; Q87-N91 WeakPolarHBondContact O-CB 3.46Å; Q87-N91 PolarHBondContact O-N 3.04Å; Q87-N91 PolarHBondContact O-ND2 2.88Å; Q87-N91 VanDerWaalsContact O-ND2 3.08Å
88	Q	89.6	Confident	87.7	Confident	139 Å²	139	71.3 Å²	71.3	65%	0.65	39%	0.394	S	S	*	.	H	α-helix	trans	-60	-48.2	174.4	-71.7	172.7	-3.7	0	0	111	G84 A85 L90 N91 S92	G84-Q88 WeakPolarHBondContact O-CG 3.45Å; G84-Q88 PolarHBondContact O-N 2.85Å; A85-Q88 WeakPolarHBondContact O-CB 3.38Å; A85-Q88 PolarHBondContact O-N 2.91Å; Q88-L90 PolarHBondContact O-N 3.35Å; Q88-N91 PolarHBondContact O-N 3.48Å; Q88-N91 VanDerWaalsContact O-N 3.08Å; Q88-S92 PolarHBondContact O-N 3.21Å; Q88-S92 PolarHBondContact O-OG 3.08Å
89	F	89.4	Confident	87.6	Confident	5 Å²	5	69 Å²	69	2%	0.022	38%	0.384	C	S	.	.	H	α-helix	trans	-53.6	-50.4	175.4	-179.1	-88.9	0	0	0	112.5	I65 F72 V74 A85 N91 S92 I93 P99 E101 L102	I65-F89 HydrophobicContact CD1-CE1 3.89Å; I65-F89 HydrophobicContact CD1-CZ 3.81Å; F72-F89 HydrophobicContact CD2-CD1 4.39Å; F72-F89 HydrophobicContact CD2-CE1 4.23Å; F72-F89 AromaticContact CE2-CD1 3.4Å; F72-F89 HydrophobicContact CE2-CD1 3.4Å; F72-F89 VanDerWaalsContact CE2-CD1 3.4Å; F72-F89 AromaticContact CE2-CE1 3.55Å; F72-F89 HydrophobicContact CE2-CE1 3.55Å; F72-F89 HydrophobicContact CE2-CG 4.36Å; F72-F89 AromaticContact CZ-CD1 3.74Å; F72-F89 HydrophobicContact CZ-CD1 3.74Å; F72-F89 HydrophobicContact CZ-CE1 4.35Å; F72-F89 HydrophobicContact CZ-CG 4.47Å; V74-F89 HydrophobicContact CB-CZ 4.42Å; V74-F89 HydrophobicContact CG1-CZ 4Å; V74-F89 HydrophobicContact CG2-CD1 4.49Å; V74-F89 HydrophobicContact CG2-CE1 3.54Å; V74-F89 HydrophobicContact CG2-CE2 4.41Å; V74-F89 HydrophobicContact CG2-CZ 3.51Å; A85-F89 PolarHBondContact O-N 3.32Å; F89-N91 VanDerWaalsContact C-N 3.32Å; F89-N91 PolarHBondContact O-N 2.8Å; F89-S92 PolarHBondContact O-N 3.06Å; F89-I93 HydrophobicContact CD1-CD1 3.66Å; F89-I93 HydrophobicContact CE1-CD1 3.25Å; F89-I93 HydrophobicContact CZ-CD1 3.79Å; F89-I93 PolarHBondContact O-N 2.89Å; F89-P99 HydrophobicContact CD2-CB 3.4Å; F89-P99 HydrophobicContact CD2-CG 3.73Å; F89-P99 HydrophobicContact CE2-CB 3.68Å; F89-P99 HydrophobicContact CE2-CG 3.73Å; F89-P99 HydrophobicContact CG-CB 4.19Å; F89-P99 HydrophobicContact CG-CG 4.25Å; F89-P99 HydrophobicContact CZ-CG 4.27Å; F89-E101 HydrophobicContact CD2-CB 4.49Å; F89-L102 HydrophobicContact CE2-CD1 4.41Å; F89-L102 HydrophobicContact CE2-CG 4.2Å
90	L	88.1	Confident	87.3	Confident	21 Å²	21	70.8 Å²	70.8	11%	0.11	41%	0.405	C	S	.	.	H	α-helix	trans	-65	-33	176.5	-71.1	174.1	0	0	0	113.3	F72 Y81 S86 Q87 Q88 K94	F72-L90 HydrophobicContact CD1-CD1 3.75Å; F72-L90 HydrophobicContact CD1-CD2 3.98Å; F72-L90 HydrophobicContact CD1-CG 4.03Å; F72-L90 HydrophobicContact CD2-CD2 4.38Å; F72-L90 HydrophobicContact CE1-CD1 3.5Å; F72-L90 HydrophobicContact CE1-CD2 4Å; F72-L90 HydrophobicContact CE1-CG 3.6Å; F72-L90 HydrophobicContact CE2-CD2 4.41Å; F72-L90 HydrophobicContact CG-CD2 4.17Å; F72-L90 HydrophobicContact CZ-CD1 4.29Å; F72-L90 HydrophobicContact CZ-CD2 4.22Å; F72-L90 HydrophobicContact CZ-CG 3.89Å; Y81-L90 HydrophobicContact CD1-CD1 3.67Å; Y81-L90 HydrophobicContact CE1-CD1 3.68Å; S86-L90 WeakPolarHBondContact O-CG 3.41Å; S86-L90 PolarHBondContact O-N 2.84Å; S86-L90 VanDerWaalsContact O-N 3.17Å; Q87-L90 PolarHBondContact O-N 2.98Å; Q88-L90 PolarHBondContact O-N 3.35Å; L90-K94 WeakPolarHBondContact O-CB 3.5Å; L90-K94 VanDerWaalsContact O-CG 3.24Å; L90-K94 WeakPolarHBondContact O-CG 3.49Å; L90-K94 PolarHBondContact O-N 2.91Å
91	N	89.7	Confident	87.1	Confident	76 Å²	76	72.1 Å²	72.1	41%	0.406	41%	0.407	S	S	.	.	H	α-helix	trans	-72.1	-36	178.8	-73.4	-28.5	0	0	0	111.9	Q87 Q88 F89 K94 K95	Q87-N91 WeakPolarHBondContact O-CB 3.46Å; Q87-N91 PolarHBondContact O-N 3.04Å; Q87-N91 PolarHBondContact O-ND2 2.88Å; Q87-N91 VanDerWaalsContact O-ND2 3.08Å; Q88-N91 PolarHBondContact O-N 3.48Å; Q88-N91 VanDerWaalsContact O-N 3.08Å; F89-N91 VanDerWaalsContact C-N 3.32Å; F89-N91 PolarHBondContact O-N 2.8Å; N91-K94 PolarHBondContact O-N 2.94Å; N91-K95 VanDerWaalsContact O-CG 3.29Å; N91-K95 WeakPolarHBondContact O-CG 3.31Å; N91-K95 PolarHBondContact O-N 3.11Å
92	S	89.7	Confident	86.8	Confident	23 Å²	23	68.9 Å²	68.9	16%	0.161	39%	0.394	C	S	.	.	H	α-helix	trans	-60.7	-49.8	169.9	-66.1	0	0	0	0	111	Q88 F89 K94 K95 G96 E97	Q88-S92 PolarHBondContact O-N 3.21Å; Q88-S92 PolarHBondContact O-OG 3.08Å; F89-S92 PolarHBondContact O-N 3.06Å; S92-K94 VanDerWaalsContact C-N 3.35Å; S92-K94 PolarHBondContact O-N 2.98Å; S92-K95 WeakPolarHBondContact O-CB 3.27Å; S92-K95 PolarHBondContact O-N 2.82Å; S92-G96 PolarHBondContact O-N 2.92Å; S92-G96 VanDerWaalsContact O-N 3.14Å; S92-E97 CarbonylContact C-O 3.54Å; S92-E97 WeakPolarHBondContact CB-O 3.21Å; S92-E97 PolarHBondContact O-N 2.87Å
93	I	87.6	Confident	86.2	Confident	46 Å²	46	68.9 Å²	68.9	24%	0.236	38%	0.382	C	S	.	.	H	α-helix	trans	-58	-44.6	177.5	-66.9	164.7	0	0	0	111.8	I65 F89 K95 G96 P99	I65-I93 HydrophobicContact CD1-CD1 3.44Å; I65-I93 VanDerWaalsContact CD1-CD1 3.44Å; F89-I93 HydrophobicContact CD1-CD1 3.66Å; F89-I93 HydrophobicContact CE1-CD1 3.25Å; F89-I93 HydrophobicContact CZ-CD1 3.79Å; F89-I93 PolarHBondContact O-N 2.89Å; I93-K95 PolarHBondContact O-N 2.82Å; I93-G96 PolarHBondContact O-N 3.26Å; I93-P99 HydrophobicContact CD1-CG 4.2Å; I93-P99 HydrophobicContact CG1-CG 3.77Å
94	K	87.5	Confident	85.2	Confident	162 Å²	162	67 Å²	67	70%	0.704	38%	0.384	S	S	*	.	H	α-helix	trans	-60.7	-26.6	177	-77.1	170.5	-175.3	173.2	0	113.9	L90 N91 S92	L90-K94 WeakPolarHBondContact O-CB 3.5Å; L90-K94 VanDerWaalsContact O-CG 3.24Å; L90-K94 WeakPolarHBondContact O-CG 3.49Å; L90-K94 PolarHBondContact O-N 2.91Å; N91-K94 PolarHBondContact O-N 2.94Å; S92-K94 VanDerWaalsContact C-N 3.35Å; S92-K94 PolarHBondContact O-N 2.98Å
95	K	90.2	Very high	84.3	Confident	143 Å²	143	70.1 Å²	70.1	62%	0.622	39%	0.388	S	S	*	.	H	α-helix	trans	-89.6	-9.2	176.4	-67.7	169.4	173.1	-171.6	0	113.5	N91 S92 I93 E97	N91-K95 VanDerWaalsContact O-CG 3.29Å; N91-K95 WeakPolarHBondContact O-CG 3.31Å; N91-K95 PolarHBondContact O-N 3.11Å; S92-K95 WeakPolarHBondContact O-CB 3.27Å; S92-K95 PolarHBondContact O-N 2.82Å; I93-K95 PolarHBondContact O-N 2.82Å; K95-E97 VanDerWaalsContact C-N 3.29Å; K95-E97 HydrophobicContact CB-CB 4.49Å; K95-E97 HydrophobicContact CB-CG 3.98Å; K95-E97 VanDerWaalsContact CD-CD 3.45Å; K95-E97 HydrophobicContact CD-CG 4.3Å; K95-E97 WeakPolarHBondContact CD-OE2 3.34Å; K95-E97 IonicContact NZ-OE1 3.53Å; K95-E97 IonicContact NZ-OE2 3.1Å; K95-E97 PolarHBondContact NZ-OE2 3.48Å; K95-E97 VanDerWaalsContact NZ-OE2 3.1Å
96	G	85.3	Confident	83.4	Confident	74 Å²	74	69.5 Å²	69.5	76%	0.763	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.9	16.3	-167.8	0	0	0	0	0	113.9	S92 I93	S92-G96 PolarHBondContact O-N 2.92Å; S92-G96 VanDerWaalsContact O-N 3.14Å; I93-G96 PolarHBondContact O-N 3.26Å
97	E	86.6	Confident	82.1	Confident	96 Å²	96	75.3 Å²	75.3	45%	0.449	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-86.8	136.3	173	-66	170.6	170.5	0	0	109.3	S92 K95 P99	S92-E97 CarbonylContact C-O 3.54Å; S92-E97 WeakPolarHBondContact CB-O 3.21Å; S92-E97 PolarHBondContact O-N 2.87Å; K95-E97 VanDerWaalsContact C-N 3.29Å; K95-E97 HydrophobicContact CB-CB 4.49Å; K95-E97 HydrophobicContact CB-CG 3.98Å; K95-E97 VanDerWaalsContact CD-CD 3.45Å; K95-E97 HydrophobicContact CD-CG 4.3Å; K95-E97 WeakPolarHBondContact CD-OE2 3.34Å; K95-E97 IonicContact NZ-OE1 3.53Å; K95-E97 IonicContact NZ-OE2 3.1Å; K95-E97 PolarHBondContact NZ-OE2 3.48Å; K95-E97 VanDerWaalsContact NZ-OE2 3.1Å; E97-P99 WeakPolarHBondContact O-CD 3.5Å
98	L	83.3	Confident	80.9	Confident	80 Å²	80	80.8 Å²	80.8	42%	0.419	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-67	123.2	172.6	-175.5	70	0	0	0	109.4	L102 Q103 V111	L98-L102 HydrophobicContact CD1-CB 3.94Å; L98-L102 HydrophobicContact CD1-CD1 4.11Å; L98-L102 HydrophobicContact CG-CB 4.32Å; L98-Q103 HydrophobicContact CD2-CB 4.2Å; L98-V111 HydrophobicContact CD1-CB 4.47Å
99	P	85.3	Confident	80.2	Confident	5 Å²	5	76.6 Å²	76.6	3%	0.032	41%	0.409	C	S	.	.	P	Polyproline II helix	trans	-60.5	138.4	176.3	-23.7	34	0	0	0	112	F89 I93 E97 E101 L102 Q103	F89-P99 HydrophobicContact CD2-CB 3.4Å; F89-P99 HydrophobicContact CD2-CG 3.73Å; F89-P99 HydrophobicContact CE2-CB 3.68Å; F89-P99 HydrophobicContact CE2-CG 3.73Å; F89-P99 HydrophobicContact CG-CB 4.19Å; F89-P99 HydrophobicContact CG-CG 4.25Å; F89-P99 HydrophobicContact CZ-CG 4.27Å; I93-P99 HydrophobicContact CD1-CG 4.2Å; I93-P99 HydrophobicContact CG1-CG 3.77Å; E97-P99 WeakPolarHBondContact O-CD 3.5Å; P99-E101 PolarHBondContact O-N 2.88Å; P99-L102 HydrophobicContact CG-CD1 4.48Å; P99-L102 PolarHBondContact O-N 3.43Å; P99-Q103 PolarHBondContact O-N 3Å; P99-Q103 VanDerWaalsContact O-N 3.13Å
100	S	81.1	Confident	79.5	Confident	93 Å²	93	80.8 Å²	80.8	65%	0.65	43%	0.429	S	S	*	.	H	α-helix	trans	-57.8	-26.4	-178.3	-50.1	0	0	0	0	113.8	Q103 G104	S100-Q103 PolarHBondContact O-N 3.07Å; S100-G104 PolarHBondContact O-N 3.27Å
101	E	82.5	Confident	79.1	Confident	74 Å²	74	81.2 Å²	81.2	35%	0.346	43%	0.432	S	S	.	.	H	α-helix	trans	-63.9	-36.8	173.1	-62.7	-171.3	-125.4	0	0	113	R79 F89 P99 I105	R79-E101 IonicContact CZ-OE2 2.66Å; R79-E101 VanDerWaalsContact CZ-OE2 3.28Å; R79-E101 IonicContact NH1-OE1 2.6Å; R79-E101 PolarHBondContact NH1-OE1 2.97Å; R79-E101 IonicContact NH1-OE2 2.65Å; R79-E101 PolarHBondContact NH1-OE2 2.75Å; R79-E101 IonicContact NH2-OE2 3.04Å; R79-E101 PolarHBondContact NH2-OE2 2.85Å; R79-E101 VanDerWaalsContact NH2-OE2 3.15Å; F89-E101 HydrophobicContact CD2-CB 4.49Å; P99-E101 PolarHBondContact O-N 2.88Å; E101-I105 WeakPolarHBondContact O-CD1 3.43Å; E101-I105 VanDerWaalsContact O-CG1 3.26Å; E101-I105 WeakPolarHBondContact O-CG1 3.34Å
102	L	80.2	Confident	78.8	Confident	7 Å²	7	81.1 Å²	81.1	4%	0.037	43%	0.432	C	S	.	.	H	α-helix	trans	-80.4	-33.5	175.6	-59.6	-176.8	0	0	0	111.2	V63 F89 L98 P99 I105 F106 V113	V63-L102 HydrophobicContact CB-CD1 4.46Å; V63-L102 HydrophobicContact CG1-CD1 4Å; V63-L102 HydrophobicContact CG1-CD2 4.07Å; V63-L102 HydrophobicContact CG2-CD1 4.32Å; V63-L102 HydrophobicContact CG2-CD2 4.11Å; F89-L102 HydrophobicContact CE2-CD1 4.41Å; F89-L102 HydrophobicContact CE2-CG 4.2Å; L98-L102 HydrophobicContact CD1-CB 3.94Å; L98-L102 HydrophobicContact CD1-CD1 4.11Å; L98-L102 HydrophobicContact CG-CB 4.32Å; P99-L102 HydrophobicContact CG-CD1 4.48Å; P99-L102 PolarHBondContact O-N 3.43Å; L102-I105 PolarHBondContact O-N 2.98Å; L102-F106 HydrophobicContact CD2-CE2 4.47Å; L102-F106 VanDerWaalsContact O-CD2 3.3Å; L102-F106 WeakPolarHBondContact O-CD2 3.39Å; L102-F106 PolarHBondContact O-N 2.95Å; L102-V113 HydrophobicContact CD1-CG2 4.18Å
103	Q	73.9	Confident	78.6	Confident	109 Å²	109	82.4 Å²	82.4	51%	0.509	44%	0.438	S	S	.	.	H	α-helix	trans	-56.6	-55.3	178.9	-170.5	176.6	4.3	0	0	111.6	L98 P99 S100 I105 F106 D107	L98-Q103 HydrophobicContact CD2-CB 4.2Å; P99-Q103 PolarHBondContact O-N 3Å; P99-Q103 VanDerWaalsContact O-N 3.13Å; S100-Q103 PolarHBondContact O-N 3.07Å; Q103-I105 PolarHBondContact O-N 2.81Å; Q103-F106 CarbonylContact O-C 3.49Å; Q103-F106 PolarHBondContact O-N 3.36Å; Q103-F106 VanDerWaalsContact O-N 3.16Å; Q103-D107 PolarHBondContact O-N 3.43Å; Q103-D107 VanDerWaalsContact O-N 3.15Å
104	G	67.1	Low	78.6	Confident	51 Å²	51	84.9 Å²	84.9	53%	0.526	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-5.1	-176.3	0	0	0	0	0	116	S100	S100-G104 PolarHBondContact O-N 3.27Å
105	I	68.9	Low	78.6	Confident	115 Å²	115	81.1 Å²	81.1	59%	0.59	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	-27.7	172.5	-56.5	170.6	0	0	0	110.1	E101 L102 Q103	E101-I105 WeakPolarHBondContact O-CD1 3.43Å; E101-I105 VanDerWaalsContact O-CG1 3.26Å; E101-I105 WeakPolarHBondContact O-CG1 3.34Å; L102-I105 PolarHBondContact O-N 2.98Å; Q103-I105 PolarHBondContact O-N 2.81Å
106	F	68.8	Low	78.5	Confident	41 Å²	41	77.7 Å²	77.7	18%	0.18	42%	0.424	C	S	.	.			trans	-128.5	35.7	-168.2	-55.5	-57.8	0	0	0	113	V61 V63 L102 Q103 K108 E109 V111	V61-F106 HydrophobicContact CB-CD1 4.14Å; V61-F106 HydrophobicContact CB-CE1 4.04Å; V61-F106 HydrophobicContact CB-CG 4.48Å; V61-F106 HydrophobicContact CB-CZ 4.29Å; V61-F106 HydrophobicContact CG1-CD1 4.33Å; V61-F106 HydrophobicContact CG1-CE1 3.73Å; V61-F106 HydrophobicContact CG1-CE2 4.12Å; V61-F106 HydrophobicContact CG1-CZ 3.62Å; V61-F106 HydrophobicContact CG2-CD1 3.56Å; V61-F106 HydrophobicContact CG2-CE1 3.63Å; V61-F106 HydrophobicContact CG2-CG 4.26Å; V61-F106 HydrophobicContact CG2-CZ 4.35Å; V63-F106 HydrophobicContact CG2-CE2 4.24Å; L102-F106 HydrophobicContact CD2-CE2 4.47Å; L102-F106 VanDerWaalsContact O-CD2 3.3Å; L102-F106 WeakPolarHBondContact O-CD2 3.39Å; L102-F106 PolarHBondContact O-N 2.95Å; Q103-F106 CarbonylContact O-C 3.49Å; Q103-F106 PolarHBondContact O-N 3.36Å; Q103-F106 VanDerWaalsContact O-N 3.16Å; F106-K108 PolarHBondContact O-N 3.12Å; F106-E109 HydrophobicContact CB-CB 4.2Å; F106-E109 PolarHBondContact O-N 3.46Å; F106-V111 HydrophobicContact CB-CG2 3.47Å; F106-V111 VanDerWaalsContact CB-CG2 3.47Å; F106-V111 HydrophobicContact CD2-CG2 3.81Å; F106-V111 HydrophobicContact CG-CG2 3.85Å
107	D	61.7	Low	78.6	Confident	126 Å²	126	78.9 Å²	78.9	67%	0.674	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.3	-14.1	-174.6	-75.1	-47.3	0	0	0	117	Q103	Q103-D107 PolarHBondContact O-N 3.43Å; Q103-D107 VanDerWaalsContact O-N 3.15Å
108	K	63.3	Low	78.5	Confident	210 Å²	210	76.7 Å²	76.7	91%	0.913	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133.7	10.3	-177.4	-59	-175.9	-178.2	-179.8	0	113.5	F106	F106-K108 PolarHBondContact O-N 3.12Å
109	E	73.6	Confident	78.2	Confident	52 Å²	52	77.7 Å²	77.7	24%	0.243	40%	0.403	C	S	.	.	S	Bend	trans	-124.2	141.4	-167.3	-149	161.1	154.4	0	0	110.2	K59 Q60 V61 F106 V111	K59-E109 VanDerWaalsContact CB-CD 3.45Å; K59-E109 HydrophobicContact CB-CG 3.84Å; K59-E109 WeakPolarHBondContact CB-OE1 3.23Å; K59-E109 WeakPolarHBondContact CG-OE1 3.21Å; K59-E109 IonicContact NZ-OE2 3.88Å; K59-E109 WeakPolarHBondContact O-CG 3.37Å; Q60-E109 PolarHBondContact N-OE1 2.92Å; V61-E109 HydrophobicContact CG2-CB 4.48Å; V61-E109 HydrophobicContact CG2-CG 3.92Å; V61-E109 WeakPolarHBondContact CG2-OE1 3.16Å; F106-E109 HydrophobicContact CB-CB 4.2Å; F106-E109 PolarHBondContact O-N 3.46Å; E109-V111 PolarHBondContact O-N 2.73Å
110	E	76.3	Confident	77.8	Confident	92 Å²	92	85.3 Å²	85.3	43%	0.43	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	115.8	178.3	-177.8	168.4	-131.6	0	0	108.6	K58 Q60 V61	K58-E110 HydrophobicContact CD-CB 4.38Å; K58-E110 WeakPolarHBondContact CD-OE2 3.3Å; K58-E110 WeakPolarHBondContact CE-OE2 3.27Å; K58-E110 IonicContact NZ-OE1 3.16Å; K58-E110 PolarHBondContact NZ-OE1 3.34Å; K58-E110 VanDerWaalsContact NZ-OE1 3.16Å; K58-E110 IonicContact NZ-OE2 2.74Å; K58-E110 PolarHBondContact NZ-OE2 3.4Å; Q60-E110 VanDerWaalsContact CA-O 3.28Å; Q60-E110 WeakPolarHBondContact CA-O 3.39Å; Q60-E110 HydrophobicContact CG-CB 4.06Å; Q60-E110 HydrophobicContact CG-CG 4.49Å; Q60-E110 PolarHBondContact NE2-OE2 3Å; V61-E110 PolarHBondContact N-O 2.9Å; V61-E110 VanDerWaalsContact N-O 3.16Å
111	V	79.7	Confident	77.7	Confident	30 Å²	30	85.2 Å²	85.2	18%	0.182	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	116.1	-173.4	-175.7	0	0	0	0	109.7	V63 L98 F106 E109 V113	V63-V111 HydrophobicContact CB-CG1 4.29Å; V63-V111 HydrophobicContact CG2-CG1 3.56Å; L98-V111 HydrophobicContact CD1-CB 4.47Å; F106-V111 HydrophobicContact CB-CG2 3.47Å; F106-V111 VanDerWaalsContact CB-CG2 3.47Å; F106-V111 HydrophobicContact CD2-CG2 3.81Å; F106-V111 HydrophobicContact CG-CG2 3.85Å; E109-V111 PolarHBondContact O-N 2.73Å; V111-V113 HydrophobicContact CG1-CG2 4.03Å
112	D	82.9	Confident	77.3	Confident	75 Å²	75	86.8 Å²	86.8	40%	0.401	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	127.8	170.5	-173.8	47.6	0	0	0	109.8	V61 V63 K114	V61-D112 PolarHBondContact O-N 2.84Å; V63-D112 PolarHBondContact N-O 2.77Å; D112-K114 IonicContact OD2-NZ 2.83Å; D112-K114 PolarHBondContact OD2-NZ 3.09Å
113	V	84.5	Confident	76.6	Confident	49 Å²	49	87.1 Å²	87.1	30%	0.297	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	101.7	-174.7	-176.3	0	0	0	0	109.9	V63 I65 L102 V111 V115	V63-V113 HydrophobicContact CB-CG2 4.45Å; I65-V113 HydrophobicContact CD1-CG1 3.41Å; I65-V113 VanDerWaalsContact CD1-CG1 3.41Å; I65-V113 HydrophobicContact CG1-CG1 4.07Å; L102-V113 HydrophobicContact CD1-CG2 4.18Å; V111-V113 HydrophobicContact CG1-CG2 4.03Å; V113-V115 HydrophobicContact CG1-CG2 4.24Å
114	K	87.6	Confident	76.2	Confident	99 Å²	99	88.8 Å²	88.8	43%	0.43	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	117.5	178.8	-69.2	179.6	168.6	75.8	0	110.2	D62 V63 I65 D112	D62-K114 IonicContact OD1-NZ 2.93Å; D62-K114 PolarHBondContact OD1-NZ 3.11Å; V63-K114 PolarHBondContact O-N 3.49Å; I65-K114 PolarHBondContact N-O 3.02Å; D112-K114 IonicContact OD2-NZ 2.83Å; D112-K114 PolarHBondContact OD2-NZ 3.09Å
115	V	87.8	Confident	75.9	Confident	83 Å²	83	90 Å²	90	50%	0.503	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	120.1	-178.7	-173.7	0	0	0	0	110.8	I65 L67 V113	I65-V115 HydrophobicContact CB-CG2 4.45Å; I65-V115 CarbonylContact O-C 3.21Å; I65-V115 WeakPolarHBondContact O-CA 3.4Å; L67-V115 HydrophobicContact CD1-CG1 3.39Å; V113-V115 HydrophobicContact CG1-CG2 4.24Å
116	E	88.1	Confident	75.4	Confident	71 Å²	71	89.7 Å²	89.7	33%	0.332	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	129	177.7	-165.7	-174.8	162.8	0	0	110.3	I65 K66 L67 K118	I65-E116 PolarHBondContact O-N 2.93Å; K66-E116 WeakPolarHBondContact CA-O 3.46Å; K66-E116 HydrophobicContact CB-CB 4.42Å; K66-E116 WeakPolarHBondContact CD-OE2 3.25Å; K66-E116 WeakPolarHBondContact CE-OE2 3.21Å; K66-E116 HydrophobicContact CG-CB 4.12Å; L67-E116 PolarHBondContact N-O 2.91Å; E116-K118 HydrophobicContact CG-CG 4.15Å; E116-K118 WeakPolarHBondContact OE1-CE 3.24Å
117	D	87.6	Confident	75.1	Confident	98 Å²	98	96.3 Å²	96.3	52%	0.524	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	113	176.1	-163.7	-19.7	0	0	0	111.3	K119	D117-K119 WeakPolarHBondContact OD1-CB 3.44Å; D117-K119 WeakPolarHBondContact OD1-CD 3.31Å; D117-K119 WeakPolarHBondContact OD1-CE 3.49Å; D117-K119 WeakPolarHBondContact OD1-CG 3.44Å; D117-K119 PolarHBondContact OD1-N 3.2Å; D117-K119 VanDerWaalsContact OD1-N 3.15Å; D117-K119 IonicContact OD1-NZ 2.85Å; D117-K119 VanDerWaalsContact OD2-CE 3.31Å; D117-K119 WeakPolarHBondContact OD2-CE 3.44Å; D117-K119 IonicContact OD2-NZ 3.23Å; D117-K119 PolarHBondContact OD2-NZ 2.83Å
118	K	84.2	Confident	75.1	Confident	50 Å²	50	96.1 Å²	96.1	22%	0.217	50%	0.495	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	22.9	-176.5	-78.5	-79.3	-179.9	168.9	0	111.8	L67 W68 E116 N120 E121	L67-K118 CarbonylContact O-C 3.56Å; L67-K118 WeakPolarHBondContact O-CA 2.89Å; L67-K118 WeakPolarHBondContact O-CB 3.43Å; L67-K118 PolarHBondContact O-N 3.34Å; W68-K118 HydrophobicContact CD2-CB 4.07Å; W68-K118 HydrophobicContact CE3-CB 3.61Å; W68-K118 HydrophobicContact CE3-CG 4.37Å; W68-K118 HydrophobicContact CH2-CB 4.43Å; W68-K118 HydrophobicContact CH2-CD 4.45Å; W68-K118 HydrophobicContact CH2-CG 4.34Å; W68-K118 HydrophobicContact CZ3-CB 3.81Å; W68-K118 HydrophobicContact CZ3-CD 4.02Å; W68-K118 HydrophobicContact CZ3-CG 4.07Å; E116-K118 HydrophobicContact CG-CG 4.15Å; E116-K118 WeakPolarHBondContact OE1-CE 3.24Å; K118-N120 PolarHBondContact O-N 2.98Å; K118-E121 VanDerWaalsContact CD-CD 3.46Å; K118-E121 HydrophobicContact CD-CG 4.49Å; K118-E121 VanDerWaalsContact CD-OE1 3.3Å; K118-E121 WeakPolarHBondContact CD-OE1 3.46Å; K118-E121 WeakPolarHBondContact CD-OE2 3.3Å; K118-E121 IonicContact NZ-OE1 3.67Å; K118-E121 PolarHBondContact NZ-OE1 3.05Å; K118-E121 IonicContact NZ-OE2 2.66Å; K118-E121 PolarHBondContact NZ-OE2 3.3Å; K118-E121 PolarHBondContact O-N 2.83Å
119	K	77.6	Confident	75.1	Confident	101 Å²	101	91.8 Å²	91.8	44%	0.439	49%	0.486	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-20.1	-173.6	-74.3	161.9	-162.8	152.7	0	115.7	L67 K69 D117 E121	L67-K119 PolarHBondContact O-N 2.83Å; K69-K119 WeakPolarHBondContact CB-O 3.36Å; D117-K119 WeakPolarHBondContact OD1-CB 3.44Å; D117-K119 WeakPolarHBondContact OD1-CD 3.31Å; D117-K119 WeakPolarHBondContact OD1-CE 3.49Å; D117-K119 WeakPolarHBondContact OD1-CG 3.44Å; D117-K119 PolarHBondContact OD1-N 3.2Å; D117-K119 VanDerWaalsContact OD1-N 3.15Å; D117-K119 IonicContact OD1-NZ 2.85Å; D117-K119 VanDerWaalsContact OD2-CE 3.31Å; D117-K119 WeakPolarHBondContact OD2-CE 3.44Å; D117-K119 IonicContact OD2-NZ 3.23Å; D117-K119 PolarHBondContact OD2-NZ 2.83Å; K119-E121 VanDerWaalsContact C-N 3.34Å
120	N	76.3	Confident	74.9	Confident	166 Å²	166	97.7 Å²	97.7	89%	0.888	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-17.9	176.8	-61.7	-40.8	0	0	0	112.7	K118	K118-N120 PolarHBondContact O-N 2.98Å
121	E	79.4	Confident	74.6	Confident	90 Å²	90	100.2 Å²	100.2	42%	0.421	52%	0.523	S	S	.	.	S	Bend	trans	-100.1	141.7	179.9	-68.2	166.4	-135.3	0	0	109.9	W68 K69 K118 K119	W68-E121 HydrophobicContact CE3-CB 3.82Å; W68-E121 HydrophobicContact CZ3-CB 3.84Å; K69-E121 PolarHBondContact N-O 2.91Å; K118-E121 VanDerWaalsContact CD-CD 3.46Å; K118-E121 HydrophobicContact CD-CG 4.49Å; K118-E121 VanDerWaalsContact CD-OE1 3.3Å; K118-E121 WeakPolarHBondContact CD-OE1 3.46Å; K118-E121 WeakPolarHBondContact CD-OE2 3.3Å; K118-E121 IonicContact NZ-OE1 3.67Å; K118-E121 PolarHBondContact NZ-OE1 3.05Å; K118-E121 IonicContact NZ-OE2 2.66Å; K118-E121 PolarHBondContact NZ-OE2 3.3Å; K118-E121 PolarHBondContact O-N 2.83Å; K119-E121 VanDerWaalsContact C-N 3.34Å
122	I	74.4	Confident	74.3	Confident	108 Å²	108	101.9 Å²	101.9	55%	0.554	54%	0.535	S	S	*	.			trans	-89.7	125.5	170.9	-63.3	173.1	0	0	0	106.8	K69 L124	K69-I122 HydrophobicContact CB-CG1 4.25Å; K69-I122 HydrophobicContact CD-CG1 4.31Å; I122-L124 PolarHBondContact O-N 2.96Å
123	C	65.8	Low	73.9	Confident	13 Å²	13	107.9 Å²	107.9	9%	0.088	56%	0.557	C	S	.	*			trans	-67.6	99.6	171.6	-164	0	0	0	0	108.9	W68 N70 F78 S125	W68-C123 HydrophobicContact CB-CB 3.82Å; W68-C123 HydrophobicContact CD2-CB 3.72Å; W68-C123 HydrophobicContact CE3-CB 4.35Å; W68-C123 HydrophobicContact CG-CB 3.46Å; W68-C123 VanDerWaalsContact CG-CB 3.46Å; N70-C123 PolarHBondContact ND2-O 3.27Å; N70-C123 WeakPolarHBondContact OD1-CB 3.43Å; N70-C123 PolarHBondContact OD1-N 3.45Å; F78-C123 HydrophobicContact CD2-CB 3.65Å; F78-C123 WeakPolarHBondContact CD2-SG 3.45Å; F78-C123 HydrophobicContact CE2-CB 3.47Å; F78-C123 VanDerWaalsContact CE2-CB 3.47Å; F78-C123 HydrophobicContact CZ-CB 4.41Å; C123-S125 PolarHBondContact O-N 3.02Å
124	L	65.6	Low	73.5	Confident	144 Å²	144	110.6 Å²	110.6	75%	0.754	58%	0.579	S	S	*	*			trans	-71.3	111.7	153.7	-58.5	179.4	0	0	0	105.1	I122 T126	I122-L124 PolarHBondContact O-N 2.96Å; L124-T126 PolarHBondContact O-N 2.97Å
125	S	60.5	Low	73.2	Confident	78 Å²	78	108.8 Å²	108.8	55%	0.545	59%	0.588	S	S	.	*			trans	-52.5	107.6	170.6	173.8	0	0	0	0	107.4	C123 K127	C123-S125 PolarHBondContact O-N 3.02Å; S125-K127 PolarHBondContact O-N 3.2Å
126	T	59	Low	72.7	Confident	108 Å²	108	113 Å²	113	66%	0.663	60%	0.602	S	S	*	*			trans	-65.4	96	171.6	42.3	0	0	0	0	105	L124 P128	L124-T126 PolarHBondContact O-N 2.97Å; T126-P128 VanDerWaalsContact O-N 3.1Å
127	K	60.6	Low	72.3	Confident	180 Å²	180	113 Å²	113	78%	0.783	62%	0.621	S	S	*	*			trans	-38.5	123.5	174.4	-65.6	178.3	-179.5	177.8	0	106.6	S125 V129	S125-K127 PolarHBondContact O-N 3.2Å; K127-V129 PolarHBondContact O-N 3.27Å
128	P	62.4	Low	71.8	Confident	122 Å²	122	115.3 Å²	115.3	79%	0.792	63%	0.628	S	S	*	*			trans	-48.9	116.9	-171	19.2	-32.6	0	0	0	107	T126 F130	T126-P128 VanDerWaalsContact O-N 3.1Å; P128-F130 PolarHBondContact O-N 2.82Å
129	V	63.1	Low	71.3	Confident	119 Å²	119	121.8 Å²	121.8	72%	0.721	65%	0.651	S	S	*	*			trans	-54.6	113	-165.2	175.8	0	0	0	0	105.9	K127 Q131	K127-V129 PolarHBondContact O-N 3.27Å; V129-Q131 VanDerWaalsContact C-N 3.33Å; V129-Q131 PolarHBondContact O-N 3.02Å
130	F	69.1	Low	70.7	Confident	175 Å²	175	125.5 Å²	125.5	77%	0.768	68%	0.675	S	S	*	*			trans	-59.9	104.9	-173.4	176.2	-110.3	0	0	0	106.6	P128 P132	P128-F130 PolarHBondContact O-N 2.82Å; F130-P132 HydrophobicContact CD1-CB 4.36Å; F130-P132 HydrophobicContact CD1-CG 4.38Å; F130-P132 HydrophobicContact CE1-CB 3.74Å; F130-P132 HydrophobicContact CE1-CG 4.19Å; F130-P132 HydrophobicContact CZ-CB 4.17Å; F130-P132 WeakPolarHBondContact O-CD 3.3Å
131	Q	69.8	Low	70.5	Confident	145 Å²	145	119.8 Å²	119.8	68%	0.678	66%	0.656	S	S	*	*			trans	-94.8	85.7	176.4	-93.9	172.9	-40.2	0	0	105.8	V129 F133 S134	V129-Q131 VanDerWaalsContact C-N 3.33Å; V129-Q131 PolarHBondContact O-N 3.02Å; Q131-F133 PolarHBondContact O-N 2.68Å; Q131-S134 WeakPolarHBondContact O-CB 3.05Å; Q131-S134 PolarHBondContact O-N 2.96Å; Q131-S134 PolarHBondContact O-OG 2.74Å
132	P	74.3	Confident	69.9	Low	66 Å²	66	121 Å²	121	43%	0.429	67%	0.673	S	S	.	*	T	Hydrogen-bonded Turn	trans	-56.8	141.8	170.3	28.3	-35.8	0	0	0	107.7	F130	F130-P132 HydrophobicContact CD1-CB 4.36Å; F130-P132 HydrophobicContact CD1-CG 4.38Å; F130-P132 HydrophobicContact CE1-CB 3.74Å; F130-P132 HydrophobicContact CE1-CG 4.19Å; F130-P132 HydrophobicContact CZ-CB 4.17Å; F130-P132 WeakPolarHBondContact O-CD 3.3Å
133	F	74.3	Confident	69.2	Low	201 Å²	201	118.9 Å²	118.9	88%	0.882	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	66.7	29.2	-178	-35.2	-72.5	0	0	0	115.1	Q131 G135	Q131-F133 PolarHBondContact O-N 2.68Å; F133-G135 PolarHBondContact O-N 3.17Å
134	S	75.6	Confident	68.9	Low	106 Å²	106	124.4 Å²	124.4	74%	0.741	71%	0.706	S	S	*	*			trans	-63.9	-0.3	169.4	57.9	0	0	0	0	115.4	Q131	Q131-S134 WeakPolarHBondContact O-CB 3.05Å; Q131-S134 PolarHBondContact O-N 2.96Å; Q131-S134 PolarHBondContact O-OG 2.74Å
135	G	81.6	Confident	68.5	Low	60 Å²	60	122.3 Å²	122.3	62%	0.619	70%	0.701	S	S	*	*	S	Bend	trans	-82	155	173.4	0	0	0	0	0	113	F133 G137	F133-G135 PolarHBondContact O-N 3.17Å; G135-G137 PolarHBondContact O-N 2.97Å
136	Q	78.3	Confident	68.2	Low	172 Å²	172	127.9 Å²	127.9	80%	0.804	72%	0.716	S	S	*	*			trans	-63.9	103.9	178.1	-172.2	176.5	2.5	0	0	111.5	H138	Q136-H138 PolarHBondContact O-N 2.96Å; Q136-H138 PolarHBondContact O-ND1 2.77Å
137	G	79.3	Confident	68	Low	71 Å²	71	130.1 Å²	130.1	73%	0.732	72%	0.722	S	S	*	*			trans	-63.7	114.4	179.5	0	0	0	0	0	112.5	G135	G135-G137 PolarHBondContact O-N 2.97Å
138	H	76	Confident	67.6	Low	147 Å²	147	127.7 Å²	127.7	68%	0.681	72%	0.722	S	S	*	*			trans	-86.8	118.9	174.4	-74.9	63.1	0	0	0	109.9	Q136 L140	Q136-H138 PolarHBondContact O-N 2.96Å; Q136-H138 PolarHBondContact O-ND1 2.77Å; H138-L140 PolarHBondContact O-N 2.86Å
139	R	75.1	Confident	67.1	Low	185 Å²	185	127.4 Å²	127.4	70%	0.698	72%	0.722	S	S	*	*			trans	-66.5	103.7	175.8	-83.8	175.6	63	177.1	5.4	110.5	G141	R139-G141 PolarHBondContact O-N 2.99Å
140	L	65.3	Low	66.3	Low	180 Å²	180	129.9 Å²	129.9	94%	0.942	72%	0.724	S	S	*	*			trans	-79.3	67.5	169.3	-61.3	-177.9	0	0	0	110.5	H138	H138-L140 PolarHBondContact O-N 2.86Å
141	G	70.4	Confident	65.6	Low	46 Å²	46	126.6 Å²	126.6	47%	0.474	73%	0.729	S	S	.	*	S	Bend	trans	-179.1	139.4	177.2	0	0	0	0	0	109.2	R139 A143	R139-G141 PolarHBondContact O-N 2.99Å; G141-A143 PolarHBondContact O-N 3.37Å
142	S	67.1	Low	64.5	Low	114 Å²	114	128.2 Å²	128.2	80%	0.797	73%	0.733	S	S	*	*			trans	-52.6	132.4	172.2	37	0	0	0	0	109.3	T144	S142-T144 PolarHBondContact O-N 2.98Å
143	A	59.7	Low	63.1	Low	65 Å²	65	131.7 Å²	131.7	54%	0.537	75%	0.749	S	S	.	*			trans	-56.8	126.9	162.3	0	0	0	0	0	107	G141 P145	G141-A143 PolarHBondContact O-N 3.37Å; A143-P145 VanDerWaalsContact O-CD 3.3Å; A143-P145 WeakPolarHBondContact O-CD 2.93Å
144	T	60.1	Low	61.9	Low	128 Å²	128	129.1 Å²	129.1	79%	0.785	74%	0.742	S	S	*	*			trans	-50	112.5	172.1	-11.2	0	0	0	0	106.2	S142 K146	S142-T144 PolarHBondContact O-N 2.98Å; T144-K146 PolarHBondContact O-N 2.98Å; T144-K146 VanDerWaalsContact O-N 3.17Å
145	P	56.7	Low	60.3	Low	100 Å²	100	132.2 Å²	132.2	65%	0.649	75%	0.745	S	S	*	*			trans	-64.9	127.5	-167.9	23.9	-32.4	0	0	0	107.4	A143 I147	A143-P145 VanDerWaalsContact O-CD 3.3Å; A143-P145 WeakPolarHBondContact O-CD 2.93Å; P145-I147 WeakPolarHBondContact O-CG1 3.36Å; P145-I147 PolarHBondContact O-N 3.34Å
146	K	53.6	Low	58.9	Low	196 Å²	196	135.5 Å²	135.5	85%	0.852	75%	0.753	S	S	*	*			trans	-58.7	112.3	165.8	-161.9	175.7	-171.9	179.7	0	105.1	T144 V148	T144-K146 PolarHBondContact O-N 2.98Å; T144-K146 VanDerWaalsContact O-N 3.17Å; K146-V148 PolarHBondContact O-N 3.04Å
147	I	55	Low	57.3	Low	154 Å²	154	133.8 Å²	133.8	79%	0.79	75%	0.745	S	S	*	*			trans	-71.2	83.3	-169	-56.3	176.3	0	0	0	108.9	P145	P145-I147 WeakPolarHBondContact O-CG1 3.36Å; P145-I147 PolarHBondContact O-N 3.34Å
148	V	53.4	Low	55.5	Low	129 Å²	129	136.7 Å²	136.7	78%	0.782	74%	0.744	S	S	*	*			trans	-85.6	103.2	152.8	-85.4	0	0	0	0	106.2	K146 K150	K146-V148 PolarHBondContact O-N 3.04Å; V148-K150 PolarHBondContact O-N 2.9Å
149	S	50.4	Low	54.1	Low	116 Å²	116	137.4 Å²	137.4	81%	0.811	75%	0.745	S	S	*	*			trans	-68	73.7	179.8	54.5	0	0	0	0	111.1
150	K	46.5	Very low	53	Low	171 Å²	171	133.1 Å²	133.1	74%	0.743	74%	0.736	S	S	*	*			trans	-101.6	92.1	167.8	-161.2	160	-166	165.1	0	108.1	V148 K152	V148-K150 PolarHBondContact O-N 2.9Å; K150-K152 PolarHBondContact O-N 3.07Å
151	A	56	Low	52.2	Low	106 Å²	106	131.6 Å²	131.6	88%	0.876	73%	0.729	S	S	*	*			trans	-53.3	110.5	171.9	0	0	0	0	0	109.1
152	K	45.7	Very low	51.7	Low	179 Å²	179	135.2 Å²	135.2	78%	0.778	74%	0.736	S	S	*	*			trans	-134.1	143.6	167	-83.2	-161.4	168.9	-164.6	0	108.5	K150	K150-K152 PolarHBondContact O-N 3.07Å
153	N	45.3	Very low	51.4	Low	140 Å²	140	131.5 Å²	131.5	75%	0.749	71%	0.71	S	S	*	*			trans	-62.8	151.3	-163.8	-153.8	-15.8	0	0	0	112.1	E155	N153-E155 PolarHBondContact O-N 2.65Å
154	I	48.1	Very low	51.8	Low	146 Å²	146	132.5 Å²	132.5	75%	0.749	72%	0.719	S	S	*	*			trans	-77.3	90.5	173.5	-60.7	174.4	0	0	0	107.4	V156	I154-V156 HydrophobicContact CG2-CG2 3.78Å
155	E	43.9	Very low	52.7	Low	171 Å²	171	127.3 Å²	127.3	80%	0.799	69%	0.687	S	S	*	*			trans	-94.2	99.7	164.9	-74.9	179.6	-170.7	0	0	108.9	N153 E157	N153-E155 PolarHBondContact O-N 2.65Å; E155-E157 PolarHBondContact O-N 2.82Å
156	V	50.3	Low	54	Low	130 Å²	130	127.6 Å²	127.6	79%	0.788	69%	0.689	S	S	*	*			trans	-73.1	93.4	173.7	-177	0	0	0	0	108.5	I154	I154-V156 HydrophobicContact CG2-CG2 3.78Å
157	E	46.3	Very low	55.6	Low	136 Å²	136	121.1 Å²	121.1	64%	0.636	66%	0.663	S	S	*	*			trans	-120.4	91.4	167.1	-166.9	152.3	-127.2	0	0	112.4	E155 K159	E155-E157 PolarHBondContact O-N 2.82Å; E157-K159 HydrophobicContact CG-CG 4.43Å; E157-K159 WeakPolarHBondContact OE1-CD 3.35Å; E157-K159 WeakPolarHBondContact OE1-CE 3.22Å; E157-K159 IonicContact OE1-NZ 2.67Å; E157-K159 PolarHBondContact OE1-NZ 2.66Å
158	N	40.9	Very low	57.1	Low	131 Å²	131	117.3 Å²	117.3	70%	0.701	65%	0.645	S	S	*	*			trans	-139	78.6	145.3	-140.5	-43.2	0	0	0	108.3	N160	N158-N160 PolarHBondContact O-N 3.15Å; N158-N160 PolarHBondContact OD1-ND2 2.91Å
159	K	46.8	Very low	58.7	Low	163 Å²	163	117.9 Å²	117.9	71%	0.709	64%	0.643	S	S	*	*			trans	-70.6	63.2	-179.7	-69.2	172.1	-177.4	149.3	0	111.8	E157	E157-K159 HydrophobicContact CG-CG 4.43Å; E157-K159 WeakPolarHBondContact OE1-CD 3.35Å; E157-K159 WeakPolarHBondContact OE1-CE 3.22Å; E157-K159 IonicContact OE1-NZ 2.67Å; E157-K159 PolarHBondContact OE1-NZ 2.66Å
160	N	50.8	Low	60.5	Low	95 Å²	95	120 Å²	120	51%	0.508	64%	0.644	S	S	.	*			trans	-87.8	116.4	151.6	-66.1	-61.1	0	0	0	105.8	N158 L162	N158-N160 PolarHBondContact O-N 3.15Å; N158-N160 PolarHBondContact OD1-ND2 2.91Å; N160-L162 PolarHBondContact O-N 2.78Å
161	N	49.9	Very low	62.5	Low	147 Å²	147	114.9 Å²	114.9	79%	0.786	62%	0.623	S	S	*	*			trans	-57.8	98	-179.4	-74.2	-70.7	0	0	0	109.7	S163	N161-S163 PolarHBondContact O-N 2.88Å
162	L	58.5	Low	64.2	Low	122 Å²	122	113.7 Å²	113.7	64%	0.639	61%	0.607	S	S	*	*			trans	-64.3	105.5	167.7	-66.3	176.4	0	0	0	106	N160 A164 Y206	N160-L162 PolarHBondContact O-N 2.78Å; L162-A164 VanDerWaalsContact C-N 3.28Å; L162-A164 PolarHBondContact O-N 2.94Å; L162-Y206 HydrophobicContact CD2-CE2 4.34Å
163	S	61.5	Low	66.4	Low	36 Å²	36	108.4 Å²	108.4	25%	0.252	59%	0.586	S	S	.	*			trans	-64.4	96.6	173.8	-167.5	0	0	0	0	107.3	N161 V165 F202 K205	N161-S163 PolarHBondContact O-N 2.88Å; S163-V165 PolarHBondContact O-N 3.14Å; S163-F202 VanDerWaalsContact O-CD2 3.27Å; S163-F202 WeakPolarHBondContact O-CD2 3.46Å; S163-F202 VanDerWaalsContact O-CE2 3.3Å; S163-F202 WeakPolarHBondContact O-CE2 3.46Å; S163-K205 WeakPolarHBondContact OG-CB 3.12Å; S163-K205 VanDerWaalsContact OG-CD 3.25Å; S163-K205 WeakPolarHBondContact OG-CD 3.46Å
164	A	67.5	Low	68.7	Low	87 Å²	87	102 Å²	102	72%	0.719	55%	0.552	S	S	*	*			trans	-65	107.2	-173.9	0	0	0	0	0	108.9	L162	L162-A164 VanDerWaalsContact C-N 3.28Å; L162-A164 PolarHBondContact O-N 2.94Å
165	V	79.8	Confident	70.8	Confident	19 Å²	19	97.9 Å²	97.9	12%	0.115	53%	0.532	C	S	.	.			trans	-60.5	130.1	168	-177.4	0	0	0	0	107	S163 L167 Q188 F190 F202	S163-V165 PolarHBondContact O-N 3.14Å; V165-L167 PolarHBondContact O-N 3.06Å; V165-Q188 HydrophobicContact CG2-CG 4.15Å; V165-F190 HydrophobicContact CB-CE1 4.33Å; V165-F190 HydrophobicContact CG1-CD1 3.8Å; V165-F190 HydrophobicContact CG1-CE1 3.9Å; V165-F190 HydrophobicContact CG2-CD1 4.3Å; V165-F190 HydrophobicContact CG2-CE1 3.66Å; V165-F190 HydrophobicContact CG2-CZ 4.07Å; V165-F202 HydrophobicContact CG2-CB 4.11Å; V165-F202 HydrophobicContact CG2-CD2 3.65Å; V165-F202 HydrophobicContact CG2-CE2 4.36Å; V165-F202 HydrophobicContact CG2-CG 4.04Å
166	P	83.8	Confident	73.2	Confident	105 Å²	105	89.8 Å²	89.8	68%	0.682	49%	0.494	S	S	*	.			trans	-61.6	128	175.4	26	-33.6	0	0	0	109.2	H194	P166-H194 PolarHBondContact O-CE1 2.86Å; P166-H194 PolarHBondContact O-NE2 2.65Å
167	L	86.8	Confident	75.2	Confident	61 Å²	61	86.1 Å²	86.1	32%	0.319	47%	0.468	S	S	.	.			trans	-116.3	129.1	177.7	-60.4	178.1	0	0	0	109.2	V165 K189 N191	V165-L167 PolarHBondContact O-N 3.06Å; L167-K189 HydrophobicContact CD1-CB 3.8Å; L167-K189 HydrophobicContact CD2-CB 4.48Å; L167-N191 WeakPolarHBondContact CD2-OD1 3.16Å
168	N	87.7	Confident	77.5	Confident	74 Å²	74	79.6 Å²	79.6	40%	0.396	44%	0.438	S	S	.	.			trans	-94.4	116.9	168.4	178.7	7.6	0	0	0	109	L170 E171 N191	N168-L170 PolarHBondContact O-N 2.81Å; N168-L170 WeakPolarHBondContact OD1-CB 3.45Å; N168-L170 WeakPolarHBondContact OD1-CG 3.4Å; N168-L170 PolarHBondContact OD1-N 2.85Å; N168-L170 VanDerWaalsContact OD1-N 3.08Å; N168-E171 PolarHBondContact O-N 2.92Å; N168-N191 WeakPolarHBondContact CA-ND2 3.43Å; N168-N191 WeakPolarHBondContact CB-ND2 3.03Å; N168-N191 PolarHBondContact N-ND2 2.98Å; N168-N191 PolarHBondContact O-ND2 3.3Å
169	N	85.9	Confident	80	Confident	140 Å²	140	78.9 Å²	78.9	75%	0.749	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-5.9	-178.4	-58.9	-53.6	0	0	0	114
170	L	89.6	Confident	82.2	Confident	161 Å²	161	71.5 Å²	71.5	84%	0.843	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-13.3	176.6	-57.8	175.8	0	0	0	113.2	N168	N168-L170 PolarHBondContact O-N 2.81Å; N168-L170 WeakPolarHBondContact OD1-CB 3.45Å; N168-L170 WeakPolarHBondContact OD1-CG 3.4Å; N168-L170 PolarHBondContact OD1-N 2.85Å; N168-L170 VanDerWaalsContact OD1-N 3.08Å
171	E	87.3	Confident	84	Confident	64 Å²	64	69.3 Å²	69.3	30%	0.299	39%	0.389	S	S	.	.	S	Bend	trans	-106.2	154.2	177.3	-61.7	178	131.7	0	0	110.2	N168 I173 N191 S193	N168-E171 PolarHBondContact O-N 2.92Å; E171-I173 PolarHBondContact O-N 2.97Å; E171-N191 HydrophobicContact CB-CB 4.32Å; E171-N191 PolarHBondContact OE2-ND2 3.17Å; E171-S193 WeakPolarHBondContact OE1-CB 3.43Å; E171-S193 PolarHBondContact OE1-OG 3.04Å
172	P	91.3	Very high	85.8	Confident	81 Å²	81	66.5 Å²	66.5	53%	0.526	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-68.3	136.1	177.4	28.3	-33.7	0	0	0	111.4	N191 I192	P172-N191 WeakPolarHBondContact O-CA 3.3Å; P172-I192 HydrophobicContact CG-CD1 3.47Å; P172-I192 VanDerWaalsContact CG-CD1 3.47Å; P172-I192 HydrophobicContact CG-CG1 3.75Å; P172-I192 HydrophobicContact CG-CG2 4.19Å; P172-I192 PolarHBondContact O-N 3.15Å; P172-I192 VanDerWaalsContact O-N 3.14Å
173	I	92.8	Very high	87.1	Confident	68 Å²	68	63.4 Å²	63.4	35%	0.349	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	122.1	-174.7	-59.3	172	0	0	0	109.7	E171 K189 F190	E171-I173 PolarHBondContact O-N 2.97Å; I173-K189 HydrophobicContact CG2-CB 3.92Å; I173-K189 HydrophobicContact CG2-CD 4.31Å; I173-K189 HydrophobicContact CG2-CG 4.21Å; I173-F190 CarbonylContact C-O 3.49Å; I173-F190 WeakPolarHBondContact CA-O 3.19Å
174	T	92.5	Very high	88.5	Confident	5 Å²	5	67.5 Å²	67.5	3%	0.031	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	150.3	170.3	177.5	0	0	0	0	111.4	I176 K189 F190 L233 L238 N240	T174-I176 HydrophobicContact CG2-CD1 4.26Å; T174-I176 HydrophobicContact CG2-CG1 4.24Å; T174-K189 WeakPolarHBondContact O-CA 3.36Å; T174-F190 HydrophobicContact CG2-CB 4.19Å; T174-F190 VanDerWaalsContact CG2-O 3.28Å; T174-F190 WeakPolarHBondContact CG2-O 3.43Å; T174-F190 PolarHBondContact N-O 3.36Å; T174-F190 PolarHBondContact O-N 2.83Å; T174-L233 HydrophobicContact CG2-CD1 4Å; T174-L238 PolarHBondContact OG1-O 2.9Å; T174-N240 PolarHBondContact OG1-N 3.29Å
175	N	93.6	Very high	89.7	Confident	60 Å²	60	69.9 Å²	69.9	32%	0.321	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	105.8	173.7	-62.5	-81.9	0	0	0	109.4	K189 N240	N175-K189 WeakPolarHBondContact OD1-CE 3.41Å; N175-K189 WeakPolarHBondContact OD1-CG 3.45Å; N175-N240 WeakPolarHBondContact O-CA 3.42Å
176	I	93	Very high	90.3	Very high	0 Å²	0	69.9 Å²	69.9	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	134.1	-178.7	-66.6	-178	0	0	0	110.3	T174 I178 V187 Q188 F190 I199 L233 L238 I243	T174-I176 HydrophobicContact CG2-CD1 4.26Å; T174-I176 HydrophobicContact CG2-CG1 4.24Å; I176-I178 HydrophobicContact CG2-CG1 3.99Å; I176-V187 WeakPolarHBondContact O-CA 3.1Å; I176-Q188 PolarHBondContact N-O 3.22Å; I176-Q188 PolarHBondContact O-N 2.91Å; I176-F190 HydrophobicContact CB-CD2 4.12Å; I176-F190 HydrophobicContact CB-CE2 4.35Å; I176-F190 HydrophobicContact CD1-CD2 4.15Å; I176-F190 HydrophobicContact CG1-CD2 4.34Å; I176-I199 HydrophobicContact CD1-CD1 3.57Å; I176-I199 HydrophobicContact CG2-CD1 4.37Å; I176-L233 HydrophobicContact CD1-CD1 3.64Å; I176-L233 HydrophobicContact CD1-CD2 4.03Å; I176-L233 HydrophobicContact CD1-CG 4.32Å; I176-L238 HydrophobicContact CD1-CB 4.19Å; I176-I243 HydrophobicContact CD1-CD1 4.4Å; I176-I243 HydrophobicContact CG2-CB 4.46Å; I176-I243 HydrophobicContact CG2-CD1 3.6Å; I176-I243 HydrophobicContact CG2-CG1 3.88Å
177	Q	94	Very high	90.7	Very high	53 Å²	53	68.9 Å²	68.9	25%	0.248	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	118.3	176.3	-47.5	-174.3	29	0	0	109.1	R185 V187 A241 V242 I243	Q177-R185 VanDerWaalsContact OE1-CZ 3.26Å; Q177-V187 HydrophobicContact CG-CG2 4.27Å; Q177-A241 PolarHBondContact N-O 2.91Å; Q177-V242 HydrophobicContact CB-CG2 4.25Å; Q177-V242 CarbonylContact O-C 3.46Å; Q177-V242 WeakPolarHBondContact O-CA 3.34Å; Q177-I243 PolarHBondContact O-N 3.22Å
178	I	93.9	Very high	90.9	Very high	0 Å²	0	67.1 Å²	67.1	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	121	-176.7	-55.8	164.7	0	0	0	108.4	I176 L180 R185 I186 F190 I199 F202 I203 I243	I176-I178 HydrophobicContact CG2-CG1 3.99Å; I178-L180 HydrophobicContact CG2-CD2 4.1Å; I178-R185 WeakPolarHBondContact O-CA 3.14Å; I178-I186 HydrophobicContact CB-CD1 4.26Å; I178-I186 HydrophobicContact CB-CG1 3.7Å; I178-I186 HydrophobicContact CD1-CD1 4.26Å; I178-I186 HydrophobicContact CD1-CG1 4.3Å; I178-I186 HydrophobicContact CG1-CG1 4.48Å; I178-I186 HydrophobicContact CG2-CD1 4.44Å; I178-I186 HydrophobicContact CG2-CG1 4.28Å; I178-I186 PolarHBondContact N-O 2.88Å; I178-I186 PolarHBondContact O-N 3Å; I178-F190 HydrophobicContact CD1-CE2 4.46Å; I178-I199 HydrophobicContact CD1-CG2 3.74Å; I178-I199 HydrophobicContact CG1-CG2 4.26Å; I178-F202 HydrophobicContact CD1-CD1 3.84Å; I178-F202 HydrophobicContact CD1-CE1 3.87Å; I178-I203 HydrophobicContact CD1-CD1 4.39Å; I178-I203 HydrophobicContact CD1-CG1 4.27Å; I178-I203 HydrophobicContact CG2-CD1 3.65Å; I178-I203 HydrophobicContact CG2-CG1 4Å; I178-I243 CarbonylContact C-O 3.54Å; I178-I243 WeakPolarHBondContact CA-O 3.44Å
179	W	93.6	Very high	91.2	Very high	116 Å²	116	69 Å²	69	44%	0.439	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	110.1	168.2	-67.3	83.5	0	0	0	108.9	R185 I243 I244 Q245	W179-R185 HydrophobicContact CD2-CB 4.39Å; W179-R185 HydrophobicContact CE3-CB 4.3Å; W179-R185 HydrophobicContact CZ3-CB 4.43Å; W179-I243 PolarHBondContact N-O 2.88Å; W179-I244 HydrophobicContact CB-CG1 4.34Å; W179-Q245 WeakPolarHBondContact O-CB 3.44Å; W179-Q245 PolarHBondContact O-N 3.4Å
180	L	92.5	Very high	91.5	Very high	7 Å²	7	62.3 Å²	62.3	4%	0.037	33%	0.325	C	S	.	.			trans	-77.6	154.1	176.8	-62.6	172.3	0	0	0	110.7	I178 N182 G183 K184 I186 I203 Y206	I178-L180 HydrophobicContact CG2-CD2 4.1Å; L180-N182 VanDerWaalsContact CB-OD1 3.23Å; L180-N182 WeakPolarHBondContact CB-OD1 3.17Å; L180-N182 PolarHBondContact O-N 3.21Å; L180-N182 VanDerWaalsContact O-N 3.11Å; L180-G183 PolarHBondContact O-N 2.85Å; L180-K184 WeakPolarHBondContact CB-O 3.31Å; L180-K184 HydrophobicContact CD1-CB 4.26Å; L180-K184 PolarHBondContact N-O 2.85Å; L180-I186 HydrophobicContact CD1-CD1 4.16Å; L180-I186 HydrophobicContact CD1-CG2 4.1Å; L180-I186 HydrophobicContact CD2-CD1 4.22Å; L180-I186 HydrophobicContact CG-CD1 4.31Å; L180-I203 HydrophobicContact CD2-CG1 4.19Å; L180-I203 HydrophobicContact CD2-CG2 3.74Å; L180-Y206 HydrophobicContact CD1-CD1 3.81Å; L180-Y206 HydrophobicContact CD1-CE1 3.49Å; L180-Y206 VanDerWaalsContact CD1-CE1 3.49Å
181	A	89.3	Confident	91.7	Very high	50 Å²	50	54.7 Å²	54.7	41%	0.413	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-17.7	178.3	0	0	0	0	0	113.8	G183 Q245 L247	A181-G183 PolarHBondContact O-N 2.78Å; A181-Q245 HydrophobicContact CB-CG 4.39Å; A181-L247 HydrophobicContact CB-CD1 3.82Å; A181-L247 HydrophobicContact CB-CD2 3.72Å; A181-L247 HydrophobicContact CB-CG 3.54Å
182	N	86.5	Confident	91.9	Very high	87 Å²	87	52.9 Å²	52.9	47%	0.465	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	6.6	173.4	66.7	17.4	0	0	0	113.8	L180 K184	L180-N182 VanDerWaalsContact CB-OD1 3.23Å; L180-N182 WeakPolarHBondContact CB-OD1 3.17Å; L180-N182 PolarHBondContact O-N 3.21Å; L180-N182 VanDerWaalsContact O-N 3.11Å; N182-K184 VanDerWaalsContact C-N 3.28Å; N182-K184 PolarHBondContact O-N 3.42Å; N182-K184 VanDerWaalsContact OD1-CB 3.24Å; N182-K184 WeakPolarHBondContact OD1-CB 3.37Å; N182-K184 WeakPolarHBondContact OD1-CG 3.36Å; N182-K184 PolarHBondContact OD1-N 2.8Å
183	G	86.4	Confident	91.9	Very high	58 Å²	58	51.8 Å²	51.8	60%	0.598	27%	0.272	S	S	*	.	S	Bend	trans	80.4	-4	-179.6	0	0	0	0	0	115.1	L180 A181	L180-G183 PolarHBondContact O-N 2.85Å; A181-G183 PolarHBondContact O-N 2.78Å
184	K	90.6	Very high	91.9	Very high	122 Å²	122	49.8 Å²	49.8	53%	0.53	26%	0.261	S	S	.	.			trans	-78.9	135.9	174.5	-61.8	-179	179.4	-179.8	0	110.6	L180 N182	L180-K184 WeakPolarHBondContact CB-O 3.31Å; L180-K184 HydrophobicContact CD1-CB 4.26Å; L180-K184 PolarHBondContact N-O 2.85Å; N182-K184 VanDerWaalsContact C-N 3.28Å; N182-K184 PolarHBondContact O-N 3.42Å; N182-K184 VanDerWaalsContact OD1-CB 3.24Å; N182-K184 WeakPolarHBondContact OD1-CB 3.37Å; N182-K184 WeakPolarHBondContact OD1-CG 3.36Å; N182-K184 PolarHBondContact OD1-N 2.8Å
185	R	92.3	Very high	92	Very high	136 Å²	136	55.7 Å²	55.7	51%	0.513	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	128	168.2	174.8	175.6	167.3	-122.7	4	109.2	Q177 I178 W179	Q177-R185 VanDerWaalsContact OE1-CZ 3.26Å; I178-R185 WeakPolarHBondContact O-CA 3.14Å; W179-R185 HydrophobicContact CD2-CB 4.39Å; W179-R185 HydrophobicContact CE3-CB 4.3Å; W179-R185 HydrophobicContact CZ3-CB 4.43Å
186	I	92.1	Very high	92	Very high	19 Å²	19	52.9 Å²	52.9	10%	0.097	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	149.8	171.1	65.2	-178.2	0	0	0	109.2	I178 L180 F202 Y206	I178-I186 HydrophobicContact CB-CD1 4.26Å; I178-I186 HydrophobicContact CB-CG1 3.7Å; I178-I186 HydrophobicContact CD1-CD1 4.26Å; I178-I186 HydrophobicContact CD1-CG1 4.3Å; I178-I186 HydrophobicContact CG1-CG1 4.48Å; I178-I186 HydrophobicContact CG2-CD1 4.44Å; I178-I186 HydrophobicContact CG2-CG1 4.28Å; I178-I186 PolarHBondContact N-O 2.88Å; I178-I186 PolarHBondContact O-N 3Å; L180-I186 HydrophobicContact CD1-CD1 4.16Å; L180-I186 HydrophobicContact CD1-CG2 4.1Å; L180-I186 HydrophobicContact CD2-CD1 4.22Å; L180-I186 HydrophobicContact CG-CD1 4.31Å; I186-F202 HydrophobicContact CD1-CD1 4.44Å; I186-F202 HydrophobicContact CD1-CE1 3.54Å; I186-F202 HydrophobicContact CD1-CZ 4.18Å; I186-F202 HydrophobicContact CG1-CE1 4.43Å; I186-Y206 HydrophobicContact CD1-CD1 4.22Å; I186-Y206 HydrophobicContact CD1-CD2 4.47Å; I186-Y206 HydrophobicContact CD1-CE1 4.43Å; I186-Y206 HydrophobicContact CD1-CG 4.26Å; I186-Y206 HydrophobicContact CG2-CE1 4.04Å; I186-Y206 HydrophobicContact CG2-CE2 4.21Å
187	V	92.8	Very high	91.9	Very high	85 Å²	85	54.3 Å²	54.3	52%	0.515	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	121.7	175.8	-177	0	0	0	0	107.4	I176 Q177	I176-V187 WeakPolarHBondContact O-CA 3.1Å; Q177-V187 HydrophobicContact CG-CG2 4.27Å
188	Q	92.1	Very high	91.8	Very high	24 Å²	24	55.4 Å²	55.4	11%	0.112	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	140	-175.2	178.2	56.7	44.7	0	0	110	V165 I176 F190 F202	V165-Q188 HydrophobicContact CG2-CG 4.15Å; I176-Q188 PolarHBondContact N-O 3.22Å; I176-Q188 PolarHBondContact O-N 2.91Å; Q188-F190 HydrophobicContact CB-CD2 4.37Å; Q188-F190 HydrophobicContact CB-CE2 3.67Å; Q188-F190 HydrophobicContact CB-CZ 4.28Å; Q188-F190 HydrophobicContact CG-CD2 4.01Å; Q188-F190 HydrophobicContact CG-CE1 4.45Å; Q188-F190 HydrophobicContact CG-CE2 3.36Å; Q188-F190 HydrophobicContact CG-CZ 3.6Å; Q188-F202 HydrophobicContact CB-CD1 4.33Å; Q188-F202 HydrophobicContact CB-CE1 3.6Å; Q188-F202 HydrophobicContact CB-CE2 4.5Å; Q188-F202 HydrophobicContact CB-CZ 3.71Å; Q188-F202 HydrophobicContact CG-CD1 4.08Å; Q188-F202 HydrophobicContact CG-CD2 4.23Å; Q188-F202 HydrophobicContact CG-CE1 3.66Å; Q188-F202 HydrophobicContact CG-CE2 3.84Å; Q188-F202 HydrophobicContact CG-CG 4.34Å; Q188-F202 HydrophobicContact CG-CZ 3.54Å
189	K	93.4	Very high	91.7	Very high	113 Å²	113	55.4 Å²	55.4	49%	0.491	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	139.3	174.4	-70.1	-178.8	179.4	-173.7	0	110	L167 I173 T174 N175	L167-K189 HydrophobicContact CD1-CB 3.8Å; L167-K189 HydrophobicContact CD2-CB 4.48Å; I173-K189 HydrophobicContact CG2-CB 3.92Å; I173-K189 HydrophobicContact CG2-CD 4.31Å; I173-K189 HydrophobicContact CG2-CG 4.21Å; T174-K189 WeakPolarHBondContact O-CA 3.36Å; N175-K189 WeakPolarHBondContact OD1-CE 3.41Å; N175-K189 WeakPolarHBondContact OD1-CG 3.45Å
190	F	92.6	Very high	91.6	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	152.7	173.6	-66.9	-91.4	0	0	0	109	V165 I173 T174 I176 I178 Q188 H194 I199 F202 L233	V165-F190 HydrophobicContact CB-CE1 4.33Å; V165-F190 HydrophobicContact CG1-CD1 3.8Å; V165-F190 HydrophobicContact CG1-CE1 3.9Å; V165-F190 HydrophobicContact CG2-CD1 4.3Å; V165-F190 HydrophobicContact CG2-CE1 3.66Å; V165-F190 HydrophobicContact CG2-CZ 4.07Å; I173-F190 CarbonylContact C-O 3.49Å; I173-F190 WeakPolarHBondContact CA-O 3.19Å; T174-F190 HydrophobicContact CG2-CB 4.19Å; T174-F190 VanDerWaalsContact CG2-O 3.28Å; T174-F190 WeakPolarHBondContact CG2-O 3.43Å; T174-F190 PolarHBondContact N-O 3.36Å; T174-F190 PolarHBondContact O-N 2.83Å; I176-F190 HydrophobicContact CB-CD2 4.12Å; I176-F190 HydrophobicContact CB-CE2 4.35Å; I176-F190 HydrophobicContact CD1-CD2 4.15Å; I176-F190 HydrophobicContact CG1-CD2 4.34Å; I178-F190 HydrophobicContact CD1-CE2 4.46Å; Q188-F190 HydrophobicContact CB-CD2 4.37Å; Q188-F190 HydrophobicContact CB-CE2 3.67Å; Q188-F190 HydrophobicContact CB-CZ 4.28Å; Q188-F190 HydrophobicContact CG-CD2 4.01Å; Q188-F190 HydrophobicContact CG-CE1 4.45Å; Q188-F190 HydrophobicContact CG-CE2 3.36Å; Q188-F190 HydrophobicContact CG-CZ 3.6Å; F190-H194 AromaticContact CD1-ND1 3.72Å; F190-I199 HydrophobicContact CD1-CG1 4.32Å; F190-I199 HydrophobicContact CE1-CG1 3.85Å; F190-I199 HydrophobicContact CE2-CD1 4.44Å; F190-I199 HydrophobicContact CE2-CG1 4.08Å; F190-I199 HydrophobicContact CZ-CB 4.26Å; F190-I199 HydrophobicContact CZ-CG1 3.73Å; F190-I199 HydrophobicContact CZ-CG2 4.42Å; F190-F202 HydrophobicContact CZ-CB 4.23Å; F190-F202 HydrophobicContact CZ-CD1 4.13Å; F190-F202 HydrophobicContact CZ-CG 4.22Å; F190-L233 HydrophobicContact CB-CD1 3.53Å; F190-L233 HydrophobicContact CG-CD1 4.1Å
191	N	93.6	Very high	91.5	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	149.5	165.9	-67.3	17.6	0	0	0	109.8	L167 N168 E171 P172 S193 H194	L167-N191 WeakPolarHBondContact CD2-OD1 3.16Å; N168-N191 WeakPolarHBondContact CA-ND2 3.43Å; N168-N191 WeakPolarHBondContact CB-ND2 3.03Å; N168-N191 PolarHBondContact N-ND2 2.98Å; N168-N191 PolarHBondContact O-ND2 3.3Å; E171-N191 HydrophobicContact CB-CB 4.32Å; E171-N191 PolarHBondContact OE2-ND2 3.17Å; P172-N191 WeakPolarHBondContact O-CA 3.3Å; N191-S193 PolarHBondContact O-N 2.66Å; N191-H194 PolarHBondContact N-ND1 3.36Å; N191-H194 VanDerWaalsContact N-ND1 3.18Å; N191-H194 WeakPolarHBondContact O-CB 3.12Å; N191-H194 PolarHBondContact O-N 3.37Å; N191-H194 VanDerWaalsContact O-N 3.08Å
192	I	92.1	Very high	91.6	Very high	27 Å²	27	52.5 Å²	52.5	14%	0.138	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-31.3	178.6	67	171	0	0	0	112.9	P172 H194 L233 E234	P172-I192 HydrophobicContact CG-CD1 3.47Å; P172-I192 VanDerWaalsContact CG-CD1 3.47Å; P172-I192 HydrophobicContact CG-CG1 3.75Å; P172-I192 HydrophobicContact CG-CG2 4.19Å; P172-I192 PolarHBondContact O-N 3.15Å; P172-I192 VanDerWaalsContact O-N 3.14Å; I192-H194 PolarHBondContact O-N 3.21Å; I192-L233 PolarHBondContact O-N 3.13Å; I192-E234 HydrophobicContact CB-CB 4.46Å
193	S	91.4	Very high	91.8	Very high	58 Å²	58	48.3 Å²	48.3	41%	0.406	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-11.5	179.2	-42.5	0	0	0	0	114.2	E171 N191	E171-S193 WeakPolarHBondContact OE1-CB 3.43Å; E171-S193 PolarHBondContact OE1-OG 3.04Å; N191-S193 PolarHBondContact O-N 2.66Å
194	H	92.9	Very high	91.9	Very high	25 Å²	25	49.7 Å²	49.7	12%	0.116	23%	0.234	C	C	.	.			trans	-70.1	162.4	175.7	-70.4	151	0	0	0	112	P166 F190 N191 I192 H198 T232 L233	P166-H194 PolarHBondContact O-CE1 2.86Å; P166-H194 PolarHBondContact O-NE2 2.65Å; F190-H194 AromaticContact CD1-ND1 3.72Å; N191-H194 PolarHBondContact N-ND1 3.36Å; N191-H194 VanDerWaalsContact N-ND1 3.18Å; N191-H194 WeakPolarHBondContact O-CB 3.12Å; N191-H194 PolarHBondContact O-N 3.37Å; N191-H194 VanDerWaalsContact O-N 3.08Å; I192-H194 PolarHBondContact O-N 3.21Å; H194-H198 AromaticContact CD2-ND1 3.55Å; H194-H198 AromaticContact CG-ND1 3.77Å; H194-T232 CarbonylContact O-C 2.88Å; H194-T232 WeakPolarHBondContact O-CA 3.2Å; H194-L233 HydrophobicContact CB-CD1 4Å; H194-L233 HydrophobicContact CB-CG 4.33Å; H194-L233 WeakPolarHBondContact O-CG 3.47Å; H194-L233 PolarHBondContact O-N 3.15Å
195	R	93.6	Very high	91.7	Very high	130 Å²	130	50 Å²	50	49%	0.491	24%	0.236	S	C	.	.	B	Isolated β-bridge	trans	-102.5	160.3	174.1	-71.9	-178.6	172.9	162.2	0.3	112.4	S197 H198 T230 L231 T232	R195-S197 WeakPolarHBondContact CB-OG 3.12Å; R195-S197 PolarHBondContact O-N 3.43Å; R195-H198 PolarHBondContact N-ND1 2.6Å; R195-H198 WeakPolarHBondContact O-CB 3.37Å; R195-H198 PolarHBondContact O-N 3.49Å; R195-T230 WeakPolarHBondContact CD-O 3.36Å; R195-T230 PolarHBondContact NE-O 2.77Å; R195-T230 VanDerWaalsContact NE-O 3.13Å; R195-L231 VanDerWaalsContact CA-O 3.24Å; R195-L231 WeakPolarHBondContact CA-O 3.46Å; R195-L231 WeakPolarHBondContact CB-O 3.05Å; R195-T232 HydrophobicContact CG-CG2 4.32Å
196	V	92.8	Very high	91.5	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.006	22%	0.221	C	C	.	.	H	α-helix	trans	-54.8	-34.1	170.3	175.3	0	0	0	0	111.4	H198 I199 K200 L217 L227 D228 L231 L233 A236 L238	V196-H198 VanDerWaalsContact C-N 3.32Å; V196-H198 PolarHBondContact O-N 3Å; V196-I199 WeakPolarHBondContact O-CB 3.45Å; V196-I199 PolarHBondContact O-N 3.34Å; V196-I199 VanDerWaalsContact O-N 3.08Å; V196-K200 PolarHBondContact O-N 3.16Å; V196-L217 HydrophobicContact CG1-CD1 3.92Å; V196-L227 HydrophobicContact CG1-CB 3.8Å; V196-L227 HydrophobicContact CG1-CD1 4.43Å; V196-L227 HydrophobicContact CG2-CB 4.33Å; V196-D228 WeakPolarHBondContact CB-O 3.21Å; V196-L231 PolarHBondContact N-O 3.41Å; V196-L233 HydrophobicContact CG2-CD2 4.43Å; V196-A236 HydrophobicContact CG2-CB 4.45Å; V196-L238 HydrophobicContact CG2-CD1 3.86Å
197	S	91.8	Very high	91.1	Very high	29 Å²	29	47.9 Å²	47.9	20%	0.203	23%	0.229	C	C	.	.	H	α-helix	trans	-54.2	-42.2	172.3	62.5	0	0	0	0	113.3	R195 I199 K200 D201 E229	R195-S197 WeakPolarHBondContact CB-OG 3.12Å; R195-S197 PolarHBondContact O-N 3.43Å; S197-I199 PolarHBondContact O-N 3.08Å; S197-K200 WeakPolarHBondContact O-CA 3.35Å; S197-K200 WeakPolarHBondContact O-CB 3.27Å; S197-K200 PolarHBondContact O-N 3.19Å; S197-D201 VanDerWaalsContact O-CG 3.31Å; S197-D201 PolarHBondContact O-N 3.43Å; S197-E229 WeakPolarHBondContact CB-O 3.29Å; S197-E229 PolarHBondContact N-O 2.97Å; S197-E229 VanDerWaalsContact N-O 3.13Å
198	H	92.3	Very high	90.2	Very high	76 Å²	76	45.5 Å²	45.5	35%	0.352	22%	0.222	S	C	.	.	H	α-helix	trans	-65.8	-26.5	179.6	-57.8	159	0	0	0	112.6	H194 R195 V196 F202	H194-H198 AromaticContact CD2-ND1 3.55Å; H194-H198 AromaticContact CG-ND1 3.77Å; R195-H198 PolarHBondContact N-ND1 2.6Å; R195-H198 WeakPolarHBondContact O-CB 3.37Å; R195-H198 PolarHBondContact O-N 3.49Å; V196-H198 VanDerWaalsContact C-N 3.32Å; V196-H198 PolarHBondContact O-N 3Å; H198-F202 VanDerWaalsContact O-CB 3.31Å; H198-F202 WeakPolarHBondContact O-CB 3.41Å; H198-F202 PolarHBondContact O-N 3.48Å
199	I	91.8	Very high	88.6	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-71.5	-41.5	173.2	-56.4	-172.6	0	0	0	110.1	I176 I178 F190 V196 S197 F202 I203 L217 L233 I243	I176-I199 HydrophobicContact CD1-CD1 3.57Å; I176-I199 HydrophobicContact CG2-CD1 4.37Å; I178-I199 HydrophobicContact CD1-CG2 3.74Å; I178-I199 HydrophobicContact CG1-CG2 4.26Å; F190-I199 HydrophobicContact CD1-CG1 4.32Å; F190-I199 HydrophobicContact CE1-CG1 3.85Å; F190-I199 HydrophobicContact CE2-CD1 4.44Å; F190-I199 HydrophobicContact CE2-CG1 4.08Å; F190-I199 HydrophobicContact CZ-CB 4.26Å; F190-I199 HydrophobicContact CZ-CG1 3.73Å; F190-I199 HydrophobicContact CZ-CG2 4.42Å; V196-I199 WeakPolarHBondContact O-CB 3.45Å; V196-I199 PolarHBondContact O-N 3.34Å; V196-I199 VanDerWaalsContact O-N 3.08Å; S197-I199 PolarHBondContact O-N 3.08Å; I199-F202 PolarHBondContact O-N 2.93Å; I199-I203 HydrophobicContact CG2-CD1 4.01Å; I199-I203 WeakPolarHBondContact O-CD1 3.12Å; I199-I203 VanDerWaalsContact O-CG1 3.27Å; I199-I203 WeakPolarHBondContact O-CG1 3.29Å; I199-I203 PolarHBondContact O-N 3.41Å; I199-L217 HydrophobicContact CB-CD1 4.09Å; I199-L217 HydrophobicContact CG2-CD1 3.93Å; I199-L233 HydrophobicContact CD1-CD1 4.47Å; I199-L233 HydrophobicContact CD1-CD2 3.52Å; I199-L233 HydrophobicContact CG1-CD2 4.26Å; I199-I243 HydrophobicContact CD1-CD1 3.53Å; I199-I243 HydrophobicContact CG2-CD1 4.42Å
200	K	90.9	Very high	87.1	Confident	45 Å²	45	53.1 Å²	53.1	20%	0.196	27%	0.274	C	S	.	.	H	α-helix	trans	-62.2	-48.8	174.7	-175.8	-178.9	171.7	-173.5	0	111.1	V196 S197 F202 I203 E204 F215 L217 E229	V196-K200 PolarHBondContact O-N 3.16Å; S197-K200 WeakPolarHBondContact O-CA 3.35Å; S197-K200 WeakPolarHBondContact O-CB 3.27Å; S197-K200 PolarHBondContact O-N 3.19Å; K200-F202 VanDerWaalsContact C-N 3.28Å; K200-F202 PolarHBondContact O-N 3.39Å; K200-I203 PolarHBondContact O-N 3.08Å; K200-I203 VanDerWaalsContact O-N 3.08Å; K200-E204 WeakPolarHBondContact CE-OE1 3.28Å; K200-E204 WeakPolarHBondContact O-CG 3.45Å; K200-E204 PolarHBondContact O-N 3.42Å; K200-F215 HydrophobicContact CG-CE2 3.86Å; K200-F215 HydrophobicContact CG-CZ 3.73Å; K200-L217 HydrophobicContact CB-CD1 4.27Å; K200-E229 HydrophobicContact CD-CG 4.46Å; K200-E229 WeakPolarHBondContact CD-OE1 3.48Å; K200-E229 WeakPolarHBondContact CD-OE2 3.43Å; K200-E229 IonicContact NZ-OE1 2.68Å; K200-E229 PolarHBondContact NZ-OE1 2.96Å; K200-E229 IonicContact NZ-OE2 2.65Å; K200-E229 PolarHBondContact NZ-OE2 2.92Å
201	D	90.3	Very high	85.7	Confident	62 Å²	62	64.5 Å²	64.5	33%	0.332	32%	0.317	S	S	.	.	H	α-helix	trans	-56.4	-41.4	174.7	-63.3	-23.4	0	0	0	112.2	S197 K205	S197-D201 VanDerWaalsContact O-CG 3.31Å; S197-D201 PolarHBondContact O-N 3.43Å; D201-K205 WeakPolarHBondContact O-CB 3.13Å; D201-K205 WeakPolarHBondContact O-CD 3.3Å; D201-K205 WeakPolarHBondContact O-CG 3.24Å; D201-K205 PolarHBondContact O-N 3.06Å
202	F	91.5	Very high	84.6	Confident	5 Å²	5	65.9 Å²	65.9	2%	0.022	33%	0.327	C	S	.	.	H	α-helix	trans	-63.9	-43	176.2	169.5	-104.8	0	0	0	111.7	S163 V165 I178 I186 Q188 F190 H198 I199 K200 K205 Y206	S163-F202 VanDerWaalsContact O-CD2 3.27Å; S163-F202 WeakPolarHBondContact O-CD2 3.46Å; S163-F202 VanDerWaalsContact O-CE2 3.3Å; S163-F202 WeakPolarHBondContact O-CE2 3.46Å; V165-F202 HydrophobicContact CG2-CB 4.11Å; V165-F202 HydrophobicContact CG2-CD2 3.65Å; V165-F202 HydrophobicContact CG2-CE2 4.36Å; V165-F202 HydrophobicContact CG2-CG 4.04Å; I178-F202 HydrophobicContact CD1-CD1 3.84Å; I178-F202 HydrophobicContact CD1-CE1 3.87Å; I186-F202 HydrophobicContact CD1-CD1 4.44Å; I186-F202 HydrophobicContact CD1-CE1 3.54Å; I186-F202 HydrophobicContact CD1-CZ 4.18Å; I186-F202 HydrophobicContact CG1-CE1 4.43Å; Q188-F202 HydrophobicContact CB-CD1 4.33Å; Q188-F202 HydrophobicContact CB-CE1 3.6Å; Q188-F202 HydrophobicContact CB-CE2 4.5Å; Q188-F202 HydrophobicContact CB-CZ 3.71Å; Q188-F202 HydrophobicContact CG-CD1 4.08Å; Q188-F202 HydrophobicContact CG-CD2 4.23Å; Q188-F202 HydrophobicContact CG-CE1 3.66Å; Q188-F202 HydrophobicContact CG-CE2 3.84Å; Q188-F202 HydrophobicContact CG-CG 4.34Å; Q188-F202 HydrophobicContact CG-CZ 3.54Å; F190-F202 HydrophobicContact CZ-CB 4.23Å; F190-F202 HydrophobicContact CZ-CD1 4.13Å; F190-F202 HydrophobicContact CZ-CG 4.22Å; H198-F202 VanDerWaalsContact O-CB 3.31Å; H198-F202 WeakPolarHBondContact O-CB 3.41Å; H198-F202 PolarHBondContact O-N 3.48Å; I199-F202 PolarHBondContact O-N 2.93Å; K200-F202 VanDerWaalsContact C-N 3.28Å; K200-F202 PolarHBondContact O-N 3.39Å; F202-K205 PolarHBondContact O-N 3.04Å; F202-Y206 WeakPolarHBondContact O-CB 3.34Å; F202-Y206 PolarHBondContact O-N 3.07Å
203	I	90.2	Very high	84	Confident	0 Å²	0	67.7 Å²	67.7	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-65.2	-43	177.2	-68.4	161.9	0	0	0	111.1	I178 L180 I199 K200 Y206 Q207 F215 L217	I178-I203 HydrophobicContact CD1-CD1 4.39Å; I178-I203 HydrophobicContact CD1-CG1 4.27Å; I178-I203 HydrophobicContact CG2-CD1 3.65Å; I178-I203 HydrophobicContact CG2-CG1 4Å; L180-I203 HydrophobicContact CD2-CG1 4.19Å; L180-I203 HydrophobicContact CD2-CG2 3.74Å; I199-I203 HydrophobicContact CG2-CD1 4.01Å; I199-I203 WeakPolarHBondContact O-CD1 3.12Å; I199-I203 VanDerWaalsContact O-CG1 3.27Å; I199-I203 WeakPolarHBondContact O-CG1 3.29Å; I199-I203 PolarHBondContact O-N 3.41Å; K200-I203 PolarHBondContact O-N 3.08Å; K200-I203 VanDerWaalsContact O-N 3.08Å; I203-Y206 PolarHBondContact O-N 2.96Å; I203-Q207 HydrophobicContact CG2-CG 4.46Å; I203-Q207 VanDerWaalsContact CG2-NE2 3.34Å; I203-Q207 WeakPolarHBondContact O-CG 3.43Å; I203-Q207 PolarHBondContact O-N 2.89Å; I203-F215 HydrophobicContact CB-CE2 4.46Å; I203-F215 HydrophobicContact CB-CZ 4.03Å; I203-F215 HydrophobicContact CD1-CE2 4.31Å; I203-F215 HydrophobicContact CG2-CE1 4.29Å; I203-F215 HydrophobicContact CG2-CE2 4.15Å; I203-F215 HydrophobicContact CG2-CZ 3.68Å; I203-L217 HydrophobicContact CD1-CD2 3.6Å
204	E	88.5	Confident	83.8	Confident	86 Å²	86	68 Å²	68	40%	0.402	34%	0.341	S	S	.	.	H	α-helix	trans	-61.7	-46.8	176.8	-71.1	179.1	-166.2	0	0	111.2	K200 Y206 Q207 G208 F215	K200-E204 WeakPolarHBondContact CE-OE1 3.28Å; K200-E204 WeakPolarHBondContact O-CG 3.45Å; K200-E204 PolarHBondContact O-N 3.42Å; E204-Y206 VanDerWaalsContact C-N 3.31Å; E204-Y206 PolarHBondContact O-N 3.37Å; E204-Q207 PolarHBondContact O-N 3.2Å; E204-G208 PolarHBondContact O-N 3.24Å; E204-G208 VanDerWaalsContact O-N 3.12Å; E204-F215 HydrophobicContact CG-CE1 3.87Å; E204-F215 HydrophobicContact CG-CZ 4.03Å
205	K	88.1	Confident	83.7	Confident	128 Å²	128	67.3 Å²	67.3	56%	0.557	34%	0.338	S	S	*	.	H	α-helix	trans	-63.8	-34.8	175.2	-67.2	167.5	-159.8	172.9	0	112.6	S163 D201 F202 G208	S163-K205 WeakPolarHBondContact OG-CB 3.12Å; S163-K205 VanDerWaalsContact OG-CD 3.25Å; S163-K205 WeakPolarHBondContact OG-CD 3.46Å; D201-K205 WeakPolarHBondContact O-CB 3.13Å; D201-K205 WeakPolarHBondContact O-CD 3.3Å; D201-K205 WeakPolarHBondContact O-CG 3.24Å; D201-K205 PolarHBondContact O-N 3.06Å; F202-K205 PolarHBondContact O-N 3.04Å; K205-G208 PolarHBondContact O-N 3.37Å
206	Y	86.6	Confident	83.6	Confident	55 Å²	55	62 Å²	62	22%	0.216	32%	0.321	C	S	.	.	H	α-helix	trans	-71.5	-35.7	177.7	-179	-90.1	0	0	0	113.1	L162 L180 I186 F202 I203 E204 G208	L162-Y206 HydrophobicContact CD2-CE2 4.34Å; L180-Y206 HydrophobicContact CD1-CD1 3.81Å; L180-Y206 HydrophobicContact CD1-CE1 3.49Å; L180-Y206 VanDerWaalsContact CD1-CE1 3.49Å; I186-Y206 HydrophobicContact CD1-CD1 4.22Å; I186-Y206 HydrophobicContact CD1-CD2 4.47Å; I186-Y206 HydrophobicContact CD1-CE1 4.43Å; I186-Y206 HydrophobicContact CD1-CG 4.26Å; I186-Y206 HydrophobicContact CG2-CE1 4.04Å; I186-Y206 HydrophobicContact CG2-CE2 4.21Å; F202-Y206 WeakPolarHBondContact O-CB 3.34Å; F202-Y206 PolarHBondContact O-N 3.07Å; I203-Y206 PolarHBondContact O-N 2.96Å; E204-Y206 VanDerWaalsContact C-N 3.31Å; E204-Y206 PolarHBondContact O-N 3.37Å; Y206-G208 VanDerWaalsContact C-N 3.29Å
207	Q	83.8	Confident	83.6	Confident	56 Å²	56	62.3 Å²	62.3	26%	0.262	32%	0.322	S	S	.	.	H	α-helix	trans	-78	-16	175.6	-65.1	-167.7	44.6	0	0	112.8	I203 E204	I203-Q207 HydrophobicContact CG2-CG 4.46Å; I203-Q207 VanDerWaalsContact CG2-NE2 3.34Å; I203-Q207 WeakPolarHBondContact O-CG 3.43Å; I203-Q207 PolarHBondContact O-N 2.89Å; E204-Q207 PolarHBondContact O-N 3.2Å
208	G	73.6	Confident	83.5	Confident	35 Å²	35	61 Å²	61	36%	0.361	31%	0.313	S	S	.	.			trans	79.1	-173.7	174.4	0	0	0	0	0	113.3	E204 K205 Y206 Q210	E204-G208 PolarHBondContact O-N 3.24Å; E204-G208 VanDerWaalsContact O-N 3.12Å; K205-G208 PolarHBondContact O-N 3.37Å; Y206-G208 VanDerWaalsContact C-N 3.29Å; G208-Q210 PolarHBondContact O-N 2.94Å
209	S	59.4	Low	83.5	Confident	137 Å²	137	58.3 Å²	58.3	96%	0.958	30%	0.302	S	S	*	.	S	Bend	trans	-65.2	4.9	-172.4	-151.3	0	0	0	0	115.6	R211	S209-R211 PolarHBondContact O-N 3.2Å
210	Q	61.2	Low	82.7	Confident	160 Å²	160	59.6 Å²	59.6	75%	0.748	31%	0.313	S	S	*	.	S	Bend	trans	-72.5	125.7	167	-77.3	-71.1	15.1	0	0	109.1	G208 S212	G208-Q210 PolarHBondContact O-N 2.94Å; Q210-S212 VanDerWaalsContact C-N 3.3Å; Q210-S212 PolarHBondContact O-N 2.89Å
211	R	64.1	Low	81.8	Confident	239 Å²	239	64.4 Å²	64.4	90%	0.902	34%	0.34	S	S	*	.			trans	-59.9	89.3	-179.1	-173	178.7	-170.2	157.8	3	110.3	S209	S209-R211 PolarHBondContact O-N 3.2Å
212	S	69.4	Low	80.5	Confident	30 Å²	30	68 Å²	68	21%	0.21	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-58.8	129.7	179.2	-68.5	0	0	0	0	108.5	Q210	Q210-S212 VanDerWaalsContact C-N 3.3Å; Q210-S212 PolarHBondContact O-N 2.89Å
213	P	81.1	Confident	79.6	Confident	64 Å²	64	71.9 Å²	71.9	42%	0.416	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-55.7	145.6	174.8	-24.1	33.6	0	0	0	110.1	F215 L247	P213-F215 WeakPolarHBondContact O-CD1 3.26Å; P213-F215 PolarHBondContact O-N 2.78Å; P213-L247 HydrophobicContact CB-CD2 4.42Å
214	P	87.1	Confident	78.9	Confident	65 Å²	65	76.4 Å²	76.4	42%	0.422	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-52.7	129.9	178.7	22.7	-33.2	0	0	0	109.5	Q248	P214-Q248 HydrophobicContact CG-CB 4.41Å; P214-Q248 VanDerWaalsContact O-CB 3.31Å; P214-Q248 WeakPolarHBondContact O-CB 3.19Å; P214-Q248 PolarHBondContact O-N 2.9Å
215	F	89.9	Confident	78.5	Confident	10 Å²	10	80.8 Å²	80.8	4%	0.044	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	156.7	-174.5	69.4	-96	0	0	0	111	K200 I203 E204 P213 L217 Q245 R246 L247	K200-F215 HydrophobicContact CG-CE2 3.86Å; K200-F215 HydrophobicContact CG-CZ 3.73Å; I203-F215 HydrophobicContact CB-CE2 4.46Å; I203-F215 HydrophobicContact CB-CZ 4.03Å; I203-F215 HydrophobicContact CD1-CE2 4.31Å; I203-F215 HydrophobicContact CG2-CE1 4.29Å; I203-F215 HydrophobicContact CG2-CE2 4.15Å; I203-F215 HydrophobicContact CG2-CZ 3.68Å; E204-F215 HydrophobicContact CG-CE1 3.87Å; E204-F215 HydrophobicContact CG-CZ 4.03Å; P213-F215 WeakPolarHBondContact O-CD1 3.26Å; P213-F215 PolarHBondContact O-N 2.78Å; F215-L217 HydrophobicContact CD2-CD2 4.22Å; F215-L217 HydrophobicContact CE2-CD2 3.98Å; F215-L217 HydrophobicContact CE2-CG 4.44Å; F215-Q245 HydrophobicContact CB-CG 4.01Å; F215-Q245 HydrophobicContact CD2-CG 3.58Å; F215-Q245 HydrophobicContact CE2-CG 4.16Å; F215-Q245 HydrophobicContact CG-CG 3.83Å; F215-Q245 VanDerWaalsContact CG-NE2 3.31Å; F215-R246 CarbonylContact C-O 3.6Å; F215-R246 WeakPolarHBondContact CA-O 3.46Å; F215-R246 WeakPolarHBondContact CB-O 3.24Å; F215-L247 HydrophobicContact CB-CD2 3.99Å
216	S	91.3	Very high	78.3	Confident	19 Å²	19	80 Å²	80	13%	0.133	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	152.8	173.5	-57.9	0	0	0	0	109.9	R246 Q248	S216-R246 PolarHBondContact N-O 3.42Å; S216-R246 PolarHBondContact O-N 3.33Å; S216-Q248 PolarHBondContact OG-NE2 3.03Å
217	L	91.9	Very high	78.1	Confident	7 Å²	7	78.2 Å²	78.2	4%	0.037	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	141.5	176.7	-61.2	177.5	0	0	0	109.4	V196 I199 K200 I203 F215 L227 I243	V196-L217 HydrophobicContact CG1-CD1 3.92Å; I199-L217 HydrophobicContact CB-CD1 4.09Å; I199-L217 HydrophobicContact CG2-CD1 3.93Å; K200-L217 HydrophobicContact CB-CD1 4.27Å; I203-L217 HydrophobicContact CD1-CD2 3.6Å; F215-L217 HydrophobicContact CD2-CD2 4.22Å; F215-L217 HydrophobicContact CE2-CD2 3.98Å; F215-L217 HydrophobicContact CE2-CG 4.44Å; L217-L227 HydrophobicContact CB-CB 4.32Å; L217-L227 HydrophobicContact CB-CD1 4.17Å; L217-L227 PolarHBondContact O-N 3.01Å; L217-I243 HydrophobicContact CB-CG2 3.83Å; L217-I243 HydrophobicContact CD1-CG2 4.47Å; L217-I243 HydrophobicContact CD2-CG2 3.91Å; L217-I243 HydrophobicContact CG-CG2 4.28Å
218	A	91.2	Very high	78.2	Confident	1 Å²	1	80.1 Å²	80.1	1%	0.008	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	138.8	176.8	0	0	0	0	0	111.3	R225 I243 I244	A218-R225 WeakPolarHBondContact CA-O 2.93Å; A218-R225 WeakPolarHBondContact CB-O 3.1Å; A218-I243 CarbonylContact O-C 3.48Å; A218-I244 PolarHBondContact N-O 3.14Å; A218-I244 PolarHBondContact O-N 3.22Å
219	T	90.8	Very high	78.9	Confident	20 Å²	20	82.5 Å²	82.5	12%	0.123	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	140.1	178.2	-52.5	0	0	0	0	110.8	R225 L227 L238	T219-R225 PolarHBondContact N-O 3.41Å; T219-R225 VanDerWaalsContact N-O 3.15Å; T219-L227 WeakPolarHBondContact OG1-CD2 3.41Å; T219-L238 HydrophobicContact CG2-CD2 4.13Å; T219-L238 WeakPolarHBondContact OG1-CD2 3.42Å
220	A	77	Confident	80.3	Confident	28 Å²	28	80.9 Å²	80.9	23%	0.231	42%	0.421	C	S	.	.			trans	-87.3	126.3	165.7	0	0	0	0	0	110.1	V242 I244	A220-V242 HydrophobicContact CB-CB 4.11Å; A220-V242 HydrophobicContact CB-CG1 4.05Å; A220-V242 PolarHBondContact N-O 3Å; A220-I244 HydrophobicContact CB-CD1 4.03Å
221	L	71.1	Confident	81.7	Confident	146 Å²	146	75.9 Å²	75.9	76%	0.764	40%	0.399	S	S	*	.	S	Bend	trans	86	147	177.8	-52.2	163.6	0	0	0	116.5	V223	L221-V223 VanDerWaalsContact C-N 3.27Å
222	P	63.4	Low	83.1	Confident	136 Å²	136	65.8 Å²	65.8	88%	0.883	36%	0.364	S	S	*	.	S	Bend	cis	-73.2	-19.8	-30.3	32	-33.4	0	0	0	111.6
223	V	72.6	Confident	84.1	Confident	87 Å²	87	64.4 Å²	64.4	53%	0.527	35%	0.354	S	S	.	.	S	Bend	trans	-119.5	134.3	175.8	178	0	0	0	0	108.5	L221 R225	L221-V223 VanDerWaalsContact C-N 3.27Å; V223-R225 VanDerWaalsContact C-N 3.32Å; V223-R225 HydrophobicContact CB-CG 4.37Å; V223-R225 HydrophobicContact CG1-CG 4.16Å; V223-R225 PolarHBondContact O-N 3.23Å
224	L	75.8	Confident	84.6	Confident	95 Å²	95	66.8 Å²	66.8	50%	0.497	36%	0.36	S	S	.	.			trans	-67.7	88.5	172.7	-75	156.9	0	0	0	110.1	I244	L224-I244 HydrophobicContact CD2-CD1 4.2Å
225	R	80.2	Confident	84.7	Confident	179 Å²	179	70 Å²	70	68%	0.675	37%	0.369	S	S	*	.	P	Polyproline II helix	trans	-92.5	138.8	175.4	-67	-178.1	177.7	178.5	-0.4	110	A218 T219 V223	A218-R225 WeakPolarHBondContact CA-O 2.93Å; A218-R225 WeakPolarHBondContact CB-O 3.1Å; T219-R225 PolarHBondContact N-O 3.41Å; T219-R225 VanDerWaalsContact N-O 3.15Å; V223-R225 VanDerWaalsContact C-N 3.32Å; V223-R225 HydrophobicContact CB-CG 4.37Å; V223-R225 HydrophobicContact CG1-CG 4.16Å; V223-R225 PolarHBondContact O-N 3.23Å
226	L	82.4	Confident	84.5	Confident	110 Å²	110	70.5 Å²	70.5	58%	0.576	38%	0.375	S	S	*	.	B	Isolated β-bridge	trans	-66.6	140.4	164.4	-156.3	93.8	0	0	0	107.9
227	L	83.1	Confident	84.3	Confident	18 Å²	18	75.5 Å²	75.5	9%	0.094	40%	0.4	C	S	.	.	P	Polyproline II helix	trans	-96.2	128.5	176.2	-70.9	171.8	0	0	0	110.7	V196 L217 T219 A236 L238 I243	V196-L227 HydrophobicContact CG1-CB 3.8Å; V196-L227 HydrophobicContact CG1-CD1 4.43Å; V196-L227 HydrophobicContact CG2-CB 4.33Å; L217-L227 HydrophobicContact CB-CB 4.32Å; L217-L227 HydrophobicContact CB-CD1 4.17Å; L217-L227 PolarHBondContact O-N 3.01Å; T219-L227 WeakPolarHBondContact OG1-CD2 3.41Å; L227-A236 HydrophobicContact CD2-CB 4.17Å; L227-L238 HydrophobicContact CD1-CD1 3.86Å; L227-L238 HydrophobicContact CD1-CD2 4.08Å; L227-L238 HydrophobicContact CD2-CD1 4.19Å; L227-L238 HydrophobicContact CD2-CD2 4.25Å; L227-I243 HydrophobicContact CD1-CD1 4.06Å; L227-I243 HydrophobicContact CD1-CG1 4.26Å; L227-I243 HydrophobicContact CD1-CG2 4.27Å
228	D	86.6	Confident	84.2	Confident	97 Å²	97	75.1 Å²	75.1	52%	0.519	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-76	131.6	173	-64.4	-50.9	0	0	0	110.5	V196 T230 L231	V196-D228 WeakPolarHBondContact CB-O 3.21Å; D228-T230 PolarHBondContact O-N 2.95Å; D228-T230 VanDerWaalsContact O-N 3.16Å; D228-L231 HydrophobicContact CB-CD1 4.09Å; D228-L231 HydrophobicContact CB-CG 4.17Å; D228-L231 PolarHBondContact O-N 3.25Å
229	E	87.6	Confident	84.1	Confident	85 Å²	85	80 Å²	80	40%	0.397	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-17.8	-171.5	-63.2	-179.1	-160.7	0	0	113.5	S197 K200	S197-E229 WeakPolarHBondContact CB-O 3.29Å; S197-E229 PolarHBondContact N-O 2.97Å; S197-E229 VanDerWaalsContact N-O 3.13Å; K200-E229 HydrophobicContact CD-CG 4.46Å; K200-E229 WeakPolarHBondContact CD-OE1 3.48Å; K200-E229 WeakPolarHBondContact CD-OE2 3.43Å; K200-E229 IonicContact NZ-OE1 2.68Å; K200-E229 PolarHBondContact NZ-OE1 2.96Å; K200-E229 IonicContact NZ-OE2 2.65Å; K200-E229 PolarHBondContact NZ-OE2 2.92Å
230	T	89.6	Confident	84.1	Confident	102 Å²	102	84 Å²	84	63%	0.626	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-22.3	-177.6	51.3	0	0	0	0	114.4	R195 D228	R195-T230 WeakPolarHBondContact CD-O 3.36Å; R195-T230 PolarHBondContact NE-O 2.77Å; R195-T230 VanDerWaalsContact NE-O 3.13Å; D228-T230 PolarHBondContact O-N 2.95Å; D228-T230 VanDerWaalsContact O-N 3.16Å
231	L	90.3	Very high	84.8	Confident	55 Å²	55	83.4 Å²	83.4	29%	0.288	44%	0.436	S	S	.	.	S	Bend	trans	-74.2	146	-176.2	-64.8	175.7	0	0	0	111.6	R195 V196 D228 E235 A236	R195-L231 VanDerWaalsContact CA-O 3.24Å; R195-L231 WeakPolarHBondContact CA-O 3.46Å; R195-L231 WeakPolarHBondContact CB-O 3.05Å; V196-L231 PolarHBondContact N-O 3.41Å; D228-L231 HydrophobicContact CB-CD1 4.09Å; D228-L231 HydrophobicContact CB-CG 4.17Å; D228-L231 PolarHBondContact O-N 3.25Å; L231-E235 HydrophobicContact CD2-CB 4.35Å; L231-A236 HydrophobicContact CB-CB 4.27Å; L231-A236 HydrophobicContact CD1-CB 4.47Å
232	T	92.5	Very high	85.8	Confident	28 Å²	28	78.1 Å²	78.1	17%	0.172	41%	0.41	C	S	.	.	B	Isolated β-bridge	trans	-73.6	163.3	168.1	61.6	0	0	0	0	111.7	H194 R195 E234 E235 A236	H194-T232 CarbonylContact O-C 2.88Å; H194-T232 WeakPolarHBondContact O-CA 3.2Å; R195-T232 HydrophobicContact CG-CG2 4.32Å; T232-E234 PolarHBondContact O-N 3.16Å; T232-E235 WeakPolarHBondContact CB-OE2 3.11Å; T232-E235 WeakPolarHBondContact CG2-OE2 3.11Å; T232-E235 PolarHBondContact N-OE2 2.74Å; T232-E235 PolarHBondContact O-N 2.73Å; T232-E235 WeakPolarHBondContact OG1-CB 3.36Å; T232-E235 WeakPolarHBondContact OG1-CG 3.33Å; T232-E235 PolarHBondContact OG1-N 3.16Å; T232-E235 PolarHBondContact OG1-OE2 3.1Å; T232-A236 VanDerWaalsContact O-CB 3.29Å; T232-A236 WeakPolarHBondContact O-CB 3.36Å; T232-A236 PolarHBondContact O-N 2.65Å
233	L	90.4	Very high	87.2	Confident	1 Å²	1	71.6 Å²	71.6	1%	0.005	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-23.1	177.5	-54.8	-178	0	0	0	112.6	T174 I176 F190 I192 H194 V196 I199 L238	T174-L233 HydrophobicContact CG2-CD1 4Å; I176-L233 HydrophobicContact CD1-CD1 3.64Å; I176-L233 HydrophobicContact CD1-CD2 4.03Å; I176-L233 HydrophobicContact CD1-CG 4.32Å; F190-L233 HydrophobicContact CB-CD1 3.53Å; F190-L233 HydrophobicContact CG-CD1 4.1Å; I192-L233 PolarHBondContact O-N 3.13Å; H194-L233 HydrophobicContact CB-CD1 4Å; H194-L233 HydrophobicContact CB-CG 4.33Å; H194-L233 WeakPolarHBondContact O-CG 3.47Å; H194-L233 PolarHBondContact O-N 3.15Å; V196-L233 HydrophobicContact CG2-CD2 4.43Å; I199-L233 HydrophobicContact CD1-CD1 4.47Å; I199-L233 HydrophobicContact CD1-CD2 3.52Å; I199-L233 HydrophobicContact CG1-CD2 4.26Å; L233-L238 HydrophobicContact CB-CB 4.23Å; L233-L238 HydrophobicContact CD2-CB 4.28Å; L233-L238 HydrophobicContact CD2-CD1 3.72Å; L233-L238 PolarHBondContact O-N 3.46Å
234	E	90.9	Very high	88.2	Confident	114 Å²	114	69.9 Å²	69.9	53%	0.533	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-52.4	171.1	-174.2	168.7	-140.8	0	0	111.5	I192 T232 A236 D237	I192-E234 HydrophobicContact CB-CB 4.46Å; T232-E234 PolarHBondContact O-N 3.16Å; E234-A236 PolarHBondContact O-N 2.95Å; E234-D237 PolarHBondContact O-N 3.21Å; E234-D237 VanDerWaalsContact O-N 3.07Å
235	E	89.4	Confident	89	Confident	132 Å²	132	65.7 Å²	65.7	62%	0.617	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-32.1	178.9	-69.4	161.9	138.1	0	0	113.2	L231 T232 D237	L231-E235 HydrophobicContact CD2-CB 4.35Å; T232-E235 WeakPolarHBondContact CB-OE2 3.11Å; T232-E235 WeakPolarHBondContact CG2-OE2 3.11Å; T232-E235 PolarHBondContact N-OE2 2.74Å; T232-E235 PolarHBondContact O-N 2.73Å; T232-E235 WeakPolarHBondContact OG1-CB 3.36Å; T232-E235 WeakPolarHBondContact OG1-CG 3.33Å; T232-E235 PolarHBondContact OG1-N 3.16Å; T232-E235 PolarHBondContact OG1-OE2 3.1Å; E235-D237 VanDerWaalsContact C-N 3.34Å
236	A	86.4	Confident	89.5	Confident	20 Å²	20	63 Å²	63	17%	0.165	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	2.9	178.6	0	0	0	0	0	114.3	V196 L227 L231 T232 E234 L238	V196-A236 HydrophobicContact CG2-CB 4.45Å; L227-A236 HydrophobicContact CD2-CB 4.17Å; L231-A236 HydrophobicContact CB-CB 4.27Å; L231-A236 HydrophobicContact CD1-CB 4.47Å; T232-A236 VanDerWaalsContact O-CB 3.29Å; T232-A236 WeakPolarHBondContact O-CB 3.36Å; T232-A236 PolarHBondContact O-N 2.65Å; E234-A236 PolarHBondContact O-N 2.95Å; A236-L238 VanDerWaalsContact C-N 3.34Å; A236-L238 HydrophobicContact CB-CD1 3.7Å; A236-L238 HydrophobicContact CB-CG 3.76Å; A236-L238 PolarHBondContact O-N 3.31Å
237	D	87.8	Confident	89.8	Confident	124 Å²	124	61.8 Å²	61.8	66%	0.663	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	45.5	-176.4	-163.9	25.6	0	0	0	113.4	E234 E235 Q239	E234-D237 PolarHBondContact O-N 3.21Å; E234-D237 VanDerWaalsContact O-N 3.07Å; E235-D237 VanDerWaalsContact C-N 3.34Å; D237-Q239 VanDerWaalsContact C-N 3.32Å; D237-Q239 PolarHBondContact O-N 3.04Å
238	L	88.4	Confident	89.8	Confident	0 Å²	0	65.9 Å²	65.9	0%	0	34%	0.335	C	S	.	.			trans	-96.1	25.3	-176.2	-62.1	175.3	0	0	0	113.2	T174 I176 V196 T219 L227 L233 A236 N240 A241 I243	T174-L238 PolarHBondContact OG1-O 2.9Å; I176-L238 HydrophobicContact CD1-CB 4.19Å; V196-L238 HydrophobicContact CG2-CD1 3.86Å; T219-L238 HydrophobicContact CG2-CD2 4.13Å; T219-L238 WeakPolarHBondContact OG1-CD2 3.42Å; L227-L238 HydrophobicContact CD1-CD1 3.86Å; L227-L238 HydrophobicContact CD1-CD2 4.08Å; L227-L238 HydrophobicContact CD2-CD1 4.19Å; L227-L238 HydrophobicContact CD2-CD2 4.25Å; L233-L238 HydrophobicContact CB-CB 4.23Å; L233-L238 HydrophobicContact CD2-CB 4.28Å; L233-L238 HydrophobicContact CD2-CD1 3.72Å; L233-L238 PolarHBondContact O-N 3.46Å; A236-L238 VanDerWaalsContact C-N 3.34Å; A236-L238 HydrophobicContact CB-CD1 3.7Å; A236-L238 HydrophobicContact CB-CG 3.76Å; A236-L238 PolarHBondContact O-N 3.31Å; L238-N240 PolarHBondContact O-N 3.18Å; L238-A241 HydrophobicContact CB-CB 4.23Å; L238-A241 HydrophobicContact CD2-CB 4Å; L238-A241 PolarHBondContact O-N 3.04Å; L238-I243 HydrophobicContact CD1-CD1 4.03Å; L238-I243 HydrophobicContact CD2-CD1 4.26Å; L238-I243 HydrophobicContact CD2-CG1 4.26Å
239	Q	90.2	Very high	89.3	Confident	103 Å²	103	71 Å²	71	48%	0.481	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	118.8	177.3	-58.7	-168.4	41.5	0	0	110.1	D237 A241	D237-Q239 VanDerWaalsContact C-N 3.32Å; D237-Q239 PolarHBondContact O-N 3.04Å; Q239-A241 PolarHBondContact O-N 3.24Å
240	N	90.8	Very high	87.9	Confident	104 Å²	104	72 Å²	72	56%	0.556	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.8	19.6	-174.4	-66.5	88.4	0	0	0	115.2	T174 N175 L238	T174-N240 PolarHBondContact OG1-N 3.29Å; N175-N240 WeakPolarHBondContact O-CA 3.42Å; L238-N240 PolarHBondContact O-N 3.18Å
241	A	90.7	Very high	86	Confident	15 Å²	15	71.5 Å²	71.5	12%	0.124	37%	0.371	C	S	.	.			trans	-79.9	167.9	-166.8	0	0	0	0	0	114.4	Q177 L238 Q239	Q177-A241 PolarHBondContact N-O 2.91Å; L238-A241 HydrophobicContact CB-CB 4.23Å; L238-A241 HydrophobicContact CD2-CB 4Å; L238-A241 PolarHBondContact O-N 3.04Å; Q239-A241 PolarHBondContact O-N 3.24Å
242	V	92.6	Very high	84.3	Confident	35 Å²	35	72.3 Å²	72.3	21%	0.212	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	117.8	178.3	-179.3	0	0	0	0	109.4	Q177 A220	Q177-V242 HydrophobicContact CB-CG2 4.25Å; Q177-V242 CarbonylContact O-C 3.46Å; Q177-V242 WeakPolarHBondContact O-CA 3.34Å; A220-V242 HydrophobicContact CB-CB 4.11Å; A220-V242 HydrophobicContact CB-CG1 4.05Å; A220-V242 PolarHBondContact N-O 3Å
243	I	93.1	Very high	82.3	Confident	0 Å²	0	76.5 Å²	76.5	0%	0	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	139.5	179.5	-58.3	-177.7	0	0	0	109.4	I176 Q177 I178 W179 I199 L217 A218 L227 L238	I176-I243 HydrophobicContact CD1-CD1 4.4Å; I176-I243 HydrophobicContact CG2-CB 4.46Å; I176-I243 HydrophobicContact CG2-CD1 3.6Å; I176-I243 HydrophobicContact CG2-CG1 3.88Å; Q177-I243 PolarHBondContact O-N 3.22Å; I178-I243 CarbonylContact C-O 3.54Å; I178-I243 WeakPolarHBondContact CA-O 3.44Å; W179-I243 PolarHBondContact N-O 2.88Å; I199-I243 HydrophobicContact CD1-CD1 3.53Å; I199-I243 HydrophobicContact CG2-CD1 4.42Å; L217-I243 HydrophobicContact CB-CG2 3.83Å; L217-I243 HydrophobicContact CD1-CG2 4.47Å; L217-I243 HydrophobicContact CD2-CG2 3.91Å; L217-I243 HydrophobicContact CG-CG2 4.28Å; A218-I243 CarbonylContact O-C 3.48Å; L227-I243 HydrophobicContact CD1-CD1 4.06Å; L227-I243 HydrophobicContact CD1-CG1 4.26Å; L227-I243 HydrophobicContact CD1-CG2 4.27Å; L238-I243 HydrophobicContact CD1-CD1 4.03Å; L238-I243 HydrophobicContact CD2-CD1 4.26Å; L238-I243 HydrophobicContact CD2-CG1 4.26Å
244	I	93.4	Very high	80.4	Confident	50 Å²	50	86.2 Å²	86.2	26%	0.256	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	125.9	180	-57.3	172.4	0	0	0	109	W179 A218 A220 L224 R246	W179-I244 HydrophobicContact CB-CG1 4.34Å; A218-I244 PolarHBondContact N-O 3.14Å; A218-I244 PolarHBondContact O-N 3.22Å; A220-I244 HydrophobicContact CB-CD1 4.03Å; L224-I244 HydrophobicContact CD2-CD1 4.2Å; I244-R246 HydrophobicContact CG2-CG 4.45Å
245	Q	92.1	Very high	78.6	Confident	8 Å²	8	92 Å²	92	4%	0.037	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	121.6	169.8	-171.9	-176.9	30.3	0	0	110	W179 A181 F215	W179-Q245 WeakPolarHBondContact O-CB 3.44Å; W179-Q245 PolarHBondContact O-N 3.4Å; A181-Q245 HydrophobicContact CB-CG 4.39Å; F215-Q245 HydrophobicContact CB-CG 4.01Å; F215-Q245 HydrophobicContact CD2-CG 3.58Å; F215-Q245 HydrophobicContact CE2-CG 4.16Å; F215-Q245 HydrophobicContact CG-CG 3.83Å; F215-Q245 VanDerWaalsContact CG-NE2 3.31Å
246	R	90.4	Very high	76.5	Confident	122 Å²	122	94 Å²	94	46%	0.46	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	113	174	-70.5	-175.4	163.8	-158.8	-8.4	110.2	F215 S216 I244 Q248	F215-R246 CarbonylContact C-O 3.6Å; F215-R246 WeakPolarHBondContact CA-O 3.46Å; F215-R246 WeakPolarHBondContact CB-O 3.24Å; S216-R246 PolarHBondContact N-O 3.42Å; S216-R246 PolarHBondContact O-N 3.33Å; I244-R246 HydrophobicContact CG2-CG 4.45Å; R246-Q248 PolarHBondContact O-N 2.9Å
247	L	90.1	Very high	74.7	Confident	85 Å²	85	100.7 Å²	100.7	45%	0.445	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	131.3	171.6	-54.3	-177.6	0	0	0	109.5	A181 P213 F215	A181-L247 HydrophobicContact CB-CD1 3.82Å; A181-L247 HydrophobicContact CB-CD2 3.72Å; A181-L247 HydrophobicContact CB-CG 3.54Å; P213-L247 HydrophobicContact CB-CD2 4.42Å; F215-L247 HydrophobicContact CB-CD2 3.99Å
248	Q	82.8	Confident	72.9	Confident	103 Å²	103	99.8 Å²	99.8	48%	0.481	52%	0.518	S	S	.	.			trans	-75.3	132.1	171	-61	-174.9	-0.7	0	0	108.8	P214 S216 R246 T250	P214-Q248 HydrophobicContact CG-CB 4.41Å; P214-Q248 VanDerWaalsContact O-CB 3.31Å; P214-Q248 WeakPolarHBondContact O-CB 3.19Å; P214-Q248 PolarHBondContact O-N 2.9Å; S216-Q248 PolarHBondContact OG-NE2 3.03Å; R246-Q248 PolarHBondContact O-N 2.9Å; Q248-T250 PolarHBondContact O-N 3.28Å; Q248-T250 VanDerWaalsContact O-N 3.07Å
249	K	75.2	Confident	71.3	Confident	205 Å²	205	109 Å²	109	89%	0.891	56%	0.561	S	S	*	*			trans	-75	97.2	169.8	-70.6	-175.6	179.7	-178.1	0	108.1	A251	K249-A251 PolarHBondContact O-N 3.46Å
250	T	58.3	Low	69.6	Low	105 Å²	105	116 Å²	116	64%	0.644	59%	0.593	S	S	*	*			trans	-66.4	86.4	165.1	-51.2	0	0	0	0	108.5	Q248 A252	Q248-T250 PolarHBondContact O-N 3.28Å; Q248-T250 VanDerWaalsContact O-N 3.07Å; T250-A252 PolarHBondContact O-N 2.94Å
251	A	51.1	Low	68.5	Low	92 Å²	92	116.6 Å²	116.6	76%	0.76	60%	0.595	S	S	*	*			trans	-69.1	82.7	164	0	0	0	0	0	107.4	K249 P253	K249-A251 PolarHBondContact O-N 3.46Å; A251-P253 WeakPolarHBondContact O-CD 3.34Å
252	A	54.5	Low	67.3	Low	73 Å²	73	121.9 Å²	121.9	60%	0.603	62%	0.62	S	S	*	*			trans	-58.9	123.2	165.6	0	0	0	0	0	106.9	T250 F254	T250-A252 PolarHBondContact O-N 2.94Å; A252-F254 PolarHBondContact O-N 2.95Å
253	P	50.3	Low	65.9	Low	116 Å²	116	126.8 Å²	126.8	75%	0.753	64%	0.643	S	S	*	*			trans	-58.1	131.5	168.4	25.5	-32.1	0	0	0	107.1	A251 R255	A251-P253 WeakPolarHBondContact O-CD 3.34Å; P253-R255 PolarHBondContact O-N 3.1Å
254	F	49.1	Very low	64.4	Low	204 Å²	204	134.2 Å²	134.2	90%	0.895	68%	0.681	S	S	*	*			trans	-51.8	113.8	172.6	-103.6	-107.2	0	0	0	107.6	A252 E256	A252-F254 PolarHBondContact O-N 2.95Å; F254-E256 VanDerWaalsContact C-N 3.33Å; F254-E256 PolarHBondContact O-N 3.19Å
255	R	53.8	Low	62.5	Low	235 Å²	235	139.5 Å²	139.5	89%	0.887	71%	0.707	S	S	*	*			trans	-70.7	99	165.5	-86	-173.2	170.7	-172	-3.7	106.2	P253 L257	P253-R255 PolarHBondContact O-N 3.1Å; R255-L257 PolarHBondContact O-N 2.82Å; R255-L257 VanDerWaalsContact O-N 3.11Å
256	E	45.8	Very low	60.6	Low	175 Å²	175	148.3 Å²	148.3	82%	0.818	75%	0.752	S	S	*	*			trans	-55.8	115.6	157.4	-72.4	-175.9	147.1	0	0	107.2	F254 S258	F254-E256 VanDerWaalsContact C-N 3.33Å; F254-E256 PolarHBondContact O-N 3.19Å; E256-S258 VanDerWaalsContact C-N 3.32Å; E256-S258 PolarHBondContact O-N 2.88Å; E256-S258 VanDerWaalsContact O-N 3.09Å
257	L	49.3	Very low	58.4	Low	161 Å²	161	150.1 Å²	150.1	84%	0.843	77%	0.772	S	S	*	*			trans	-73.8	95.4	165.5	-75.9	164.6	0	0	0	106.2	R255 E259	R255-L257 PolarHBondContact O-N 2.82Å; R255-L257 VanDerWaalsContact O-N 3.11Å; L257-E259 VanDerWaalsContact C-N 3.34Å; L257-E259 PolarHBondContact O-N 3.05Å
258	S	49.3	Very low	56	Low	105 Å²	105	155.2 Å²	155.2	73%	0.734	80%	0.798	S	S	*	*			trans	-64.6	100.7	161.2	-56.4	0	0	0	0	107.7	E256	E256-S258 VanDerWaalsContact C-N 3.32Å; E256-S258 PolarHBondContact O-N 2.88Å; E256-S258 VanDerWaalsContact O-N 3.09Å
259	E	54.8	Low	53.8	Low	192 Å²	192	159.5 Å²	159.5	90%	0.897	82%	0.824	S	S	*	*			trans	-60	143.1	167.8	-64.3	-179	129.4	0	0	109.2	L257	L257-E259 VanDerWaalsContact C-N 3.34Å; L257-E259 PolarHBondContact O-N 3.05Å
260	H	53.7	Low	51.8	Low	251 Å²	251	155.4 Å²	155.4	100%	1.162	82%	0.818	S	S	*	*			trans	-140.3	0	-170	-146	-33.5	0	0	0	111.9

Retrieved 260 of 260 residues in 644.5 ms (Link to these results)

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