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Vasopressin-neurophysin 2-copeptin

Precursor of Arg-vasopressin, an antidiuretic hormone, and neurophysin 2, its carrier protein. Has a direct antidiuretic action on the kidney, it also causes vasoconstriction of the peripheral vessels. Acts by binding to vasopressin receptors (V1bR/AVPR1B, V1aR/AVPR1A, and V2R/AVPR2). Carrier protein that binds to and transports Arg-vasopressin from the hypothalamus to the posterior pituitary gland, protecting it from degradation and facilitating its release.

AlphaFold DB , UniProt , Accession P01185, Species HUMAN (Homo sapiens, Human), Gene AVP, Length 164 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	56.6	Low	77.8	Confident	216 Å²	216	111.3 Å²	111.3	100%	1.064	62%	0.616	S	S	*	*				0	64.1	0	-52.6	174.8	-177.4	0	0	109.9
2	P	68.7	Low	78.3	Confident	91 Å²	91	104.3 Å²	104.3	59%	0.591	59%	0.588	S	S	*	*			trans	-86.8	-18.9	179.7	34.2	-32.3	0	0	0	113.5	T4 M5	P2-T4 VanDerWaalsContact C-N 3.29Å; P2-T4 PolarHBondContact O-N 3.3Å; P2-M5 PolarHBondContact O-N 3.31Å
3	D	67.7	Low	78.8	Confident	135 Å²	135	105.3 Å²	105.3	72%	0.722	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.9	-23.4	-167.8	-52.7	-63.9	0	0	0	113.9	P7	D3-P7 WeakPolarHBondContact O-CD 3.41Å
4	T	74.7	Confident	79.1	Confident	102 Å²	102	105.7 Å²	105.7	63%	0.626	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.8	-16	178.7	-25	0	0	0	0	113.3	P2 A8	P2-T4 VanDerWaalsContact C-N 3.29Å; P2-T4 PolarHBondContact O-N 3.3Å; T4-A8 WeakPolarHBondContact O-CB 3.48Å; T4-A8 PolarHBondContact O-N 3.26Å
5	M	77	Confident	79.3	Confident	120 Å²	120	102.5 Å²	102.5	59%	0.591	58%	0.581	S	S	*	*	H	α-helix	trans	-74.7	-40.3	-177.6	-78.1	-76.6	99.9	0	0	112.5	P2 A8 C9	P2-M5 PolarHBondContact O-N 3.31Å; M5-A8 PolarHBondContact O-N 2.87Å; M5-C9 PolarHBondContact O-N 2.99Å; M5-C9 PolarHBondContact O-SG 2.92Å; M5-C9 VanDerWaalsContact O-SG 3.34Å
6	L	82.9	Confident	79.2	Confident	116 Å²	116	105.9 Å²	105.9	61%	0.607	59%	0.588	S	S	*	*	H	α-helix	trans	-56.7	-55.3	177.4	-100.6	159.1	0	0	0	113.4	A8 C9 F10	L6-A8 VanDerWaalsContact C-N 3.3Å; L6-A8 PolarHBondContact O-N 3.34Å; L6-C9 PolarHBondContact O-N 3.01Å; L6-F10 HydrophobicContact CD2-CD2 4.27Å; L6-F10 HydrophobicContact CD2-CE2 3.81Å; L6-F10 VanDerWaalsContact O-CD2 3.31Å; L6-F10 WeakPolarHBondContact O-CD2 3.41Å; L6-F10 PolarHBondContact O-N 3.43Å
7	P	83.6	Confident	78.8	Confident	64 Å²	64	103.8 Å²	103.8	42%	0.416	58%	0.583	S	S	.	*	H	α-helix	trans	-64.4	-34.7	179.7	22.2	-30.8	0	0	0	112.5	D3 F10 L11	D3-P7 WeakPolarHBondContact O-CD 3.41Å; P7-F10 PolarHBondContact O-N 3.15Å; P7-L11 WeakPolarHBondContact O-CB 3.26Å; P7-L11 PolarHBondContact O-N 3.22Å
8	A	85.2	Confident	78.1	Confident	52 Å²	52	102.6 Å²	102.6	43%	0.43	58%	0.582	S	S	.	*	H	α-helix	trans	-63.6	-41.8	175.2	0	0	0	0	0	112.2	T4 M5 L6 L11 G12	T4-A8 WeakPolarHBondContact O-CB 3.48Å; T4-A8 PolarHBondContact O-N 3.26Å; M5-A8 PolarHBondContact O-N 2.87Å; L6-A8 VanDerWaalsContact C-N 3.3Å; L6-A8 PolarHBondContact O-N 3.34Å; A8-L11 PolarHBondContact O-N 3.07Å; A8-G12 PolarHBondContact O-N 3.18Å
9	C	86.2	Confident	77.4	Confident	77 Å²	77	100.9 Å²	100.9	52%	0.52	58%	0.582	S	S	.	*	H	α-helix	trans	-63.2	-43.4	174	-72.4	0	0	0	0	112.2	M5 L6 G12 L13	M5-C9 PolarHBondContact O-N 2.99Å; M5-C9 PolarHBondContact O-SG 2.92Å; M5-C9 VanDerWaalsContact O-SG 3.34Å; L6-C9 PolarHBondContact O-N 3.01Å; C9-G12 PolarHBondContact O-N 3.42Å; C9-L13 WeakPolarHBondContact O-CG 3.39Å; C9-L13 PolarHBondContact O-N 3.31Å
10	F	86.7	Confident	76.8	Confident	128 Å²	128	101.5 Å²	101.5	56%	0.561	59%	0.591	S	S	*	*	H	α-helix	trans	-62.6	-43.8	176.4	-87.4	-75.7	0	0	0	112.3	L6 P7 G12 L13 L14	L6-F10 HydrophobicContact CD2-CD2 4.27Å; L6-F10 HydrophobicContact CD2-CE2 3.81Å; L6-F10 VanDerWaalsContact O-CD2 3.31Å; L6-F10 WeakPolarHBondContact O-CD2 3.41Å; L6-F10 PolarHBondContact O-N 3.43Å; P7-F10 PolarHBondContact O-N 3.15Å; F10-G12 VanDerWaalsContact C-N 3.33Å; F10-G12 PolarHBondContact O-N 3.34Å; F10-L13 PolarHBondContact O-N 2.94Å; F10-L14 WeakPolarHBondContact O-CB 3.38Å; F10-L14 WeakPolarHBondContact O-CG 3.3Å; F10-L14 PolarHBondContact O-N 3.22Å
11	L	86.6	Confident	76.2	Confident	123 Å²	123	104.5 Å²	104.5	64%	0.644	59%	0.593	S	S	*	*	H	α-helix	trans	-61.2	-40.4	173.9	-88.1	150.7	0	0	0	112	P7 A8 L14 A15	P7-L11 WeakPolarHBondContact O-CB 3.26Å; P7-L11 PolarHBondContact O-N 3.22Å; A8-L11 PolarHBondContact O-N 3.07Å; L11-L14 PolarHBondContact O-N 3.36Å; L11-A15 WeakPolarHBondContact O-CB 3.36Å; L11-A15 PolarHBondContact O-N 2.94Å
12	G	83.9	Confident	76.4	Confident	27 Å²	27	101.7 Å²	101.7	28%	0.278	58%	0.575	S	S	.	*	H	α-helix	trans	-61.9	-50.3	174.4	0	0	0	0	0	112.4	A8 C9 F10 L14 A15 F16	A8-G12 PolarHBondContact O-N 3.18Å; C9-G12 PolarHBondContact O-N 3.42Å; F10-G12 VanDerWaalsContact C-N 3.33Å; F10-G12 PolarHBondContact O-N 3.34Å; G12-L14 VanDerWaalsContact C-N 3.33Å; G12-L14 PolarHBondContact O-N 3.31Å; G12-A15 PolarHBondContact O-N 2.94Å; G12-F16 WeakPolarHBondContact O-CD2 3.49Å; G12-F16 PolarHBondContact O-N 3.43Å
13	L	84.3	Confident	76	Confident	118 Å²	118	104.4 Å²	104.4	62%	0.618	58%	0.58	S	S	*	*	H	α-helix	trans	-61.2	-40.5	177.8	-70.4	171.2	0	0	0	112.1	C9 F10 F16 S17	C9-L13 WeakPolarHBondContact O-CG 3.39Å; C9-L13 PolarHBondContact O-N 3.31Å; F10-L13 PolarHBondContact O-N 2.94Å; L13-F16 PolarHBondContact O-N 2.94Å; L13-S17 WeakPolarHBondContact O-CB 3.37Å; L13-S17 PolarHBondContact O-N 3.41Å; L13-S17 PolarHBondContact O-OG 3.45Å
14	L	83.4	Confident	75.7	Confident	111 Å²	111	104.9 Å²	104.9	58%	0.581	58%	0.583	S	S	*	*	H	α-helix	trans	-62.2	-45.9	174.5	-80.7	164.5	0	0	0	111.5	F10 L11 G12 S17 S18	F10-L14 WeakPolarHBondContact O-CB 3.38Å; F10-L14 WeakPolarHBondContact O-CG 3.3Å; F10-L14 PolarHBondContact O-N 3.22Å; L11-L14 PolarHBondContact O-N 3.36Å; G12-L14 VanDerWaalsContact C-N 3.33Å; G12-L14 PolarHBondContact O-N 3.31Å; L14-S17 WeakPolarHBondContact CA-OG 3.38Å; L14-S17 PolarHBondContact O-N 3.36Å; L14-S17 PolarHBondContact O-OG 3.5Å; L14-S18 WeakPolarHBondContact O-CB 3.38Å; L14-S18 PolarHBondContact O-N 3.17Å; L14-S18 PolarHBondContact O-OG 3.37Å
15	A	81.6	Confident	75	Confident	57 Å²	57	104.4 Å²	104.4	47%	0.471	58%	0.583	S	S	.	*	H	α-helix	trans	-63.5	-39.7	177.2	0	0	0	0	0	112.9	L11 G12 S18 A19	L11-A15 WeakPolarHBondContact O-CB 3.36Å; L11-A15 PolarHBondContact O-N 2.94Å; G12-A15 PolarHBondContact O-N 2.94Å; A15-S18 PolarHBondContact O-OG 3.02Å; A15-S18 VanDerWaalsContact O-OG 3.08Å; A15-A19 WeakPolarHBondContact O-CB 3.25Å; A15-A19 PolarHBondContact O-N 3.49Å
16	F	77.9	Confident	74.3	Confident	158 Å²	158	104.4 Å²	104.4	69%	0.693	59%	0.592	S	S	*	*	H	α-helix	trans	-68.7	-37.8	174.2	-78.7	-67.8	0	0	0	112.1	G12 L13 C20	G12-F16 WeakPolarHBondContact O-CD2 3.49Å; G12-F16 PolarHBondContact O-N 3.43Å; L13-F16 PolarHBondContact O-N 2.94Å; F16-C20 PolarHBondContact O-N 3.3Å
17	S	72.6	Confident	73.2	Confident	70 Å²	70	110.5 Å²	110.5	49%	0.49	61%	0.607	S	S	.	*	H	α-helix	trans	-69.7	-34.7	177	72.6	0	0	0	0	112.8	L13 L14 C20	L13-S17 WeakPolarHBondContact O-CB 3.37Å; L13-S17 PolarHBondContact O-N 3.41Å; L13-S17 PolarHBondContact O-OG 3.45Å; L14-S17 WeakPolarHBondContact CA-OG 3.38Å; L14-S17 PolarHBondContact O-N 3.36Å; L14-S17 PolarHBondContact O-OG 3.5Å; S17-C20 PolarHBondContact O-N 3.26Å
18	S	66.6	Low	71.9	Confident	81 Å²	81	110.1 Å²	110.1	57%	0.566	61%	0.614	S	S	*	*	H	α-helix	trans	-76.2	-32.5	177.3	66.7	0	0	0	0	112.5	L14 A15 C20 Y21	L14-S18 WeakPolarHBondContact O-CB 3.38Å; L14-S18 PolarHBondContact O-N 3.17Å; L14-S18 PolarHBondContact O-OG 3.37Å; A15-S18 PolarHBondContact O-OG 3.02Å; A15-S18 VanDerWaalsContact O-OG 3.08Å; S18-C20 PolarHBondContact O-N 3.38Å; S18-Y21 PolarHBondContact O-N 3.33Å
19	A	64.6	Low	70.6	Confident	71 Å²	71	110.1 Å²	110.1	59%	0.587	62%	0.62	S	S	*	*	H	α-helix	trans	-65.5	-23	173.2	0	0	0	0	0	113.2	A15	A15-A19 WeakPolarHBondContact O-CB 3.25Å; A15-A19 PolarHBondContact O-N 3.49Å
20	C	65.9	Low	69.2	Low	112 Å²	112	117.3 Å²	117.3	76%	0.757	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.5	-3.9	175.5	-67.7	0	0	0	0	114.1	F16 S17 S18 F22	F16-C20 PolarHBondContact O-N 3.3Å; S17-C20 PolarHBondContact O-N 3.26Å; S18-C20 PolarHBondContact O-N 3.38Å; C20-F22 PolarHBondContact O-N 3.43Å
21	Y	63.7	Low	67.9	Low	165 Å²	165	122.3 Å²	122.3	65%	0.647	66%	0.657	S	S	*	*			trans	-98.3	55.6	-176.4	-155.1	-113.5	0	0	0	112.6	S18 Q23	S18-Y21 PolarHBondContact O-N 3.33Å; Y21-Q23 HydrophobicContact CD1-CG 3.57Å; Y21-Q23 HydrophobicContact CE1-CG 3.26Å; Y21-Q23 HydrophobicContact CG-CG 4.41Å; Y21-Q23 PolarHBondContact O-N 3.2Å
22	F	61.3	Low	66.4	Low	157 Å²	157	119.9 Å²	119.9	69%	0.689	66%	0.655	S	S	*	*			trans	-69.8	97.7	162.4	-100.9	-95.8	0	0	0	108.7	C20 N24	C20-F22 PolarHBondContact O-N 3.43Å; F22-N24 PolarHBondContact O-N 3.12Å
23	Q	59.8	Low	65	Low	149 Å²	149	123.4 Å²	123.4	70%	0.696	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.2	-8.2	173.5	-66.5	-174.8	52.4	0	0	113.2	Y21	Y21-Q23 HydrophobicContact CD1-CG 3.57Å; Y21-Q23 HydrophobicContact CE1-CG 3.26Å; Y21-Q23 HydrophobicContact CG-CG 4.41Å; Y21-Q23 PolarHBondContact O-N 3.2Å
24	N	61.3	Low	63.4	Low	144 Å²	144	122.9 Å²	122.9	77%	0.77	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.2	44	178.6	-72.9	-60.8	0	0	0	111.7	F22 P26	F22-N24 PolarHBondContact O-N 3.12Å; N24-P26 WeakPolarHBondContact O-CD 3.38Å
25	C	60.7	Low	62	Low	93 Å²	93	125.3 Å²	125.3	63%	0.628	69%	0.685	S	S	*	*			trans	-64.3	123	167.4	-78.2	0	0	0	0	108.7	R27	C25-R27 PolarHBondContact O-N 2.95Å
26	P	60.7	Low	60.9	Low	120 Å²	120	129.4 Å²	129.4	78%	0.779	70%	0.699	S	S	*	*			trans	-55.3	136.1	172.7	23.9	-32.5	0	0	0	108.5	N24 G28	N24-P26 WeakPolarHBondContact O-CD 3.38Å; P26-G28 VanDerWaalsContact C-N 3.3Å; P26-G28 PolarHBondContact O-N 3.23Å
27	R	61.4	Low	60.4	Low	243 Å²	243	131.1 Å²	131.1	92%	0.917	71%	0.708	S	S	*	*	S	Bend	trans	-66.2	90.5	-179.9	-159	165.7	-153	167.3	5.3	108.4	C25	C25-R27 PolarHBondContact O-N 2.95Å
28	G	55.2	Low	60.9	Low	56 Å²	56	130.2 Å²	130.2	58%	0.577	70%	0.698	S	S	*	*			trans	175.1	43.1	-168.2	0	0	0	0	0	117.6	P26	P26-G28 VanDerWaalsContact C-N 3.3Å; P26-G28 PolarHBondContact O-N 3.23Å
29	G	58.4	Low	62.1	Low	53 Å²	53	129.4 Å²	129.4	55%	0.546	68%	0.683	S	S	.	*			trans	-61.5	151.9	163.6	0	0	0	0	0	111	R31 A32	G29-R31 PolarHBondContact O-N 3.16Å; G29-A32 PolarHBondContact O-N 2.86Å
30	K	56.3	Low	63.4	Low	228 Å²	228	131.6 Å²	131.6	99%	0.991	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.9	-5.2	-176.4	-65.2	-173.3	-179.8	-175.6	0	116.2
31	R	59.7	Low	64.8	Low	232 Å²	232	126.7 Å²	126.7	88%	0.875	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.7	5.2	-175.1	-56.9	-177.3	-179	-134.7	0.5	113.8	G29	G29-R31 PolarHBondContact O-N 3.16Å
32	A	54.9	Low	66.4	Low	72 Å²	72	120.3 Å²	120.3	60%	0.595	62%	0.624	S	S	*	*	S	Bend	trans	-97.7	3.6	-168.8	0	0	0	0	0	115.1	G29	G29-A32 PolarHBondContact O-N 2.86Å
33	M	54.4	Low	68.1	Low	102 Å²	102	114.6 Å²	114.6	50%	0.502	60%	0.603	S	S	.	*			trans	-136.1	11.8	-171.3	-157	139.1	-159.1	0	0	115.4	D35 L38 P84	M33-D35 PolarHBondContact O-N 3.39Å; M33-D35 VanDerWaalsContact O-N 3.16Å; M33-L38 HydrophobicContact CE-CD1 3.88Å; M33-L38 HydrophobicContact CE-CD2 4.15Å; M33-L38 HydrophobicContact CE-CG 4.35Å; M33-P84 HydrophobicContact CE-CB 3.54Å; M33-P84 HydrophobicContact CE-CG 3.43Å; M33-P84 VanDerWaalsContact CE-CG 3.43Å
34	S	51.5	Low	69.9	Low	106 Å²	106	107.6 Å²	107.6	74%	0.741	57%	0.571	S	S	*	*	S	Bend	trans	-77.8	101	165.4	50.5	0	0	0	0	107.9
35	D	53.7	Low	71.5	Confident	163 Å²	163	101.8 Å²	101.8	87%	0.872	55%	0.545	S	S	*	.	S	Bend	trans	81.7	32.3	155.9	-133.4	26.6	0	0	0	117.8	M33	M33-D35 PolarHBondContact O-N 3.39Å; M33-D35 VanDerWaalsContact O-N 3.16Å
36	L	57.6	Low	73	Confident	143 Å²	143	100.5 Å²	100.5	75%	0.749	54%	0.535	S	S	*	.			trans	-74.9	130.9	152.8	-133.3	92.1	0	0	0	107	L38	L36-L38 VanDerWaalsContact C-N 3.34Å; L36-L38 WeakPolarHBondContact O-CD1 3.39Å; L36-L38 PolarHBondContact O-N 3.21Å
37	E	69	Low	74.5	Confident	193 Å²	193	98.7 Å²	98.7	90%	0.902	54%	0.538	S	S	*	.			trans	-55.6	95.6	173.6	-167.3	176.4	171.9	0	0	109.2	R39	E37-R39 PolarHBondContact O-N 3Å
38	L	81.6	Confident	76.1	Confident	51 Å²	51	88.6 Å²	88.6	27%	0.267	51%	0.51	S	S	.	.	P	Polyproline II helix	trans	-65.3	133.6	-179.5	-99.6	70.8	0	0	0	108	M33 L36 P84 Q86	M33-L38 HydrophobicContact CE-CD1 3.88Å; M33-L38 HydrophobicContact CE-CD2 4.15Å; M33-L38 HydrophobicContact CE-CG 4.35Å; L36-L38 VanDerWaalsContact C-N 3.34Å; L36-L38 WeakPolarHBondContact O-CD1 3.39Å; L36-L38 PolarHBondContact O-N 3.21Å; L38-P84 HydrophobicContact CD2-CB 4.25Å; L38-P84 HydrophobicContact CG-CB 4.4Å; L38-P84 HydrophobicContact CG-CG 4.37Å; L38-Q86 HydrophobicContact CB-CB 4.12Å; L38-Q86 HydrophobicContact CD2-CB 3.75Å
39	R	92.1	Very high	77.9	Confident	65 Å²	65	92.8 Å²	92.8	25%	0.245	51%	0.512	C	S	.	.	B	Isolated β-bridge	trans	-58.3	147.9	173.3	68.4	178	174.1	84.3	0.4	109.4	E37 E78 L81 S83 P84 C85 Q86	E37-R39 PolarHBondContact O-N 3Å; R39-E78 IonicContact CZ-OE1 3.2Å; R39-E78 IonicContact CZ-OE2 3.61Å; R39-E78 VanDerWaalsContact NH1-CD 3.3Å; R39-E78 IonicContact NH1-OE1 2.9Å; R39-E78 PolarHBondContact NH1-OE1 3.44Å; R39-E78 IonicContact NH1-OE2 3.87Å; R39-E78 PolarHBondContact NH1-OE2 3.45Å; R39-E78 IonicContact NH2-OE1 3.63Å; R39-E78 IonicContact NH2-OE2 3.99Å; R39-E78 PolarHBondContact NH2-OE2 3.16Å; R39-L81 VanDerWaalsContact NH2-CB 3.32Å; R39-S83 WeakPolarHBondContact CD-OG 3.16Å; R39-S83 PolarHBondContact NE-O 2.98Å; R39-S83 VanDerWaalsContact NE-O 3.15Å; R39-S83 PolarHBondContact NE-OG 3.48Å; R39-S83 PolarHBondContact NH2-O 2.05Å; R39-P84 WeakPolarHBondContact CG-O 3.26Å; R39-C85 HydrophobicContact CG-CB 3.66Å; R39-C85 VanDerWaalsContact CZ-CB 3.43Å; R39-C85 VanDerWaalsContact NH1-CB 3.3Å; R39-C85 CarbonylContact O-C 3.56Å; R39-C85 WeakPolarHBondContact O-CA 3.27Å; R39-C85 WeakPolarHBondContact O-CB 3.12Å; R39-Q86 PolarHBondContact O-N 3.42Å
40	Q	92.4	Very high	79.7	Confident	117 Å²	117	90.3 Å²	90.3	55%	0.547	49%	0.487	S	S	.	.	P	Polyproline II helix	trans	-64.1	141.8	164.2	-64.3	-177.2	11.1	0	0	109
41	C	96	Very high	81.6	Confident	8 Å²	8	83.7 Å²	83.7	5%	0.054	46%	0.455	C	S	.	.	P	Polyproline II helix	trans	-66.4	165.8	174.3	-53.8	0	0	0	0	111	R51 C52 E78 C85 Q86 S87	C41-R51 VanDerWaalsContact O-CD 3.31Å; C41-R51 WeakPolarHBondContact O-CD 3.05Å; C41-R51 PolarHBondContact O-NH1 3.18Å; C41-C52 HydrophobicContact CB-CB 4.05Å; C41-C52 VanDerWaalsContact CB-O 3.29Å; C41-C52 WeakPolarHBondContact CB-O 3.38Å; C41-E78 WeakPolarHBondContact CA-OE1 3.36Å; C41-E78 VanDerWaalsContact CB-OE1 3.3Å; C41-E78 WeakPolarHBondContact CB-OE1 3.34Å; C41-C85 VanDerWaalsContact CA-SG 3.56Å; C41-C85 HydrophobicContact CB-CB 3.88Å; C41-C85 WeakPolarHBondContact CB-SG 3.48Å; C41-C85 VanDerWaalsContact SG-C 3.5Å; C41-C85 WeakPolarHBondContact SG-CB 3.03Å; C41-C85 CovalentContact SG-SG 2.05Å; C41-C85 PolarHBondContact SG-SG 2.94Å; C41-Q86 PolarHBondContact SG-N 3.16Å; C41-Q86 VanDerWaalsContact SG-N 3.44Å; C41-S87 VanDerWaalsContact CB-OG 3.28Å; C41-S87 WeakPolarHBondContact CB-OG 3.36Å; C41-S87 PolarHBondContact SG-OG 3.16Å
42	L	96.5	Very high	83.4	Confident	32 Å²	32	72.7 Å²	72.7	17%	0.168	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-54.3	142.5	-175.6	-75.3	172.1	0	0	0	111.1	C52 E77 E78 L81	L42-C52 PolarHBondContact O-N 2.88Å; L42-C52 VanDerWaalsContact O-N 3.16Å; L42-C52 PolarHBondContact O-SG 3.5Å; L42-C52 VanDerWaalsContact O-SG 3.41Å; L42-E77 HydrophobicContact CD1-CB 3.6Å; L42-E78 HydrophobicContact CB-CG 4.4Å; L42-E78 HydrophobicContact CD1-CG 4.07Å; L42-E78 HydrophobicContact CG-CG 4.3Å; L42-E78 VanDerWaalsContact CG-OE1 3.31Å; L42-E78 WeakPolarHBondContact CG-OE1 3.29Å; L42-E78 PolarHBondContact N-OE1 3.23Å; L42-L81 HydrophobicContact CD1-CD1 3.99Å; L42-L81 HydrophobicContact CD2-CD1 4.4Å; L42-L81 HydrophobicContact CG-CD1 4.12Å
43	P	97	Very high	85.4	Confident	36 Å²	36	70.8 Å²	70.8	23%	0.234	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	141.7	173	29.6	-32.3	0	0	0	110.6	G48 G50 R74	P43-G48 WeakPolarHBondContact CB-O 3.25Å; P43-G50 CarbonylContact C-O 3.43Å; P43-G50 VanDerWaalsContact CA-O 3.26Å; P43-G50 WeakPolarHBondContact CA-O 2.94Å; P43-R74 WeakPolarHBondContact O-CD 3.4Å; P43-R74 PolarHBondContact O-NH1 3Å
44	C	97.1	Very high	87.4	Confident	3 Å²	3	66.4 Å²	66.4	2%	0.02	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	174.5	-176.2	64.1	0	0	0	0	111.9	G48 K49 G50 R51 C58	C44-G48 CarbonylContact O-C 3.6Å; C44-G48 WeakPolarHBondContact O-CA 3.35Å; C44-K49 PolarHBondContact O-N 3.14Å; C44-G50 PolarHBondContact N-O 3.4Å; C44-G50 VanDerWaalsContact O-CA 3.3Å; C44-G50 WeakPolarHBondContact O-CA 3.45Å; C44-G50 PolarHBondContact O-N 2.98Å; C44-G50 VanDerWaalsContact SG-C 3.52Å; C44-R51 PolarHBondContact SG-N 2.96Å; C44-R51 VanDerWaalsContact SG-N 3.39Å; C44-R51 PolarHBondContact SG-O 2.85Å; C44-C58 HydrophobicContact CB-CB 3.82Å; C44-C58 WeakPolarHBondContact CB-SG 3.48Å; C44-C58 WeakPolarHBondContact SG-CA 3.3Å; C44-C58 WeakPolarHBondContact SG-CB 3.33Å; C44-C58 CovalentContact SG-SG 2.02Å; C44-C58 PolarHBondContact SG-SG 2.04Å
45	G	95.2	Very high	89.5	Confident	22 Å²	22	63.6 Å²	63.6	23%	0.227	35%	0.352	C	S	.	.	S	Bend	trans	69	-171.6	178.2	0	0	0	0	0	115.6	G47 G48 C58 E71	G45-G47 PolarHBondContact O-N 3.29Å; G45-G48 PolarHBondContact O-N 3.11Å; G45-C58 PolarHBondContact N-SG 3.46Å; G45-C58 VanDerWaalsContact N-SG 3.38Å; G45-E71 PolarHBondContact N-O 3.43Å
46	P	93.2	Very high	91.5	Very high	65 Å²	65	58.1 Å²	58.1	42%	0.422	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-57.9	120.2	-173.7	-25.4	34.7	0	0	0	112.5	G48 K49 L63	P46-G48 PolarHBondContact O-N 3.33Å; P46-K49 PolarHBondContact O-N 3.35Å; P46-L63 HydrophobicContact CB-CD1 4.26Å; P46-L63 HydrophobicContact CG-CD1 4.05Å
47	G	92.3	Very high	93.4	Very high	82 Å²	82	51.3 Å²	51.3	85%	0.845	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	66.2	14.7	-177.9	0	0	0	0	0	114.8	G45 K49	G45-G47 PolarHBondContact O-N 3.29Å; G47-K49 PolarHBondContact O-N 2.76Å
48	G	93.6	Very high	94.8	Very high	31 Å²	31	42.1 Å²	42.1	32%	0.32	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	66.1	21.1	-177.7	0	0	0	0	0	113.8	P43 C44 G45 P46 G50	P43-G48 WeakPolarHBondContact CB-O 3.25Å; C44-G48 CarbonylContact O-C 3.6Å; C44-G48 WeakPolarHBondContact O-CA 3.35Å; G45-G48 PolarHBondContact O-N 3.11Å; P46-G48 PolarHBondContact O-N 3.33Å; G48-G50 VanDerWaalsContact C-N 3.32Å
49	K	93.4	Very high	95.6	Very high	145 Å²	145	39.9 Å²	39.9	63%	0.63	24%	0.237	S	C	*	.			trans	-74.9	-21.3	-177.7	-67	-175.8	176.3	-171.6	0	113.3	C44 P46 G47	C44-K49 PolarHBondContact O-N 3.14Å; P46-K49 PolarHBondContact O-N 3.35Å; G47-K49 PolarHBondContact O-N 2.76Å
50	G	95.4	Very high	95.6	Very high	1 Å²	1	37 Å²	37	1%	0.01	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	172.8	178.2	0	0	0	0	0	113	P43 C44 G48 C59	P43-G50 CarbonylContact C-O 3.43Å; P43-G50 VanDerWaalsContact CA-O 3.26Å; P43-G50 WeakPolarHBondContact CA-O 2.94Å; C44-G50 PolarHBondContact N-O 3.4Å; C44-G50 VanDerWaalsContact O-CA 3.3Å; C44-G50 WeakPolarHBondContact O-CA 3.45Å; C44-G50 PolarHBondContact O-N 2.98Å; C44-G50 VanDerWaalsContact SG-C 3.52Å; G48-G50 VanDerWaalsContact C-N 3.32Å; G50-C59 CarbonylContact C-O 3.48Å; G50-C59 WeakPolarHBondContact CA-O 3.05Å
51	R	96.8	Very high	95.4	Very high	88 Å²	88	34.6 Å²	34.6	33%	0.332	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	148	173.9	-64	-67.3	179.2	174.6	-1.7	110.5	C41 C44 F53 C59 S87	C41-R51 VanDerWaalsContact O-CD 3.31Å; C41-R51 WeakPolarHBondContact O-CD 3.05Å; C41-R51 PolarHBondContact O-NH1 3.18Å; C44-R51 PolarHBondContact SG-N 2.96Å; C44-R51 VanDerWaalsContact SG-N 3.39Å; C44-R51 PolarHBondContact SG-O 2.85Å; R51-F53 HydrophobicContact CB-CE2 4.38Å; R51-F53 WeakPolarHBondContact O-CD2 3.5Å; R51-C59 PolarHBondContact N-O 3.26Å; R51-C59 PolarHBondContact O-N 2.02Å; R51-S87 WeakPolarHBondContact CB-OG 3.49Å
52	C	97.5	Very high	94.8	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.014	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	132.3	176.4	-61.7	0	0	0	0	111.1	C41 L42 I57 C75 E78 S87	C41-C52 HydrophobicContact CB-CB 4.05Å; C41-C52 VanDerWaalsContact CB-O 3.29Å; C41-C52 WeakPolarHBondContact CB-O 3.38Å; L42-C52 PolarHBondContact O-N 2.88Å; L42-C52 VanDerWaalsContact O-N 3.16Å; L42-C52 PolarHBondContact O-SG 3.5Å; L42-C52 VanDerWaalsContact O-SG 3.41Å; C52-I57 WeakPolarHBondContact CA-O 3.49Å; C52-C75 WeakPolarHBondContact CA-SG 3.49Å; C52-C75 HydrophobicContact CB-CB 3.59Å; C52-C75 WeakPolarHBondContact CB-SG 3.39Å; C52-C75 WeakPolarHBondContact SG-CA 3.42Å; C52-C75 WeakPolarHBondContact SG-CB 3.41Å; C52-C75 CovalentContact SG-SG 2.04Å; C52-C75 PolarHBondContact SG-SG 3.36Å; C52-E78 HydrophobicContact CB-CG 4.25Å; C52-S87 VanDerWaalsContact O-CB 3.28Å; C52-S87 WeakPolarHBondContact O-CB 3.01Å; C52-S87 PolarHBondContact O-OG 3.41Å
53	F	96.8	Very high	94.4	Very high	31 Å²	31	44.7 Å²	44.7	14%	0.136	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	-20.5	172.4	-78.3	-100.6	0	0	0	112.2	R51 I57 C59 S87 R97 A99 C105 D107	R51-F53 HydrophobicContact CB-CE2 4.38Å; R51-F53 WeakPolarHBondContact O-CD2 3.5Å; F53-I57 HydrophobicContact CB-CB 4.34Å; F53-I57 HydrophobicContact CB-CG2 3.9Å; F53-I57 PolarHBondContact N-O 2.98Å; F53-C59 HydrophobicContact CD2-CB 3.79Å; F53-C59 HydrophobicContact CE2-CB 3.75Å; F53-S87 VanDerWaalsContact CE1-C 3.49Å; F53-S87 VanDerWaalsContact CE1-O 3.3Å; F53-S87 WeakPolarHBondContact CE1-O 3.38Å; F53-S87 VanDerWaalsContact CZ-CB 3.47Å; F53-R97 HydrophobicContact CE1-CB 4.09Å; F53-A99 HydrophobicContact CD1-CB 3.84Å; F53-A99 HydrophobicContact CD2-CB 3.97Å; F53-A99 HydrophobicContact CE1-CB 3.52Å; F53-A99 HydrophobicContact CE2-CB 3.68Å; F53-A99 HydrophobicContact CG-CB 4.06Å; F53-A99 VanDerWaalsContact CZ-CA 3.42Å; F53-A99 HydrophobicContact CZ-CB 3.45Å; F53-A99 VanDerWaalsContact CZ-CB 3.45Å; F53-C105 HydrophobicContact CB-CB 4.2Å; F53-C105 HydrophobicContact CD1-CB 4.19Å; F53-C105 HydrophobicContact CG-CB 4.31Å; F53-D107 WeakPolarHBondContact O-CA 3.28Å
54	G	95.8	Very high	94.2	Very high	10 Å²	10	44 Å²	44	10%	0.103	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	176.5	175.2	0	0	0	0	0	109.7	S56 I57 C75 D107	G54-S56 PolarHBondContact O-N 2.95Å; G54-S56 VanDerWaalsContact O-N 3.08Å; G54-I57 PolarHBondContact O-N 3.11Å; G54-C75 VanDerWaalsContact O-CB 3.22Å; G54-C75 WeakPolarHBondContact O-CB 3.3Å; G54-D107 WeakPolarHBondContact CA-O 3.11Å
55	P	96	Very high	94.2	Very high	47 Å²	47	45.8 Å²	45.8	31%	0.305	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-20.1	-174.5	25.5	-35.2	0	0	0	114.1	C75 Q76 D107	P55-C75 CarbonylContact O-C 3.51Å; P55-Q76 VanDerWaalsContact O-CG 3.31Å; P55-Q76 WeakPolarHBondContact O-CG 3.02Å; P55-Q76 PolarHBondContact O-N 3.07Å; P55-D107 WeakPolarHBondContact CD-O 3.27Å
56	S	97	Very high	94.3	Very high	49 Å²	49	47 Å²	47	34%	0.343	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.9	19.8	179	58.3	0	0	0	0	112.9	G54 V67 G68 A72	G54-S56 PolarHBondContact O-N 2.95Å; G54-S56 VanDerWaalsContact O-N 3.08Å; S56-V67 WeakPolarHBondContact O-CA 3.07Å; S56-G68 PolarHBondContact O-N 3.28Å; S56-A72 VanDerWaalsContact C-CB 3.49Å; S56-A72 WeakPolarHBondContact O-CB 3.36Å
57	I	97.7	Very high	94.4	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	117	-176	-56	176.5	0	0	0	110.1	C52 F53 G54 V67	C52-I57 WeakPolarHBondContact CA-O 3.49Å; F53-I57 HydrophobicContact CB-CB 4.34Å; F53-I57 HydrophobicContact CB-CG2 3.9Å; F53-I57 PolarHBondContact N-O 2.98Å; G54-I57 PolarHBondContact O-N 3.11Å; I57-V67 HydrophobicContact CG1-CG1 4.28Å; I57-V67 HydrophobicContact CG1-CG2 4.37Å; I57-V67 HydrophobicContact CG2-CG2 4.34Å
58	C	97.6	Very high	94.6	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	125.6	173	177.6	0	0	0	0	110.4	C44 G45 C65 F66 A72	C44-C58 HydrophobicContact CB-CB 3.82Å; C44-C58 WeakPolarHBondContact CB-SG 3.48Å; C44-C58 WeakPolarHBondContact SG-CA 3.3Å; C44-C58 WeakPolarHBondContact SG-CB 3.33Å; C44-C58 CovalentContact SG-SG 2.02Å; C44-C58 PolarHBondContact SG-SG 2.04Å; G45-C58 PolarHBondContact N-SG 3.46Å; G45-C58 VanDerWaalsContact N-SG 3.38Å; C58-C65 CarbonylContact O-C 3.43Å; C58-C65 WeakPolarHBondContact O-CA 3.32Å; C58-F66 HydrophobicContact CB-CB 4.28Å; C58-F66 PolarHBondContact N-O 3.1Å; C58-F66 WeakPolarHBondContact O-CB 3.04Å; C58-F66 PolarHBondContact O-N 2.95Å; C58-A72 HydrophobicContact CB-CB 3.85Å
59	C	97.3	Very high	94.7	Very high	3 Å²	3	47.7 Å²	47.7	2%	0.02	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	143.3	178	-60.2	0	0	0	0	112	G50 R51 F53 G64 C65 A99 C105	G50-C59 CarbonylContact C-O 3.48Å; G50-C59 WeakPolarHBondContact CA-O 3.05Å; R51-C59 PolarHBondContact N-O 3.26Å; R51-C59 PolarHBondContact O-N 2.02Å; F53-C59 HydrophobicContact CD2-CB 3.79Å; F53-C59 HydrophobicContact CE2-CB 3.75Å; C59-G64 CarbonylContact C-O 3.37Å; C59-G64 WeakPolarHBondContact CA-O 3.19Å; C59-C65 HydrophobicContact CB-CB 4.13Å; C59-C65 WeakPolarHBondContact CB-SG 3.25Å; C59-C65 WeakPolarHBondContact SG-CB 3.28Å; C59-C65 CovalentContact SG-SG 2.04Å; C59-C65 PolarHBondContact SG-SG 2.85Å; C59-A99 HydrophobicContact CB-CB 3.67Å; C59-A99 WeakPolarHBondContact CB-O 3.43Å; C59-A99 VanDerWaalsContact SG-CB 3.52Å; C59-C105 VanDerWaalsContact SG-SG 3.65Å
60	A	92.9	Very high	94.9	Very high	6 Å²	6	44.2 Å²	44.2	5%	0.05	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	139.9	171.3	0	0	0	0	0	109.7	E62 L63 G64	A60-E62 PolarHBondContact O-N 3.04Å; A60-E62 VanDerWaalsContact O-N 3.07Å; A60-L63 HydrophobicContact CB-CB 4.07Å; A60-L63 HydrophobicContact CB-CD1 4.19Å; A60-L63 HydrophobicContact CB-CG 4.27Å; A60-L63 PolarHBondContact O-N 3.46Å; A60-L63 VanDerWaalsContact O-N 3.1Å; A60-G64 PolarHBondContact N-O 3.34Å; A60-G64 PolarHBondContact O-N 2.83Å
61	D	87.9	Confident	94.9	Very high	66 Å²	66	47.5 Å²	47.5	35%	0.353	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.7	-38.9	-177.2	-82.8	1.2	0	0	0	112.9	F120 R123	D61-F120 HydrophobicContact CB-CD1 4.37Å; D61-F120 HydrophobicContact CB-CE1 3.51Å; D61-F120 HydrophobicContact CB-CZ 4.32Å; D61-F120 VanDerWaalsContact OD1-CE1 3.27Å; D61-F120 WeakPolarHBondContact OD1-CE1 3.43Å; D61-F120 VanDerWaalsContact OD1-CZ 3.25Å; D61-F120 WeakPolarHBondContact OD1-CZ 3.43Å; D61-R123 IonicContact OD1-NH1 2.85Å; D61-R123 IonicContact OD2-CZ 3.43Å; D61-R123 IonicContact OD2-NH1 3.96Å; D61-R123 PolarHBondContact OD2-NH1 3.36Å
62	E	84.8	Confident	94.9	Very high	168 Å²	168	43.4 Å²	43.4	79%	0.785	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	-19.4	-177.6	-62.1	179.7	171.4	0	0	114.9	A60	A60-E62 PolarHBondContact O-N 3.04Å; A60-E62 VanDerWaalsContact O-N 3.07Å
63	L	87	Confident	94.8	Very high	83 Å²	83	48.3 Å²	48.3	44%	0.435	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.7	-12.1	-172.8	-58.3	172.3	0	0	0	113.4	P46 A60 F66	P46-L63 HydrophobicContact CB-CD1 4.26Å; P46-L63 HydrophobicContact CG-CD1 4.05Å; A60-L63 HydrophobicContact CB-CB 4.07Å; A60-L63 HydrophobicContact CB-CD1 4.19Å; A60-L63 HydrophobicContact CB-CG 4.27Å; A60-L63 PolarHBondContact O-N 3.46Å; A60-L63 VanDerWaalsContact O-N 3.1Å; L63-F66 HydrophobicContact CB-CE2 4.01Å; L63-F66 HydrophobicContact CB-CZ 4.32Å; L63-F66 HydrophobicContact CD1-CE2 4.41Å
64	G	93.6	Very high	94.8	Very high	23 Å²	23	52.3 Å²	52.3	24%	0.237	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	84.4	-148.4	-171.4	0	0	0	0	0	111.9	C59 A60	C59-G64 CarbonylContact C-O 3.37Å; C59-G64 WeakPolarHBondContact CA-O 3.19Å; A60-G64 PolarHBondContact N-O 3.34Å; A60-G64 PolarHBondContact O-N 2.83Å
65	C	96.8	Very high	94.9	Very high	39 Å²	39	51.9 Å²	51.9	26%	0.264	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	137.3	-176	-71.7	0	0	0	0	111.6	C58 C59 C105	C58-C65 CarbonylContact O-C 3.43Å; C58-C65 WeakPolarHBondContact O-CA 3.32Å; C59-C65 HydrophobicContact CB-CB 4.13Å; C59-C65 WeakPolarHBondContact CB-SG 3.25Å; C59-C65 WeakPolarHBondContact SG-CB 3.28Å; C59-C65 CovalentContact SG-SG 2.04Å; C59-C65 PolarHBondContact SG-SG 2.85Å; C65-C105 VanDerWaalsContact SG-SG 3.61Å
66	F	96.5	Very high	94.9	Very high	48 Å²	48	54.2 Å²	54.2	21%	0.211	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	108.7	178	-65.7	-74.4	0	0	0	108.1	C58 L63 T69 E71	C58-F66 HydrophobicContact CB-CB 4.28Å; C58-F66 PolarHBondContact N-O 3.1Å; C58-F66 WeakPolarHBondContact O-CB 3.04Å; C58-F66 PolarHBondContact O-N 2.95Å; L63-F66 HydrophobicContact CB-CE2 4.01Å; L63-F66 HydrophobicContact CB-CZ 4.32Å; L63-F66 HydrophobicContact CD1-CE2 4.41Å; F66-T69 WeakPolarHBondContact CB-OG1 3.05Å; F66-E71 HydrophobicContact CB-CB 3.91Å; F66-E71 HydrophobicContact CD1-CB 4.19Å; F66-E71 HydrophobicContact CD1-CG 3.94Å; F66-E71 HydrophobicContact CD2-CB 4.03Å; F66-E71 HydrophobicContact CD2-CG 4.22Å; F66-E71 HydrophobicContact CE1-CG 4.13Å; F66-E71 HydrophobicContact CE2-CG 4.39Å; F66-E71 HydrophobicContact CG-CB 3.79Å; F66-E71 HydrophobicContact CG-CG 4Å; F66-E71 HydrophobicContact CZ-CG 4.35Å
67	V	96.7	Very high	94.9	Very high	74 Å²	74	56.5 Å²	56.5	45%	0.448	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	117.3	-176.2	-178.1	0	0	0	0	109.1	S56 I57 T69	S56-V67 WeakPolarHBondContact O-CA 3.07Å; I57-V67 HydrophobicContact CG1-CG1 4.28Å; I57-V67 HydrophobicContact CG1-CG2 4.37Å; I57-V67 HydrophobicContact CG2-CG2 4.34Å; V67-T69 VanDerWaalsContact C-N 3.25Å; V67-T69 PolarHBondContact O-N 2.89Å
68	G	95.5	Very high	94.8	Very high	65 Å²	65	57.5 Å²	57.5	67%	0.67	32%	0.321	S	S	*	.	S	Bend	trans	69.7	17.3	-179.8	0	0	0	0	0	114.8	S56	S56-G68 PolarHBondContact O-N 3.28Å
69	T	96.3	Very high	94.5	Very high	54 Å²	54	62.9 Å²	62.9	33%	0.331	35%	0.349	S	S	.	.	S	Bend	trans	-102.6	174.8	-180	71.2	0	0	0	0	112	F66 V67 E71 A72	F66-T69 WeakPolarHBondContact CB-OG1 3.05Å; V67-T69 VanDerWaalsContact C-N 3.25Å; V67-T69 PolarHBondContact O-N 2.89Å; T69-E71 WeakPolarHBondContact CB-OE2 3.16Å; T69-E71 PolarHBondContact O-N 3.39Å; T69-E71 PolarHBondContact OG1-OE2 2.8Å; T69-A72 PolarHBondContact O-N 2.88Å; T69-A72 VanDerWaalsContact O-N 3.15Å
70	A	96.4	Very high	94.4	Very high	72 Å²	72	72 Å²	72	60%	0.595	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-60.2	-32.6	-179.7	0	0	0	0	0	112.9	A72 L73	A70-A72 PolarHBondContact O-N 3.42Å; A70-L73 HydrophobicContact CB-CD1 4.35Å; A70-L73 WeakPolarHBondContact O-CB 3.02Å; A70-L73 WeakPolarHBondContact O-CG 3.28Å; A70-L73 PolarHBondContact O-N 3.5Å
71	E	96	Very high	94.4	Very high	69 Å²	69	75.1 Å²	75.1	32%	0.322	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	-61.8	-26.3	178.9	-66.2	74.8	-158.7	0	0	113	G45 F66 T69	G45-E71 PolarHBondContact N-O 3.43Å; F66-E71 HydrophobicContact CB-CB 3.91Å; F66-E71 HydrophobicContact CD1-CB 4.19Å; F66-E71 HydrophobicContact CD1-CG 3.94Å; F66-E71 HydrophobicContact CD2-CB 4.03Å; F66-E71 HydrophobicContact CD2-CG 4.22Å; F66-E71 HydrophobicContact CE1-CG 4.13Å; F66-E71 HydrophobicContact CE2-CG 4.39Å; F66-E71 HydrophobicContact CG-CB 3.79Å; F66-E71 HydrophobicContact CG-CG 4Å; F66-E71 HydrophobicContact CZ-CG 4.35Å; T69-E71 WeakPolarHBondContact CB-OE2 3.16Å; T69-E71 PolarHBondContact O-N 3.39Å; T69-E71 PolarHBondContact OG1-OE2 2.8Å
72	A	97	Very high	94.5	Very high	3 Å²	3	77.9 Å²	77.9	3%	0.025	42%	0.422	C	S	.	.	G	3₁₀ helix	trans	-96.4	-3.3	-178.8	0	0	0	0	0	114	S56 C58 T69 A70 R74 C75	S56-A72 VanDerWaalsContact C-CB 3.49Å; S56-A72 WeakPolarHBondContact O-CB 3.36Å; C58-A72 HydrophobicContact CB-CB 3.85Å; T69-A72 PolarHBondContact O-N 2.88Å; T69-A72 VanDerWaalsContact O-N 3.15Å; A70-A72 PolarHBondContact O-N 3.42Å; A72-R74 PolarHBondContact O-N 3.24Å; A72-C75 WeakPolarHBondContact O-CB 3.05Å; A72-C75 PolarHBondContact O-N 3.22Å
73	L	96.2	Very high	94.7	Very high	105 Å²	105	72.5 Å²	72.5	55%	0.55	40%	0.402	S	S	.	.	G	3₁₀ helix	trans	-57.3	-37.6	-178.1	-74.3	173	0	0	0	112.8	A70 C75 Q76	A70-L73 HydrophobicContact CB-CD1 4.35Å; A70-L73 WeakPolarHBondContact O-CB 3.02Å; A70-L73 WeakPolarHBondContact O-CG 3.28Å; A70-L73 PolarHBondContact O-N 3.5Å; L73-C75 PolarHBondContact O-N 3.37Å; L73-Q76 WeakPolarHBondContact O-CB 3.28Å; L73-Q76 WeakPolarHBondContact O-CG 3.31Å; L73-Q76 PolarHBondContact O-N 2.8Å; L73-Q76 VanDerWaalsContact O-N 3.17Å
74	R	96.2	Very high	94.8	Very high	115 Å²	115	71.8 Å²	71.8	43%	0.434	40%	0.403	S	S	.	.	G	3₁₀ helix	trans	-62	-24.6	177.2	-169.2	171.2	-179	-173	5.3	112.9	P43 A72 Q76 E77	P43-R74 WeakPolarHBondContact O-CD 3.4Å; P43-R74 PolarHBondContact O-NH1 3Å; A72-R74 PolarHBondContact O-N 3.24Å; R74-Q76 PolarHBondContact O-N 2.88Å; R74-E77 IonicContact NE-OE2 2.84Å; R74-E77 VanDerWaalsContact O-CB 3.23Å; R74-E77 WeakPolarHBondContact O-CB 3.17Å; R74-E77 WeakPolarHBondContact O-CG 3.46Å; R74-E77 PolarHBondContact O-N 2.99Å
75	C	97.4	Very high	94.8	Very high	0 Å²	0	72.4 Å²	72.4	0%	0	40%	0.403	C	S	.	.	G	3₁₀ helix	trans	-68.4	-16.2	179.4	-58.9	0	0	0	0	113.3	C52 G54 P55 A72 L73 E77 E78	C52-C75 WeakPolarHBondContact CA-SG 3.49Å; C52-C75 HydrophobicContact CB-CB 3.59Å; C52-C75 WeakPolarHBondContact CB-SG 3.39Å; C52-C75 WeakPolarHBondContact SG-CA 3.42Å; C52-C75 WeakPolarHBondContact SG-CB 3.41Å; C52-C75 CovalentContact SG-SG 2.04Å; C52-C75 PolarHBondContact SG-SG 3.36Å; G54-C75 VanDerWaalsContact O-CB 3.22Å; G54-C75 WeakPolarHBondContact O-CB 3.3Å; P55-C75 CarbonylContact O-C 3.51Å; A72-C75 WeakPolarHBondContact O-CB 3.05Å; A72-C75 PolarHBondContact O-N 3.22Å; L73-C75 PolarHBondContact O-N 3.37Å; C75-E77 PolarHBondContact O-N 2.95Å; C75-E78 VanDerWaalsContact O-CB 3.29Å; C75-E78 WeakPolarHBondContact O-CB 3.3Å; C75-E78 PolarHBondContact O-N 2.04Å
76	Q	96.5	Very high	94.7	Very high	96 Å²	96	74.5 Å²	74.5	45%	0.449	41%	0.409	S	S	.	.	G	3₁₀ helix	trans	-65.2	-26.1	170.8	-62.3	-178.8	17.3	0	0	112.2	P55 L73 R74 E78 N79	P55-Q76 VanDerWaalsContact O-CG 3.31Å; P55-Q76 WeakPolarHBondContact O-CG 3.02Å; P55-Q76 PolarHBondContact O-N 3.07Å; L73-Q76 WeakPolarHBondContact O-CB 3.28Å; L73-Q76 WeakPolarHBondContact O-CG 3.31Å; L73-Q76 PolarHBondContact O-N 2.8Å; L73-Q76 VanDerWaalsContact O-N 3.17Å; R74-Q76 PolarHBondContact O-N 2.88Å; Q76-E78 PolarHBondContact O-N 2.04Å; Q76-N79 WeakPolarHBondContact O-CB 3.06Å; Q76-N79 PolarHBondContact O-N 2.78Å; Q76-N79 VanDerWaalsContact O-N 3.16Å
77	E	95.8	Very high	94.5	Very high	97 Å²	97	72.7 Å²	72.7	45%	0.453	40%	0.403	S	S	.	.	G	3₁₀ helix	trans	-61	-27.7	176	-64.4	174.9	-173.3	0	0	111.8	L42 R74 C75 N79 Y80	L42-E77 HydrophobicContact CD1-CB 3.6Å; R74-E77 IonicContact NE-OE2 2.84Å; R74-E77 VanDerWaalsContact O-CB 3.23Å; R74-E77 WeakPolarHBondContact O-CB 3.17Å; R74-E77 WeakPolarHBondContact O-CG 3.46Å; R74-E77 PolarHBondContact O-N 2.99Å; C75-E77 PolarHBondContact O-N 2.95Å; E77-N79 PolarHBondContact O-N 3.42Å; E77-Y80 PolarHBondContact O-N 2.94Å; E77-Y80 VanDerWaalsContact O-N 3.13Å
78	E	95.4	Very high	94.2	Very high	22 Å²	22	70 Å²	70	10%	0.103	39%	0.39	C	S	.	.	G	3₁₀ helix	trans	-58	-33.4	176.6	-77	-67.8	175.7	0	0	112.8	R39 C41 L42 C52 C75 Q76 Y80 L81 C85	R39-E78 IonicContact CZ-OE1 3.2Å; R39-E78 IonicContact CZ-OE2 3.61Å; R39-E78 VanDerWaalsContact NH1-CD 3.3Å; R39-E78 IonicContact NH1-OE1 2.9Å; R39-E78 PolarHBondContact NH1-OE1 3.44Å; R39-E78 IonicContact NH1-OE2 3.87Å; R39-E78 PolarHBondContact NH1-OE2 3.45Å; R39-E78 IonicContact NH2-OE1 3.63Å; R39-E78 IonicContact NH2-OE2 3.99Å; R39-E78 PolarHBondContact NH2-OE2 3.16Å; C41-E78 WeakPolarHBondContact CA-OE1 3.36Å; C41-E78 VanDerWaalsContact CB-OE1 3.3Å; C41-E78 WeakPolarHBondContact CB-OE1 3.34Å; L42-E78 HydrophobicContact CB-CG 4.4Å; L42-E78 HydrophobicContact CD1-CG 4.07Å; L42-E78 HydrophobicContact CG-CG 4.3Å; L42-E78 VanDerWaalsContact CG-OE1 3.31Å; L42-E78 WeakPolarHBondContact CG-OE1 3.29Å; L42-E78 PolarHBondContact N-OE1 3.23Å; C52-E78 HydrophobicContact CB-CG 4.25Å; C75-E78 VanDerWaalsContact O-CB 3.29Å; C75-E78 WeakPolarHBondContact O-CB 3.3Å; C75-E78 PolarHBondContact O-N 2.04Å; Q76-E78 PolarHBondContact O-N 2.04Å; E78-Y80 PolarHBondContact O-N 2.8Å; E78-Y80 VanDerWaalsContact O-N 3.14Å; E78-L81 PolarHBondContact O-N 2.93Å; E78-L81 VanDerWaalsContact O-N 3.09Å; E78-C85 VanDerWaalsContact CD-SG 3.56Å; E78-C85 PolarHBondContact OE2-SG 2.7Å
79	N	93.3	Very high	93.7	Very high	113 Å²	113	73.5 Å²	73.5	60%	0.604	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-65.1	-19.5	-178.9	-66.9	-25.9	0	0	0	113.2	Q76 E77	Q76-N79 WeakPolarHBondContact O-CB 3.06Å; Q76-N79 PolarHBondContact O-N 2.78Å; Q76-N79 VanDerWaalsContact O-N 3.16Å; E77-N79 PolarHBondContact O-N 3.42Å
80	Y	94.4	Very high	93.5	Very high	194 Å²	194	74.5 Å²	74.5	76%	0.761	39%	0.388	S	S	*	.	G	3₁₀ helix	trans	-97.3	-7.9	179.6	-55.7	-74.5	0	0	0	112.6	E77 E78	E77-Y80 PolarHBondContact O-N 2.94Å; E77-Y80 VanDerWaalsContact O-N 3.13Å; E78-Y80 PolarHBondContact O-N 2.8Å; E78-Y80 VanDerWaalsContact O-N 3.14Å
81	L	92.8	Very high	93.3	Very high	72 Å²	72	74.1 Å²	74.1	38%	0.377	39%	0.386	S	S	.	.			trans	-85.1	123.6	179.9	-66.2	179.7	0	0	0	110.5	R39 L42 E78 S83	R39-L81 VanDerWaalsContact NH2-CB 3.32Å; L42-L81 HydrophobicContact CD1-CD1 3.99Å; L42-L81 HydrophobicContact CD2-CD1 4.4Å; L42-L81 HydrophobicContact CG-CD1 4.12Å; E78-L81 PolarHBondContact O-N 2.93Å; E78-L81 VanDerWaalsContact O-N 3.09Å; L81-S83 PolarHBondContact O-N 3.44Å
82	P	89.5	Confident	93.3	Very high	123 Å²	123	71.1 Å²	71.1	80%	0.799	37%	0.372	S	S	*	.	S	Bend	trans	-75.1	-12.6	-176.4	30.1	-36.2	0	0	0	113.8
83	S	88.7	Confident	93	Very high	55 Å²	55	74 Å²	74	39%	0.385	40%	0.402	S	S	.	.	S	Bend	trans	-93.1	133.6	179.4	51.5	0	0	0	0	110.6	R39 L81	R39-S83 WeakPolarHBondContact CD-OG 3.16Å; R39-S83 PolarHBondContact NE-O 2.98Å; R39-S83 VanDerWaalsContact NE-O 3.15Å; R39-S83 PolarHBondContact NE-OG 3.48Å; R39-S83 PolarHBondContact NH2-O 2.05Å; L81-S83 PolarHBondContact O-N 3.44Å
84	P	90.4	Very high	92.6	Very high	68 Å²	68	74.4 Å²	74.4	44%	0.442	41%	0.413	S	S	.	.			trans	-68.6	145.7	177	29.6	-35	0	0	0	110.8	M33 L38 R39	M33-P84 HydrophobicContact CE-CB 3.54Å; M33-P84 HydrophobicContact CE-CG 3.43Å; M33-P84 VanDerWaalsContact CE-CG 3.43Å; L38-P84 HydrophobicContact CD2-CB 4.25Å; L38-P84 HydrophobicContact CG-CB 4.4Å; L38-P84 HydrophobicContact CG-CG 4.37Å; R39-P84 WeakPolarHBondContact CG-O 3.26Å
85	C	93.6	Very high	92.3	Very high	36 Å²	36	72.4 Å²	72.4	24%	0.243	43%	0.429	C	S	.	.	B	Isolated β-bridge	trans	-127	162.7	176.4	77.9	0	0	0	0	111.9	R39 C41 E78	R39-C85 HydrophobicContact CG-CB 3.66Å; R39-C85 VanDerWaalsContact CZ-CB 3.43Å; R39-C85 VanDerWaalsContact NH1-CB 3.3Å; R39-C85 CarbonylContact O-C 3.56Å; R39-C85 WeakPolarHBondContact O-CA 3.27Å; R39-C85 WeakPolarHBondContact O-CB 3.12Å; C41-C85 VanDerWaalsContact CA-SG 3.56Å; C41-C85 HydrophobicContact CB-CB 3.88Å; C41-C85 WeakPolarHBondContact CB-SG 3.48Å; C41-C85 VanDerWaalsContact SG-C 3.5Å; C41-C85 WeakPolarHBondContact SG-CB 3.03Å; C41-C85 CovalentContact SG-SG 2.05Å; C41-C85 PolarHBondContact SG-SG 2.94Å; E78-C85 VanDerWaalsContact CD-SG 3.56Å; E78-C85 PolarHBondContact OE2-SG 2.7Å
86	Q	93.2	Very high	92.2	Very high	83 Å²	83	72.6 Å²	72.6	39%	0.388	43%	0.431	S	S	.	.			trans	-147.6	130.7	174.4	-173.9	166.3	85.6	0	0	111.4	L38 R39 C41 R97	L38-Q86 HydrophobicContact CB-CB 4.12Å; L38-Q86 HydrophobicContact CD2-CB 3.75Å; R39-Q86 PolarHBondContact O-N 3.42Å; C41-Q86 PolarHBondContact SG-N 3.16Å; C41-Q86 VanDerWaalsContact SG-N 3.44Å; Q86-R97 VanDerWaalsContact CG-NE 3.33Å; Q86-R97 VanDerWaalsContact NE2-NH2 3.18Å
87	S	92.9	Very high	92.1	Very high	11 Å²	11	70.8 Å²	70.8	8%	0.077	42%	0.42	C	S	.	.			trans	-109.4	150.1	172.3	-62.3	0	0	0	0	110.2	C41 R51 C52 F53 R97	C41-S87 VanDerWaalsContact CB-OG 3.28Å; C41-S87 WeakPolarHBondContact CB-OG 3.36Å; C41-S87 PolarHBondContact SG-OG 3.16Å; R51-S87 WeakPolarHBondContact CB-OG 3.49Å; C52-S87 VanDerWaalsContact O-CB 3.28Å; C52-S87 WeakPolarHBondContact O-CB 3.01Å; C52-S87 PolarHBondContact O-OG 3.41Å; F53-S87 VanDerWaalsContact CE1-C 3.49Å; F53-S87 VanDerWaalsContact CE1-O 3.3Å; F53-S87 WeakPolarHBondContact CE1-O 3.38Å; F53-S87 VanDerWaalsContact CZ-CB 3.47Å; S87-R97 WeakPolarHBondContact O-CD 3.09Å
88	G	90.8	Very high	92.1	Very high	18 Å²	18	66.7 Å²	66.7	19%	0.186	40%	0.402	C	S	.	.			trans	80.7	135.7	-178.2	0	0	0	0	0	113.3	R97	G88-R97 WeakPolarHBondContact O-CD 3.41Å; G88-R97 PolarHBondContact O-NH1 2.67Å
89	Q	84.7	Confident	92	Very high	137 Å²	137	65.7 Å²	65.7	64%	0.64	40%	0.398	S	S	*	.	S	Bend	trans	-92.1	-44.4	-174.6	-66.1	-66.3	-40.9	0	0	112.1	R97	Q89-R97 PolarHBondContact O-NH1 2.94Å
90	K	91.6	Very high	92.1	Very high	75 Å²	75	60.4 Å²	60.4	33%	0.326	37%	0.37	S	S	.	.	S	Bend	trans	-87	124.2	-179.1	-173.7	176.4	178.6	-179.1	0	109.5	R97 C98 E115 E118	K90-R97 WeakPolarHBondContact O-CA 2.99Å; K90-C98 HydrophobicContact CB-CB 4.28Å; K90-C98 PolarHBondContact O-N 2.75Å; K90-E115 PolarHBondContact NZ-O 2.97Å; K90-E118 IonicContact NZ-OE2 2.63Å; K90-E118 PolarHBondContact NZ-OE2 3.32Å
91	A	93.4	Very high	92	Very high	65 Å²	65	56 Å²	56	54%	0.537	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	149.8	170.2	0	0	0	0	0	110.3	G96	A91-G96 WeakPolarHBondContact CA-O 3.48Å
92	C	94.7	Very high	92	Very high	6 Å²	6	52.6 Å²	52.6	4%	0.041	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	154.4	177.9	53.8	0	0	0	0	110.3	G96 R97 C98 C104 E113 C116	C92-G96 PolarHBondContact N-O 3.2Å; C92-G96 CarbonylContact O-C 3.51Å; C92-G96 VanDerWaalsContact O-C 3.28Å; C92-G96 VanDerWaalsContact O-CA 3.25Å; C92-G96 WeakPolarHBondContact O-CA 2.94Å; C92-G96 PolarHBondContact O-N 2.02Å; C92-G96 VanDerWaalsContact O-O 3.05Å; C92-R97 WeakPolarHBondContact SG-CA 3.47Å; C92-R97 PolarHBondContact SG-N 3.38Å; C92-C98 PolarHBondContact SG-N 2.94Å; C92-C98 VanDerWaalsContact SG-N 3.36Å; C92-C104 HydrophobicContact CB-CB 3.87Å; C92-C104 WeakPolarHBondContact CB-SG 3.46Å; C92-C104 PolarHBondContact O-SG 3.23Å; C92-C104 VanDerWaalsContact O-SG 3.37Å; C92-C104 WeakPolarHBondContact SG-CA 3.49Å; C92-C104 WeakPolarHBondContact SG-CB 3.29Å; C92-C104 CovalentContact SG-SG 2.02Å; C92-C104 PolarHBondContact SG-SG 2.96Å; C92-E113 HydrophobicContact CB-CG 4.35Å; C92-C116 VanDerWaalsContact SG-SG 3.64Å
93	G	90.7	Very high	92.3	Very high	63 Å²	63	48.2 Å²	48.2	65%	0.649	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	55	-148.6	177.4	0	0	0	0	0	114.4	G95	G93-G95 PolarHBondContact O-N 3.42Å
94	S	88.3	Confident	92.6	Very high	113 Å²	113	46.1 Å²	46.1	79%	0.79	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	75.9	179.5	56.8	0	0	0	0	111.8	G96	S94-G96 VanDerWaalsContact C-N 3.35Å
95	G	90.3	Very high	93	Very high	73 Å²	73	43 Å²	43	75%	0.753	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.3	9.8	177.6	0	0	0	0	0	114.9	G93	G93-G95 PolarHBondContact O-N 3.42Å
96	G	94.4	Very high	93	Very high	5 Å²	5	42.9 Å²	42.9	5%	0.052	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	173.7	175.2	0	0	0	0	0	113.2	A91 C92 S94 C105	A91-G96 WeakPolarHBondContact CA-O 3.48Å; C92-G96 PolarHBondContact N-O 3.2Å; C92-G96 CarbonylContact O-C 3.51Å; C92-G96 VanDerWaalsContact O-C 3.28Å; C92-G96 VanDerWaalsContact O-CA 3.25Å; C92-G96 WeakPolarHBondContact O-CA 2.94Å; C92-G96 PolarHBondContact O-N 2.02Å; C92-G96 VanDerWaalsContact O-O 3.05Å; S94-G96 VanDerWaalsContact C-N 3.35Å; G96-C105 CarbonylContact C-O 3.54Å; G96-C105 WeakPolarHBondContact CA-O 3.47Å
97	R	95.1	Very high	93.1	Very high	58 Å²	58	43.6 Å²	43.6	22%	0.219	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	146.9	176.3	-68.1	-177	166.4	-93.3	-7.1	110.8	F53 Q86 S87 G88 Q89 K90 C92 A99 C105	F53-R97 HydrophobicContact CE1-CB 4.09Å; Q86-R97 VanDerWaalsContact CG-NE 3.33Å; Q86-R97 VanDerWaalsContact NE2-NH2 3.18Å; S87-R97 WeakPolarHBondContact O-CD 3.09Å; G88-R97 WeakPolarHBondContact O-CD 3.41Å; G88-R97 PolarHBondContact O-NH1 2.67Å; Q89-R97 PolarHBondContact O-NH1 2.94Å; K90-R97 WeakPolarHBondContact O-CA 2.99Å; C92-R97 WeakPolarHBondContact SG-CA 3.47Å; C92-R97 PolarHBondContact SG-N 3.38Å; R97-A99 PolarHBondContact O-N 3.39Å; R97-A99 VanDerWaalsContact O-N 3.11Å; R97-C105 PolarHBondContact N-O 2.85Å; R97-C105 PolarHBondContact O-N 2.74Å
98	C	95.4	Very high	93.1	Very high	10 Å²	10	50.4 Å²	50.4	7%	0.068	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	114.3	178.5	-65	0	0	0	0	109.6	K90 C92 V103 C116	K90-C98 HydrophobicContact CB-CB 4.28Å; K90-C98 PolarHBondContact O-N 2.75Å; C92-C98 PolarHBondContact SG-N 2.94Å; C92-C98 VanDerWaalsContact SG-N 3.36Å; C98-V103 WeakPolarHBondContact CA-O 3.36Å; C98-C116 WeakPolarHBondContact CA-SG 3.44Å; C98-C116 HydrophobicContact CB-CB 3.64Å; C98-C116 WeakPolarHBondContact CB-SG 3.43Å; C98-C116 WeakPolarHBondContact SG-CA 3.49Å; C98-C116 WeakPolarHBondContact SG-CB 3.45Å; C98-C116 CovalentContact SG-SG 2.04Å; C98-C116 PolarHBondContact SG-SG 3.21Å
99	A	94.8	Very high	93.3	Very high	2 Å²	2	52.1 Å²	52.1	2%	0.017	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	-28.5	-169.1	0	0	0	0	0	113	F53 C59 R97 V103 C105	F53-A99 HydrophobicContact CD1-CB 3.84Å; F53-A99 HydrophobicContact CD2-CB 3.97Å; F53-A99 HydrophobicContact CE1-CB 3.52Å; F53-A99 HydrophobicContact CE2-CB 3.68Å; F53-A99 HydrophobicContact CG-CB 4.06Å; F53-A99 VanDerWaalsContact CZ-CA 3.42Å; F53-A99 HydrophobicContact CZ-CB 3.45Å; F53-A99 VanDerWaalsContact CZ-CB 3.45Å; C59-A99 HydrophobicContact CB-CB 3.67Å; C59-A99 WeakPolarHBondContact CB-O 3.43Å; C59-A99 VanDerWaalsContact SG-CB 3.52Å; R97-A99 PolarHBondContact O-N 3.39Å; R97-A99 VanDerWaalsContact O-N 3.11Å; A99-V103 PolarHBondContact N-O 2.95Å; A99-C105 HydrophobicContact CB-CB 3.91Å; A99-C105 VanDerWaalsContact CB-SG 3.53Å
100	A	93.6	Very high	93.9	Very high	2 Å²	2	47.4 Å²	47.4	2%	0.017	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	178.7	172.8	0	0	0	0	0	109.9	G102 V103 F120	A100-G102 PolarHBondContact O-N 2.55Å; A100-V103 HydrophobicContact CB-CB 4.23Å; A100-V103 HydrophobicContact CB-CG2 4.38Å; A100-V103 PolarHBondContact O-N 2.95Å; A100-F120 VanDerWaalsContact C-CE2 3.47Å; A100-F120 WeakPolarHBondContact O-CE2 3.5Å
101	F	92.8	Very high	94.1	Very high	100 Å²	100	48.2 Å²	48.2	44%	0.439	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	107.3	-179.1	-177.6	-99.8	0	0	0	111.9	V103 R117 F120	F101-V103 VanDerWaalsContact C-N 3.33Å; F101-R117 HydrophobicContact CD1-CG 4.39Å; F101-R117 HydrophobicContact CD2-CB 4.46Å; F101-R117 HydrophobicContact CD2-CG 4.49Å; F101-R117 HydrophobicContact CE1-CG 3.96Å; F101-R117 HydrophobicContact CE2-CB 3.83Å; F101-R117 HydrophobicContact CE2-CG 4.07Å; F101-R117 HydrophobicContact CZ-CB 3.9Å; F101-R117 HydrophobicContact CZ-CG 3.79Å; F101-F120 HydrophobicContact CB-CD1 4.35Å; F101-F120 HydrophobicContact CB-CE1 4.48Å; F101-F120 HydrophobicContact CB-CG 4.36Å; F101-F120 HydrophobicContact CD2-CB 3.73Å; F101-F120 HydrophobicContact CD2-CD2 4.25Å; F101-F120 AromaticContact CD2-CG 3.93Å; F101-F120 HydrophobicContact CD2-CG 3.93Å; F101-F120 HydrophobicContact CE2-CB 4.31Å
102	G	93.6	Very high	94.1	Very high	2 Å²	2	50.1 Å²	50.1	2%	0.021	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.8	21.1	-178.6	0	0	0	0	0	115.1	A100 T112 E113 C116	A100-G102 PolarHBondContact O-N 2.55Å; G102-T112 CarbonylContact O-C 3.28Å; G102-T112 WeakPolarHBondContact O-CA 3.21Å; G102-T112 WeakPolarHBondContact O-CG2 3.39Å; G102-E113 CarbonylContact C-O 3.58Å; G102-E113 WeakPolarHBondContact CA-O 3.31Å; G102-E113 PolarHBondContact O-N 2.63Å; G102-C116 PolarHBondContact N-O 3.19Å
103	V	95.2	Very high	94.1	Very high	30 Å²	30	52.2 Å²	52.2	18%	0.182	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	126	178	-176	0	0	0	0	110.2	C98 A99 A100 F101 C110	C98-V103 WeakPolarHBondContact CA-O 3.36Å; A99-V103 PolarHBondContact N-O 2.95Å; A100-V103 HydrophobicContact CB-CB 4.23Å; A100-V103 HydrophobicContact CB-CG2 4.38Å; A100-V103 PolarHBondContact O-N 2.95Å; F101-V103 VanDerWaalsContact C-N 3.33Å; V103-C110 HydrophobicContact CG1-CB 3.97Å
104	C	96	Very high	94.1	Very high	11 Å²	11	53.1 Å²	53.1	7%	0.074	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	127.9	172.8	-174.2	0	0	0	0	109.8	C92 C110 V111 E113	C92-C104 HydrophobicContact CB-CB 3.87Å; C92-C104 WeakPolarHBondContact CB-SG 3.46Å; C92-C104 PolarHBondContact O-SG 3.23Å; C92-C104 VanDerWaalsContact O-SG 3.37Å; C92-C104 WeakPolarHBondContact SG-CA 3.49Å; C92-C104 WeakPolarHBondContact SG-CB 3.29Å; C92-C104 CovalentContact SG-SG 2.02Å; C92-C104 PolarHBondContact SG-SG 2.96Å; C104-C110 CarbonylContact O-C 3.59Å; C104-C110 VanDerWaalsContact O-CA 3.28Å; C104-C110 WeakPolarHBondContact O-CA 3.22Å; C104-V111 PolarHBondContact N-O 2.94Å; C104-V111 PolarHBondContact O-N 2.7Å; C104-E113 HydrophobicContact CB-CB 3.59Å; C104-E113 HydrophobicContact CB-CG 4.17Å
105	C	97	Very high	94.2	Very high	2 Å²	2	52.3 Å²	52.3	1%	0.014	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	138.6	176.4	-58.4	0	0	0	0	111.4	F53 C59 C65 G96 R97 A99 S109 C110	F53-C105 HydrophobicContact CB-CB 4.2Å; F53-C105 HydrophobicContact CD1-CB 4.19Å; F53-C105 HydrophobicContact CG-CB 4.31Å; C59-C105 VanDerWaalsContact SG-SG 3.65Å; C65-C105 VanDerWaalsContact SG-SG 3.61Å; G96-C105 CarbonylContact C-O 3.54Å; G96-C105 WeakPolarHBondContact CA-O 3.47Å; R97-C105 PolarHBondContact N-O 2.85Å; R97-C105 PolarHBondContact O-N 2.74Å; A99-C105 HydrophobicContact CB-CB 3.91Å; A99-C105 VanDerWaalsContact CB-SG 3.53Å; C105-S109 CarbonylContact C-O 3.58Å; C105-S109 VanDerWaalsContact CA-O 3.28Å; C105-S109 WeakPolarHBondContact CA-O 3.41Å; C105-C110 HydrophobicContact CB-CB 4.11Å; C105-C110 WeakPolarHBondContact CB-SG 3.45Å; C105-C110 WeakPolarHBondContact SG-CB 3.23Å; C105-C110 CovalentContact SG-SG 2.04Å; C105-C110 PolarHBondContact SG-SG 3.48Å
106	N	94.9	Very high	94.3	Very high	34 Å²	34	48.9 Å²	48.9	18%	0.182	27%	0.266	C	S	.	.			trans	-98.5	-167.5	157.7	64.9	1.5	0	0	0	109.3	E108 S109	N106-E108 PolarHBondContact O-N 2.84Å; N106-E108 PolarHBondContact OD1-N 2.69Å; N106-S109 PolarHBondContact N-O 2.9Å; N106-S109 WeakPolarHBondContact OD1-CA 2.98Å; N106-S109 PolarHBondContact OD1-N 3.15Å; N106-S109 PolarHBondContact OD1-O 3.41Å; N106-S109 PolarHBondContact OD1-OG 2.96Å
107	D	94.2	Very high	94.1	Very high	99 Å²	99	54.5 Å²	54.5	53%	0.529	29%	0.286	S	S	.	.	S	Bend	trans	-71.3	-13.7	179.2	55.4	-35.6	0	0	0	114	F53 G54 P55	F53-D107 WeakPolarHBondContact O-CA 3.28Å; G54-D107 WeakPolarHBondContact CA-O 3.11Å; P55-D107 WeakPolarHBondContact CD-O 3.27Å
108	E	93.8	Very high	93	Very high	154 Å²	154	58.1 Å²	58.1	72%	0.72	31%	0.305	S	S	*	.	S	Bend	trans	-114.4	-30.7	-175.3	-60.5	-176.5	156.3	0	0	114	N106	N106-E108 PolarHBondContact O-N 2.84Å; N106-E108 PolarHBondContact OD1-N 2.69Å
109	S	95.1	Very high	91.4	Very high	53 Å²	53	59 Å²	59	37%	0.371	32%	0.316	S	S	.	.			trans	-152.8	161	-167.6	70.9	0	0	0	0	113.1	C105 N106	C105-S109 CarbonylContact C-O 3.58Å; C105-S109 VanDerWaalsContact CA-O 3.28Å; C105-S109 WeakPolarHBondContact CA-O 3.41Å; N106-S109 PolarHBondContact N-O 2.9Å; N106-S109 WeakPolarHBondContact OD1-CA 2.98Å; N106-S109 PolarHBondContact OD1-N 3.15Å; N106-S109 PolarHBondContact OD1-O 3.41Å; N106-S109 PolarHBondContact OD1-OG 2.96Å
110	C	96.4	Very high	89.7	Confident	38 Å²	38	60.3 Å²	60.3	26%	0.257	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	139.3	172.7	-64.5	0	0	0	0	110.2	V103 C104 C105	V103-C110 HydrophobicContact CG1-CB 3.97Å; C104-C110 CarbonylContact O-C 3.59Å; C104-C110 VanDerWaalsContact O-CA 3.28Å; C104-C110 WeakPolarHBondContact O-CA 3.22Å; C105-C110 HydrophobicContact CB-CB 4.11Å; C105-C110 WeakPolarHBondContact CB-SG 3.45Å; C105-C110 WeakPolarHBondContact SG-CB 3.23Å; C105-C110 CovalentContact SG-SG 2.04Å; C105-C110 PolarHBondContact SG-SG 3.48Å
111	V	96.3	Very high	87.8	Confident	92 Å²	92	65.6 Å²	65.6	56%	0.558	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.2	144.9	178.7	-175.9	0	0	0	0	109.1	C104 E113	C104-V111 PolarHBondContact N-O 2.94Å; C104-V111 PolarHBondContact O-N 2.7Å; V111-E113 PolarHBondContact O-N 3.22Å
112	T	94.5	Very high	85.9	Confident	105 Å²	105	70.8 Å²	70.8	64%	0.644	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.7	121.3	172.5	-54.8	0	0	0	0	109.5	G102	G102-T112 CarbonylContact O-C 3.28Å; G102-T112 WeakPolarHBondContact O-CA 3.21Å; G102-T112 WeakPolarHBondContact O-CG2 3.39Å
113	E	93.6	Very high	84	Confident	51 Å²	51	75.9 Å²	75.9	24%	0.238	38%	0.381	C	S	.	.			trans	-132.4	116.5	-175.2	-172.8	62.9	-117.4	0	0	110	C92 G102 C104 V111 E115 C116	C92-E113 HydrophobicContact CB-CG 4.35Å; G102-E113 CarbonylContact C-O 3.58Å; G102-E113 WeakPolarHBondContact CA-O 3.31Å; G102-E113 PolarHBondContact O-N 2.63Å; C104-E113 HydrophobicContact CB-CB 3.59Å; C104-E113 HydrophobicContact CB-CG 4.17Å; V111-E113 PolarHBondContact O-N 3.22Å; E113-E115 VanDerWaalsContact C-N 3.25Å; E113-E115 HydrophobicContact CG-CB 4.19Å; E113-E115 PolarHBondContact O-N 2.04Å; E113-C116 PolarHBondContact O-N 3.2Å; E113-C116 VanDerWaalsContact O-N 3.14Å
114	P	91.6	Very high	81.9	Confident	81 Å²	81	77.1 Å²	77.1	53%	0.526	39%	0.394	S	S	.	.	G	3₁₀ helix	trans	-60.1	-32.5	-177.8	22.8	-35.2	0	0	0	113.5	C116 R117	P114-C116 PolarHBondContact O-N 2.92Å; P114-C116 VanDerWaalsContact O-N 3.11Å; P114-R117 WeakPolarHBondContact O-CB 3.31Å; P114-R117 PolarHBondContact O-N 3.04Å
115	E	90.1	Very high	79.7	Confident	97 Å²	97	85.9 Å²	85.9	45%	0.453	43%	0.426	S	S	.	.	G	3₁₀ helix	trans	-59.1	-26.5	178.9	-60.5	-172.1	170.8	0	0	112.6	K90 E113 R117	K90-E115 PolarHBondContact NZ-O 2.97Å; E113-E115 VanDerWaalsContact C-N 3.25Å; E113-E115 HydrophobicContact CG-CB 4.19Å; E113-E115 PolarHBondContact O-N 2.04Å; E115-R117 PolarHBondContact O-N 3.08Å
116	C	92.2	Very high	77.7	Confident	1 Å²	1	88.4 Å²	88.4	1%	0.007	45%	0.447	C	S	.	.	G	3₁₀ helix	trans	-77.7	-2.4	178.5	-67.4	0	0	0	0	113.9	C92 C98 G102 E113 P114 F120	C92-C116 VanDerWaalsContact SG-SG 3.64Å; C98-C116 WeakPolarHBondContact CA-SG 3.44Å; C98-C116 HydrophobicContact CB-CB 3.64Å; C98-C116 WeakPolarHBondContact CB-SG 3.43Å; C98-C116 WeakPolarHBondContact SG-CA 3.49Å; C98-C116 WeakPolarHBondContact SG-CB 3.45Å; C98-C116 CovalentContact SG-SG 2.04Å; C98-C116 PolarHBondContact SG-SG 3.21Å; G102-C116 PolarHBondContact N-O 3.19Å; E113-C116 PolarHBondContact O-N 3.2Å; E113-C116 VanDerWaalsContact O-N 3.14Å; P114-C116 PolarHBondContact O-N 2.92Å; P114-C116 VanDerWaalsContact O-N 3.11Å; C116-F120 WeakPolarHBondContact O-CD2 3.47Å; C116-F120 WeakPolarHBondContact O-CE2 3.45Å
117	R	89.5	Confident	75.8	Confident	123 Å²	123	90 Å²	90	46%	0.464	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-34.9	173.9	-64	-178.4	171.8	166	-1.6	112.5	F101 P114 E115 G119 F120 H121	F101-R117 HydrophobicContact CD1-CG 4.39Å; F101-R117 HydrophobicContact CD2-CB 4.46Å; F101-R117 HydrophobicContact CD2-CG 4.49Å; F101-R117 HydrophobicContact CE1-CG 3.96Å; F101-R117 HydrophobicContact CE2-CB 3.83Å; F101-R117 HydrophobicContact CE2-CG 4.07Å; F101-R117 HydrophobicContact CZ-CB 3.9Å; F101-R117 HydrophobicContact CZ-CG 3.79Å; P114-R117 WeakPolarHBondContact O-CB 3.31Å; P114-R117 PolarHBondContact O-N 3.04Å; E115-R117 PolarHBondContact O-N 3.08Å; R117-G119 VanDerWaalsContact C-N 3.29Å; R117-G119 PolarHBondContact O-N 3.21Å; R117-F120 PolarHBondContact O-N 3.23Å; R117-H121 PolarHBondContact O-CD2 3.15Å
118	E	73.1	Confident	73.8	Confident	133 Å²	133	91 Å²	91	62%	0.621	47%	0.466	S	S	*	.	H	α-helix	trans	-67.3	-27.9	-172.4	-62.1	176.4	160.8	0	0	113.4	K90	K90-E118 IonicContact NZ-OE2 2.63Å; K90-E118 PolarHBondContact NZ-OE2 3.32Å
119	G	61.6	Low	71.9	Confident	30 Å²	30	93.5 Å²	93.5	31%	0.309	47%	0.469	S	S	.	.	H	α-helix	trans	-72.9	-27.3	-179.8	0	0	0	0	0	114.3	R117 R122	R117-G119 VanDerWaalsContact C-N 3.29Å; R117-G119 PolarHBondContact O-N 3.21Å; G119-R122 PolarHBondContact O-N 3.27Å
120	F	58.2	Low	70	Confident	28 Å²	28	95 Å²	95	12%	0.123	48%	0.479	C	S	.	.	H	α-helix	trans	-79.9	-31.2	-175.2	-77.1	-101.8	0	0	0	112.6	D61 A100 F101 C116 R117 R122 R123 A124	D61-F120 HydrophobicContact CB-CD1 4.37Å; D61-F120 HydrophobicContact CB-CE1 3.51Å; D61-F120 HydrophobicContact CB-CZ 4.32Å; D61-F120 VanDerWaalsContact OD1-CE1 3.27Å; D61-F120 WeakPolarHBondContact OD1-CE1 3.43Å; D61-F120 VanDerWaalsContact OD1-CZ 3.25Å; D61-F120 WeakPolarHBondContact OD1-CZ 3.43Å; A100-F120 VanDerWaalsContact C-CE2 3.47Å; A100-F120 WeakPolarHBondContact O-CE2 3.5Å; F101-F120 HydrophobicContact CB-CD1 4.35Å; F101-F120 HydrophobicContact CB-CE1 4.48Å; F101-F120 HydrophobicContact CB-CG 4.36Å; F101-F120 HydrophobicContact CD2-CB 3.73Å; F101-F120 HydrophobicContact CD2-CD2 4.25Å; F101-F120 AromaticContact CD2-CG 3.93Å; F101-F120 HydrophobicContact CD2-CG 3.93Å; F101-F120 HydrophobicContact CE2-CB 4.31Å; C116-F120 WeakPolarHBondContact O-CD2 3.47Å; C116-F120 WeakPolarHBondContact O-CE2 3.45Å; R117-F120 PolarHBondContact O-N 3.23Å; F120-R122 PolarHBondContact O-N 3.2Å; F120-R123 PolarHBondContact O-N 2.84Å; F120-R123 VanDerWaalsContact O-N 3.16Å; F120-A124 PolarHBondContact O-N 3.29Å
121	H	53.3	Low	67.9	Low	113 Å²	113	99.4 Å²	99.4	52%	0.523	50%	0.5	S	S	.	.	H	α-helix	trans	-61.8	-27.7	174	-72	-68.2	0	0	0	112.7	R117 R125	R117-H121 PolarHBondContact O-CD2 3.15Å; H121-R125 WeakPolarHBondContact O-CG 3.38Å; H121-R125 PolarHBondContact O-N 2.79Å
122	R	53.5	Low	65.9	Low	210 Å²	210	97.7 Å²	97.7	79%	0.792	50%	0.495	S	S	*	.	H	α-helix	trans	-77.8	-38.5	173.8	-71.7	-170.5	-174	172	3.4	112.7	G119 F120 A126	G119-R122 PolarHBondContact O-N 3.27Å; F120-R122 PolarHBondContact O-N 3.2Å; R122-A126 WeakPolarHBondContact O-CB 3.43Å; R122-A126 PolarHBondContact O-N 3.14Å
123	R	54.9	Low	63.7	Low	108 Å²	108	97.5 Å²	97.5	41%	0.408	49%	0.494	S	S	.	.	H	α-helix	trans	-70.5	-40.7	177.9	-72.9	-173.2	-174.4	154.1	5.9	112.8	D61 F120 R125 A126 S127	D61-R123 IonicContact OD1-NH1 2.85Å; D61-R123 IonicContact OD2-CZ 3.43Å; D61-R123 IonicContact OD2-NH1 3.96Å; D61-R123 PolarHBondContact OD2-NH1 3.36Å; F120-R123 PolarHBondContact O-N 2.84Å; F120-R123 VanDerWaalsContact O-N 3.16Å; R123-R125 VanDerWaalsContact C-N 3.33Å; R123-R125 PolarHBondContact O-N 3.31Å; R123-A126 PolarHBondContact O-N 3.13Å; R123-S127 WeakPolarHBondContact O-CB 3.33Å; R123-S127 PolarHBondContact O-N 3.16Å
124	A	51.1	Low	61.9	Low	57 Å²	57	103.9 Å²	103.9	47%	0.471	52%	0.524	S	S	.	.	H	α-helix	trans	-58.6	-46.2	174.1	0	0	0	0	0	111.2	F120 A126 S127 D128	F120-A124 PolarHBondContact O-N 3.29Å; A124-A126 PolarHBondContact O-N 3.24Å; A124-S127 PolarHBondContact O-N 3.24Å; A124-D128 WeakPolarHBondContact O-CB 3.11Å; A124-D128 PolarHBondContact O-N 3.19Å
125	R	49.9	Very low	60.3	Low	195 Å²	195	106.6 Å²	106.6	74%	0.736	53%	0.534	S	S	*	.	H	α-helix	trans	-67.4	-30.3	176.6	-74.6	-174.6	-179.1	161.4	2.5	114.4	H121 R123 R129	H121-R125 WeakPolarHBondContact O-CG 3.38Å; H121-R125 PolarHBondContact O-N 2.79Å; R123-R125 VanDerWaalsContact C-N 3.33Å; R123-R125 PolarHBondContact O-N 3.31Å; R125-R129 PolarHBondContact O-N 3.09Å
126	A	53.5	Low	58.8	Low	55 Å²	55	108.5 Å²	108.5	46%	0.455	55%	0.547	S	S	.	.	H	α-helix	trans	-77.9	-36.3	176.7	0	0	0	0	0	112.1	R122 R123 A124 R129 S130	R122-A126 WeakPolarHBondContact O-CB 3.43Å; R122-A126 PolarHBondContact O-N 3.14Å; R123-A126 PolarHBondContact O-N 3.13Å; A124-A126 PolarHBondContact O-N 3.24Å; A126-R129 PolarHBondContact O-N 3.34Å; A126-S130 PolarHBondContact O-N 3.46Å; A126-S130 VanDerWaalsContact O-N 3.16Å; A126-S130 PolarHBondContact O-OG 3.31Å; A126-S130 VanDerWaalsContact O-OG 3.12Å
127	S	55.2	Low	57.6	Low	66 Å²	66	109.8 Å²	109.8	46%	0.462	56%	0.56	S	S	.	*	H	α-helix	trans	-68.7	-42.4	175.5	-163.5	0	0	0	0	111.7	R123 A124 R129 S130 N131	R123-S127 WeakPolarHBondContact O-CB 3.33Å; R123-S127 PolarHBondContact O-N 3.16Å; A124-S127 PolarHBondContact O-N 3.24Å; S127-R129 VanDerWaalsContact C-N 3.27Å; S127-R129 PolarHBondContact O-N 3.17Å; S127-S130 PolarHBondContact O-N 3.42Å; S127-N131 PolarHBondContact O-N 3.33Å
128	D	53.1	Low	56.8	Low	120 Å²	120	109.7 Å²	109.7	64%	0.642	58%	0.576	S	S	*	*	H	α-helix	trans	-60.1	-36.7	173.9	-94.3	-24.4	0	0	0	112.3	A124 A132	A124-D128 WeakPolarHBondContact O-CB 3.11Å; A124-D128 PolarHBondContact O-N 3.19Å; D128-A132 VanDerWaalsContact O-CB 3.25Å; D128-A132 WeakPolarHBondContact O-CB 3.35Å; D128-A132 PolarHBondContact O-N 3.18Å
129	R	53.4	Low	56.9	Low	208 Å²	208	106.8 Å²	106.8	79%	0.785	57%	0.574	S	S	*	*	H	α-helix	trans	-74	-30.8	178.9	-118	177.6	169.3	175.3	-3.8	113.5	R125 A126 S127	R125-R129 PolarHBondContact O-N 3.09Å; A126-R129 PolarHBondContact O-N 3.34Å; S127-R129 VanDerWaalsContact C-N 3.27Å; S127-R129 PolarHBondContact O-N 3.17Å
130	S	55	Low	57.3	Low	84 Å²	84	105.8 Å²	105.8	59%	0.587	56%	0.564	S	S	*	*	H	α-helix	trans	-81.9	-34.2	178.9	-61.4	0	0	0	0	112.1	A126 S127 T133	A126-S130 PolarHBondContact O-N 3.46Å; A126-S130 VanDerWaalsContact O-N 3.16Å; A126-S130 PolarHBondContact O-OG 3.31Å; A126-S130 VanDerWaalsContact O-OG 3.12Å; S127-S130 PolarHBondContact O-N 3.42Å; S130-T133 PolarHBondContact O-OG1 3.07Å
131	N	53	Low	58.1	Low	131 Å²	131	107.2 Å²	107.2	70%	0.701	58%	0.581	S	S	*	*	H	α-helix	trans	-76.6	-19.8	176.1	-77.6	-9.6	0	0	0	113.6	S127 T133	S127-N131 PolarHBondContact O-N 3.33Å; N131-T133 VanDerWaalsContact C-N 3.28Å; N131-T133 PolarHBondContact O-N 3.19Å
132	A	52.5	Low	59.4	Low	55 Å²	55	106.9 Å²	106.9	46%	0.455	58%	0.583	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83.7	18.1	178.7	0	0	0	0	0	114.9	D128	D128-A132 VanDerWaalsContact O-CB 3.25Å; D128-A132 WeakPolarHBondContact O-CB 3.35Å; D128-A132 PolarHBondContact O-N 3.18Å
133	T	50.3	Low	60.8	Low	102 Å²	102	102.2 Å²	102.2	63%	0.626	57%	0.573	S	S	*	*	S	Bend	trans	-134.1	71.7	-172	56.4	0	0	0	0	114.8	S130 N131	S130-T133 PolarHBondContact O-OG1 3.07Å; N131-T133 VanDerWaalsContact C-N 3.28Å; N131-T133 PolarHBondContact O-N 3.19Å
134	Q	55.8	Low	62	Low	185 Å²	185	102.2 Å²	102.2	86%	0.864	58%	0.58	S	S	*	*	S	Bend	trans	-176.9	-28.7	136.2	-116.3	175.4	0.6	0	0	113
135	L	56.8	Low	63.5	Low	138 Å²	138	108.3 Å²	108.3	72%	0.723	59%	0.591	S	S	*	*	S	Bend	trans	-94.6	-16.2	-179	-86.1	90.5	0	0	0	115	G137 G140	L135-G137 PolarHBondContact O-N 2.8Å; L135-G140 WeakPolarHBondContact O-CA 3.42Å
136	D	59.9	Low	65.1	Low	136 Å²	136	103.5 Å²	103.5	73%	0.727	58%	0.579	S	S	*	*	S	Bend	trans	-83.2	5.2	176.5	-71.9	-36.4	0	0	0	113.7
137	G	66.6	Low	66.6	Low	28 Å²	28	105.9 Å²	105.9	29%	0.289	59%	0.588	S	S	.	*	S	Bend	trans	-70.1	160.6	171.6	0	0	0	0	0	112.2	L135 A139 G140 A141	L135-G137 PolarHBondContact O-N 2.8Å; G137-A139 PolarHBondContact O-N 3.43Å; G137-G140 PolarHBondContact O-N 3.03Å; G137-A141 PolarHBondContact O-N 2.87Å
138	P	72.8	Confident	68	Low	122 Å²	122	109.2 Å²	109.2	79%	0.792	60%	0.597	S	S	*	*	H	α-helix	trans	-55.7	-26.7	179.1	21.7	-32.6	0	0	0	113.4	L142	P138-L142 PolarHBondContact O-N 3.26Å
139	A	73.5	Confident	69.2	Low	71 Å²	71	109.6 Å²	109.6	59%	0.587	60%	0.598	S	S	*	*	H	α-helix	trans	-68.9	-37.5	173.7	0	0	0	0	0	113.4	G137 L142 L143	G137-A139 PolarHBondContact O-N 3.43Å; A139-L142 PolarHBondContact O-N 2.92Å; A139-L143 PolarHBondContact O-N 2.88Å
140	G	70.4	Confident	70.4	Confident	9 Å²	9	103.9 Å²	103.9	9%	0.093	60%	0.595	C	S	.	*	H	α-helix	trans	-70.8	-38	178.2	0	0	0	0	0	112.3	L135 G137 L142 L143 L144	L135-G140 WeakPolarHBondContact O-CA 3.42Å; G137-G140 PolarHBondContact O-N 3.03Å; G140-L142 VanDerWaalsContact C-N 3.3Å; G140-L142 PolarHBondContact O-N 3.26Å; G140-L143 PolarHBondContact O-N 3.05Å; G140-L144 PolarHBondContact O-N 2.92Å
141	A	76.2	Confident	71.3	Confident	59 Å²	59	102.9 Å²	102.9	49%	0.488	60%	0.598	S	S	.	*	H	α-helix	trans	-61.6	-37.9	171.3	0	0	0	0	0	112.4	G137 R145	G137-A141 PolarHBondContact O-N 2.87Å; A141-R145 PolarHBondContact O-N 3.38Å; A141-R145 VanDerWaalsContact O-N 3.07Å
142	L	80.6	Confident	71.5	Confident	106 Å²	106	99.6 Å²	99.6	56%	0.555	59%	0.589	S	S	*	*	H	α-helix	trans	-67.7	-43.8	176	-162	155.9	0	0	0	111.2	P138 A139 G140 R145 L146	P138-L142 PolarHBondContact O-N 3.26Å; A139-L142 PolarHBondContact O-N 2.92Å; G140-L142 VanDerWaalsContact C-N 3.3Å; G140-L142 PolarHBondContact O-N 3.26Å; L142-R145 PolarHBondContact O-N 3.48Å; L142-L146 HydrophobicContact CD2-CD1 3.53Å; L142-L146 HydrophobicContact CD2-CG 3.91Å; L142-L146 WeakPolarHBondContact O-CG 3.47Å; L142-L146 PolarHBondContact O-N 3.08Å
143	L	81.8	Confident	71.6	Confident	111 Å²	111	102.7 Å²	102.7	58%	0.581	60%	0.604	S	S	*	*	H	α-helix	trans	-60.1	-45.1	174.4	-85.4	169.1	0	0	0	112.3	A139 G140 R145 L146 V147	A139-L143 PolarHBondContact O-N 2.88Å; G140-L143 PolarHBondContact O-N 3.05Å; L143-R145 VanDerWaalsContact C-N 3.32Å; L143-R145 PolarHBondContact O-N 3.34Å; L143-L146 PolarHBondContact O-N 3.22Å; L143-L146 VanDerWaalsContact O-N 3.15Å; L143-V147 WeakPolarHBondContact O-CG2 3.4Å; L143-V147 PolarHBondContact O-N 3.34Å
144	L	80.2	Confident	72.1	Confident	109 Å²	109	106.3 Å²	106.3	57%	0.571	61%	0.614	S	S	*	*	H	α-helix	trans	-58.9	-42.6	175.4	-90.6	152.1	0	0	0	112	G140 V147 Q148	G140-L144 PolarHBondContact O-N 2.92Å; L144-V147 PolarHBondContact O-N 3.49Å; L144-Q148 VanDerWaalsContact O-CG 3.3Å; L144-Q148 WeakPolarHBondContact O-CG 3.38Å; L144-Q148 PolarHBondContact O-N 2.93Å
145	R	82.1	Confident	72	Confident	184 Å²	184	103.2 Å²	103.2	69%	0.694	61%	0.61	S	S	*	*	H	α-helix	trans	-62.8	-42	173.2	-98.7	-167.4	171.8	-165.2	-0.7	112.6	A141 L142 L143 Q148 L149	A141-R145 PolarHBondContact O-N 3.38Å; A141-R145 VanDerWaalsContact O-N 3.07Å; L142-R145 PolarHBondContact O-N 3.48Å; L143-R145 VanDerWaalsContact C-N 3.32Å; L143-R145 PolarHBondContact O-N 3.34Å; R145-Q148 PolarHBondContact O-N 2.91Å; R145-L149 WeakPolarHBondContact O-CB 3.46Å; R145-L149 VanDerWaalsContact O-CG 3.26Å; R145-L149 WeakPolarHBondContact O-CG 3.31Å; R145-L149 PolarHBondContact O-N 3.27Å
146	L	84.5	Confident	71.7	Confident	94 Å²	94	106.1 Å²	106.1	49%	0.492	62%	0.617	S	S	.	*	H	α-helix	trans	-64.1	-40.2	178	-71.6	175.5	0	0	0	112	L142 L143 L149 A150	L142-L146 HydrophobicContact CD2-CD1 3.53Å; L142-L146 HydrophobicContact CD2-CG 3.91Å; L142-L146 WeakPolarHBondContact O-CG 3.47Å; L142-L146 PolarHBondContact O-N 3.08Å; L143-L146 PolarHBondContact O-N 3.22Å; L143-L146 VanDerWaalsContact O-N 3.15Å; L146-L149 PolarHBondContact O-N 2.95Å; L146-A150 WeakPolarHBondContact O-CB 3.45Å; L146-A150 PolarHBondContact O-N 3.42Å
147	V	84.7	Confident	71.9	Confident	105 Å²	105	108 Å²	108	64%	0.636	62%	0.622	S	S	*	*	H	α-helix	trans	-65.5	-41.2	176	176.2	0	0	0	0	111.1	L143 L144 L149 A150 G151	L143-V147 WeakPolarHBondContact O-CG2 3.4Å; L143-V147 PolarHBondContact O-N 3.34Å; L144-V147 PolarHBondContact O-N 3.49Å; V147-L149 VanDerWaalsContact C-N 3.34Å; V147-L149 PolarHBondContact O-N 3.25Å; V147-A150 PolarHBondContact O-N 3.24Å; V147-G151 PolarHBondContact O-N 3.38Å
148	Q	83.8	Confident	71.6	Confident	137 Å²	137	111.9 Å²	111.9	64%	0.64	64%	0.642	S	S	*	*	H	α-helix	trans	-64.5	-37.9	176	-73.2	175.9	-5.8	0	0	112.5	L144 R145 G151	L144-Q148 VanDerWaalsContact O-CG 3.3Å; L144-Q148 WeakPolarHBondContact O-CG 3.38Å; L144-Q148 PolarHBondContact O-N 2.93Å; R145-Q148 PolarHBondContact O-N 2.91Å; Q148-G151 PolarHBondContact O-N 2.95Å
149	L	79.7	Confident	71	Confident	128 Å²	128	110.9 Å²	110.9	67%	0.67	64%	0.644	S	S	*	*	H	α-helix	trans	-71.7	-35.1	176.8	-70	170.8	0	0	0	112.4	R145 L146 V147 G151	R145-L149 WeakPolarHBondContact O-CB 3.46Å; R145-L149 VanDerWaalsContact O-CG 3.26Å; R145-L149 WeakPolarHBondContact O-CG 3.31Å; R145-L149 PolarHBondContact O-N 3.27Å; L146-L149 PolarHBondContact O-N 2.95Å; V147-L149 VanDerWaalsContact C-N 3.34Å; V147-L149 PolarHBondContact O-N 3.25Å; L149-G151 VanDerWaalsContact C-N 3.28Å; L149-G151 PolarHBondContact O-N 3.37Å
150	A	78.4	Confident	70.6	Confident	88 Å²	88	116.1 Å²	116.1	73%	0.727	66%	0.656	S	S	*	*	H	α-helix	trans	-71.8	-21.5	176.9	0	0	0	0	0	113.4	L146 V147	L146-A150 WeakPolarHBondContact O-CB 3.45Å; L146-A150 PolarHBondContact O-N 3.42Å; V147-A150 PolarHBondContact O-N 3.24Å
151	G	72.7	Confident	70.4	Confident	62 Å²	62	121.4 Å²	121.4	64%	0.639	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.9	-0.2	178.8	0	0	0	0	0	115.1	V147 Q148 L149 P153	V147-G151 PolarHBondContact O-N 3.38Å; Q148-G151 PolarHBondContact O-N 2.95Å; L149-G151 VanDerWaalsContact C-N 3.28Å; L149-G151 PolarHBondContact O-N 3.37Å; G151-P153 WeakPolarHBondContact O-CD 3.21Å
152	A	57.7	Low	69.6	Low	62 Å²	62	126.8 Å²	126.8	51%	0.512	71%	0.709	S	S	.	*	P	Polyproline II helix	trans	-72.7	120.8	178.3	0	0	0	0	0	110
153	P	55.8	Low	68.4	Low	121 Å²	121	126 Å²	126	79%	0.786	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-67.6	133.5	172.9	26.9	-30.7	0	0	0	109.8	G151	G151-P153 WeakPolarHBondContact O-CD 3.21Å
154	E	59.1	Low	66.8	Low	177 Å²	177	135.4 Å²	135.4	83%	0.827	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-51.1	134.7	174.4	-70.4	-75.8	128.8	0	0	110.7	F156	E154-F156 PolarHBondContact O-N 3.45Å
155	P	54.9	Low	66.2	Low	121 Å²	121	136.7 Å²	136.7	79%	0.786	76%	0.757	S	S	*	*			trans	-68.9	115.2	174.8	16.1	-11.2	0	0	0	109.6	E157	P155-E157 PolarHBondContact O-N 3.49Å
156	F	50.2	Low	65.3	Low	198 Å²	198	134.2 Å²	134.2	87%	0.868	76%	0.761	S	S	*	*			trans	-69	109.5	173.2	-165.8	-93.1	0	0	0	109.4	E154	E154-F156 PolarHBondContact O-N 3.45Å
157	E	64.2	Low	64.3	Low	176 Å²	176	136.4 Å²	136.4	82%	0.822	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-74.6	125	175.9	-165.6	160.3	110.5	0	0	110	P155 A159	P155-E157 PolarHBondContact O-N 3.49Å; E157-A159 PolarHBondContact O-N 2.93Å
158	P	59.9	Low	63.1	Low	109 Å²	109	138.3 Å²	138.3	71%	0.708	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-77.2	120.7	178	28.5	-29.7	0	0	0	110.2	Q160	P158-Q160 PolarHBondContact O-N 3.25Å
159	A	59.7	Low	61.8	Low	102 Å²	102	138.4 Å²	138.4	84%	0.843	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-60.2	123	170.3	0	0	0	0	0	110.5	E157	E157-A159 PolarHBondContact O-N 2.93Å
160	Q	66.9	Low	60.6	Low	181 Å²	181	139.1 Å²	139.1	85%	0.846	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-69.6	144	169.4	-114.3	171.1	19.9	0	0	110	P158	P158-Q160 PolarHBondContact O-N 3.25Å
161	P	64.4	Low	59.3	Low	119 Å²	119	142.7 Å²	142.7	77%	0.773	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-78.3	128.3	175.1	31	-29	0	0	0	109.9	A163	P161-A163 PolarHBondContact O-N 3.2Å
162	D	60.1	Low	58.3	Low	172 Å²	172	148.9 Å²	148.9	92%	0.92	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-59	122.9	169.7	-80.7	-52.4	0	0	0	110.2
163	A	55.4	Low	58.3	Low	91 Å²	91	156.2 Å²	156.2	75%	0.752	85%	0.845	S	S	*	*			trans	-98.4	109.3	169.5	0	0	0	0	0	108.7	P161	P161-A163 PolarHBondContact O-N 3.2Å
164	Y	49.2	Very low	58.5	Low	307 Å²	307	159.4 Å²	159.4	100%	1.204	85%	0.85	S	S	*	*			trans	-177.1	0	134.2	-117.3	-82.8	0	0	0	110.9

Retrieved 164 of 164 residues in 29.3 ms (Link to these results)

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