A0A077Z7Y3_TRITR Loading...

WAP domain containing protein, SLPI-like

AlphaFold DB , UniProt , Accession A0A077Z7Y3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 210 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	42.2	Very low	43.9	Very low	237 Å²	237	166.5 Å²	166.5	100%	1.167	84%	0.837	S	S	*	*				0	139.8	0	-73.5	163.8	165.3	0	0	108
2	M	41.8	Very low	44.3	Very low	192 Å²	192	160.8 Å²	160.8	95%	0.946	82%	0.822	S	S	*	*			trans	-94	126.9	-177.7	-69.7	154	171.3	0	0	110.2
3	T	38.2	Very low	44.8	Very low	120 Å²	120	154.6 Å²	154.6	74%	0.736	81%	0.811	S	S	*	*			trans	-127.5	85.9	179.5	52.1	0	0	0	0	110.2
4	W	41.3	Very low	45.4	Very low	258 Å²	258	150.4 Å²	150.4	98%	0.977	80%	0.8	S	S	*	*			trans	-120.7	102.2	170	-76.8	81.2	0	0	0	108.9
5	T	43.2	Very low	45.9	Very low	118 Å²	118	149.2 Å²	149.2	72%	0.724	79%	0.793	S	S	*	*			trans	-94.5	135.3	-178	49	0	0	0	0	111.5
6	K	42.5	Very low	46.5	Very low	187 Å²	187	146.4 Å²	146.4	81%	0.813	78%	0.783	S	S	*	*			trans	41.2	134.8	134.6	-54.5	-179.3	-178.5	-179.3	0	119.4
7	T	43.7	Very low	46.9	Very low	109 Å²	109	147.1 Å²	147.1	67%	0.669	79%	0.786	S	S	*	*			cis	-175	129.4	-7.6	22.4	0	0	0	0	107.4	V9	T7-V9 HydrophobicContact CG2-CG2 4.45Å
8	P	42	Very low	47.1	Very low	131 Å²	131	146.4 Å²	146.4	85%	0.851	78%	0.781	S	S	*	*			trans	-103	70.1	170.9	36.9	-30.5	0	0	0	111.5
9	V	46.8	Very low	47.5	Very low	113 Å²	113	145.7 Å²	145.7	69%	0.685	78%	0.776	S	S	*	*			trans	-120.8	66.7	-178.5	-167.9	0	0	0	0	110.6	T7	T7-V9 HydrophobicContact CG2-CG2 4.45Å
10	L	48.3	Very low	48	Very low	156 Å²	156	144 Å²	144	82%	0.817	77%	0.772	S	S	*	*			trans	-141.2	21.6	177	-149.6	74.9	0	0	0	114.1
11	Y	52.5	Low	48.4	Very low	211 Å²	211	144.2 Å²	144.2	83%	0.827	77%	0.773	S	S	*	*	S	Bend	trans	-111.3	-8.4	178.1	-84.8	-79.1	0	0	0	114.8
12	C	48.8	Very low	49.4	Very low	97 Å²	97	140.7 Å²	140.7	66%	0.655	76%	0.757	S	S	*	*	S	Bend	trans	-81.4	-26.4	-177.7	-58.1	0	0	0	0	114	S14	C12-S14 PolarHBondContact O-N 3.48Å
13	A	51.3	Low	50.5	Low	81 Å²	81	135.3 Å²	135.3	67%	0.669	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.8	-38.1	-174.6	0	0	0	0	0	113.1	L15	A13-L15 VanDerWaalsContact C-N 3.27Å; A13-L15 PolarHBondContact O-N 3.25Å
14	S	53.2	Low	52.1	Low	95 Å²	95	131.3 Å²	131.3	66%	0.664	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.1	-14.9	-173.9	-45.6	0	0	0	0	114.6	C12	C12-S14 PolarHBondContact O-N 3.48Å
15	L	53.1	Low	54.1	Low	133 Å²	133	124.6 Å²	124.6	70%	0.696	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.4	-23.7	-169.8	-144.2	149.5	0	0	0	112.7	A13 L17	A13-L15 VanDerWaalsContact C-N 3.27Å; A13-L15 PolarHBondContact O-N 3.25Å; L15-L17 VanDerWaalsContact C-N 3.34Å; L15-L17 PolarHBondContact O-N 3.14Å
16	V	54.5	Low	56.3	Low	104 Å²	104	119 Å²	119	63%	0.63	67%	0.668	S	S	*	*	G	3₁₀ helix	trans	-74	-22.1	-175.3	-178	0	0	0	0	113	L18	V16-L18 VanDerWaalsContact C-N 3.33Å; V16-L18 PolarHBondContact O-N 3.41Å
17	L	53.4	Low	58.2	Low	159 Å²	159	112.1 Å²	112.1	83%	0.832	64%	0.642	S	S	*	*	G	3₁₀ helix	trans	-84	0.8	-179.2	-82.9	165	0	0	0	114.9	L15	L15-L17 VanDerWaalsContact C-N 3.34Å; L15-L17 PolarHBondContact O-N 3.14Å
18	L	51.2	Low	60.1	Low	134 Å²	134	109.2 Å²	109.2	70%	0.702	62%	0.622	S	S	*	*	G	3₁₀ helix	trans	-94.8	16.3	176.4	-67.3	175.8	0	0	0	113.8	V16 T20	V16-L18 VanDerWaalsContact C-N 3.33Å; V16-L18 PolarHBondContact O-N 3.41Å; L18-T20 PolarHBondContact O-N 2.92Å
19	I	55.2	Low	62.1	Low	133 Å²	133	108.5 Å²	108.5	68%	0.682	61%	0.611	S	S	*	*			trans	-73.2	77.5	158.7	-45.9	173.3	0	0	0	107.3	N21	I19-N21 PolarHBondContact O-N 3.38Å
20	T	56.1	Low	64.1	Low	112 Å²	112	105 Å²	105	69%	0.687	59%	0.592	S	S	*	*			trans	-60	110.5	167.9	48.7	0	0	0	0	107.4	L18 I22	L18-T20 PolarHBondContact O-N 2.92Å; T20-I22 PolarHBondContact O-N 3.13Å
21	N	56.6	Low	66	Low	149 Å²	149	101.9 Å²	101.9	80%	0.797	59%	0.589	S	S	*	*			trans	-52.8	111.1	172.5	-77.1	-48.8	0	0	0	108.5	I19 A23	I19-N21 PolarHBondContact O-N 3.38Å; N21-A23 PolarHBondContact O-N 3.42Å
22	I	63.1	Low	68	Low	162 Å²	162	93.3 Å²	93.3	83%	0.831	56%	0.558	S	S	*	*			trans	-72.7	70.3	169.8	49.2	168	0	0	0	108.2	T20 A24	T20-I22 PolarHBondContact O-N 3.13Å; I22-A24 PolarHBondContact O-N 3.03Å
23	A	66.3	Low	70.1	Confident	79 Å²	79	92.2 Å²	92.2	65%	0.653	55%	0.552	S	S	*	*			trans	-54.3	115.4	174.5	0	0	0	0	0	107.8	N21 Q25	N21-A23 PolarHBondContact O-N 3.42Å; A23-Q25 PolarHBondContact O-N 3.12Å
24	A	71.8	Confident	72	Confident	36 Å²	36	89.2 Å²	89.2	30%	0.298	53%	0.529	S	S	.	.			trans	-58.3	126	177.3	0	0	0	0	0	108.3	I22 P32 W52	I22-A24 PolarHBondContact O-N 3.03Å; A24-P32 HydrophobicContact CB-CG 4.43Å; A24-P32 WeakPolarHBondContact O-CD 3.38Å; A24-P32 WeakPolarHBondContact O-CG 3.4Å; A24-W52 HydrophobicContact CB-CD2 3.67Å; A24-W52 HydrophobicContact CB-CE3 4.43Å; A24-W52 HydrophobicContact CB-CG 3.82Å; A24-W52 HydrophobicContact CB-CZ2 3.92Å; A24-W52 VanDerWaalsContact CB-NE1 3.32Å
25	Q	83	Confident	73.9	Confident	117 Å²	117	89.4 Å²	89.4	55%	0.547	53%	0.528	S	S	.	.			trans	-127.1	143.7	-173	56	147.3	102.3	0	0	110.7	A23 N29	A23-Q25 PolarHBondContact O-N 3.12Å; Q25-N29 PolarHBondContact NE2-OD1 2.6Å
26	C	89.4	Confident	75.9	Confident	2 Å²	2	83.9 Å²	83.9	1%	0.014	50%	0.5	C	S	.	.			trans	-73.6	169	176.2	-65.3	0	0	0	0	112	D28 N29 S30 C54	C26-D28 VanDerWaalsContact CB-OD1 3.31Å; C26-D28 WeakPolarHBondContact CB-OD1 3.36Å; C26-D28 PolarHBondContact O-N 3.17Å; C26-D28 VanDerWaalsContact O-N 3.08Å; C26-N29 WeakPolarHBondContact O-CA 2.95Å; C26-N29 PolarHBondContact O-N 3.09Å; C26-S30 WeakPolarHBondContact CB-O 3.33Å; C26-S30 VanDerWaalsContact CB-OG 3.3Å; C26-S30 WeakPolarHBondContact CB-OG 3.25Å; C26-S30 PolarHBondContact N-O 3.07Å; C26-C54 WeakPolarHBondContact CA-SG 3.33Å; C26-C54 HydrophobicContact CB-CB 3.75Å; C26-C54 WeakPolarHBondContact CB-SG 2.99Å; C26-C54 WeakPolarHBondContact SG-CA 3.29Å; C26-C54 WeakPolarHBondContact SG-CB 3.29Å; C26-C54 CovalentContact SG-SG 2.04Å; C26-C54 PolarHBondContact SG-SG 3.29Å
27	P	83	Confident	77.8	Confident	42 Å²	42	87.5 Å²	87.5	27%	0.273	51%	0.51	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-14.6	-177.9	-25.2	36.1	0	0	0	115.7	V49 M61 V107	P27-V49 HydrophobicContact CG-CG1 4.22Å; P27-M61 HydrophobicContact CG-CE 4.44Å; P27-V107 HydrophobicContact CG-CG1 3.96Å
28	D	82.6	Confident	79.6	Confident	48 Å²	48	85.5 Å²	85.5	26%	0.257	50%	0.497	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	3	173.3	65.3	-18.2	0	0	0	113.8	C26 S30 A60	C26-D28 VanDerWaalsContact CB-OD1 3.31Å; C26-D28 WeakPolarHBondContact CB-OD1 3.36Å; C26-D28 PolarHBondContact O-N 3.17Å; C26-D28 VanDerWaalsContact O-N 3.08Å; D28-S30 VanDerWaalsContact C-N 3.28Å; D28-S30 VanDerWaalsContact CG-OG 3.31Å; D28-S30 VanDerWaalsContact OD1-CB 3.24Å; D28-S30 WeakPolarHBondContact OD1-CB 3.41Å; D28-S30 PolarHBondContact OD1-N 3.42Å; D28-S30 PolarHBondContact OD1-OG 2.66Å; D28-S30 PolarHBondContact OD2-OG 2.64Å; D28-A60 WeakPolarHBondContact OD2-CB 3.03Å
29	N	85	Confident	81.6	Confident	116 Å²	116	81.5 Å²	81.5	62%	0.62	48%	0.475	S	S	*	.	S	Bend	trans	67.7	16.8	-169.4	-33.4	-81.5	0	0	0	114.7	Q25 C26	Q25-N29 PolarHBondContact NE2-OD1 2.6Å; C26-N29 WeakPolarHBondContact O-CA 2.95Å; C26-N29 PolarHBondContact O-N 3.09Å
30	S	87.3	Confident	83.2	Confident	39 Å²	39	81 Å²	81	27%	0.273	47%	0.473	S	S	.	.	P	Polyproline II helix	trans	-69.3	157.3	168.1	64.7	0	0	0	0	111.6	C26 D28	C26-S30 WeakPolarHBondContact CB-O 3.33Å; C26-S30 VanDerWaalsContact CB-OG 3.3Å; C26-S30 WeakPolarHBondContact CB-OG 3.25Å; C26-S30 PolarHBondContact N-O 3.07Å; D28-S30 VanDerWaalsContact C-N 3.28Å; D28-S30 VanDerWaalsContact CG-OG 3.31Å; D28-S30 VanDerWaalsContact OD1-CB 3.24Å; D28-S30 WeakPolarHBondContact OD1-CB 3.41Å; D28-S30 PolarHBondContact OD1-N 3.42Å; D28-S30 PolarHBondContact OD1-OG 2.66Å; D28-S30 PolarHBondContact OD2-OG 2.64Å
31	A	89.8	Confident	85	Confident	91 Å²	91	80 Å²	80	75%	0.752	46%	0.463	S	S	*	.	P	Polyproline II helix	trans	-76.6	132.7	174.5	0	0	0	0	0	110.2
32	P	92.7	Very high	86.8	Confident	30 Å²	30	73.5 Å²	73.5	20%	0.195	43%	0.429	C	S	.	.	P	Polyproline II helix	trans	-70.3	152	176.3	29.9	-35.2	0	0	0	111.6	A24 W52 C53	A24-P32 HydrophobicContact CB-CG 4.43Å; A24-P32 WeakPolarHBondContact O-CD 3.38Å; A24-P32 WeakPolarHBondContact O-CG 3.4Å; P32-W52 HydrophobicContact CB-CB 3.73Å; P32-W52 HydrophobicContact CB-CD2 4.44Å; P32-W52 HydrophobicContact CB-CE3 4.03Å; P32-W52 HydrophobicContact CB-CG 4.35Å; P32-W52 HydrophobicContact CG-CB 4.21Å; P32-W52 HydrophobicContact CG-CD2 4.14Å; P32-W52 HydrophobicContact CG-CE3 3.73Å; P32-W52 HydrophobicContact CG-CG 4.33Å; P32-C53 VanDerWaalsContact CA-O 3.3Å; P32-C53 WeakPolarHBondContact CA-O 3.39Å; P32-C53 WeakPolarHBondContact CB-O 3.47Å
33	S	92.7	Very high	88.1	Confident	74 Å²	74	71.1 Å²	71.1	52%	0.517	42%	0.422	S	S	.	.	S	Bend	trans	-77.8	-25.4	179.6	60.2	0	0	0	0	113.5	Q46 C53	S33-Q46 PolarHBondContact OG-OE1 2.88Å; S33-C53 PolarHBondContact N-O 3.48Å; S33-C53 WeakPolarHBondContact OG-CB 3.39Å; S33-C53 PolarHBondContact OG-O 2.93Å
34	G	92.4	Very high	89.1	Confident	19 Å²	19	70.1 Å²	70.1	20%	0.196	42%	0.419	C	S	.	.	S	Bend	trans	173.4	173.5	-179.5	0	0	0	0	0	112.5	W52 C53	G34-W52 WeakPolarHBondContact O-CA 3.44Å; G34-C53 PolarHBondContact O-N 3.3Å
35	P	93.2	Very high	90	Very high	99 Å²	99	70.4 Å²	70.4	64%	0.643	41%	0.414	S	S	*	.	B	Isolated β-bridge	trans	-76.1	157.9	174.7	33.3	-35.6	0	0	0	111.9	G51 W52	P35-G51 CarbonylContact C-O 3.54Å; P35-G51 VanDerWaalsContact CA-O 3.28Å; P35-G51 WeakPolarHBondContact CA-O 3.42Å; P35-W52 HydrophobicContact CB-CE3 4.4Å; P35-W52 HydrophobicContact CB-CH2 4.48Å; P35-W52 HydrophobicContact CB-CZ3 4.22Å
36	C	94.8	Very high	90.5	Very high	16 Å²	16	67 Å²	67	11%	0.108	40%	0.398	C	S	.	.			trans	-155.6	163	179.5	52	0	0	0	0	112.2	N41 C48 G51 W52 C53	C36-N41 HydrophobicContact CB-CB 4.02Å; C36-C48 VanDerWaalsContact C-SG 3.5Å; C36-C48 HydrophobicContact CB-CB 3.83Å; C36-C48 WeakPolarHBondContact CB-SG 3.31Å; C36-C48 PolarHBondContact O-SG 2.82Å; C36-C48 WeakPolarHBondContact SG-CA 3.18Å; C36-C48 WeakPolarHBondContact SG-CB 3.5Å; C36-C48 CovalentContact SG-SG 2.03Å; C36-C48 PolarHBondContact SG-SG 2.84Å; C36-G51 PolarHBondContact N-O 2.81Å; C36-G51 CarbonylContact O-C 3.56Å; C36-G51 WeakPolarHBondContact O-CA 3.36Å; C36-W52 VanDerWaalsContact SG-CA 3.53Å; C36-W52 PolarHBondContact SG-N 2.65Å; C36-C53 VanDerWaalsContact CB-SG 3.55Å; C36-C53 PolarHBondContact SG-N 3.14Å; C36-C53 VanDerWaalsContact SG-SG 3.7Å
37	E	93.8	Very high	90.7	Very high	180 Å²	180	67 Å²	67	84%	0.841	40%	0.398	S	S	*	.	S	Bend	trans	-112.1	-46.7	173.1	-62.3	177.5	158	0	0	109.7	N41	E37-N41 PolarHBondContact N-ND2 3.49Å
38	E	92.7	Very high	91.2	Very high	117 Å²	117	65.7 Å²	65.7	55%	0.547	39%	0.389	S	S	.	.	S	Bend	trans	-116.3	161.3	174.2	-60.4	-169.4	176.4	0	0	112	L40 N41 C48	E38-L40 PolarHBondContact O-N 2.99Å; E38-N41 WeakPolarHBondContact O-CB 3.41Å; E38-N41 PolarHBondContact O-N 2.67Å; E38-N41 VanDerWaalsContact O-N 3.15Å; E38-C48 WeakPolarHBondContact O-CB 3.4Å
39	H	91.7	Very high	91.6	Very high	51 Å²	51	63.9 Å²	63.9	24%	0.236	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	-60.3	-29.9	176	-52.4	-39.6	0	0	0	112.8	N41 C42 M47 C48 W90 Q104	H39-N41 PolarHBondContact O-N 2.84Å; H39-C42 WeakPolarHBondContact O-CB 3.3Å; H39-C42 PolarHBondContact O-N 3.06Å; H39-C42 VanDerWaalsContact O-N 3.15Å; H39-M47 HydrophobicContact CB-CB 4.42Å; H39-C48 PolarHBondContact CE1-O 3.26Å; H39-C48 PolarHBondContact ND1-N 3.47Å; H39-C48 PolarHBondContact ND1-O 2.85Å; H39-C48 VanDerWaalsContact ND1-O 3.07Å; H39-W90 HydrophobicContact CB-CD2 3.66Å; H39-W90 HydrophobicContact CB-CE3 3.8Å; H39-W90 HydrophobicContact CB-CG 4.29Å; H39-W90 HydrophobicContact CB-CH2 4.01Å; H39-W90 HydrophobicContact CB-CZ2 3.83Å; H39-W90 HydrophobicContact CB-CZ3 3.99Å; H39-W90 AromaticContact CD2-CE2 3.72Å; H39-W90 AromaticContact CD2-CZ2 3.88Å; H39-W90 AromaticContact CD2-NE1 3.56Å; H39-W90 AromaticContact CG-CE2 3.99Å; H39-Q104 PolarHBondContact NE2-NE2 3.39Å
40	L	90.1	Very high	91.9	Very high	123 Å²	123	65.7 Å²	65.7	64%	0.644	39%	0.39	S	S	*	.	G	3₁₀ helix	trans	-66.2	-18.4	178.2	-71.1	151.5	0	0	0	113.6	E38 C42 W90	E38-L40 PolarHBondContact O-N 2.99Å; L40-C42 PolarHBondContact O-N 2.75Å; L40-W90 HydrophobicContact CD2-CH2 4.09Å; L40-W90 HydrophobicContact CD2-CZ3 3.88Å; L40-W90 HydrophobicContact CG-CH2 3.94Å; L40-W90 HydrophobicContact CG-CZ3 3.91Å
41	N	93.7	Very high	92.1	Very high	89 Å²	89	65.3 Å²	65.3	48%	0.476	39%	0.392	S	S	.	.	G	3₁₀ helix	trans	-76.1	-16	176	-60	13.7	0	0	0	111.7	C36 E37 E38 H39	C36-N41 HydrophobicContact CB-CB 4.02Å; E37-N41 PolarHBondContact N-ND2 3.49Å; E38-N41 WeakPolarHBondContact O-CB 3.41Å; E38-N41 PolarHBondContact O-N 2.67Å; E38-N41 VanDerWaalsContact O-N 3.15Å; H39-N41 PolarHBondContact O-N 2.84Å
42	C	93.8	Very high	92.3	Very high	14 Å²	14	65.8 Å²	65.8	10%	0.095	37%	0.374	C	S	.	.	S	Bend	trans	-89.7	143.2	-179.5	-56.4	0	0	0	0	111.2	H39 L40 Q46 C48 C53	H39-C42 WeakPolarHBondContact O-CB 3.3Å; H39-C42 PolarHBondContact O-N 3.06Å; H39-C42 VanDerWaalsContact O-N 3.15Å; L40-C42 PolarHBondContact O-N 2.75Å; C42-Q46 HydrophobicContact CB-CB 3.74Å; C42-Q46 WeakPolarHBondContact CB-O 3.43Å; C42-C48 PolarHBondContact SG-N 3.43Å; C42-C53 WeakPolarHBondContact CA-SG 3.46Å; C42-C53 HydrophobicContact CB-CB 3.77Å; C42-C53 WeakPolarHBondContact CB-SG 3.43Å; C42-C53 WeakPolarHBondContact SG-CA 3.34Å; C42-C53 WeakPolarHBondContact SG-CB 3.44Å; C42-C53 CovalentContact SG-SG 2.04Å; C42-C53 PolarHBondContact SG-SG 3.46Å
43	T	89.9	Confident	92.4	Very high	112 Å²	112	64.6 Å²	64.6	69%	0.687	37%	0.367	S	S	*	.			trans	-97.9	134.4	-173.9	54.3	0	0	0	0	112.6	K45	T43-K45 PolarHBondContact O-N 2.97Å
44	G	87.6	Confident	92.5	Very high	57 Å²	57	61.2 Å²	61.2	59%	0.588	34%	0.343	S	S	*	.	S	Bend	trans	63.8	-129.5	178.6	0	0	0	0	0	112.9	Q46	G44-Q46 PolarHBondContact O-N 3.27Å
45	K	91.4	Very high	92.5	Very high	43 Å²	43	62.3 Å²	62.3	19%	0.187	35%	0.348	C	S	.	.	S	Bend	trans	-83.6	53.4	-173.2	-69.6	-77.1	150.4	-170.2	0	112.9	T43 S55 V56 V57 D84 C87 D89 R91	T43-K45 PolarHBondContact O-N 2.97Å; K45-S55 WeakPolarHBondContact O-CA 3.45Å; K45-V56 HydrophobicContact CB-CG2 4.24Å; K45-V56 HydrophobicContact CD-CG2 4.28Å; K45-V56 PolarHBondContact O-N 3.4Å; K45-V57 HydrophobicContact CB-CG2 3.51Å; K45-V57 HydrophobicContact CD-CG2 4.4Å; K45-V57 HydrophobicContact CG-CG2 3.99Å; K45-D84 VanDerWaalsContact CE-O 3.31Å; K45-D84 WeakPolarHBondContact CE-O 3.44Å; K45-D84 PolarHBondContact NZ-O 3.49Å; K45-C87 PolarHBondContact NZ-O 3.43Å; K45-D89 VanDerWaalsContact CE-O 3.28Å; K45-D89 WeakPolarHBondContact CE-O 3.3Å; K45-D89 PolarHBondContact NZ-O 2.04Å; K45-R91 PolarHBondContact NZ-O 3.08Å
46	Q	93.6	Very high	92.3	Very high	45 Å²	45	57.6 Å²	57.6	21%	0.21	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	137.4	-175.2	-65.1	178.5	3.1	0	0	111.9	S33 C42 G44 C54 W90	S33-Q46 PolarHBondContact OG-OE1 2.88Å; C42-Q46 HydrophobicContact CB-CB 3.74Å; C42-Q46 WeakPolarHBondContact CB-O 3.43Å; G44-Q46 PolarHBondContact O-N 3.27Å; Q46-C54 CarbonylContact C-O 3.56Å; Q46-C54 WeakPolarHBondContact CA-O 3Å; Q46-W90 VanDerWaalsContact O-CB 3.32Å; Q46-W90 WeakPolarHBondContact O-CB 3.4Å
47	M	92.8	Very high	92	Very high	2 Å²	2	59.1 Å²	59.1	1%	0.01	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	151.8	169	59.9	-174	-77.6	0	0	111.9	H39 V49 C54 V56 M61 W90 P105 V107	H39-M47 HydrophobicContact CB-CB 4.42Å; M47-V49 HydrophobicContact CE-CG2 4.29Å; M47-V49 HydrophobicContact CG-CG2 4.02Å; M47-V49 PolarHBondContact O-N 3.3Å; M47-C54 PolarHBondContact N-O 3.34Å; M47-C54 PolarHBondContact O-N 3.13Å; M47-V56 HydrophobicContact CB-CG1 4.16Å; M47-V56 HydrophobicContact CG-CG1 3.65Å; M47-V56 HydrophobicContact SD-CG1 4Å; M47-M61 HydrophobicContact CE-CE 3.95Å; M47-M61 HydrophobicContact CG-CE 4.06Å; M47-M61 HydrophobicContact CG-SD 3.64Å; M47-M61 HydrophobicContact SD-CE 3.39Å; M47-M61 WeakPolarHBondContact SD-CE 3.13Å; M47-M61 HydrophobicContact SD-SD 3.58Å; M47-W90 HydrophobicContact CB-CB 3.77Å; M47-W90 HydrophobicContact CB-CG 3.87Å; M47-P105 HydrophobicContact SD-CB 3.91Å; M47-P105 HydrophobicContact SD-CG 3.83Å; M47-V107 HydrophobicContact CE-CG2 3.62Å
48	C	93.4	Very high	91.5	Very high	14 Å²	14	52.3 Å²	52.3	10%	0.095	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	123.2	170.9	-161.4	0	0	0	0	111.2	C36 E38 H39 C42	C36-C48 VanDerWaalsContact C-SG 3.5Å; C36-C48 HydrophobicContact CB-CB 3.83Å; C36-C48 WeakPolarHBondContact CB-SG 3.31Å; C36-C48 PolarHBondContact O-SG 2.82Å; C36-C48 WeakPolarHBondContact SG-CA 3.18Å; C36-C48 WeakPolarHBondContact SG-CB 3.5Å; C36-C48 CovalentContact SG-SG 2.03Å; C36-C48 PolarHBondContact SG-SG 2.84Å; E38-C48 WeakPolarHBondContact O-CB 3.4Å; H39-C48 PolarHBondContact CE1-O 3.26Å; H39-C48 PolarHBondContact ND1-N 3.47Å; H39-C48 PolarHBondContact ND1-O 2.85Å; H39-C48 VanDerWaalsContact ND1-O 3.07Å; C42-C48 PolarHBondContact SG-N 3.43Å
49	V	92.2	Very high	90.7	Very high	10 Å²	10	51.9 Å²	51.9	6%	0.061	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	118.4	178	172.7	0	0	0	0	108.1	P27 M47 G51 W52 C54 M61 V107	P27-V49 HydrophobicContact CG-CG1 4.22Å; M47-V49 HydrophobicContact CE-CG2 4.29Å; M47-V49 HydrophobicContact CG-CG2 4.02Å; M47-V49 PolarHBondContact O-N 3.3Å; V49-G51 PolarHBondContact O-N 3.46Å; V49-G51 VanDerWaalsContact O-N 3.08Å; V49-W52 PolarHBondContact N-O 2.96Å; V49-W52 PolarHBondContact O-N 2.79Å; V49-C54 HydrophobicContact CB-CB 4.4Å; V49-C54 HydrophobicContact CG2-CB 4.19Å; V49-M61 HydrophobicContact CG2-CE 3.89Å; V49-M61 HydrophobicContact CG2-SD 4.22Å; V49-V107 HydrophobicContact CB-CG1 4.36Å; V49-V107 HydrophobicContact CG1-CG1 3.6Å; V49-V107 HydrophobicContact CG2-CG1 3.83Å
50	N	89.9	Confident	90.1	Very high	154 Å²	154	49.8 Å²	49.8	82%	0.824	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	32.8	179.3	-56.1	-29.8	0	0	0	114.2
51	G	92.1	Very high	89.8	Confident	31 Å²	31	44 Å²	44	32%	0.32	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.7	10.3	-176.5	0	0	0	0	0	115.6	P35 C36 V49	P35-G51 CarbonylContact C-O 3.54Å; P35-G51 VanDerWaalsContact CA-O 3.28Å; P35-G51 WeakPolarHBondContact CA-O 3.42Å; C36-G51 PolarHBondContact N-O 2.81Å; C36-G51 CarbonylContact O-C 3.56Å; C36-G51 WeakPolarHBondContact O-CA 3.36Å; V49-G51 PolarHBondContact O-N 3.46Å; V49-G51 VanDerWaalsContact O-N 3.08Å
52	W	94.2	Very high	89.4	Confident	102 Å²	102	39.8 Å²	39.8	39%	0.386	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	137.7	-177.4	-63.5	90.6	0	0	0	113.4	A24 P32 G34 P35 C36 V49 C54	A24-W52 HydrophobicContact CB-CD2 3.67Å; A24-W52 HydrophobicContact CB-CE3 4.43Å; A24-W52 HydrophobicContact CB-CG 3.82Å; A24-W52 HydrophobicContact CB-CZ2 3.92Å; A24-W52 VanDerWaalsContact CB-NE1 3.32Å; P32-W52 HydrophobicContact CB-CB 3.73Å; P32-W52 HydrophobicContact CB-CD2 4.44Å; P32-W52 HydrophobicContact CB-CE3 4.03Å; P32-W52 HydrophobicContact CB-CG 4.35Å; P32-W52 HydrophobicContact CG-CB 4.21Å; P32-W52 HydrophobicContact CG-CD2 4.14Å; P32-W52 HydrophobicContact CG-CE3 3.73Å; P32-W52 HydrophobicContact CG-CG 4.33Å; G34-W52 WeakPolarHBondContact O-CA 3.44Å; P35-W52 HydrophobicContact CB-CE3 4.4Å; P35-W52 HydrophobicContact CB-CH2 4.48Å; P35-W52 HydrophobicContact CB-CZ3 4.22Å; C36-W52 VanDerWaalsContact SG-CA 3.53Å; C36-W52 PolarHBondContact SG-N 2.65Å; V49-W52 PolarHBondContact N-O 2.96Å; V49-W52 PolarHBondContact O-N 2.79Å; W52-C54 PolarHBondContact O-N 3.34Å
53	C	94.9	Very high	89.2	Confident	5 Å²	5	41 Å²	41	3%	0.034	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	115.2	178.3	-69.5	0	0	0	0	111.1	P32 S33 G34 C36 C42	P32-C53 VanDerWaalsContact CA-O 3.3Å; P32-C53 WeakPolarHBondContact CA-O 3.39Å; P32-C53 WeakPolarHBondContact CB-O 3.47Å; S33-C53 PolarHBondContact N-O 3.48Å; S33-C53 WeakPolarHBondContact OG-CB 3.39Å; S33-C53 PolarHBondContact OG-O 2.93Å; G34-C53 PolarHBondContact O-N 3.3Å; C36-C53 VanDerWaalsContact CB-SG 3.55Å; C36-C53 PolarHBondContact SG-N 3.14Å; C36-C53 VanDerWaalsContact SG-SG 3.7Å; C42-C53 WeakPolarHBondContact CA-SG 3.46Å; C42-C53 HydrophobicContact CB-CB 3.77Å; C42-C53 WeakPolarHBondContact CB-SG 3.43Å; C42-C53 WeakPolarHBondContact SG-CA 3.34Å; C42-C53 WeakPolarHBondContact SG-CB 3.44Å; C42-C53 CovalentContact SG-SG 2.04Å; C42-C53 PolarHBondContact SG-SG 3.46Å
54	C	94.2	Very high	89	Confident	3 Å²	3	37.1 Å²	37.1	2%	0.02	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	142.9	-177.7	-72.1	0	0	0	0	111.3	C26 Q46 M47 V49 W52	C26-C54 WeakPolarHBondContact CA-SG 3.33Å; C26-C54 HydrophobicContact CB-CB 3.75Å; C26-C54 WeakPolarHBondContact CB-SG 2.99Å; C26-C54 WeakPolarHBondContact SG-CA 3.29Å; C26-C54 WeakPolarHBondContact SG-CB 3.29Å; C26-C54 CovalentContact SG-SG 2.04Å; C26-C54 PolarHBondContact SG-SG 3.29Å; Q46-C54 CarbonylContact C-O 3.56Å; Q46-C54 WeakPolarHBondContact CA-O 3Å; M47-C54 PolarHBondContact N-O 3.34Å; M47-C54 PolarHBondContact O-N 3.13Å; V49-C54 HydrophobicContact CB-CB 4.4Å; V49-C54 HydrophobicContact CG2-CB 4.19Å; W52-C54 PolarHBondContact O-N 3.34Å
55	S	92.5	Very high	88.7	Confident	42 Å²	42	36.1 Å²	36.1	29%	0.294	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	141.3	176.3	-175.8	0	0	0	0	111.5	K45 V57 A60 M61	K45-S55 WeakPolarHBondContact O-CA 3.45Å; S55-V57 PolarHBondContact OG-N 2.62Å; S55-A60 WeakPolarHBondContact O-CB 3.01Å; S55-M61 WeakPolarHBondContact O-CG 3.41Å
56	V	90	Very high	87.9	Confident	0 Å²	0	38 Å²	38	0%	0	22%	0.217	C	C	.	.			trans	-98.8	-12.5	171.9	-53	0	0	0	0	113	K45 M47 M61 W90 K92 P105	K45-V56 HydrophobicContact CB-CG2 4.24Å; K45-V56 HydrophobicContact CD-CG2 4.28Å; K45-V56 PolarHBondContact O-N 3.4Å; M47-V56 HydrophobicContact CB-CG1 4.16Å; M47-V56 HydrophobicContact CG-CG1 3.65Å; M47-V56 HydrophobicContact SD-CG1 4Å; V56-M61 HydrophobicContact CG1-SD 4.04Å; V56-W90 HydrophobicContact CG1-CB 4.19Å; V56-K92 HydrophobicContact CB-CG 4.04Å; V56-K92 HydrophobicContact CG2-CG 4.22Å; V56-K92 WeakPolarHBondContact O-CD 3.46Å; V56-K92 VanDerWaalsContact O-CG 3.32Å; V56-K92 WeakPolarHBondContact O-CG 3.06Å; V56-K92 PolarHBondContact O-NZ 3.46Å; V56-P105 HydrophobicContact CB-CG 4.05Å; V56-P105 HydrophobicContact CG1-CG 3.98Å
57	V	88.7	Confident	86.7	Confident	47 Å²	47	36.7 Å²	36.7	29%	0.285	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	140.5	-169	-176.1	0	0	0	0	112.5	K45 S55 N59 A60 E85	K45-V57 HydrophobicContact CB-CG2 3.51Å; K45-V57 HydrophobicContact CD-CG2 4.4Å; K45-V57 HydrophobicContact CG-CG2 3.99Å; S55-V57 PolarHBondContact OG-N 2.62Å; V57-N59 PolarHBondContact O-N 2.04Å; V57-A60 WeakPolarHBondContact O-CB 3.45Å; V57-A60 PolarHBondContact O-N 2.04Å; V57-E85 WeakPolarHBondContact CG1-OE1 3.37Å
58	G	82.6	Confident	85.3	Confident	38 Å²	38	39.8 Å²	39.8	39%	0.392	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.7	-120.8	171.6	0	0	0	0	0	112.3	D84 K92	G58-D84 PolarHBondContact N-OD2 3.37Å; G58-K92 PolarHBondContact O-NZ 3.36Å
59	N	75.9	Confident	83.7	Confident	108 Å²	108	43.5 Å²	43.5	58%	0.578	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-1.1	-176.8	-72.1	-53.9	0	0	0	114.7	V57 M61 W117	V57-N59 PolarHBondContact O-N 2.04Å; N59-M61 VanDerWaalsContact C-N 3.34Å; N59-M61 PolarHBondContact O-N 3.38Å; N59-W117 PolarHBondContact O-NE1 2.85Å
60	A	78.9	Confident	82.2	Confident	7 Å²	7	48 Å²	48	6%	0.058	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-42.1	-176.1	0	0	0	0	0	112.3	D28 S55 V57	D28-A60 WeakPolarHBondContact OD2-CB 3.03Å; S55-A60 WeakPolarHBondContact O-CB 3.01Å; V57-A60 WeakPolarHBondContact O-CB 3.45Å; V57-A60 PolarHBondContact O-N 2.04Å
61	M	83.2	Confident	80.5	Confident	1 Å²	1	44.1 Å²	44.1	1%	0.005	24%	0.239	C	C	.	.	S	Bend	trans	-137.1	165.5	-179.5	-59.8	-168.4	68.1	0	0	111.7	P27 M47 V49 S55 V56 N59 K92 P105 V107 W117	P27-M61 HydrophobicContact CG-CE 4.44Å; M47-M61 HydrophobicContact CE-CE 3.95Å; M47-M61 HydrophobicContact CG-CE 4.06Å; M47-M61 HydrophobicContact CG-SD 3.64Å; M47-M61 HydrophobicContact SD-CE 3.39Å; M47-M61 WeakPolarHBondContact SD-CE 3.13Å; M47-M61 HydrophobicContact SD-SD 3.58Å; V49-M61 HydrophobicContact CG2-CE 3.89Å; V49-M61 HydrophobicContact CG2-SD 4.22Å; S55-M61 WeakPolarHBondContact O-CG 3.41Å; V56-M61 HydrophobicContact CG1-SD 4.04Å; N59-M61 VanDerWaalsContact C-N 3.34Å; N59-M61 PolarHBondContact O-N 3.38Å; M61-K92 HydrophobicContact CB-CD 4.41Å; M61-K92 VanDerWaalsContact O-CE 3.26Å; M61-K92 WeakPolarHBondContact O-CE 3.5Å; M61-P105 HydrophobicContact CB-CB 3.89Å; M61-P105 HydrophobicContact CE-CB 4.19Å; M61-V107 HydrophobicContact CE-CB 3.97Å; M61-V107 HydrophobicContact CE-CG1 3.76Å; M61-V107 HydrophobicContact CE-CG2 3.68Å; M61-W117 PolarHBondContact O-NE1 2.03Å
62	S	86.5	Confident	78.7	Confident	1 Å²	1	47.2 Å²	47.2	1%	0.007	25%	0.251	C	S	.	.	B	Isolated β-bridge	trans	-101.6	157.8	-171.3	74.3	0	0	0	0	113.3	P105 D106 Q109	S62-P105 CarbonylContact O-C 3.59Å; S62-P105 VanDerWaalsContact O-CA 3.23Å; S62-P105 WeakPolarHBondContact O-CA 2.99Å; S62-P105 WeakPolarHBondContact O-CB 3.09Å; S62-D106 PolarHBondContact N-O 2.66Å; S62-D106 PolarHBondContact O-N 3.39Å; S62-D106 WeakPolarHBondContact OG-CB 3.33Å; S62-D106 PolarHBondContact OG-O 2.85Å; S62-Q109 VanDerWaalsContact OG-CG 3.23Å; S62-Q109 WeakPolarHBondContact OG-CG 3.35Å; S62-Q109 PolarHBondContact OG-NE2 2.85Å; S62-Q109 PolarHBondContact OG-OE1 2.87Å
63	C	88.4	Confident	76.7	Confident	38 Å²	38	51.2 Å²	51.2	26%	0.257	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-84.2	141.6	166.5	-71.3	0	0	0	0	109.9	C94 Q109	C63-C94 VanDerWaalsContact CA-SG 3.6Å; C63-C94 HydrophobicContact CB-CB 3.7Å; C63-C94 WeakPolarHBondContact CB-SG 3.31Å; C63-C94 WeakPolarHBondContact SG-CA 3.44Å; C63-C94 WeakPolarHBondContact SG-CB 3.39Å; C63-C94 CovalentContact SG-SG 2.03Å; C63-C94 PolarHBondContact SG-SG 2.99Å; C63-Q109 PolarHBondContact O-NE2 3.45Å
64	P	85.2	Confident	75	Confident	31 Å²	31	55.9 Å²	55.9	20%	0.201	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-59.1	139.4	178.8	26	-34.5	0	0	0	111	Y66 L103 Q104	P64-Y66 HydrophobicContact CG-CE2 4.06Å; P64-Y66 WeakPolarHBondContact O-CD2 3.49Å; P64-Y66 VanDerWaalsContact O-CE2 3.32Å; P64-Y66 WeakPolarHBondContact O-CE2 3.42Å; P64-L103 HydrophobicContact CG-CB 4.16Å; P64-L103 HydrophobicContact CG-CD1 3.79Å; P64-Q104 WeakPolarHBondContact CD-O 3.04Å
65	L	81.9	Confident	73.4	Confident	36 Å²	36	61.5 Å²	61.5	19%	0.188	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-79.1	137.7	-178.6	-57.7	-171.5	0	0	0	111.6	P118 M121	L65-P118 HydrophobicContact CD1-CB 4.43Å; L65-P118 HydrophobicContact CD1-CG 4.14Å; L65-P118 HydrophobicContact CD2-CB 4.2Å; L65-P118 HydrophobicContact CD2-CG 4.07Å; L65-M121 HydrophobicContact CB-CG 4.03Å; L65-M121 HydrophobicContact CD1-CG 3.97Å
66	Y	74.6	Confident	72.1	Confident	84 Å²	84	66 Å²	66	33%	0.329	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	157.2	173.2	-65.1	-81.7	0	0	0	111.5	P64 Y68 L103 A120 M121	P64-Y66 HydrophobicContact CG-CE2 4.06Å; P64-Y66 WeakPolarHBondContact O-CD2 3.49Å; P64-Y66 VanDerWaalsContact O-CE2 3.32Å; P64-Y66 WeakPolarHBondContact O-CE2 3.42Å; Y66-Y68 PolarHBondContact O-N 3.03Å; Y66-L103 HydrophobicContact CE2-CD1 3.77Å; Y66-L103 WeakPolarHBondContact OH-CD1 3.17Å; Y66-A120 WeakPolarHBondContact O-CA 3.06Å; Y66-M121 PolarHBondContact O-N 2.72Å
67	S	68.2	Low	71	Confident	17 Å²	17	70 Å²	70	12%	0.119	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	124.2	167.5	178	0	0	0	0	109.8	K69 D70 M123	S67-K69 VanDerWaalsContact C-N 3.3Å; S67-K69 PolarHBondContact O-N 2.88Å; S67-D70 WeakPolarHBondContact CB-OD2 3.33Å; S67-D70 PolarHBondContact OG-OD2 2.91Å; S67-M123 WeakPolarHBondContact OG-CE 3.48Å
68	Y	63	Low	70.6	Confident	67 Å²	67	74.4 Å²	74.4	26%	0.263	39%	0.39	S	S	.	.	S	Bend	trans	-70.9	-24.3	-179.6	-178.9	-105.9	0	0	0	113.4	Y66 V72 T127 P129	Y66-Y68 PolarHBondContact O-N 3.03Å; Y68-V72 WeakPolarHBondContact O-CG2 3.46Å; Y68-T127 HydrophobicContact CD1-CG2 3.88Å; Y68-T127 HydrophobicContact CE1-CG2 3.95Å; Y68-P129 HydrophobicContact CD2-CG 4.3Å; Y68-P129 HydrophobicContact CE2-CB 3.76Å; Y68-P129 HydrophobicContact CE2-CG 4.03Å
69	K	60.8	Low	70.7	Confident	91 Å²	91	75 Å²	75	40%	0.396	38%	0.384	S	S	.	.	S	Bend	trans	-80.8	-37.2	-174.1	-90.5	-172.3	168	-178.1	0	114.4	S67 F71 D124	S67-K69 VanDerWaalsContact C-N 3.3Å; S67-K69 PolarHBondContact O-N 2.88Å; K69-F71 PolarHBondContact O-N 2.87Å; K69-F71 VanDerWaalsContact O-N 3.07Å; K69-D124 VanDerWaalsContact CE-OD1 3.25Å; K69-D124 WeakPolarHBondContact CE-OD1 3.2Å; K69-D124 IonicContact NZ-OD1 2.66Å; K69-D124 PolarHBondContact NZ-OD1 2.77Å; K69-D124 IonicContact NZ-OD2 2.64Å; K69-D124 PolarHBondContact NZ-OD2 3.27Å
70	D	59.7	Low	71.4	Confident	106 Å²	106	73.7 Å²	73.7	57%	0.567	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-5.4	-160.6	-58.1	-40.4	0	0	0	114.2	S67	S67-D70 WeakPolarHBondContact CB-OD2 3.33Å; S67-D70 PolarHBondContact OG-OD2 2.91Å
71	F	54.2	Low	72	Confident	72 Å²	72	73.7 Å²	73.7	32%	0.316	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133.6	10.6	-167.2	-56.5	-88.8	0	0	0	115.1	K69 F73 Q74 I97	K69-F71 PolarHBondContact O-N 2.87Å; K69-F71 VanDerWaalsContact O-N 3.07Å; F71-F73 PolarHBondContact O-N 3.18Å; F71-Q74 PolarHBondContact O-N 3.41Å; F71-I97 HydrophobicContact CB-CB 3.94Å; F71-I97 HydrophobicContact CB-CD1 3.37Å; F71-I97 HydrophobicContact CB-CG1 4.21Å; F71-I97 HydrophobicContact CB-CG2 3.93Å; F71-I97 HydrophobicContact CD1-CD1 3.44Å; F71-I97 VanDerWaalsContact CD1-CD1 3.44Å; F71-I97 HydrophobicContact CD2-CD1 3.5Å; F71-I97 VanDerWaalsContact CD2-CD1 3.5Å; F71-I97 HydrophobicContact CE1-CD1 3.98Å; F71-I97 HydrophobicContact CE2-CD1 4.04Å; F71-I97 HydrophobicContact CG-CD1 3.15Å; F71-I97 HydrophobicContact CG-CG1 4.4Å; F71-I97 HydrophobicContact CZ-CD1 4.25Å
72	V	55.6	Low	72.2	Confident	96 Å²	96	77.3 Å²	77.3	58%	0.582	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-5.6	-178.8	-177	0	0	0	0	113.4	Y68	Y68-V72 WeakPolarHBondContact O-CG2 3.46Å
73	F	52.6	Low	72.4	Confident	186 Å²	186	82.3 Å²	82.3	82%	0.816	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.7	4.3	-172.6	-60.3	-75.8	0	0	0	115.3	F71	F71-F73 PolarHBondContact O-N 3.18Å
74	Q	58.4	Low	72.4	Confident	102 Å²	102	81.3 Å²	81.3	48%	0.477	41%	0.414	S	S	.	.			trans	-90.4	121.8	178	-72.8	178.7	-52.7	0	0	111.2	F71 I98	F71-Q74 PolarHBondContact O-N 3.41Å; Q74-I98 HydrophobicContact CB-CG2 3.51Å; Q74-I98 HydrophobicContact CG-CG2 4.26Å
75	T	60.3	Low	72.7	Confident	122 Å²	122	84.6 Å²	84.6	75%	0.748	43%	0.427	S	S	*	.			trans	-91.9	-23.9	-171.3	53.1	0	0	0	0	114.7	V77	T75-V77 PolarHBondContact O-N 2.86Å; T75-V77 VanDerWaalsContact O-N 3.14Å
76	N	64.8	Low	73.1	Confident	137 Å²	137	87.4 Å²	87.4	73%	0.733	44%	0.443	S	S	*	.			trans	-89.4	81.1	-176.6	-65.4	17.3	0	0	0	108.5
77	V	68.4	Low	74	Confident	84 Å²	84	83.8 Å²	83.8	51%	0.509	43%	0.429	S	S	.	.			trans	-84.5	115.1	173.3	178.2	0	0	0	0	108.3	T75 I98	T75-V77 PolarHBondContact O-N 2.86Å; T75-V77 VanDerWaalsContact O-N 3.14Å; V77-I98 WeakPolarHBondContact CA-O 3.11Å
78	E	79.7	Confident	75	Confident	139 Å²	139	85.8 Å²	85.8	65%	0.65	44%	0.442	S	S	*	.			trans	-134.6	122.4	178.9	-171.3	168.4	-166.5	0	0	109.8	I98	E78-I98 PolarHBondContact N-O 3.28Å; E78-I98 VanDerWaalsContact N-O 3.13Å
79	D	85.3	Confident	76.3	Confident	51 Å²	51	87.1 Å²	87.1	27%	0.273	45%	0.453	S	S	.	.			trans	-84.8	111.6	178.8	-72.5	-22.2	0	0	0	108.9	G99 K100 R173	D79-G99 WeakPolarHBondContact OD1-CA 3.36Å; D79-K100 HydrophobicContact CB-CB 4.06Å; D79-K100 HydrophobicContact CB-CD 4.47Å; D79-K100 HydrophobicContact CB-CG 4.45Å; D79-K100 WeakPolarHBondContact OD1-CG 3.48Å; D79-K100 PolarHBondContact OD1-N 2.78Å; D79-R173 IonicContact OD2-CZ 2.66Å; D79-R173 IonicContact OD2-NE 3.2Å; D79-R173 PolarHBondContact OD2-NE 3.28Å; D79-R173 VanDerWaalsContact OD2-NE 3.14Å; D79-R173 IonicContact OD2-NH2 3.98Å
80	T	89	Confident	77.7	Confident	79 Å²	79	84.7 Å²	84.7	49%	0.485	44%	0.442	S	S	.	.	S	Bend	trans	-90.3	-4.7	-179.7	63.9	0	0	0	0	114	K100 Y101	T80-K100 PolarHBondContact N-O 3.04Å; T80-K100 PolarHBondContact OG1-O 2.85Å; T80-Y101 HydrophobicContact CG2-CD1 3.92Å; T80-Y101 HydrophobicContact CG2-CE1 3.46Å; T80-Y101 VanDerWaalsContact CG2-CE1 3.46Å; T80-Y101 WeakPolarHBondContact OG1-CD1 3.39Å
81	C	91.7	Very high	79.2	Confident	7 Å²	7	84.8 Å²	84.8	5%	0.047	43%	0.434	C	S	.	.			trans	-154.4	158.5	174.1	59.5	0	0	0	0	108.3	D86 C93 K100	C81-D86 HydrophobicContact CB-CB 4Å; C81-C93 HydrophobicContact CB-CB 3.83Å; C81-C93 WeakPolarHBondContact CB-SG 3.28Å; C81-C93 PolarHBondContact O-SG 2.03Å; C81-C93 VanDerWaalsContact O-SG 3.38Å; C81-C93 WeakPolarHBondContact SG-CA 3.34Å; C81-C93 WeakPolarHBondContact SG-CB 3.02Å; C81-C93 CovalentContact SG-SG 2.04Å; C81-C93 PolarHBondContact SG-SG 3.37Å; C81-K100 WeakPolarHBondContact O-CB 3Å; C81-K100 WeakPolarHBondContact O-CD 3.34Å
82	E	88.6	Confident	81	Confident	78 Å²	78	81.8 Å²	81.8	36%	0.364	42%	0.421	S	S	.	.	S	Bend	trans	-110.8	-34.9	171	-77.6	-73.8	-174.1	0	0	112.1	D86 K100 R173	E82-D86 WeakPolarHBondContact CA-OD2 3Å; E82-D86 PolarHBondContact N-OD2 3.43Å; E82-K100 PolarHBondContact O-NZ 3.12Å; E82-K100 IonicContact OE2-NZ 3.14Å; E82-K100 PolarHBondContact OE2-NZ 3.34Å; E82-R173 IonicContact OE1-CZ 3.94Å; E82-R173 IonicContact OE1-NH2 2.65Å; E82-R173 PolarHBondContact OE1-NH2 2.63Å
83	L	89.2	Confident	82.6	Confident	105 Å²	105	78 Å²	78	55%	0.55	40%	0.399	S	S	.	.	S	Bend	trans	-131	159.7	-174.3	-59.6	176.3	0	0	0	111.9	E85 D86 C93	L83-E85 PolarHBondContact O-N 3.3Å; L83-D86 PolarHBondContact N-OD2 3.12Å; L83-D86 PolarHBondContact O-N 2.69Å; L83-D86 VanDerWaalsContact O-N 3.15Å; L83-C93 WeakPolarHBondContact O-CB 3.49Å
84	D	89.8	Confident	84.3	Confident	17 Å²	17	69.3 Å²	69.3	9%	0.091	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-58.5	-31.2	178.2	-75.4	-39.1	0	0	0	112.6	K45 G58 D86 C87 K92 C93	K45-D84 VanDerWaalsContact CE-O 3.31Å; K45-D84 WeakPolarHBondContact CE-O 3.44Å; K45-D84 PolarHBondContact NZ-O 3.49Å; G58-D84 PolarHBondContact N-OD2 3.37Å; D84-D86 VanDerWaalsContact C-N 3.33Å; D84-D86 PolarHBondContact O-N 2.93Å; D84-C87 PolarHBondContact O-N 3.4Å; D84-K92 VanDerWaalsContact CG-NZ 3.29Å; D84-K92 WeakPolarHBondContact OD1-CA 3.03Å; D84-K92 WeakPolarHBondContact OD1-CB 3.42Å; D84-K92 VanDerWaalsContact OD1-CG 3.3Å; D84-K92 WeakPolarHBondContact OD1-CG 3.03Å; D84-K92 IonicContact OD1-NZ 2.57Å; D84-K92 PolarHBondContact OD1-NZ 2.84Å; D84-K92 IonicContact OD2-NZ 3.68Å; D84-K92 PolarHBondContact OD2-NZ 3.26Å; D84-C93 PolarHBondContact OD1-N 2.91Å
85	E	90.7	Very high	85.4	Confident	100 Å²	100	67.6 Å²	67.6	47%	0.467	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-62.1	-35.2	178.6	-71.9	67.1	-152.9	0	0	112.9	V57 L83 C87	V57-E85 WeakPolarHBondContact CG1-OE1 3.37Å; L83-E85 PolarHBondContact O-N 3.3Å; E85-C87 PolarHBondContact O-N 3.25Å
86	D	91.4	Very high	86.2	Confident	96 Å²	96	62.5 Å²	62.5	51%	0.513	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-67.6	-23.4	-176.5	-56.4	-33.8	0	0	0	112.7	C81 E82 L83 D84	C81-D86 HydrophobicContact CB-CB 4Å; E82-D86 WeakPolarHBondContact CA-OD2 3Å; E82-D86 PolarHBondContact N-OD2 3.43Å; L83-D86 PolarHBondContact N-OD2 3.12Å; L83-D86 PolarHBondContact O-N 2.69Å; L83-D86 VanDerWaalsContact O-N 3.15Å; D84-D86 VanDerWaalsContact C-N 3.33Å; D84-D86 PolarHBondContact O-N 2.93Å
87	C	92.3	Very high	86.5	Confident	7 Å²	7	57.9 Å²	57.9	5%	0.047	30%	0.296	C	S	.	.	S	Bend	trans	-75.2	155.4	-177.1	-68.3	0	0	0	0	112.8	K45 D84 E85 R91 C102	K45-C87 PolarHBondContact NZ-O 3.43Å; D84-C87 PolarHBondContact O-N 3.4Å; E85-C87 PolarHBondContact O-N 3.25Å; C87-R91 HydrophobicContact CB-CB 4.04Å; C87-R91 WeakPolarHBondContact CB-O 3.32Å; C87-C102 WeakPolarHBondContact CA-SG 3.45Å; C87-C102 HydrophobicContact CB-CB 3.67Å; C87-C102 WeakPolarHBondContact CB-SG 3.32Å; C87-C102 WeakPolarHBondContact SG-CA 3.32Å; C87-C102 WeakPolarHBondContact SG-CB 3.34Å; C87-C102 CovalentContact SG-SG 2.04Å; C87-C102 PolarHBondContact SG-SG 2.7Å
88	P	90.4	Very high	86.9	Confident	60 Å²	60	55.8 Å²	55.8	39%	0.39	28%	0.282	S	S	.	.	S	Bend	trans	-67.8	146.2	168.3	30.1	-34.9	0	0	0	110.8	R91	P88-R91 WeakPolarHBondContact O-CB 3.48Å; P88-R91 PolarHBondContact O-N 2.93Å; P88-R91 VanDerWaalsContact O-N 3.16Å
89	D	89.6	Confident	86.9	Confident	94 Å²	94	49.2 Å²	49.2	50%	0.503	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.1	-134.8	167.2	-40.6	-51.1	0	0	0	113.5	K45 R91	K45-D89 VanDerWaalsContact CE-O 3.28Å; K45-D89 WeakPolarHBondContact CE-O 3.3Å; K45-D89 PolarHBondContact NZ-O 2.04Å; D89-R91 VanDerWaalsContact C-N 3.27Å; D89-R91 PolarHBondContact O-N 2.86Å
90	W	90.1	Very high	86.9	Confident	40 Å²	40	48 Å²	48	15%	0.152	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	14.6	-179.7	67.5	87	0	0	0	115	H39 L40 Q46 M47 V56 P105	H39-W90 HydrophobicContact CB-CD2 3.66Å; H39-W90 HydrophobicContact CB-CE3 3.8Å; H39-W90 HydrophobicContact CB-CG 4.29Å; H39-W90 HydrophobicContact CB-CH2 4.01Å; H39-W90 HydrophobicContact CB-CZ2 3.83Å; H39-W90 HydrophobicContact CB-CZ3 3.99Å; H39-W90 AromaticContact CD2-CE2 3.72Å; H39-W90 AromaticContact CD2-CZ2 3.88Å; H39-W90 AromaticContact CD2-NE1 3.56Å; H39-W90 AromaticContact CG-CE2 3.99Å; L40-W90 HydrophobicContact CD2-CH2 4.09Å; L40-W90 HydrophobicContact CD2-CZ3 3.88Å; L40-W90 HydrophobicContact CG-CH2 3.94Å; L40-W90 HydrophobicContact CG-CZ3 3.91Å; Q46-W90 VanDerWaalsContact O-CB 3.32Å; Q46-W90 WeakPolarHBondContact O-CB 3.4Å; M47-W90 HydrophobicContact CB-CB 3.77Å; M47-W90 HydrophobicContact CB-CG 3.87Å; V56-W90 HydrophobicContact CG1-CB 4.19Å; W90-P105 WeakPolarHBondContact O-CD 3.04Å; W90-P105 WeakPolarHBondContact O-CG 3.38Å
91	R	91.6	Very high	86.9	Confident	108 Å²	108	47.6 Å²	47.6	41%	0.408	23%	0.234	S	C	.	.			trans	-80.7	145.8	175.5	-64.8	-175.7	-176.2	152.2	3.7	111.2	K45 C87 P88 D89 C102 L103	K45-R91 PolarHBondContact NZ-O 3.08Å; C87-R91 HydrophobicContact CB-CB 4.04Å; C87-R91 WeakPolarHBondContact CB-O 3.32Å; P88-R91 WeakPolarHBondContact O-CB 3.48Å; P88-R91 PolarHBondContact O-N 2.93Å; P88-R91 VanDerWaalsContact O-N 3.16Å; D89-R91 VanDerWaalsContact C-N 3.27Å; D89-R91 PolarHBondContact O-N 2.86Å; R91-C102 HydrophobicContact CB-CB 4.22Å; R91-L103 VanDerWaalsContact CA-O 3.29Å; R91-L103 WeakPolarHBondContact CA-O 3.3Å; R91-L103 WeakPolarHBondContact CB-O 3.15Å
92	K	90.6	Very high	86.9	Confident	9 Å²	9	48.9 Å²	48.9	4%	0.039	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	150	173.9	-79.3	-178.2	73.9	60.1	0	110.9	V56 G58 M61 D84 C94 C102 L103 P105	V56-K92 HydrophobicContact CB-CG 4.04Å; V56-K92 HydrophobicContact CG2-CG 4.22Å; V56-K92 WeakPolarHBondContact O-CD 3.46Å; V56-K92 VanDerWaalsContact O-CG 3.32Å; V56-K92 WeakPolarHBondContact O-CG 3.06Å; V56-K92 PolarHBondContact O-NZ 3.46Å; G58-K92 PolarHBondContact O-NZ 3.36Å; M61-K92 HydrophobicContact CB-CD 4.41Å; M61-K92 VanDerWaalsContact O-CE 3.26Å; M61-K92 WeakPolarHBondContact O-CE 3.5Å; D84-K92 VanDerWaalsContact CG-NZ 3.29Å; D84-K92 WeakPolarHBondContact OD1-CA 3.03Å; D84-K92 WeakPolarHBondContact OD1-CB 3.42Å; D84-K92 VanDerWaalsContact OD1-CG 3.3Å; D84-K92 WeakPolarHBondContact OD1-CG 3.03Å; D84-K92 IonicContact OD1-NZ 2.57Å; D84-K92 PolarHBondContact OD1-NZ 2.84Å; D84-K92 IonicContact OD2-NZ 3.68Å; D84-K92 PolarHBondContact OD2-NZ 3.26Å; K92-C94 PolarHBondContact O-N 2.94Å; K92-C102 CarbonylContact O-C 3.52Å; K92-C102 WeakPolarHBondContact O-CA 3.29Å; K92-L103 PolarHBondContact N-O 2.75Å; K92-L103 PolarHBondContact O-N 3.46Å; K92-P105 HydrophobicContact CB-CG 4.32Å; K92-P105 HydrophobicContact CD-CB 3.97Å; K92-P105 HydrophobicContact CD-CG 3.86Å; K92-P105 HydrophobicContact CG-CB 4.42Å; K92-P105 HydrophobicContact CG-CG 3.76Å
93	C	90.7	Very high	87	Confident	18 Å²	18	46.7 Å²	46.7	12%	0.122	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	108.8	171	-174.4	0	0	0	0	109.3	C81 L83 D84	C81-C93 HydrophobicContact CB-CB 3.83Å; C81-C93 WeakPolarHBondContact CB-SG 3.28Å; C81-C93 PolarHBondContact O-SG 2.03Å; C81-C93 VanDerWaalsContact O-SG 3.38Å; C81-C93 WeakPolarHBondContact SG-CA 3.34Å; C81-C93 WeakPolarHBondContact SG-CB 3.02Å; C81-C93 CovalentContact SG-SG 2.04Å; C81-C93 PolarHBondContact SG-SG 3.37Å; L83-C93 WeakPolarHBondContact O-CB 3.49Å; D84-C93 PolarHBondContact OD1-N 2.91Å
94	C	88.2	Confident	87	Confident	2 Å²	2	46.9 Å²	46.9	1%	0.014	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	122.8	-168.9	-70.7	0	0	0	0	110.5	C63 K92 T96 K100 Y101 L103	C63-C94 VanDerWaalsContact CA-SG 3.6Å; C63-C94 HydrophobicContact CB-CB 3.7Å; C63-C94 WeakPolarHBondContact CB-SG 3.31Å; C63-C94 WeakPolarHBondContact SG-CA 3.44Å; C63-C94 WeakPolarHBondContact SG-CB 3.39Å; C63-C94 CovalentContact SG-SG 2.03Å; C63-C94 PolarHBondContact SG-SG 2.99Å; K92-C94 PolarHBondContact O-N 2.94Å; C94-T96 PolarHBondContact O-N 3.26Å; C94-K100 WeakPolarHBondContact O-CA 3.4Å; C94-Y101 PolarHBondContact N-O 3.16Å; C94-Y101 PolarHBondContact O-N 2.9Å; C94-L103 HydrophobicContact CB-CB 4.22Å; C94-L103 HydrophobicContact CB-CD1 3.61Å; C94-L103 HydrophobicContact CB-CG 3.97Å
95	Q	80.9	Confident	86.9	Confident	67 Å²	67	46.3 Å²	46.3	31%	0.313	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	117.1	171.7	-176.7	69.1	73.5	0	0	109.5
96	T	77.3	Confident	86.7	Confident	14 Å²	14	44.1 Å²	44.1	9%	0.086	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	161.4	166.9	84.1	0	0	0	0	110.1	C94 I98 G99 Y101 L103	C94-T96 PolarHBondContact O-N 3.26Å; T96-I98 PolarHBondContact O-N 3.48Å; T96-I98 VanDerWaalsContact O-N 3.12Å; T96-I98 WeakPolarHBondContact OG1-CG1 3.42Å; T96-I98 PolarHBondContact OG1-N 3.15Å; T96-G99 WeakPolarHBondContact CA-O 3.35Å; T96-G99 VanDerWaalsContact CB-O 3.31Å; T96-G99 WeakPolarHBondContact CB-O 3.34Å; T96-G99 PolarHBondContact N-O 2.81Å; T96-G99 PolarHBondContact O-N 2.72Å; T96-G99 PolarHBondContact OG1-N 2.78Å; T96-G99 PolarHBondContact OG1-O 3.35Å; T96-Y101 HydrophobicContact CG2-CD2 4.19Å; T96-L103 HydrophobicContact CG2-CD1 4.18Å
97	I	71.3	Confident	86.2	Confident	40 Å²	40	41.9 Å²	41.9	21%	0.205	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-22.9	-42.2	150.2	41.4	164.5	0	0	0	117.2	F71	F71-I97 HydrophobicContact CB-CB 3.94Å; F71-I97 HydrophobicContact CB-CD1 3.37Å; F71-I97 HydrophobicContact CB-CG1 4.21Å; F71-I97 HydrophobicContact CB-CG2 3.93Å; F71-I97 HydrophobicContact CD1-CD1 3.44Å; F71-I97 VanDerWaalsContact CD1-CD1 3.44Å; F71-I97 HydrophobicContact CD2-CD1 3.5Å; F71-I97 VanDerWaalsContact CD2-CD1 3.5Å; F71-I97 HydrophobicContact CE1-CD1 3.98Å; F71-I97 HydrophobicContact CE2-CD1 4.04Å; F71-I97 HydrophobicContact CG-CD1 3.15Å; F71-I97 HydrophobicContact CG-CG1 4.4Å; F71-I97 HydrophobicContact CZ-CD1 4.25Å
98	I	76.3	Confident	85.7	Confident	41 Å²	41	50 Å²	50	21%	0.21	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.3	18.8	-175.1	54.8	167.2	0	0	0	113.4	Q74 V77 E78 T96 Y101	Q74-I98 HydrophobicContact CB-CG2 3.51Å; Q74-I98 HydrophobicContact CG-CG2 4.26Å; V77-I98 WeakPolarHBondContact CA-O 3.11Å; E78-I98 PolarHBondContact N-O 3.28Å; E78-I98 VanDerWaalsContact N-O 3.13Å; T96-I98 PolarHBondContact O-N 3.48Å; T96-I98 VanDerWaalsContact O-N 3.12Å; T96-I98 WeakPolarHBondContact OG1-CG1 3.42Å; T96-I98 PolarHBondContact OG1-N 3.15Å; I98-Y101 HydrophobicContact CD1-CE2 4.06Å; I98-Y101 HydrophobicContact CG1-CD2 4.44Å; I98-Y101 HydrophobicContact CG1-CE2 3.83Å
99	G	79.3	Confident	85.3	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	111	-177.5	-176.4	0	0	0	0	0	112.3	D79 T96 Y101	D79-G99 WeakPolarHBondContact OD1-CA 3.36Å; T96-G99 WeakPolarHBondContact CA-O 3.35Å; T96-G99 VanDerWaalsContact CB-O 3.31Å; T96-G99 WeakPolarHBondContact CB-O 3.34Å; T96-G99 PolarHBondContact N-O 2.81Å; T96-G99 PolarHBondContact O-N 2.72Å; T96-G99 PolarHBondContact OG1-N 2.78Å; T96-G99 PolarHBondContact OG1-O 3.35Å; G99-Y101 WeakPolarHBondContact O-CD2 3.37Å
100	K	85.6	Confident	85	Confident	26 Å²	26	52 Å²	52	11%	0.113	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	129.5	-178.7	-70.5	179.6	173.9	-171.3	0	112	D79 T80 C81 E82 C94	D79-K100 HydrophobicContact CB-CB 4.06Å; D79-K100 HydrophobicContact CB-CD 4.47Å; D79-K100 HydrophobicContact CB-CG 4.45Å; D79-K100 WeakPolarHBondContact OD1-CG 3.48Å; D79-K100 PolarHBondContact OD1-N 2.78Å; T80-K100 PolarHBondContact N-O 3.04Å; T80-K100 PolarHBondContact OG1-O 2.85Å; C81-K100 WeakPolarHBondContact O-CB 3Å; C81-K100 WeakPolarHBondContact O-CD 3.34Å; E82-K100 PolarHBondContact O-NZ 3.12Å; E82-K100 IonicContact OE2-NZ 3.14Å; E82-K100 PolarHBondContact OE2-NZ 3.34Å; C94-K100 WeakPolarHBondContact O-CA 3.4Å
101	Y	88.7	Confident	84.7	Confident	71 Å²	71	53.3 Å²	53.3	28%	0.278	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	149.4	178.8	-73.8	-88.3	0	0	0	112.5	T80 C94 T96 I98 G99 L103	T80-Y101 HydrophobicContact CG2-CD1 3.92Å; T80-Y101 HydrophobicContact CG2-CE1 3.46Å; T80-Y101 VanDerWaalsContact CG2-CE1 3.46Å; T80-Y101 WeakPolarHBondContact OG1-CD1 3.39Å; C94-Y101 PolarHBondContact N-O 3.16Å; C94-Y101 PolarHBondContact O-N 2.9Å; T96-Y101 HydrophobicContact CG2-CD2 4.19Å; I98-Y101 HydrophobicContact CD1-CE2 4.06Å; I98-Y101 HydrophobicContact CG1-CD2 4.44Å; I98-Y101 HydrophobicContact CG1-CE2 3.83Å; G99-Y101 WeakPolarHBondContact O-CD2 3.37Å; Y101-L103 PolarHBondContact O-N 3.19Å
102	C	91.8	Very high	84.4	Confident	33 Å²	33	48.6 Å²	48.6	22%	0.223	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	101	176.8	-67.3	0	0	0	0	111.6	C87 R91 K92	C87-C102 WeakPolarHBondContact CA-SG 3.45Å; C87-C102 HydrophobicContact CB-CB 3.67Å; C87-C102 WeakPolarHBondContact CB-SG 3.32Å; C87-C102 WeakPolarHBondContact SG-CA 3.32Å; C87-C102 WeakPolarHBondContact SG-CB 3.34Å; C87-C102 CovalentContact SG-SG 2.04Å; C87-C102 PolarHBondContact SG-SG 2.7Å; R91-C102 HydrophobicContact CB-CB 4.22Å; K92-C102 CarbonylContact O-C 3.52Å; K92-C102 WeakPolarHBondContact O-CA 3.29Å
103	L	90.8	Very high	84.1	Confident	32 Å²	32	54.4 Å²	54.4	17%	0.168	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	156.5	-173.7	-57.7	-178.2	0	0	0	112.2	P64 Y66 R91 K92 C94 T96 Y101	P64-L103 HydrophobicContact CG-CB 4.16Å; P64-L103 HydrophobicContact CG-CD1 3.79Å; Y66-L103 HydrophobicContact CE2-CD1 3.77Å; Y66-L103 WeakPolarHBondContact OH-CD1 3.17Å; R91-L103 VanDerWaalsContact CA-O 3.29Å; R91-L103 WeakPolarHBondContact CA-O 3.3Å; R91-L103 WeakPolarHBondContact CB-O 3.15Å; K92-L103 PolarHBondContact N-O 2.75Å; K92-L103 PolarHBondContact O-N 3.46Å; C94-L103 HydrophobicContact CB-CB 4.22Å; C94-L103 HydrophobicContact CB-CD1 3.61Å; C94-L103 HydrophobicContact CB-CG 3.97Å; T96-L103 HydrophobicContact CG2-CD1 4.18Å; Y101-L103 PolarHBondContact O-N 3.19Å
104	Q	89.7	Confident	83.5	Confident	110 Å²	110	56.2 Å²	56.2	51%	0.514	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-69.1	131	167.8	-178.5	167.4	0.5	0	0	109.4	H39 P64	H39-Q104 PolarHBondContact NE2-NE2 3.39Å; P64-Q104 WeakPolarHBondContact CD-O 3.04Å
105	P	87.7	Confident	83.1	Confident	5 Å²	5	58.2 Å²	58.2	3%	0.032	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-68.1	144.7	179	-20.5	34.5	0	0	0	112	M47 V56 M61 S62 W90 K92	M47-P105 HydrophobicContact SD-CB 3.91Å; M47-P105 HydrophobicContact SD-CG 3.83Å; V56-P105 HydrophobicContact CB-CG 4.05Å; V56-P105 HydrophobicContact CG1-CG 3.98Å; M61-P105 HydrophobicContact CB-CB 3.89Å; M61-P105 HydrophobicContact CE-CB 4.19Å; S62-P105 CarbonylContact O-C 3.59Å; S62-P105 VanDerWaalsContact O-CA 3.23Å; S62-P105 WeakPolarHBondContact O-CA 2.99Å; S62-P105 WeakPolarHBondContact O-CB 3.09Å; W90-P105 WeakPolarHBondContact O-CD 3.04Å; W90-P105 WeakPolarHBondContact O-CG 3.38Å; K92-P105 HydrophobicContact CB-CG 4.32Å; K92-P105 HydrophobicContact CD-CB 3.97Å; K92-P105 HydrophobicContact CD-CG 3.86Å; K92-P105 HydrophobicContact CG-CB 4.42Å; K92-P105 HydrophobicContact CG-CG 3.76Å
106	D	87.1	Confident	83.1	Confident	53 Å²	53	56.7 Å²	56.7	28%	0.283	30%	0.301	S	S	.	.	B	Isolated β-bridge	trans	-90.3	128.1	171.7	-177.2	-9.9	0	0	0	109.7	S62 Q108 Q109	S62-D106 PolarHBondContact N-O 2.66Å; S62-D106 PolarHBondContact O-N 3.39Å; S62-D106 WeakPolarHBondContact OG-CB 3.33Å; S62-D106 PolarHBondContact OG-O 2.85Å; D106-Q108 PolarHBondContact OD1-N 3.43Å; D106-Q109 HydrophobicContact CB-CG 3.9Å; D106-Q109 WeakPolarHBondContact OD2-CG 3.47Å; D106-Q109 PolarHBondContact OD2-NE2 2.95Å
107	V	80.8	Confident	83.4	Confident	50 Å²	50	57.4 Å²	57.4	30%	0.303	30%	0.302	S	S	.	.	S	Bend	trans	-93.4	-22.1	-173.5	-156.2	0	0	0	0	111.8	P27 M47 V49 M61	P27-V107 HydrophobicContact CG-CG1 3.96Å; M47-V107 HydrophobicContact CE-CG2 3.62Å; V49-V107 HydrophobicContact CB-CG1 4.36Å; V49-V107 HydrophobicContact CG1-CG1 3.6Å; V49-V107 HydrophobicContact CG2-CG1 3.83Å; M61-V107 HydrophobicContact CE-CB 3.97Å; M61-V107 HydrophobicContact CE-CG1 3.76Å; M61-V107 HydrophobicContact CE-CG2 3.68Å
108	Q	80.4	Confident	84.1	Confident	176 Å²	176	55.7 Å²	55.7	82%	0.822	29%	0.294	S	S	*	.	S	Bend	trans	-102.9	-4.3	-168.1	-60.4	-168.6	7.7	0	0	113.4	D106	D106-Q108 PolarHBondContact OD1-N 3.43Å
109	Q	82.6	Confident	84.3	Confident	23 Å²	23	56.5 Å²	56.5	11%	0.107	30%	0.298	C	S	.	.			trans	-59.2	149.8	176.8	-61	-164.5	11.1	0	0	112.4	S62 C63 D106 W117	S62-Q109 VanDerWaalsContact OG-CG 3.23Å; S62-Q109 WeakPolarHBondContact OG-CG 3.35Å; S62-Q109 PolarHBondContact OG-NE2 2.85Å; S62-Q109 PolarHBondContact OG-OE1 2.87Å; C63-Q109 PolarHBondContact O-NE2 3.45Å; D106-Q109 HydrophobicContact CB-CG 3.9Å; D106-Q109 WeakPolarHBondContact OD2-CG 3.47Å; D106-Q109 PolarHBondContact OD2-NE2 2.95Å; Q109-W117 HydrophobicContact CB-CE3 4.15Å; Q109-W117 HydrophobicContact CB-CZ3 3.86Å
110	R	83.1	Confident	84.4	Confident	173 Å²	173	56.8 Å²	56.8	65%	0.653	30%	0.3	S	S	*	.			trans	-104.6	120.8	172.9	-61.7	-173.1	-179.1	-155.4	-1.1	108.8
111	K	84.4	Confident	84.4	Confident	69 Å²	69	59.4 Å²	59.4	30%	0.3	31%	0.314	S	S	.	.			trans	-48.8	145.9	168.8	-74.8	168.5	170.3	163.7	0	110.5	G115 S116 W117	K111-G115 VanDerWaalsContact CD-O 3.29Å; K111-G115 WeakPolarHBondContact CD-O 2.98Å; K111-G115 WeakPolarHBondContact CG-O 3.23Å; K111-S116 CarbonylContact C-O 3.56Å; K111-S116 WeakPolarHBondContact CA-O 3.28Å; K111-W117 HydrophobicContact CD-CH2 4.33Å; K111-W117 HydrophobicContact CD-CZ2 4.38Å; K111-W117 HydrophobicContact CD-CZ3 4.42Å; K111-W117 VanDerWaalsContact CE-CE2 3.41Å; K111-W117 HydrophobicContact CG-CD2 3.9Å; K111-W117 HydrophobicContact CG-CE3 3.56Å; K111-W117 HydrophobicContact CG-CH2 4.03Å; K111-W117 HydrophobicContact CG-CZ2 4.32Å; K111-W117 HydrophobicContact CG-CZ3 3.63Å
112	C	86.4	Confident	84.2	Confident	8 Å²	8	56.1 Å²	56.1	5%	0.054	30%	0.301	C	S	.	.			trans	-60.6	166.8	171.2	-63.4	0	0	0	0	111	T114 G115 S116 C141	C112-T114 PolarHBondContact O-N 3.2Å; C112-G115 PolarHBondContact O-N 3.27Å; C112-S116 WeakPolarHBondContact CB-O 3.23Å; C112-S116 PolarHBondContact N-O 3.28Å; C112-C141 HydrophobicContact CB-CB 3.74Å; C112-C141 WeakPolarHBondContact CB-SG 3.26Å; C112-C141 WeakPolarHBondContact SG-CA 3.32Å; C112-C141 WeakPolarHBondContact SG-CB 3.4Å; C112-C141 CovalentContact SG-SG 2.03Å; C112-C141 PolarHBondContact SG-SG 2.57Å
113	S	82.9	Confident	83.4	Confident	131 Å²	131	60.2 Å²	60.2	92%	0.916	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-17.9	173.7	48	0	0	0	0	113.7
114	T	77.5	Confident	82.7	Confident	56 Å²	56	62.7 Å²	62.7	34%	0.344	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-6.9	172.6	57	0	0	0	0	114.7	C112 S116 P144	C112-T114 PolarHBondContact O-N 3.2Å; T114-S116 PolarHBondContact O-N 3.29Å; T114-S116 WeakPolarHBondContact OG1-CB 3.48Å; T114-S116 PolarHBondContact OG1-N 3.37Å; T114-S116 PolarHBondContact OG1-OG 2.04Å; T114-P144 HydrophobicContact CG2-CG 3.85Å
115	G	80.8	Confident	81.8	Confident	44 Å²	44	59 Å²	59	45%	0.454	32%	0.324	S	S	.	.	S	Bend	trans	78.8	-8.2	-168	0	0	0	0	0	114.7	K111 C112	K111-G115 VanDerWaalsContact CD-O 3.29Å; K111-G115 WeakPolarHBondContact CD-O 2.98Å; K111-G115 WeakPolarHBondContact CG-O 3.23Å; C112-G115 PolarHBondContact O-N 3.27Å
116	S	80.9	Confident	81.1	Confident	36 Å²	36	63.6 Å²	63.6	25%	0.252	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-74.5	156.7	176	-41.2	0	0	0	0	111.9	K111 C112 T114	K111-S116 CarbonylContact C-O 3.56Å; K111-S116 WeakPolarHBondContact CA-O 3.28Å; C112-S116 WeakPolarHBondContact CB-O 3.23Å; C112-S116 PolarHBondContact N-O 3.28Å; T114-S116 PolarHBondContact O-N 3.29Å; T114-S116 WeakPolarHBondContact OG1-CB 3.48Å; T114-S116 PolarHBondContact OG1-N 3.37Å; T114-S116 PolarHBondContact OG1-OG 2.04Å
117	W	83	Confident	80.7	Confident	28 Å²	28	63.8 Å²	63.8	11%	0.106	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-74.4	144.8	168.2	-63.7	117.7	0	0	0	111.6	N59 M61 Q109 K111 P142	N59-W117 PolarHBondContact O-NE1 2.85Å; M61-W117 PolarHBondContact O-NE1 2.03Å; Q109-W117 HydrophobicContact CB-CE3 4.15Å; Q109-W117 HydrophobicContact CB-CZ3 3.86Å; K111-W117 HydrophobicContact CD-CH2 4.33Å; K111-W117 HydrophobicContact CD-CZ2 4.38Å; K111-W117 HydrophobicContact CD-CZ3 4.42Å; K111-W117 VanDerWaalsContact CE-CE2 3.41Å; K111-W117 HydrophobicContact CG-CD2 3.9Å; K111-W117 HydrophobicContact CG-CE3 3.56Å; K111-W117 HydrophobicContact CG-CH2 4.03Å; K111-W117 HydrophobicContact CG-CZ2 4.32Å; K111-W117 HydrophobicContact CG-CZ3 3.63Å; W117-P142 WeakPolarHBondContact O-CD 2.93Å
118	P	86.4	Confident	80.8	Confident	5 Å²	5	62.6 Å²	62.6	3%	0.032	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-72.4	163.8	165.1	29.3	-28.4	0	0	0	111.1	L65 H139 C140	L65-P118 HydrophobicContact CD1-CB 4.43Å; L65-P118 HydrophobicContact CD1-CG 4.14Å; L65-P118 HydrophobicContact CD2-CB 4.2Å; L65-P118 HydrophobicContact CD2-CG 4.07Å; P118-H139 HydrophobicContact CB-CB 3.79Å; P118-H139 HydrophobicContact CG-CB 4.35Å; P118-C140 WeakPolarHBondContact CA-O 3.02Å
119	I	80.9	Confident	80.4	Confident	57 Å²	57	54.9 Å²	54.9	29%	0.292	31%	0.313	S	S	.	.			trans	-118.8	-20.5	-177.9	61.5	157.7	0	0	0	115.2	P129 Y132 C140 T170	I119-P129 HydrophobicContact CD1-CG 3.6Å; I119-Y132 HydrophobicContact CB-CE1 4.19Å; I119-Y132 HydrophobicContact CD1-CD1 3.71Å; I119-Y132 HydrophobicContact CD1-CD2 3.83Å; I119-Y132 HydrophobicContact CD1-CE1 3.44Å; I119-Y132 VanDerWaalsContact CD1-CE1 3.44Å; I119-Y132 HydrophobicContact CD1-CE2 3.58Å; I119-Y132 HydrophobicContact CD1-CG 3.91Å; I119-Y132 HydrophobicContact CG1-CD1 3.64Å; I119-Y132 HydrophobicContact CG1-CE1 3.48Å; I119-Y132 VanDerWaalsContact CG1-CE1 3.48Å; I119-Y132 HydrophobicContact CG1-CG 4.25Å; I119-Y132 HydrophobicContact CG2-CE1 3.65Å; I119-C140 HydrophobicContact CG1-CB 4.27Å; I119-C140 PolarHBondContact N-O 3.47Å; I119-T170 HydrophobicContact CG2-CG2 3.67Å
120	A	81.2	Confident	79.5	Confident	7 Å²	7	59.3 Å²	59.3	6%	0.058	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	165.3	-175.9	0	0	0	0	0	110.5	Y66 C140	Y66-A120 WeakPolarHBondContact O-CA 3.06Å; A120-C140 HydrophobicContact CB-CB 4.28Å; A120-C140 PolarHBondContact O-N 2.99Å
121	M	85.5	Confident	79	Confident	81 Å²	81	51.7 Å²	51.7	40%	0.399	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	137.3	168	-64.3	-178.9	73.3	0	0	111.1	L65 Y66 N138	L65-M121 HydrophobicContact CB-CG 4.03Å; L65-M121 HydrophobicContact CD1-CG 3.97Å; Y66-M121 PolarHBondContact O-N 2.72Å; M121-N138 CarbonylContact C-O 3.52Å; M121-N138 VanDerWaalsContact CA-O 3.3Å; M121-N138 WeakPolarHBondContact CA-O 3.23Å
122	C	85.5	Confident	78.8	Confident	1 Å²	1	49.9 Å²	49.9	1%	0.007	31%	0.305	C	S	.	.			trans	-105.4	86.4	176.7	33.9	0	0	0	0	110	D124 G125 T127 C128 C134 N138 H139	C122-D124 VanDerWaalsContact C-N 3.3Å; C122-D124 PolarHBondContact O-N 3.36Å; C122-G125 PolarHBondContact O-N 2.93Å; C122-T127 WeakPolarHBondContact CB-O 3.29Å; C122-C128 VanDerWaalsContact SG-SG 3.67Å; C122-C134 HydrophobicContact CB-CB 3.85Å; C122-C134 WeakPolarHBondContact CB-SG 3.37Å; C122-C134 VanDerWaalsContact SG-CA 3.54Å; C122-C134 WeakPolarHBondContact SG-CB 3.49Å; C122-C134 CovalentContact SG-SG 2.03Å; C122-C134 PolarHBondContact SG-SG 3.41Å; C122-N138 PolarHBondContact N-O 3.43Å; C122-N138 PolarHBondContact SG-O 3Å; C122-H139 VanDerWaalsContact SG-C 3.59Å
123	M	73.3	Confident	78.7	Confident	119 Å²	119	53 Å²	53	59%	0.586	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-37.9	-174.1	-68.4	-177.2	174.5	0	0	114	S67 G125	S67-M123 WeakPolarHBondContact OG-CE 3.48Å; M123-G125 PolarHBondContact O-N 2.03Å
124	D	77.5	Confident	79	Confident	84 Å²	84	48.3 Å²	48.3	45%	0.449	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	11.8	176.8	-63	42.6	0	0	0	113.4	K69 C122 T126	K69-D124 VanDerWaalsContact CE-OD1 3.25Å; K69-D124 WeakPolarHBondContact CE-OD1 3.2Å; K69-D124 IonicContact NZ-OD1 2.66Å; K69-D124 PolarHBondContact NZ-OD1 2.77Å; K69-D124 IonicContact NZ-OD2 2.64Å; K69-D124 PolarHBondContact NZ-OD2 3.27Å; C122-D124 VanDerWaalsContact C-N 3.3Å; C122-D124 PolarHBondContact O-N 3.36Å; D124-T126 WeakPolarHBondContact CB-OG1 3.38Å; D124-T126 WeakPolarHBondContact O-CG2 3.06Å; D124-T126 PolarHBondContact O-N 3.5Å; D124-T126 PolarHBondContact O-OG1 2.77Å
125	G	69.2	Low	79.5	Confident	34 Å²	34	47.6 Å²	47.6	35%	0.351	28%	0.28	S	S	.	.	S	Bend	trans	62.3	8.6	-175.1	0	0	0	0	0	115.1	C122 M123 C134	C122-G125 PolarHBondContact O-N 2.93Å; M123-G125 PolarHBondContact O-N 2.03Å; G125-C134 WeakPolarHBondContact O-CB 3.4Å; G125-C134 PolarHBondContact O-SG 3.3Å; G125-C134 VanDerWaalsContact O-SG 3.37Å
126	T	72.9	Confident	79.8	Confident	101 Å²	101	55.1 Å²	55.1	62%	0.62	30%	0.303	S	S	*	.	S	Bend	trans	-143.8	-41.1	-163.5	48.5	0	0	0	0	114.4	D124 C128	D124-T126 WeakPolarHBondContact CB-OG1 3.38Å; D124-T126 WeakPolarHBondContact O-CG2 3.06Å; D124-T126 PolarHBondContact O-N 3.5Å; D124-T126 PolarHBondContact O-OG1 2.77Å; T126-C128 PolarHBondContact O-N 3.16Å
127	T	79.4	Confident	80	Confident	57 Å²	57	60.2 Å²	60.2	35%	0.35	32%	0.317	S	S	.	.			trans	-86.6	108.4	-170.6	-55.3	0	0	0	0	111.6	Y68 C122	Y68-T127 HydrophobicContact CD1-CG2 3.88Å; Y68-T127 HydrophobicContact CE1-CG2 3.95Å; C122-T127 WeakPolarHBondContact CB-O 3.29Å
128	C	82.5	Confident	80.3	Confident	24 Å²	24	62.3 Å²	62.3	16%	0.162	33%	0.33	C	S	.	.			trans	-128.9	159.5	171.7	-71.2	0	0	0	0	110.8	C122 T126 C140	C122-C128 VanDerWaalsContact SG-SG 3.67Å; T126-C128 PolarHBondContact O-N 3.16Å; C128-C140 VanDerWaalsContact CA-SG 3.5Å; C128-C140 HydrophobicContact CB-CB 3.84Å; C128-C140 WeakPolarHBondContact CB-SG 3.33Å; C128-C140 WeakPolarHBondContact SG-CA 3.24Å; C128-C140 WeakPolarHBondContact SG-CB 3.49Å; C128-C140 CovalentContact SG-SG 2.04Å; C128-C140 PolarHBondContact SG-SG 3.39Å
129	P	72.1	Confident	80.4	Confident	14 Å²	14	63.6 Å²	63.6	9%	0.091	34%	0.336	C	S	.	.			trans	-64.8	157.9	170.4	27.5	-34.7	0	0	0	112.2	Y68 I119 G131 Y132	Y68-P129 HydrophobicContact CD2-CG 4.3Å; Y68-P129 HydrophobicContact CE2-CB 3.76Å; Y68-P129 HydrophobicContact CE2-CG 4.03Å; I119-P129 HydrophobicContact CD1-CG 3.6Å; P129-G131 PolarHBondContact O-N 2.02Å; P129-Y132 HydrophobicContact CG-CD2 3.98Å; P129-Y132 HydrophobicContact CG-CG 4.38Å; P129-Y132 WeakPolarHBondContact O-CB 3.26Å; P129-Y132 PolarHBondContact O-N 2.9Å; P129-Y132 VanDerWaalsContact O-N 3.12Å
130	N	65	Low	80.7	Confident	116 Å²	116	60.9 Å²	60.9	62%	0.62	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	131.6	-174.9	-74.8	-59.2	0	0	0	113.1	N177	N130-N177 PolarHBondContact O-ND2 3.3Å
131	G	71.4	Confident	81	Confident	14 Å²	14	60.9 Å²	60.9	14%	0.144	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	91.7	-3.8	-177.2	0	0	0	0	0	114.2	P129 V143 L169	P129-G131 PolarHBondContact O-N 2.02Å; G131-V143 VanDerWaalsContact O-CB 3.26Å; G131-V143 WeakPolarHBondContact O-CB 3.46Å; G131-V143 VanDerWaalsContact O-CG2 3.24Å; G131-V143 WeakPolarHBondContact O-CG2 3.21Å; G131-V143 PolarHBondContact O-N 3.15Å; G131-L169 WeakPolarHBondContact O-CD1 3.34Å
132	Y	80.8	Confident	80.8	Confident	30 Å²	30	57.5 Å²	57.5	12%	0.118	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	148.7	173.6	-63.5	-102.4	0	0	0	110.4	I119 P129 C141 P142 L169 T170	I119-Y132 HydrophobicContact CB-CE1 4.19Å; I119-Y132 HydrophobicContact CD1-CD1 3.71Å; I119-Y132 HydrophobicContact CD1-CD2 3.83Å; I119-Y132 HydrophobicContact CD1-CE1 3.44Å; I119-Y132 VanDerWaalsContact CD1-CE1 3.44Å; I119-Y132 HydrophobicContact CD1-CE2 3.58Å; I119-Y132 HydrophobicContact CD1-CG 3.91Å; I119-Y132 HydrophobicContact CG1-CD1 3.64Å; I119-Y132 HydrophobicContact CG1-CE1 3.48Å; I119-Y132 VanDerWaalsContact CG1-CE1 3.48Å; I119-Y132 HydrophobicContact CG1-CG 4.25Å; I119-Y132 HydrophobicContact CG2-CE1 3.65Å; P129-Y132 HydrophobicContact CG-CD2 3.98Å; P129-Y132 HydrophobicContact CG-CG 4.38Å; P129-Y132 WeakPolarHBondContact O-CB 3.26Å; P129-Y132 PolarHBondContact O-N 2.9Å; P129-Y132 VanDerWaalsContact O-N 3.12Å; Y132-C141 CarbonylContact C-O 3.53Å; Y132-C141 WeakPolarHBondContact CA-O 3.18Å; Y132-C141 VanDerWaalsContact CD1-C 3.5Å; Y132-P142 HydrophobicContact CD1-CB 4.41Å; Y132-P142 HydrophobicContact CD1-CG 4.13Å; Y132-P142 HydrophobicContact CE1-CB 4.18Å; Y132-P142 HydrophobicContact CE1-CG 3.69Å; Y132-L169 HydrophobicContact CD2-CD1 4.29Å; Y132-L169 HydrophobicContact CE2-CB 3.82Å; Y132-L169 HydrophobicContact CE2-CD1 3.98Å; Y132-L169 HydrophobicContact CE2-CG 4.38Å; Y132-L169 VanDerWaalsContact OH-CB 3.23Å; Y132-L169 WeakPolarHBondContact OH-CB 2.94Å; Y132-T170 PolarHBondContact OH-N 3.14Å
133	E	84.4	Confident	80.5	Confident	74 Å²	74	58.4 Å²	58.4	35%	0.346	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	140.6	172.7	60.9	-170	161.1	0	0	111.1	C141 V143 K147	E133-C141 PolarHBondContact N-O 2.93Å; E133-C141 PolarHBondContact O-N 2.91Å; E133-V143 HydrophobicContact CB-CG2 3.86Å; E133-V143 HydrophobicContact CG-CG2 3.8Å; E133-K147 IonicContact OE1-NZ 2.84Å; E133-K147 PolarHBondContact OE1-NZ 2.95Å; E133-K147 IonicContact OE2-NZ 2.68Å; E133-K147 PolarHBondContact OE2-NZ 2.79Å
134	C	88.6	Confident	80.3	Confident	32 Å²	32	53.8 Å²	53.8	22%	0.216	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	126.3	175.7	-166.7	0	0	0	0	109	C122 G125	C122-C134 HydrophobicContact CB-CB 3.85Å; C122-C134 WeakPolarHBondContact CB-SG 3.37Å; C122-C134 VanDerWaalsContact SG-CA 3.54Å; C122-C134 WeakPolarHBondContact SG-CB 3.49Å; C122-C134 CovalentContact SG-SG 2.03Å; C122-C134 PolarHBondContact SG-SG 3.41Å; G125-C134 WeakPolarHBondContact O-CB 3.4Å; G125-C134 PolarHBondContact O-SG 3.3Å; G125-C134 VanDerWaalsContact O-SG 3.37Å
135	N	88	Confident	79.4	Confident	42 Å²	42	53.5 Å²	53.5	23%	0.225	28%	0.282	C	S	.	.			trans	-93.4	173.1	175.6	73.8	13.5	0	0	0	112	R137 N138 H139 C141	N135-R137 PolarHBondContact O-N 3.18Å; N135-R137 WeakPolarHBondContact OD1-CA 3.17Å; N135-R137 WeakPolarHBondContact OD1-CB 3.46Å; N135-R137 PolarHBondContact OD1-N 3.25Å; N135-N138 PolarHBondContact O-N 3.29Å; N135-N138 PolarHBondContact OD1-N 2.9Å; N135-H139 PolarHBondContact N-O 3.12Å; N135-H139 PolarHBondContact OD1-N 2.88Å; N135-H139 PolarHBondContact OD1-O 3.33Å; N135-C141 PolarHBondContact ND2-SG 3.09Å
136	E	86.6	Confident	78.8	Confident	202 Å²	202	59.8 Å²	59.8	94%	0.944	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-10.3	177.9	-59.8	172.1	169.6	0	0	114.9
137	R	86.9	Confident	78.1	Confident	143 Å²	143	60.1 Å²	60.1	54%	0.54	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102	11.3	176.4	-56.4	-178.3	-176.7	153.5	4.1	112.5	N135 H139	N135-R137 PolarHBondContact O-N 3.18Å; N135-R137 WeakPolarHBondContact OD1-CA 3.17Å; N135-R137 WeakPolarHBondContact OD1-CB 3.46Å; N135-R137 PolarHBondContact OD1-N 3.25Å; R137-H139 PolarHBondContact O-CD2 3.01Å; R137-H139 PolarHBondContact O-N 2.93Å
138	N	88.5	Confident	77	Confident	71 Å²	71	59.6 Å²	59.6	38%	0.38	28%	0.283	S	S	.	.	S	Bend	trans	57.8	31.4	-173.8	-58.2	-37.4	0	0	0	113.7	M121 C122 N135	M121-N138 CarbonylContact C-O 3.52Å; M121-N138 VanDerWaalsContact CA-O 3.3Å; M121-N138 WeakPolarHBondContact CA-O 3.23Å; C122-N138 PolarHBondContact N-O 3.43Å; C122-N138 PolarHBondContact SG-O 3Å; N135-N138 PolarHBondContact O-N 3.29Å; N135-N138 PolarHBondContact OD1-N 2.9Å
139	H	89.3	Confident	75.6	Confident	33 Å²	33	67.2 Å²	67.2	15%	0.153	31%	0.309	C	S	.	.	B	Isolated β-bridge	trans	-102.8	135.9	172.3	-60	-176	0	0	0	111	P118 C122 N135 R137 C141	P118-H139 HydrophobicContact CB-CB 3.79Å; P118-H139 HydrophobicContact CG-CB 4.35Å; C122-H139 VanDerWaalsContact SG-C 3.59Å; N135-H139 PolarHBondContact N-O 3.12Å; N135-H139 PolarHBondContact OD1-N 2.88Å; N135-H139 PolarHBondContact OD1-O 3.33Å; R137-H139 PolarHBondContact O-CD2 3.01Å; R137-H139 PolarHBondContact O-N 2.93Å; H139-C141 PolarHBondContact O-N 2.93Å
140	C	86.9	Confident	75.1	Confident	0 Å²	0	73.1 Å²	73.1	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	104.4	170.2	-66.3	0	0	0	0	110.5	P118 I119 A120 C128	P118-C140 WeakPolarHBondContact CA-O 3.02Å; I119-C140 HydrophobicContact CG1-CB 4.27Å; I119-C140 PolarHBondContact N-O 3.47Å; A120-C140 HydrophobicContact CB-CB 4.28Å; A120-C140 PolarHBondContact O-N 2.99Å; C128-C140 VanDerWaalsContact CA-SG 3.5Å; C128-C140 HydrophobicContact CB-CB 3.84Å; C128-C140 WeakPolarHBondContact CB-SG 3.33Å; C128-C140 WeakPolarHBondContact SG-CA 3.24Å; C128-C140 WeakPolarHBondContact SG-CB 3.49Å; C128-C140 CovalentContact SG-SG 2.04Å; C128-C140 PolarHBondContact SG-SG 3.39Å
141	C	87.4	Confident	75.1	Confident	7 Å²	7	68.7 Å²	68.7	5%	0.047	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	141.9	-177.3	-79.8	0	0	0	0	112.1	C112 Y132 E133 N135 H139 V143	C112-C141 HydrophobicContact CB-CB 3.74Å; C112-C141 WeakPolarHBondContact CB-SG 3.26Å; C112-C141 WeakPolarHBondContact SG-CA 3.32Å; C112-C141 WeakPolarHBondContact SG-CB 3.4Å; C112-C141 CovalentContact SG-SG 2.03Å; C112-C141 PolarHBondContact SG-SG 2.57Å; Y132-C141 CarbonylContact C-O 3.53Å; Y132-C141 WeakPolarHBondContact CA-O 3.18Å; Y132-C141 VanDerWaalsContact CD1-C 3.5Å; E133-C141 PolarHBondContact N-O 2.93Å; E133-C141 PolarHBondContact O-N 2.91Å; N135-C141 PolarHBondContact ND2-SG 3.09Å; H139-C141 PolarHBondContact O-N 2.93Å; C141-V143 PolarHBondContact O-N 3.29Å
142	P	79.8	Confident	75	Confident	10 Å²	10	77.1 Å²	77.1	7%	0.065	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.8	124.8	174.7	-22.7	31.2	0	0	0	111.4	W117 Y132 L169	W117-P142 WeakPolarHBondContact O-CD 2.93Å; Y132-P142 HydrophobicContact CD1-CB 4.41Å; Y132-P142 HydrophobicContact CD1-CG 4.13Å; Y132-P142 HydrophobicContact CE1-CB 4.18Å; Y132-P142 HydrophobicContact CE1-CG 3.69Å; P142-L169 HydrophobicContact CB-CD1 4.41Å
143	V	79.4	Confident	74.5	Confident	19 Å²	19	77.4 Å²	77.4	12%	0.115	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-64.1	132.4	173.9	175.1	0	0	0	0	108.3	G131 E133 C141 K147 L148	G131-V143 VanDerWaalsContact O-CB 3.26Å; G131-V143 WeakPolarHBondContact O-CB 3.46Å; G131-V143 VanDerWaalsContact O-CG2 3.24Å; G131-V143 WeakPolarHBondContact O-CG2 3.21Å; G131-V143 PolarHBondContact O-N 3.15Å; E133-V143 HydrophobicContact CB-CG2 3.86Å; E133-V143 HydrophobicContact CG-CG2 3.8Å; C141-V143 PolarHBondContact O-N 3.29Å; V143-K147 HydrophobicContact CG1-CB 3.76Å; V143-K147 HydrophobicContact CG1-CD 3.79Å; V143-K147 HydrophobicContact CG1-CG 3.63Å; V143-L148 HydrophobicContact CB-CD1 4.28Å; V143-L148 HydrophobicContact CB-CD2 3.88Å; V143-L148 HydrophobicContact CB-CG 3.94Å; V143-L148 HydrophobicContact CG1-CD2 3.86Å; V143-L148 HydrophobicContact CG1-CG 3.83Å; V143-L148 VanDerWaalsContact O-CD1 3.29Å; V143-L148 WeakPolarHBondContact O-CD1 3.48Å
144	P	69.1	Low	74	Confident	23 Å²	23	79.4 Å²	79.4	15%	0.149	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-52.3	142	-176.9	-27.9	31.6	0	0	0	113.7	T114 W146 K147 L148	T114-P144 HydrophobicContact CG2-CG 3.85Å; P144-W146 HydrophobicContact CB-CD2 4.09Å; P144-W146 HydrophobicContact CB-CG 4.18Å; P144-W146 HydrophobicContact CB-CZ2 4.01Å; P144-W146 VanDerWaalsContact CB-NE1 3.34Å; P144-W146 HydrophobicContact CG-CZ2 4.02Å; P144-W146 PolarHBondContact O-N 3.47Å; P144-K147 HydrophobicContact CB-CB 4.4Å; P144-K147 WeakPolarHBondContact O-CA 3Å; P144-K147 WeakPolarHBondContact O-CB 3.39Å; P144-K147 PolarHBondContact O-N 2.98Å; P144-L148 PolarHBondContact O-N 3.46Å; P144-L148 VanDerWaalsContact O-N 3.14Å
145	R	59.2	Low	73.3	Confident	77 Å²	77	80.1 Å²	80.1	29%	0.291	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-15.4	-177.1	-153.4	170.7	177.6	-122.7	-65.1	113.9	Y185	R145-Y185 VanDerWaalsContact CD-CZ 3.49Å; R145-Y185 HydrophobicContact CG-CD1 4.35Å; R145-Y185 HydrophobicContact CG-CE1 3.44Å; R145-Y185 VanDerWaalsContact CG-CE1 3.44Å; R145-Y185 PolarHBondContact NH2-OH 3.22Å
146	W	56.4	Low	73.1	Confident	167 Å²	167	80.5 Å²	80.5	63%	0.633	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-9.1	171.1	61.8	-104.6	0	0	0	115.1	P144 R149	P144-W146 HydrophobicContact CB-CD2 4.09Å; P144-W146 HydrophobicContact CB-CG 4.18Å; P144-W146 HydrophobicContact CB-CZ2 4.01Å; P144-W146 VanDerWaalsContact CB-NE1 3.34Å; P144-W146 HydrophobicContact CG-CZ2 4.02Å; P144-W146 PolarHBondContact O-N 3.47Å; W146-R149 WeakPolarHBondContact O-CG 3.4Å; W146-R149 PolarHBondContact O-NE 3.47Å
147	K	58.1	Low	72.9	Confident	107 Å²	107	73.9 Å²	73.9	47%	0.465	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	-23	175.9	-177	170.1	163.6	-169.5	0	111.3	E133 V143 P144 R149	E133-K147 IonicContact OE1-NZ 2.84Å; E133-K147 PolarHBondContact OE1-NZ 2.95Å; E133-K147 IonicContact OE2-NZ 2.68Å; E133-K147 PolarHBondContact OE2-NZ 2.79Å; V143-K147 HydrophobicContact CG1-CB 3.76Å; V143-K147 HydrophobicContact CG1-CD 3.79Å; V143-K147 HydrophobicContact CG1-CG 3.63Å; P144-K147 HydrophobicContact CB-CB 4.4Å; P144-K147 WeakPolarHBondContact O-CA 3Å; P144-K147 WeakPolarHBondContact O-CB 3.39Å; P144-K147 PolarHBondContact O-N 2.98Å; K147-R149 VanDerWaalsContact C-N 3.29Å; K147-R149 PolarHBondContact O-N 3.09Å
148	L	57.7	Low	72.8	Confident	47 Å²	47	72.4 Å²	72.4	25%	0.246	34%	0.341	C	S	.	.	S	Bend	trans	-82.7	20	168.6	-64.6	175	0	0	0	114.7	V143 P144 I150 L169	V143-L148 HydrophobicContact CB-CD1 4.28Å; V143-L148 HydrophobicContact CB-CD2 3.88Å; V143-L148 HydrophobicContact CB-CG 3.94Å; V143-L148 HydrophobicContact CG1-CD2 3.86Å; V143-L148 HydrophobicContact CG1-CG 3.83Å; V143-L148 VanDerWaalsContact O-CD1 3.29Å; V143-L148 WeakPolarHBondContact O-CD1 3.48Å; P144-L148 PolarHBondContact O-N 3.46Å; P144-L148 VanDerWaalsContact O-N 3.14Å; L148-I150 PolarHBondContact O-N 3.01Å; L148-L169 HydrophobicContact CD1-CD1 3.89Å; L148-L169 HydrophobicContact CD1-CG 4.48Å
149	R	52.4	Low	72.6	Confident	184 Å²	184	73.4 Å²	73.4	69%	0.694	34%	0.344	S	S	*	.			trans	-59.3	122.8	-171	-72.5	-179.1	-150.2	-146.7	6.2	111.9	W146 K147	W146-R149 WeakPolarHBondContact O-CG 3.4Å; W146-R149 PolarHBondContact O-NE 3.47Å; K147-R149 VanDerWaalsContact C-N 3.29Å; K147-R149 PolarHBondContact O-N 3.09Å
150	I	60.9	Low	72.3	Confident	138 Å²	138	72.1 Å²	72.1	71%	0.708	34%	0.338	S	S	*	.			trans	66.2	98.2	173.9	-47.8	169.7	0	0	0	113.5	L148 R152	L148-I150 PolarHBondContact O-N 3.01Å; I150-R152 PolarHBondContact O-N 3.49Å
151	C	66.2	Low	72.1	Confident	22 Å²	22	77.3 Å²	77.3	15%	0.149	36%	0.363	C	S	.	.			trans	-75.3	117	157.3	-60.1	0	0	0	0	108.7	V153 C179	C151-V153 VanDerWaalsContact C-N 3.32Å; C151-V153 HydrophobicContact CB-CG1 4.45Å; C151-V153 PolarHBondContact O-N 3.25Å; C151-C179 HydrophobicContact CB-CB 3.54Å; C151-C179 WeakPolarHBondContact CB-SG 3.29Å; C151-C179 WeakPolarHBondContact SG-CB 3.36Å; C151-C179 CovalentContact SG-SG 2.02Å; C151-C179 PolarHBondContact SG-SG 3.46Å
152	R	68.3	Low	72.1	Confident	192 Å²	192	84.5 Å²	84.5	73%	0.725	40%	0.395	S	S	*	.			trans	-77.9	83.7	176.7	-164.1	176.4	-165	167	7.5	111.2	I150	I150-R152 PolarHBondContact O-N 3.49Å
153	V	71.3	Confident	72.4	Confident	35 Å²	35	85.4 Å²	85.4	21%	0.212	40%	0.4	C	S	.	.	B	Isolated β-bridge	trans	-74.2	165.1	174	-64.4	0	0	0	0	112.4	C151 L160 V188	C151-V153 VanDerWaalsContact C-N 3.32Å; C151-V153 HydrophobicContact CB-CG1 4.45Å; C151-V153 PolarHBondContact O-N 3.25Å; V153-L160 HydrophobicContact CG2-CD1 4.18Å; V153-L160 HydrophobicContact CG2-CD2 4.18Å; V153-V188 HydrophobicContact CG1-CB 4.38Å; V153-V188 HydrophobicContact CG1-CG1 3.46Å; V153-V188 VanDerWaalsContact CG1-CG1 3.46Å; V153-V188 HydrophobicContact CG1-CG2 4Å
154	N	73.5	Confident	72.8	Confident	116 Å²	116	90.2 Å²	90.2	62%	0.62	42%	0.421	S	S	*	.			trans	-129	63.6	167.1	-165.3	104.7	0	0	0	109.2	A192	N154-A192 PolarHBondContact N-O 3.05Å
155	M	74	Confident	73.6	Confident	47 Å²	47	96.7 Å²	96.7	23%	0.232	45%	0.446	C	S	.	.			trans	-133.4	147.1	-178.9	-63.4	174	69.3	0	0	108.4	E159 L160 L163 A192	M155-E159 HydrophobicContact CB-CB 4.18Å; M155-E159 HydrophobicContact CE-CB 3.76Å; M155-L160 HydrophobicContact CB-CD1 4.44Å; M155-L160 HydrophobicContact CB-CD2 3.89Å; M155-L160 HydrophobicContact CB-CG 3.89Å; M155-L160 HydrophobicContact CE-CD2 4.32Å; M155-L160 HydrophobicContact SD-CD2 3.98Å; M155-L163 HydrophobicContact CE-CD1 3.8Å; M155-L163 HydrophobicContact CE-CD2 4.17Å; M155-L163 HydrophobicContact CE-CG 4.1Å; M155-L163 HydrophobicContact SD-CD1 4.17Å; M155-A192 HydrophobicContact CG-CB 4.47Å; M155-A192 HydrophobicContact SD-CB 3.93Å
156	S	82.7	Confident	74.5	Confident	51 Å²	51	93.2 Å²	93.2	36%	0.357	43%	0.434	S	S	.	.			trans	-68.4	163.2	170.6	62.1	0	0	0	0	111.7	D158 E159 L160	S156-D158 PolarHBondContact O-N 2.84Å; S156-E159 VanDerWaalsContact CB-OE2 3.29Å; S156-E159 WeakPolarHBondContact CB-OE2 3.36Å; S156-E159 PolarHBondContact N-OE2 3.43Å; S156-E159 PolarHBondContact O-N 2.86Å; S156-E159 VanDerWaalsContact OG-CG 3.29Å; S156-E159 WeakPolarHBondContact OG-CG 3.45Å; S156-E159 PolarHBondContact OG-N 3.48Å; S156-E159 PolarHBondContact OG-OE2 2.96Å; S156-L160 WeakPolarHBondContact O-CD1 3.36Å; S156-L160 WeakPolarHBondContact O-CG 3.43Å; S156-L160 PolarHBondContact O-N 3.41Å
157	N	82.4	Confident	75.2	Confident	62 Å²	62	92.8 Å²	92.8	33%	0.332	44%	0.439	S	S	.	.	H	α-helix	trans	-59.7	-38.1	175.5	-174.1	73.1	0	0	0	111.7	E159 L160 E161 A183	N157-E159 PolarHBondContact O-N 3.18Å; N157-L160 CarbonylContact O-C 3.54Å; N157-L160 WeakPolarHBondContact O-CB 3.47Å; N157-L160 PolarHBondContact O-N 3.29Å; N157-L160 VanDerWaalsContact O-N 3.12Å; N157-E161 PolarHBondContact ND2-OE1 2.83Å; N157-E161 WeakPolarHBondContact O-CG 3.33Å; N157-E161 PolarHBondContact O-N 2.93Å; N157-A183 PolarHBondContact OD1-N 2.68Å
158	D	85.2	Confident	75.5	Confident	112 Å²	112	89 Å²	89	60%	0.599	43%	0.426	S	S	*	.	H	α-helix	trans	-66.7	-36.5	-178.7	-47.8	-26.5	0	0	0	112.2	S156 Q162	S156-D158 PolarHBondContact O-N 2.84Å; D158-Q162 WeakPolarHBondContact O-CG 3Å; D158-Q162 PolarHBondContact O-N 2.74Å; D158-Q162 PolarHBondContact O-NE2 3.17Å
159	E	85.4	Confident	75.7	Confident	92 Å²	92	87.5 Å²	87.5	43%	0.43	42%	0.418	S	S	.	.	H	α-helix	trans	-68.9	-38.8	170.7	-71.1	165.3	103.5	0	0	111.6	M155 S156 N157 E161 Q162	M155-E159 HydrophobicContact CB-CB 4.18Å; M155-E159 HydrophobicContact CE-CB 3.76Å; S156-E159 VanDerWaalsContact CB-OE2 3.29Å; S156-E159 WeakPolarHBondContact CB-OE2 3.36Å; S156-E159 PolarHBondContact N-OE2 3.43Å; S156-E159 PolarHBondContact O-N 2.86Å; S156-E159 VanDerWaalsContact OG-CG 3.29Å; S156-E159 WeakPolarHBondContact OG-CG 3.45Å; S156-E159 PolarHBondContact OG-N 3.48Å; S156-E159 PolarHBondContact OG-OE2 2.96Å; N157-E159 PolarHBondContact O-N 3.18Å; E159-E161 VanDerWaalsContact C-N 3.3Å; E159-E161 PolarHBondContact O-N 3.07Å; E159-Q162 PolarHBondContact O-N 3.49Å
160	L	81.9	Confident	76.2	Confident	7 Å²	7	81.7 Å²	81.7	4%	0.037	40%	0.403	C	S	.	.	H	α-helix	trans	-69.1	-29.1	177.3	-65.6	166.7	0	0	0	112.1	V153 M155 S156 N157 Q162 L163 T181 A183 R186	V153-L160 HydrophobicContact CG2-CD1 4.18Å; V153-L160 HydrophobicContact CG2-CD2 4.18Å; M155-L160 HydrophobicContact CB-CD1 4.44Å; M155-L160 HydrophobicContact CB-CD2 3.89Å; M155-L160 HydrophobicContact CB-CG 3.89Å; M155-L160 HydrophobicContact CE-CD2 4.32Å; M155-L160 HydrophobicContact SD-CD2 3.98Å; S156-L160 WeakPolarHBondContact O-CD1 3.36Å; S156-L160 WeakPolarHBondContact O-CG 3.43Å; S156-L160 PolarHBondContact O-N 3.41Å; N157-L160 CarbonylContact O-C 3.54Å; N157-L160 WeakPolarHBondContact O-CB 3.47Å; N157-L160 PolarHBondContact O-N 3.29Å; N157-L160 VanDerWaalsContact O-N 3.12Å; L160-Q162 VanDerWaalsContact C-N 3.32Å; L160-L163 HydrophobicContact CD2-CD1 3.84Å; L160-L163 PolarHBondContact O-N 2.68Å; L160-T181 HydrophobicContact CD2-CG2 4.06Å; L160-A183 HydrophobicContact CB-CB 3.75Å; L160-R186 WeakPolarHBondContact O-CD 3.48Å; L160-R186 WeakPolarHBondContact O-CG 3.28Å; L160-R186 PolarHBondContact O-NE 3.37Å
161	E	84	Confident	76.5	Confident	109 Å²	109	79.4 Å²	79.4	51%	0.509	39%	0.389	S	S	.	.	H	α-helix	trans	-72.5	-22.2	174.7	-79.5	-170	-155.7	0	0	113.9	N157 E159 A183 R186	N157-E161 PolarHBondContact ND2-OE1 2.83Å; N157-E161 WeakPolarHBondContact O-CG 3.33Å; N157-E161 PolarHBondContact O-N 2.93Å; E159-E161 VanDerWaalsContact C-N 3.3Å; E159-E161 PolarHBondContact O-N 3.07Å; E161-A183 HydrophobicContact CB-CB 4.48Å; E161-A183 HydrophobicContact CG-CB 3.58Å; E161-R186 PolarHBondContact O-NH1 3.04Å
162	Q	87.3	Confident	77	Confident	158 Å²	158	78.8 Å²	78.8	74%	0.738	39%	0.385	S	S	*	.	H	α-helix	trans	-81.2	-21.5	174.8	-69.9	166.7	58.1	0	0	113.4	D158 E159 L160	D158-Q162 WeakPolarHBondContact O-CG 3Å; D158-Q162 PolarHBondContact O-N 2.74Å; D158-Q162 PolarHBondContact O-NE2 3.17Å; E159-Q162 PolarHBondContact O-N 3.49Å; L160-Q162 VanDerWaalsContact C-N 3.32Å
163	L	85.9	Confident	77.4	Confident	29 Å²	29	74.8 Å²	74.8	15%	0.152	37%	0.37	C	S	.	.	S	Bend	trans	-66.7	148	179.6	-66.6	175	0	0	0	112.6	M155 L160 K165 R186 C187 V188	M155-L163 HydrophobicContact CE-CD1 3.8Å; M155-L163 HydrophobicContact CE-CD2 4.17Å; M155-L163 HydrophobicContact CE-CG 4.1Å; M155-L163 HydrophobicContact SD-CD1 4.17Å; L160-L163 HydrophobicContact CD2-CD1 3.84Å; L160-L163 PolarHBondContact O-N 2.68Å; L163-K165 PolarHBondContact O-N 2.94Å; L163-R186 HydrophobicContact CB-CB 4Å; L163-R186 HydrophobicContact CB-CG 4.42Å; L163-R186 HydrophobicContact CD1-CB 4.23Å; L163-R186 WeakPolarHBondContact O-CD 2.97Å; L163-R186 PolarHBondContact O-NH1 3.39Å; L163-C187 WeakPolarHBondContact CD1-O 3.38Å; L163-C187 WeakPolarHBondContact CD2-O 3.48Å; L163-V188 HydrophobicContact CD1-CG2 3.87Å
164	H	86.6	Confident	77.1	Confident	120 Å²	120	78 Å²	78	56%	0.556	39%	0.385	S	S	*	.	P	Polyproline II helix	trans	-55	133.6	175.1	-70.7	-92.5	0	0	0	111.4	R186 C187	H164-R186 CarbonylContact O-C 3.59Å; H164-R186 WeakPolarHBondContact O-CA 3.07Å; H164-C187 HydrophobicContact CB-CB 4.22Å; H164-C187 PolarHBondContact O-N 2.8Å
165	K	86.6	Confident	76.9	Confident	158 Å²	158	74.4 Å²	74.4	69%	0.687	38%	0.375	S	S	*	.	B	Isolated β-bridge	trans	-73.6	141.8	173.6	-69.4	179.6	-179.1	175.5	0	110	L163 Y185	L163-K165 PolarHBondContact O-N 2.94Å; K165-Y185 WeakPolarHBondContact CA-O 3.02Å
166	C	77.6	Confident	77	Confident	4 Å²	4	74.2 Å²	74.2	3%	0.027	37%	0.374	C	S	.	.			trans	-135.7	151.6	-179.2	62.9	0	0	0	0	111.8	H171 C178 Y185 R186	C166-H171 HydrophobicContact CB-CB 4.06Å; C166-C178 HydrophobicContact CB-CB 3.76Å; C166-C178 WeakPolarHBondContact CB-SG 3.48Å; C166-C178 WeakPolarHBondContact SG-CA 3.04Å; C166-C178 WeakPolarHBondContact SG-CB 3.46Å; C166-C178 CovalentContact SG-SG 2.03Å; C166-C178 PolarHBondContact SG-SG 2.95Å; C166-Y185 PolarHBondContact N-O 3.49Å; C166-Y185 WeakPolarHBondContact O-CB 3.42Å; C166-R186 PolarHBondContact SG-N 3.28Å
167	E	72.1	Confident	76.5	Confident	159 Å²	159	72.1 Å²	72.1	74%	0.743	36%	0.359	S	S	*	.	S	Bend	trans	-119.7	-37.9	171.1	-60.1	-170	156.3	0	0	110.6
168	S	64.6	Low	76.2	Confident	27 Å²	27	69.7 Å²	69.7	19%	0.189	35%	0.347	C	S	.	.	S	Bend	trans	-109.6	159.4	167.1	176.1	0	0	0	0	111.1	T170 H171	S168-T170 VanDerWaalsContact CB-OG1 3.28Å; S168-T170 WeakPolarHBondContact CB-OG1 3.17Å; S168-T170 PolarHBondContact O-N 2.98Å; S168-T170 PolarHBondContact OG-N 2.79Å; S168-T170 VanDerWaalsContact OG-N 3.16Å; S168-T170 PolarHBondContact OG-OG1 3.4Å; S168-H171 PolarHBondContact O-N 2.81Å
169	L	61.5	Low	75.8	Confident	16 Å²	16	64.4 Å²	64.4	8%	0.084	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-61.2	-22.5	167.2	-80.6	160.7	0	0	0	112.9	G131 Y132 P142 L148 H171 C172 N177 C178	G131-L169 WeakPolarHBondContact O-CD1 3.34Å; Y132-L169 HydrophobicContact CD2-CD1 4.29Å; Y132-L169 HydrophobicContact CE2-CB 3.82Å; Y132-L169 HydrophobicContact CE2-CD1 3.98Å; Y132-L169 HydrophobicContact CE2-CG 4.38Å; Y132-L169 VanDerWaalsContact OH-CB 3.23Å; Y132-L169 WeakPolarHBondContact OH-CB 2.94Å; P142-L169 HydrophobicContact CB-CD1 4.41Å; L148-L169 HydrophobicContact CD1-CD1 3.89Å; L148-L169 HydrophobicContact CD1-CG 4.48Å; L169-H171 PolarHBondContact O-N 2.03Å; L169-C172 PolarHBondContact O-N 3.24Å; L169-N177 HydrophobicContact CD2-CB 4.45Å; L169-C178 HydrophobicContact CD2-CB 3.99Å; L169-C178 VanDerWaalsContact CD2-N 3.28Å; L169-C178 HydrophobicContact CG-CB 4.21Å
170	T	61.6	Low	75.5	Confident	61 Å²	61	64.8 Å²	64.8	37%	0.374	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-71.6	-7.2	177.5	53.1	0	0	0	0	114.1	I119 Y132 S168	I119-T170 HydrophobicContact CG2-CG2 3.67Å; Y132-T170 PolarHBondContact OH-N 3.14Å; S168-T170 VanDerWaalsContact CB-OG1 3.28Å; S168-T170 WeakPolarHBondContact CB-OG1 3.17Å; S168-T170 PolarHBondContact O-N 2.98Å; S168-T170 PolarHBondContact OG-N 2.79Å; S168-T170 VanDerWaalsContact OG-N 3.16Å; S168-T170 PolarHBondContact OG-OG1 3.4Å
171	H	68.9	Low	75.1	Confident	91 Å²	91	64.9 Å²	64.9	42%	0.421	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-89	-8	176.9	-62.9	-158.1	0	0	0	112.3	C166 S168 L169	C166-H171 HydrophobicContact CB-CB 4.06Å; S168-H171 PolarHBondContact O-N 2.81Å; L169-H171 PolarHBondContact O-N 2.03Å
172	C	76.5	Confident	74.7	Confident	9 Å²	9	67 Å²	67	6%	0.061	34%	0.336	C	S	.	.	S	Bend	trans	-106.8	154.5	-176.3	-53.7	0	0	0	0	111.2	L169 E176 C187	L169-C172 PolarHBondContact O-N 3.24Å; C172-E176 HydrophobicContact CB-CB 3.84Å; C172-C187 WeakPolarHBondContact CA-SG 3.48Å; C172-C187 HydrophobicContact CB-CB 3.64Å; C172-C187 WeakPolarHBondContact CB-SG 3.18Å; C172-C187 WeakPolarHBondContact SG-CA 3.45Å; C172-C187 WeakPolarHBondContact SG-CB 3.3Å; C172-C187 CovalentContact SG-SG 2.04Å; C172-C187 PolarHBondContact SG-SG 2.85Å
173	R	76.1	Confident	74.3	Confident	108 Å²	108	60.2 Å²	60.2	41%	0.408	31%	0.307	S	S	.	.			trans	-72.9	162.3	178.9	-72.1	-173.9	174.2	131.2	-0.1	111.5	D79 E82 G175 E176	D79-R173 IonicContact OD2-CZ 2.66Å; D79-R173 IonicContact OD2-NE 3.2Å; D79-R173 PolarHBondContact OD2-NE 3.28Å; D79-R173 VanDerWaalsContact OD2-NE 3.14Å; D79-R173 IonicContact OD2-NH2 3.98Å; E82-R173 IonicContact OE1-CZ 3.94Å; E82-R173 IonicContact OE1-NH2 2.65Å; E82-R173 PolarHBondContact OE1-NH2 2.63Å; R173-G175 PolarHBondContact O-N 2.84Å; R173-E176 HydrophobicContact CB-CG 4.45Å; R173-E176 PolarHBondContact N-OE2 3.41Å; R173-E176 WeakPolarHBondContact O-CB 3.49Å; R173-E176 PolarHBondContact O-N 3.15Å
174	L	65.7	Low	74	Confident	101 Å²	101	60.1 Å²	60.1	53%	0.529	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	126.6	175.3	-172.7	67.5	0	0	0	110.2
175	G	67.5	Low	73.8	Confident	41 Å²	41	59.8 Å²	59.8	42%	0.423	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.7	6.1	-173.3	0	0	0	0	0	114.7	R173 V190	R173-G175 PolarHBondContact O-N 2.84Å; G175-V190 VanDerWaalsContact O-CG1 3.3Å; G175-V190 WeakPolarHBondContact O-CG1 3.44Å; G175-V190 WeakPolarHBondContact O-CG2 3.31Å; G175-V190 PolarHBondContact O-N 3.01Å
176	E	76.1	Confident	73.8	Confident	43 Å²	43	53.3 Å²	53.3	20%	0.201	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	163.2	171.1	-56.8	-172.7	130.2	0	0	112.2	C172 R173 C187 V188	C172-E176 HydrophobicContact CB-CB 3.84Å; R173-E176 HydrophobicContact CB-CG 4.45Å; R173-E176 PolarHBondContact N-OE2 3.41Å; R173-E176 WeakPolarHBondContact O-CB 3.49Å; R173-E176 PolarHBondContact O-N 3.15Å; E176-C187 WeakPolarHBondContact OE2-CB 3.37Å; E176-V188 CarbonylContact C-O 3.57Å; E176-V188 WeakPolarHBondContact CA-O 3.3Å
177	N	72.9	Confident	74.1	Confident	7 Å²	7	53.1 Å²	53.1	4%	0.037	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	135.8	168.1	-83.4	104.4	0	0	0	109.8	N130 L169 C179 V188 V190 K193	N130-N177 PolarHBondContact O-ND2 3.3Å; L169-N177 HydrophobicContact CD2-CB 4.45Å; N177-C179 VanDerWaalsContact CB-SG 3.6Å; N177-C179 PolarHBondContact O-N 2.04Å; N177-C179 PolarHBondContact O-SG 3.45Å; N177-V188 PolarHBondContact N-O 2.62Å; N177-V188 PolarHBondContact O-N 3.01Å; N177-V190 WeakPolarHBondContact OD1-CG1 3.44Å; N177-K193 PolarHBondContact OD1-NZ 3.42Å
178	C	75.6	Confident	74.7	Confident	11 Å²	11	45.6 Å²	45.6	7%	0.074	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	113.6	163.4	-175.8	0	0	0	0	109.1	C166 L169	C166-C178 HydrophobicContact CB-CB 3.76Å; C166-C178 WeakPolarHBondContact CB-SG 3.48Å; C166-C178 WeakPolarHBondContact SG-CA 3.04Å; C166-C178 WeakPolarHBondContact SG-CB 3.46Å; C166-C178 CovalentContact SG-SG 2.03Å; C166-C178 PolarHBondContact SG-SG 2.95Å; L169-C178 HydrophobicContact CD2-CB 3.99Å; L169-C178 VanDerWaalsContact CD2-N 3.28Å; L169-C178 HydrophobicContact CG-CB 4.21Å
179	C	78.4	Confident	75.4	Confident	2 Å²	2	46.5 Å²	46.5	1%	0.014	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	144.2	-168.3	-71.4	0	0	0	0	111.1	C151 N177 T181 Y185 R186 V188	C151-C179 HydrophobicContact CB-CB 3.54Å; C151-C179 WeakPolarHBondContact CB-SG 3.29Å; C151-C179 WeakPolarHBondContact SG-CB 3.36Å; C151-C179 CovalentContact SG-SG 2.02Å; C151-C179 PolarHBondContact SG-SG 3.46Å; N177-C179 VanDerWaalsContact CB-SG 3.6Å; N177-C179 PolarHBondContact O-N 2.04Å; N177-C179 PolarHBondContact O-SG 3.45Å; C179-T181 HydrophobicContact CB-CG2 4.25Å; C179-Y185 WeakPolarHBondContact O-CA 3Å; C179-R186 PolarHBondContact N-O 2.9Å; C179-R186 PolarHBondContact O-N 2.79Å; C179-V188 HydrophobicContact CB-CB 4.17Å; C179-V188 HydrophobicContact CB-CG2 3.72Å
180	H	77.2	Confident	75.8	Confident	99 Å²	99	47.8 Å²	47.8	46%	0.458	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	128.1	163.5	-163.5	-49.8	0	0	0	108.9	Y185	H180-Y185 HydrophobicContact CB-CD1 3.87Å; H180-Y185 HydrophobicContact CB-CE1 3.77Å; H180-Y185 AromaticContact CD2-CE1 3.4Å; H180-Y185 VanDerWaalsContact CD2-CE1 3.4Å; H180-Y185 WeakPolarHBondContact CD2-CE1 3.1Å; H180-Y185 AromaticContact CG-CE1 3.9Å
181	T	74.8	Confident	75.9	Confident	9 Å²	9	52.2 Å²	52.2	6%	0.055	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	171.2	179.1	70.3	0	0	0	0	108.2	L160 C179 A183 G184 R186 V188	L160-T181 HydrophobicContact CD2-CG2 4.06Å; C179-T181 HydrophobicContact CB-CG2 4.25Å; T181-A183 VanDerWaalsContact C-N 3.27Å; T181-A183 PolarHBondContact OG1-N 2.03Å; T181-G184 PolarHBondContact N-O 3.08Å; T181-G184 PolarHBondContact O-N 3.36Å; T181-G184 VanDerWaalsContact O-N 3.09Å; T181-G184 PolarHBondContact OG1-N 3.26Å; T181-G184 PolarHBondContact OG1-O 3.3Å; T181-R186 HydrophobicContact CG2-CB 4.31Å; T181-V188 HydrophobicContact CG2-CG2 4.28Å
182	D	75.6	Confident	75.4	Confident	155 Å²	155	49.1 Å²	49.1	83%	0.829	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-33.9	176.4	-57.2	-36.6	0	0	0	110.7	G184	D182-G184 PolarHBondContact O-N 3.21Å
183	A	77.9	Confident	73.9	Confident	14 Å²	14	52.2 Å²	52.2	12%	0.116	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	13.8	167.6	0	0	0	0	0	115	N157 L160 E161 T181 R186	N157-A183 PolarHBondContact OD1-N 2.68Å; L160-A183 HydrophobicContact CB-CB 3.75Å; E161-A183 HydrophobicContact CB-CB 4.48Å; E161-A183 HydrophobicContact CG-CB 3.58Å; T181-A183 VanDerWaalsContact C-N 3.27Å; T181-A183 PolarHBondContact OG1-N 2.03Å; A183-R186 HydrophobicContact CB-CG 4.47Å; A183-R186 PolarHBondContact O-NE 2.87Å; A183-R186 PolarHBondContact O-NH2 2.89Å; A183-R186 VanDerWaalsContact O-NH2 3.09Å
184	G	79.6	Confident	72.4	Confident	28 Å²	28	53.1 Å²	53.1	29%	0.289	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	89.5	-150.8	-179.7	0	0	0	0	0	114.4	T181 D182	T181-G184 PolarHBondContact N-O 3.08Å; T181-G184 PolarHBondContact O-N 3.36Å; T181-G184 VanDerWaalsContact O-N 3.09Å; T181-G184 PolarHBondContact OG1-N 3.26Å; T181-G184 PolarHBondContact OG1-O 3.3Å; D182-G184 PolarHBondContact O-N 3.21Å
185	Y	83.1	Confident	71	Confident	113 Å²	113	52.8 Å²	52.8	44%	0.443	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	119.3	176.1	-68.2	-60.7	0	0	0	111.1	R145 K165 C166 C179 H180	R145-Y185 VanDerWaalsContact CD-CZ 3.49Å; R145-Y185 HydrophobicContact CG-CD1 4.35Å; R145-Y185 HydrophobicContact CG-CE1 3.44Å; R145-Y185 VanDerWaalsContact CG-CE1 3.44Å; R145-Y185 PolarHBondContact NH2-OH 3.22Å; K165-Y185 WeakPolarHBondContact CA-O 3.02Å; C166-Y185 PolarHBondContact N-O 3.49Å; C166-Y185 WeakPolarHBondContact O-CB 3.42Å; C179-Y185 WeakPolarHBondContact O-CA 3Å; H180-Y185 HydrophobicContact CB-CD1 3.87Å; H180-Y185 HydrophobicContact CB-CE1 3.77Å; H180-Y185 AromaticContact CD2-CE1 3.4Å; H180-Y185 VanDerWaalsContact CD2-CE1 3.4Å; H180-Y185 WeakPolarHBondContact CD2-CE1 3.1Å; H180-Y185 AromaticContact CG-CE1 3.9Å
186	R	86.1	Confident	69.6	Low	21 Å²	21	59 Å²	59	8%	0.079	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	144.5	-172.2	-60.4	-65.3	177	143.1	12.4	112.6	L160 E161 L163 H164 C166 C179 T181 A183 V188	L160-R186 WeakPolarHBondContact O-CD 3.48Å; L160-R186 WeakPolarHBondContact O-CG 3.28Å; L160-R186 PolarHBondContact O-NE 3.37Å; E161-R186 PolarHBondContact O-NH1 3.04Å; L163-R186 HydrophobicContact CB-CB 4Å; L163-R186 HydrophobicContact CB-CG 4.42Å; L163-R186 HydrophobicContact CD1-CB 4.23Å; L163-R186 WeakPolarHBondContact O-CD 2.97Å; L163-R186 PolarHBondContact O-NH1 3.39Å; H164-R186 CarbonylContact O-C 3.59Å; H164-R186 WeakPolarHBondContact O-CA 3.07Å; C166-R186 PolarHBondContact SG-N 3.28Å; C179-R186 PolarHBondContact N-O 2.9Å; C179-R186 PolarHBondContact O-N 2.79Å; T181-R186 HydrophobicContact CG2-CB 4.31Å; A183-R186 HydrophobicContact CB-CG 4.47Å; A183-R186 PolarHBondContact O-NE 2.87Å; A183-R186 PolarHBondContact O-NH2 2.89Å; A183-R186 VanDerWaalsContact O-NH2 3.09Å; R186-V188 PolarHBondContact O-N 3.26Å
187	C	84.1	Confident	67.6	Low	1 Å²	1	68.2 Å²	68.2	1%	0.007	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	110.6	169.4	-64.1	0	0	0	0	109.8	L163 H164 C172 E176	L163-C187 WeakPolarHBondContact CD1-O 3.38Å; L163-C187 WeakPolarHBondContact CD2-O 3.48Å; H164-C187 HydrophobicContact CB-CB 4.22Å; H164-C187 PolarHBondContact O-N 2.8Å; C172-C187 WeakPolarHBondContact CA-SG 3.48Å; C172-C187 HydrophobicContact CB-CB 3.64Å; C172-C187 WeakPolarHBondContact CB-SG 3.18Å; C172-C187 WeakPolarHBondContact SG-CA 3.45Å; C172-C187 WeakPolarHBondContact SG-CB 3.3Å; C172-C187 CovalentContact SG-SG 2.04Å; C172-C187 PolarHBondContact SG-SG 2.85Å; E176-C187 WeakPolarHBondContact OE2-CB 3.37Å
188	V	84.4	Confident	65.5	Low	0 Å²	0	71.3 Å²	71.3	0%	0	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	122.1	-176.1	169.1	0	0	0	0	109.4	V153 L163 E176 N177 C179 T181 R186 V190 A192	V153-V188 HydrophobicContact CG1-CB 4.38Å; V153-V188 HydrophobicContact CG1-CG1 3.46Å; V153-V188 VanDerWaalsContact CG1-CG1 3.46Å; V153-V188 HydrophobicContact CG1-CG2 4Å; L163-V188 HydrophobicContact CD1-CG2 3.87Å; E176-V188 CarbonylContact C-O 3.57Å; E176-V188 WeakPolarHBondContact CA-O 3.3Å; N177-V188 PolarHBondContact N-O 2.62Å; N177-V188 PolarHBondContact O-N 3.01Å; C179-V188 HydrophobicContact CB-CB 4.17Å; C179-V188 HydrophobicContact CB-CG2 3.72Å; T181-V188 HydrophobicContact CG2-CG2 4.28Å; R186-V188 PolarHBondContact O-N 3.26Å; V188-V190 PolarHBondContact O-N 2.04Å; V188-A192 HydrophobicContact CG1-CB 4.19Å
189	P	80.6	Confident	63.3	Low	47 Å²	47	81.1 Å²	81.1	31%	0.305	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.7	136.4	172.9	-27.4	35.7	0	0	0	112.4	N191 A192	P189-N191 PolarHBondContact O-N 2.99Å; P189-N191 VanDerWaalsContact O-N 3.08Å; P189-A192 WeakPolarHBondContact O-CB 3.43Å; P189-A192 PolarHBondContact O-N 3.08Å
190	V	68.6	Low	61	Low	42 Å²	42	85.4 Å²	85.4	26%	0.255	46%	0.46	S	S	.	.	G	3₁₀ helix	trans	-59.5	-26.8	-178.4	-65	0	0	0	0	113.3	G175 N177 V188 A192 K193	G175-V190 VanDerWaalsContact O-CG1 3.3Å; G175-V190 WeakPolarHBondContact O-CG1 3.44Å; G175-V190 WeakPolarHBondContact O-CG2 3.31Å; G175-V190 PolarHBondContact O-N 3.01Å; N177-V190 WeakPolarHBondContact OD1-CG1 3.44Å; V188-V190 PolarHBondContact O-N 2.04Å; V190-A192 VanDerWaalsContact C-N 3.27Å; V190-A192 PolarHBondContact O-N 2.82Å; V190-K193 WeakPolarHBondContact O-CB 3.24Å; V190-K193 WeakPolarHBondContact O-CG 3.01Å; V190-K193 PolarHBondContact O-N 2.92Å
191	N	63.9	Low	58.6	Low	154 Å²	154	90.9 Å²	90.9	82%	0.824	48%	0.476	S	S	*	.	G	3₁₀ helix	trans	-71.7	-15.9	177.7	-65.3	-15.6	0	0	0	113.7	P189 K193	P189-N191 PolarHBondContact O-N 2.99Å; P189-N191 VanDerWaalsContact O-N 3.08Å; N191-K193 PolarHBondContact O-N 2.87Å
192	A	59.1	Low	56.6	Low	26 Å²	26	97 Å²	97	22%	0.215	51%	0.513	C	S	.	.	G	3₁₀ helix	trans	-79.7	-2.3	174.7	0	0	0	0	0	113.5	N154 M155 V188 P189 V190	N154-A192 PolarHBondContact N-O 3.05Å; M155-A192 HydrophobicContact CG-CB 4.47Å; M155-A192 HydrophobicContact SD-CB 3.93Å; V188-A192 HydrophobicContact CG1-CB 4.19Å; P189-A192 WeakPolarHBondContact O-CB 3.43Å; P189-A192 PolarHBondContact O-N 3.08Å; V190-A192 VanDerWaalsContact C-N 3.27Å; V190-A192 PolarHBondContact O-N 2.82Å
193	K	45.1	Very low	54.4	Low	74 Å²	74	95.5 Å²	95.5	32%	0.322	51%	0.505	S	S	.	.	B	Isolated β-bridge	trans	-83.8	139.7	175.4	-60.3	174.2	-172.2	170.5	0	110.2	N177 V190 N191 S195	N177-K193 PolarHBondContact OD1-NZ 3.42Å; V190-K193 WeakPolarHBondContact O-CB 3.24Å; V190-K193 WeakPolarHBondContact O-CG 3.01Å; V190-K193 PolarHBondContact O-N 2.92Å; N191-K193 PolarHBondContact O-N 2.87Å; K193-S195 PolarHBondContact O-N 3.21Å
194	K	43.4	Very low	52.1	Low	127 Å²	127	101 Å²	101	55%	0.552	53%	0.533	S	S	*	.	P	Polyproline II helix	trans	-57.7	129.7	168.7	-84.4	-173.6	173.4	178.4	0	110.5	L196	K194-L196 PolarHBondContact O-N 3Å; K194-L196 VanDerWaalsContact O-N 3.13Å
195	S	37.2	Very low	49.9	Very low	94 Å²	94	105.1 Å²	105.1	66%	0.657	56%	0.557	S	S	*	*	P	Polyproline II helix	trans	-58.6	118.1	170.2	179.8	0	0	0	0	110.2	K193 R197	K193-S195 PolarHBondContact O-N 3.21Å; S195-R197 PolarHBondContact OG-N 2.94Å; S195-R197 PolarHBondContact OG-O 2.8Å; S195-R197 VanDerWaalsContact OG-O 3.09Å
196	L	38.1	Very low	47.7	Very low	173 Å²	173	104.9 Å²	104.9	91%	0.906	57%	0.572	S	S	*	*			trans	-98	9.3	163.5	-76.3	170.2	0	0	0	112.3	K194 G198	K194-L196 PolarHBondContact O-N 3Å; K194-L196 VanDerWaalsContact O-N 3.13Å; L196-G198 PolarHBondContact O-N 2.91Å
197	R	33.6	Very low	45.2	Very low	235 Å²	235	112.1 Å²	112.1	89%	0.887	61%	0.612	S	S	*	*	S	Bend	trans	-74.9	115.4	156.7	-70.5	-172	177.6	-163.3	0.8	107.9	S195	S195-R197 PolarHBondContact OG-N 2.94Å; S195-R197 PolarHBondContact OG-O 2.8Å; S195-R197 VanDerWaalsContact OG-O 3.09Å
198	G	29.8	Very low	42.9	Very low	73 Å²	73	121.2 Å²	121.2	75%	0.753	65%	0.654	S	S	*	*	S	Bend	trans	110.1	26.6	161.1	0	0	0	0	0	119.1	L196	L196-G198 PolarHBondContact O-N 2.91Å
199	K	28.9	Very low	40.5	Very low	217 Å²	217	130.5 Å²	130.5	94%	0.943	69%	0.694	S	S	*	*			trans	-132.9	47	156.8	-84.5	-158.6	173.5	-174.4	0	113.5
200	A	29.2	Very low	38.6	Very low	92 Å²	92	138.6 Å²	138.6	76%	0.76	74%	0.742	S	S	*	*	S	Bend	trans	-112.4	116.4	157.5	0	0	0	0	0	107.5
201	R	26.7	Very low	37.1	Very low	213 Å²	213	143.4 Å²	143.4	80%	0.804	77%	0.767	S	S	*	*			trans	41.2	104.7	177.7	-71	-168.8	161.6	129.1	0.2	117.9	D203	R201-D203 WeakPolarHBondContact CD-OD2 3.41Å; R201-D203 WeakPolarHBondContact CG-OD2 3.06Å; R201-D203 IonicContact CZ-OD2 3.99Å; R201-D203 IonicContact NE-OD2 2.93Å; R201-D203 PolarHBondContact NE-OD2 3.46Å
202	V	34.1	Very low	35.7	Very low	137 Å²	137	142.8 Å²	142.8	83%	0.83	76%	0.764	S	S	*	*				-119.7	92.5	114.7	177.5	0	0	0	0	106.5	N204	V202-N204 HydrophobicContact CG1-CB 3.96Å; V202-N204 PolarHBondContact O-N 3.43Å
203	D	29.1	Very low	34.4	Very low	124 Å²	124	149.3 Å²	149.3	66%	0.663	79%	0.794	S	S	*	*			trans	-69.7	112.8	156.8	-63.3	-51.7	0	0	0	105.6	R201	R201-D203 WeakPolarHBondContact CD-OD2 3.41Å; R201-D203 WeakPolarHBondContact CG-OD2 3.06Å; R201-D203 IonicContact CZ-OD2 3.99Å; R201-D203 IonicContact NE-OD2 2.93Å; R201-D203 PolarHBondContact NE-OD2 3.46Å
204	N	30.3	Very low	33.8	Very low	129 Å²	129	153.8 Å²	153.8	69%	0.69	82%	0.822	S	S	*	*			trans	-142.7	103.6	164.9	-158.3	8.2	0	0	0	111	V202 S206	V202-N204 HydrophobicContact CG1-CB 3.96Å; V202-N204 PolarHBondContact O-N 3.43Å; N204-S206 PolarHBondContact O-N 3.3Å
205	S	32.3	Very low	33.2	Very low	115 Å²	115	155.4 Å²	155.4	80%	0.804	84%	0.839	S	S	*	*			trans	-71	105.6	174.7	48.1	0	0	0	0	110.2
206	S	36.5	Very low	32.9	Very low	109 Å²	109	159.5 Å²	159.5	76%	0.762	85%	0.851	S	S	*	*			trans	-153.7	49.3	165.2	-73.2	0	0	0	0	110.8	N204 E208	N204-S206 PolarHBondContact O-N 3.3Å; S206-E208 PolarHBondContact O-N 3.48Å
207	L	34.4	Very low	32.5	Very low	173 Å²	173	158.6 Å²	158.6	91%	0.906	85%	0.847	S	S	*	*			trans	-82.9	96.9	153.7	-97.3	150	0	0	0	106.9
208	E	36.6	Very low	32.5	Very low	191 Å²	191	152.7 Å²	152.7	89%	0.893	84%	0.844	S	S	*	*				-166.4	139.4	123.8	-103.6	166.9	170.5	0	0	109.7	S206	S206-E208 PolarHBondContact O-N 3.48Å
209	K	32.5	Very low	32.7	Very low	195 Å²	195	159.3 Å²	159.3	85%	0.848	85%	0.852	S	S	*	*			trans	-116.1	140.8	176	-85.5	-175.4	174.5	-178.6	0	108
210	V	41.4	Very low	33	Very low	217 Å²	217	154.1 Å²	154.1	100%	1.315	84%	0.843	S	S	*	*			trans	40.7	0	144.2	-169.8	0	0	0	0	115.6

Retrieved 210 of 210 residues in 80.6 ms (Link to these results)

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