A0A096MHC0_POEFO Loading...

Shisa family member 9a

Regulator of short-term neuronal synaptic plasticity in the dentate gyrus. Associates with AMPA receptors (ionotropic glutamate receptors) in synaptic spines and promotes AMPA receptor desensitization at excitatory synapses.

AlphaFold DB , UniProt , Accession A0A096MHC0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 182 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	A	43.7	Very low	52.7	Low	157 Å²	157	118.9 Å²	118.9	100%	1.298	70%	0.701	S	S	*	*				0	81.3	0	0	0	0	0	0	109.6
2	S	47.7	Very low	53.6	Low	131 Å²	131	113.6 Å²	113.6	92%	0.916	68%	0.68	S	S	*	*			trans	-155.7	83.7	175.4	-87.7	0	0	0	0	108.3
3	A	47.3	Very low	54.7	Low	77 Å²	77	113.9 Å²	113.9	64%	0.636	67%	0.668	S	S	*	*	S	Bend	trans	-159	-20	170.2	0	0	0	0	0	112
4	M	50.2	Low	55.5	Low	143 Å²	143	112.9 Å²	112.9	70%	0.704	66%	0.658	S	S	*	*	H	α-helix	trans	-77.4	-34.4	-179.5	-75.2	163.9	43.1	0	0	112.8	G6 R7 F8	M4-G6 PolarHBondContact O-N 3.23Å; M4-R7 PolarHBondContact O-N 3.15Å; M4-F8 WeakPolarHBondContact O-CD2 3.34Å; M4-F8 PolarHBondContact O-N 3.42Å
5	G	48.9	Very low	56.3	Low	55 Å²	55	112.7 Å²	112.7	57%	0.567	65%	0.652	S	S	*	*	H	α-helix	trans	-65	-36.3	-179.3	0	0	0	0	0	114.3	F9	G5-F9 WeakPolarHBondContact O-CB 3.43Å; G5-F9 PolarHBondContact O-N 3.16Å
6	G	51.1	Low	57.1	Low	43 Å²	43	112.9 Å²	112.9	44%	0.443	65%	0.649	S	S	.	*	H	α-helix	trans	-68.3	-36.7	179.9	0	0	0	0	0	113.1	M4 F9 L10	M4-G6 PolarHBondContact O-N 3.23Å; G6-F9 PolarHBondContact O-N 2.53Å; G6-L10 WeakPolarHBondContact O-CB 3.15Å; G6-L10 WeakPolarHBondContact O-CG 3.38Å; G6-L10 PolarHBondContact O-N 2.67Å
7	R	54.6	Low	57.6	Low	192 Å²	192	113.9 Å²	113.9	73%	0.725	64%	0.644	S	S	*	*	H	α-helix	trans	-69	-39.4	178.8	-71.4	-176.4	167.3	-168.6	-3.8	112.2	M4 L11	M4-R7 PolarHBondContact O-N 3.15Å; R7-L11 WeakPolarHBondContact O-CB 3.2Å; R7-L11 WeakPolarHBondContact O-CD1 3.36Å; R7-L11 WeakPolarHBondContact O-CG 3.35Å; R7-L11 PolarHBondContact O-N 3.02Å
8	F	54.8	Low	57.9	Low	131 Å²	131	112.3 Å²	112.3	58%	0.575	63%	0.633	S	S	*	*	H	α-helix	trans	-69.4	-37.3	174.8	-70.7	-69.9	0	0	0	112.3	M4 L11 A12	M4-F8 WeakPolarHBondContact O-CD2 3.34Å; M4-F8 PolarHBondContact O-N 3.42Å; F8-L11 PolarHBondContact O-N 2.76Å; F8-A12 VanDerWaalsContact O-CB 3.3Å; F8-A12 WeakPolarHBondContact O-CB 3.45Å; F8-A12 PolarHBondContact O-N 2.91Å
9	F	57.7	Low	58.1	Low	163 Å²	163	110.7 Å²	110.7	72%	0.715	63%	0.626	S	S	*	*	H	α-helix	trans	-65.6	-41.8	175.3	-134.9	-93	0	0	0	111.9	G5 G6 A12 F13	G5-F9 WeakPolarHBondContact O-CB 3.43Å; G5-F9 PolarHBondContact O-N 3.16Å; G6-F9 PolarHBondContact O-N 2.53Å; F9-A12 PolarHBondContact O-N 2.79Å; F9-F13 VanDerWaalsContact O-CB 3.29Å; F9-F13 WeakPolarHBondContact O-CB 3.32Å; F9-F13 PolarHBondContact O-N 3.47Å
10	L	60	Low	58.2	Low	124 Å²	124	108.1 Å²	108.1	65%	0.649	62%	0.619	S	S	*	*	H	α-helix	trans	-66.6	-40.6	175.3	-71.4	170.9	0	0	0	112	G6 F13 L14	G6-L10 WeakPolarHBondContact O-CB 3.15Å; G6-L10 WeakPolarHBondContact O-CG 3.38Å; G6-L10 PolarHBondContact O-N 2.67Å; L10-F13 PolarHBondContact O-N 2.9Å; L10-L14 WeakPolarHBondContact O-CB 3.21Å; L10-L14 PolarHBondContact O-N 3.07Å
11	L	63.5	Low	58.1	Low	92 Å²	92	108.4 Å²	108.4	48%	0.482	62%	0.618	S	S	.	*	H	α-helix	trans	-65.7	-42.4	175.3	-75.6	166.3	0	0	0	111.7	R7 F8 L14 L15	R7-L11 WeakPolarHBondContact O-CB 3.2Å; R7-L11 WeakPolarHBondContact O-CD1 3.36Å; R7-L11 WeakPolarHBondContact O-CG 3.35Å; R7-L11 PolarHBondContact O-N 3.02Å; F8-L11 PolarHBondContact O-N 2.76Å; L11-L14 PolarHBondContact O-N 3.23Å; L11-L15 WeakPolarHBondContact O-CB 3.49Å; L11-L15 WeakPolarHBondContact O-CG 3.44Å; L11-L15 PolarHBondContact O-N 3.01Å
12	A	63.8	Low	58.7	Low	55 Å²	55	106.2 Å²	106.2	46%	0.455	59%	0.588	S	S	.	*	H	α-helix	trans	-64.2	-41.9	175.7	0	0	0	0	0	111.8	F8 F9 L15 L16	F8-A12 VanDerWaalsContact O-CB 3.3Å; F8-A12 WeakPolarHBondContact O-CB 3.45Å; F8-A12 PolarHBondContact O-N 2.91Å; F9-A12 PolarHBondContact O-N 2.79Å; A12-L15 PolarHBondContact O-N 2.64Å; A12-L16 WeakPolarHBondContact O-CB 3.27Å; A12-L16 PolarHBondContact O-N 3.32Å
13	F	67.6	Low	58.9	Low	118 Å²	118	105.3 Å²	105.3	52%	0.518	58%	0.581	S	S	.	*	H	α-helix	trans	-67.4	-37.3	176.1	-158.9	-96.7	0	0	0	112	F9 L10 L16 K17	F9-F13 VanDerWaalsContact O-CB 3.29Å; F9-F13 WeakPolarHBondContact O-CB 3.32Å; F9-F13 PolarHBondContact O-N 3.47Å; L10-F13 PolarHBondContact O-N 2.9Å; F13-L16 PolarHBondContact O-N 2.97Å; F13-K17 HydrophobicContact CD1-CG 4.16Å; F13-K17 HydrophobicContact CE1-CG 4.12Å; F13-K17 WeakPolarHBondContact O-CB 3.48Å; F13-K17 VanDerWaalsContact O-CG 3.27Å; F13-K17 WeakPolarHBondContact O-CG 3.24Å; F13-K17 PolarHBondContact O-N 2.98Å
14	L	66.4	Low	58.7	Low	100 Å²	100	110.2 Å²	110.2	52%	0.524	59%	0.588	S	S	.	*	H	α-helix	trans	-65.9	-43.9	174.9	-171.6	75.1	0	0	0	111.3	L10 L11 K17 L18	L10-L14 WeakPolarHBondContact O-CB 3.21Å; L10-L14 PolarHBondContact O-N 3.07Å; L11-L14 PolarHBondContact O-N 3.23Å; L14-K17 PolarHBondContact O-N 3.39Å; L14-L18 HydrophobicContact CD2-CD1 4.5Å; L14-L18 HydrophobicContact CG-CD1 4.06Å; L14-L18 WeakPolarHBondContact O-CB 3.3Å; L14-L18 VanDerWaalsContact O-CG 3.32Å; L14-L18 WeakPolarHBondContact O-CG 3.43Å; L14-L18 PolarHBondContact O-N 2.92Å
15	L	67.7	Low	58.4	Low	109 Å²	109	107.2 Å²	107.2	57%	0.571	59%	0.586	S	S	*	*	H	α-helix	trans	-64.6	-41.2	176.5	-71.5	170.7	0	0	0	111.3	L11 A12 K17 L18 T19	L11-L15 WeakPolarHBondContact O-CB 3.49Å; L11-L15 WeakPolarHBondContact O-CG 3.44Å; L11-L15 PolarHBondContact O-N 3.01Å; A12-L15 PolarHBondContact O-N 2.64Å; L15-K17 VanDerWaalsContact C-N 3.35Å; L15-K17 PolarHBondContact O-N 2.04Å; L15-L18 PolarHBondContact O-N 3.08Å; L15-T19 WeakPolarHBondContact O-CG2 3.02Å; L15-T19 PolarHBondContact O-N 2.88Å; L15-T19 PolarHBondContact O-OG1 3.24Å; L15-T19 VanDerWaalsContact O-OG1 3.09Å
16	L	68.8	Low	58.3	Low	116 Å²	116	112.7 Å²	112.7	61%	0.607	60%	0.602	S	S	*	*	H	α-helix	trans	-63.9	-39.5	175.5	-171.6	65.2	0	0	0	112.2	A12 F13 T19 A20	A12-L16 WeakPolarHBondContact O-CB 3.27Å; A12-L16 PolarHBondContact O-N 3.32Å; F13-L16 PolarHBondContact O-N 2.97Å; L16-T19 VanDerWaalsContact C-OG1 3.3Å; L16-T19 WeakPolarHBondContact CA-OG1 3.27Å; L16-T19 PolarHBondContact O-OG1 3.42Å; L16-A20 WeakPolarHBondContact O-CB 3.02Å; L16-A20 PolarHBondContact O-N 3.31Å
17	K	65.6	Low	57.5	Low	130 Å²	130	114 Å²	114	57%	0.565	62%	0.615	S	S	*	*	H	α-helix	trans	-69.9	-38.2	174.8	-75.8	-75.8	-178.2	175.6	0	112.4	F13 L14 L15 A20 L21	F13-K17 HydrophobicContact CD1-CG 4.16Å; F13-K17 HydrophobicContact CE1-CG 4.12Å; F13-K17 WeakPolarHBondContact O-CB 3.48Å; F13-K17 VanDerWaalsContact O-CG 3.27Å; F13-K17 WeakPolarHBondContact O-CG 3.24Å; F13-K17 PolarHBondContact O-N 2.98Å; L14-K17 PolarHBondContact O-N 3.39Å; L15-K17 VanDerWaalsContact C-N 3.35Å; L15-K17 PolarHBondContact O-N 2.04Å; K17-A20 PolarHBondContact O-N 3.02Å; K17-L21 WeakPolarHBondContact O-CB 3.46Å; K17-L21 PolarHBondContact O-N 2.02Å
18	L	62.4	Low	56.6	Low	86 Å²	86	113.7 Å²	113.7	45%	0.45	62%	0.622	S	S	.	*	H	α-helix	trans	-64.8	-41.7	174.6	-80.5	162.8	0	0	0	111.3	L14 L15 A20 L21 V22	L14-L18 HydrophobicContact CD2-CD1 4.5Å; L14-L18 HydrophobicContact CG-CD1 4.06Å; L14-L18 WeakPolarHBondContact O-CB 3.3Å; L14-L18 VanDerWaalsContact O-CG 3.32Å; L14-L18 WeakPolarHBondContact O-CG 3.43Å; L14-L18 PolarHBondContact O-N 2.92Å; L15-L18 PolarHBondContact O-N 3.08Å; L18-A20 VanDerWaalsContact C-N 3.33Å; L18-A20 PolarHBondContact O-N 3.07Å; L18-L21 PolarHBondContact O-N 3.24Å; L18-V22 WeakPolarHBondContact O-CG2 3.3Å; L18-V22 PolarHBondContact O-N 2.03Å
19	T	63	Low	55.7	Low	81 Å²	81	113.5 Å²	113.5	50%	0.497	63%	0.634	S	S	.	*	H	α-helix	trans	-63.9	-38.1	173.7	48.7	0	0	0	0	112.1	L15 L16 C23	L15-T19 WeakPolarHBondContact O-CG2 3.02Å; L15-T19 PolarHBondContact O-N 2.88Å; L15-T19 PolarHBondContact O-OG1 3.24Å; L15-T19 VanDerWaalsContact O-OG1 3.09Å; L16-T19 VanDerWaalsContact C-OG1 3.3Å; L16-T19 WeakPolarHBondContact CA-OG1 3.27Å; L16-T19 PolarHBondContact O-OG1 3.42Å; T19-C23 PolarHBondContact O-N 3.47Å; T19-C23 VanDerWaalsContact O-N 3.09Å; T19-C23 PolarHBondContact O-SG 3.36Å
20	A	58.5	Low	54.4	Low	58 Å²	58	108.7 Å²	108.7	48%	0.479	63%	0.631	S	S	.	*	H	α-helix	trans	-69.5	-32.8	175.4	0	0	0	0	0	112.9	L16 K17 L18 K24	L16-A20 WeakPolarHBondContact O-CB 3.02Å; L16-A20 PolarHBondContact O-N 3.31Å; K17-A20 PolarHBondContact O-N 3.02Å; L18-A20 VanDerWaalsContact C-N 3.33Å; L18-A20 PolarHBondContact O-N 3.07Å; A20-K24 PolarHBondContact O-N 3.17Å
21	L	57.6	Low	53	Low	115 Å²	115	110.5 Å²	110.5	60%	0.602	64%	0.64	S	S	*	*	H	α-helix	trans	-73.2	-39.5	177	-168.4	68.6	0	0	0	111.8	K17 L18 C23 K24	K17-L21 WeakPolarHBondContact O-CB 3.46Å; K17-L21 PolarHBondContact O-N 2.02Å; L18-L21 PolarHBondContact O-N 3.24Å; L21-C23 VanDerWaalsContact C-N 3.31Å; L21-C23 PolarHBondContact O-N 3.03Å; L21-K24 CarbonylContact O-C 3.46Å; L21-K24 PolarHBondContact O-N 2.84Å
22	V	56	Low	51.5	Low	111 Å²	111	113.6 Å²	113.6	67%	0.673	66%	0.656	S	S	*	*	H	α-helix	trans	-64.3	-36.3	173.3	168.1	0	0	0	0	111.2	L18 K24	L18-V22 WeakPolarHBondContact O-CG2 3.3Å; L18-V22 PolarHBondContact O-N 2.03Å; V22-K24 PolarHBondContact O-N 2.98Å
23	C	51	Low	49.9	Very low	113 Å²	113	114.8 Å²	114.8	76%	0.764	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.4	-8.5	172.5	-70.9	0	0	0	0	114.3	T19 L21	T19-C23 PolarHBondContact O-N 3.47Å; T19-C23 VanDerWaalsContact O-N 3.09Å; T19-C23 PolarHBondContact O-SG 3.36Å; L21-C23 VanDerWaalsContact C-N 3.31Å; L21-C23 PolarHBondContact O-N 3.03Å
24	K	43.7	Very low	48.3	Very low	180 Å²	180	112.7 Å²	112.7	78%	0.783	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112	27.5	-179.4	-160.4	-173.4	141.8	65.8	0	111.8	A20 L21 V22	A20-K24 PolarHBondContact O-N 3.17Å; L21-K24 CarbonylContact O-C 3.46Å; L21-K24 PolarHBondContact O-N 2.84Å; V22-K24 PolarHBondContact O-N 2.98Å
25	A	43.4	Very low	46.9	Very low	80 Å²	80	118.2 Å²	118.2	66%	0.661	71%	0.706	S	S	*	*			trans	-118	9.9	-179.7	0	0	0	0	0	114.3
26	D	46.4	Very low	45.3	Very low	170 Å²	170	119.1 Å²	119.1	91%	0.909	72%	0.716	S	S	*	*			trans	-98.2	100.2	168.5	-94.4	-60.9	0	0	0	110.4
27	G	34.1	Very low	44	Very low	70 Å²	70	122.3 Å²	122.3	72%	0.722	73%	0.73	S	S	*	*	S	Bend	trans	143.3	68.3	157	0	0	0	0	0	117.3
28	E	36	Very low	42.7	Very low	185 Å²	185	123.9 Å²	123.9	86%	0.864	74%	0.743	S	S	*	*				-175.7	124.6	129.9	-110	-159.6	95.9	0	0	111.3
29	P	37.2	Very low	41.3	Very low	127 Å²	127	124 Å²	124	83%	0.825	76%	0.756	S	S	*	*			trans	-113.3	125.3	152.9	31.6	-19.5	0	0	0	110
30	G	30.2	Very low	40.1	Very low	63 Å²	63	126.6 Å²	126.6	65%	0.649	77%	0.772	S	S	*	*			trans	-77.8	167.5	174.9	0	0	0	0	0	114.8
31	L	30.9	Very low	39	Very low	162 Å²	162	129.4 Å²	129.4	85%	0.848	79%	0.788	S	S	*	*			trans	84.1	137.2	134.9	-142.4	79.7	0	0	0	121.1
32	L	31.6	Very low	38.6	Very low	156 Å²	156	132 Å²	132	82%	0.817	80%	0.803	S	S	*	*			trans	87.7	104.8	156.4	-78.6	165.2	0	0	0	119.5
33	G	29.9	Very low	37.5	Very low	80 Å²	80	130.3 Å²	130.3	83%	0.825	81%	0.807	S	S	*	*				84.9	120.5	104.8	0	0	0	0	0	118.2
34	G	33.8	Very low	36.8	Very low	74 Å²	74	129.9 Å²	129.9	76%	0.763	81%	0.806	S	S	*	*			trans	153.4	90	156	0	0	0	0	0	114.7
35	F	37.4	Very low	36.4	Very low	217 Å²	217	132 Å²	132	95%	0.952	81%	0.808	S	S	*	*			trans	-67.3	132.5	159.9	-80.8	-101.5	0	0	0	109.5
36	V	33	Very low	36.2	Very low	128 Å²	128	136.9 Å²	136.9	78%	0.776	82%	0.818	S	S	*	*			trans	-136.8	119.3	164.1	175.1	0	0	0	0	109.5	I38	V36-I38 HydrophobicContact CG1-CG1 4.3Å
37	M	42.7	Very low	35.7	Very low	182 Å²	182	137.8 Å²	137.8	90%	0.897	82%	0.816	S	S	*	*			trans	-81.3	138.1	169.6	-66.1	-96.5	-97.5	0	0	109.3
38	I	37.7	Very low	35.8	Very low	164 Å²	164	142.4 Å²	142.4	84%	0.841	83%	0.825	S	S	*	*			trans	-139.9	122.6	153.8	-60	-175.2	0	0	0	110.3	V36	V36-I38 HydrophobicContact CG1-CG1 4.3Å
39	A	33.2	Very low	35.7	Very low	88 Å²	88	136.7 Å²	136.7	73%	0.727	82%	0.816	S	S	*	*			trans	-78	169.5	173.2	0	0	0	0	0	112.4
40	T	38.2	Very low	35.8	Very low	136 Å²	136	135.4 Å²	135.4	83%	0.834	82%	0.816	S	S	*	*			trans	-55.7	150.2	-179.5	59.8	0	0	0	0	114.4
41	S	36.1	Very low	36.5	Very low	117 Å²	117	138.3 Å²	138.3	82%	0.818	82%	0.823	S	S	*	*			trans	-172.8	114.4	131.5	50.4	0	0	0	0	111
42	N	47.2	Very low	37	Very low	170 Å²	170	139.9 Å²	139.9	91%	0.909	83%	0.826	S	S	*	*			trans	-75.7	135.3	167.5	-163.9	16.6	0	0	0	108.6
43	G	34.3	Very low	37.4	Very low	74 Å²	74	138.2 Å²	138.2	76%	0.763	81%	0.814	S	S	*	*			trans	-152.9	91.6	-178.3	0	0	0	0	0	111.2
44	S	36.3	Very low	38	Very low	105 Å²	105	137.4 Å²	137.4	73%	0.734	80%	0.799	S	S	*	*			trans	-72.3	150.1	170.4	43.6	0	0	0	0	111.7
45	R	34.7	Very low	38.6	Very low	223 Å²	223	139.3 Å²	139.3	84%	0.842	80%	0.798	S	S	*	*				179.2	135.2	121.1	-95	167.6	73.5	93.9	5	111.8
46	E	38.6	Very low	39.6	Very low	183 Å²	183	134.1 Å²	134.1	86%	0.855	78%	0.777	S	S	*	*			trans	-73.2	145.4	170.5	-59.3	156.9	150.5	0	0	109.7
47	E	37.2	Very low	41.2	Very low	189 Å²	189	133 Å²	133	88%	0.883	77%	0.771	S	S	*	*			trans	-141.8	131.8	146.3	-82.2	-160.7	126	0	0	110.8
48	D	36.6	Very low	43	Very low	168 Å²	168	130.1 Å²	130.1	90%	0.898	76%	0.755	S	S	*	*			trans	-80.3	150.5	179.4	-172.5	12.3	0	0	0	110.1
49	G	32.4	Very low	45.4	Very low	65 Å²	65	123.4 Å²	123.4	67%	0.67	72%	0.72	S	S	*	*			trans	166.2	82.4	-178.5	0	0	0	0	0	113.2	P51	G49-P51 WeakPolarHBondContact O-CD 3.07Å
50	A	40.1	Very low	48.3	Very low	100 Å²	100	124.4 Å²	124.4	83%	0.826	71%	0.709	S	S	*	*			trans	-72.9	130.7	165.3	0	0	0	0	0	110.7
51	P	44.5	Very low	50.9	Low	124 Å²	124	117.9 Å²	117.9	81%	0.805	67%	0.67	S	S	*	*			trans	-100	127.2	166	0.2	20.7	0	0	0	111.9	G49	G49-P51 WeakPolarHBondContact O-CD 3.07Å
52	E	40.8	Very low	53.7	Low	194 Å²	194	117.5 Å²	117.5	91%	0.907	65%	0.65	S	S	*	*			trans	-27.7	141.1	158.7	-150.7	169.8	171.2	0	0	115.6	A54	E52-A54 PolarHBondContact O-N 2.82Å
53	E	40.8	Very low	55.8	Low	122 Å²	122	109.7 Å²	109.7	57%	0.57	61%	0.61	S	S	*	*			trans	-73.1	107.2	-169.7	-161.9	-166.4	131.4	0	0	112.7	H56 K98	E53-H56 IonicContact OE1-CE1 3.89Å; E53-K98 WeakPolarHBondContact OE1-CE 3.34Å; E53-K98 IonicContact OE1-NZ 2.53Å; E53-K98 PolarHBondContact OE1-NZ 2.63Å; E53-K98 WeakPolarHBondContact OE2-CE 2.94Å; E53-K98 IonicContact OE2-NZ 2.76Å; E53-K98 PolarHBondContact OE2-NZ 2.91Å
54	A	42.4	Very low	58.6	Low	62 Å²	62	106.6 Å²	106.6	51%	0.512	58%	0.575	S	S	.	*			trans	-71.2	152.9	170.9	0	0	0	0	0	111.9	E52 H56	E52-A54 PolarHBondContact O-N 2.82Å; A54-H56 PolarHBondContact O-N 3.4Å
55	P	47.4	Very low	61.2	Low	114 Å²	114	103 Å²	103	74%	0.74	55%	0.546	S	S	*	.	S	Bend	trans	-62.4	133	-176.6	27.3	-33.5	0	0	0	110.2	T57	P55-T57 VanDerWaalsContact C-N 3.27Å; P55-T57 WeakPolarHBondContact O-CG2 3.2Å; P55-T57 PolarHBondContact O-N 3.05Å
56	H	57.9	Low	63.7	Low	109 Å²	109	93.8 Å²	93.8	51%	0.505	51%	0.513	S	S	.	.	S	Bend	trans	-27.6	76.8	-172.2	-57.4	-56.8	0	0	0	116.4	E53 A54 Y84	E53-H56 IonicContact OE1-CE1 3.89Å; A54-H56 PolarHBondContact O-N 3.4Å; H56-Y84 PolarHBondContact CE1-OH 2.91Å; H56-Y84 AromaticContact ND1-CE1 3.81Å; H56-Y84 AromaticContact ND1-CZ 3.82Å; H56-Y84 PolarHBondContact ND1-OH 3.08Å
57	T	66.6	Low	65.8	Low	105 Å²	105	91.3 Å²	91.3	64%	0.644	51%	0.511	S	S	*	.			trans	-90.8	127.9	168.8	44.4	0	0	0	0	107.2	P55 E59	P55-T57 VanDerWaalsContact C-N 3.27Å; P55-T57 WeakPolarHBondContact O-CG2 3.2Å; P55-T57 PolarHBondContact O-N 3.05Å; T57-E59 PolarHBondContact O-N 3.24Å; T57-E59 VanDerWaalsContact O-N 3.16Å
58	E	79.8	Confident	68.1	Low	121 Å²	121	89.9 Å²	89.9	57%	0.565	51%	0.506	S	S	*	.			trans	-17.3	110.4	166.1	-54.2	172.5	-157.5	0	0	112.8	V76 K78 L83	E58-V76 HydrophobicContact CB-CG1 4.25Å; E58-K78 HydrophobicContact CG-CB 4.44Å; E58-L83 HydrophobicContact CG-CD2 4.42Å
59	E	88.9	Confident	70.4	Confident	22 Å²	22	82.8 Å²	82.8	10%	0.103	47%	0.473	C	S	.	.	P	Polyproline II helix	trans	-80.6	132.5	-178.2	-170.4	170.3	-164.5	0	0	110.6	T57 C77 L83 C85 R101 Q104	T57-E59 PolarHBondContact O-N 3.24Å; T57-E59 VanDerWaalsContact O-N 3.16Å; E59-C77 WeakPolarHBondContact O-CB 3.38Å; E59-C77 PolarHBondContact O-N 2.73Å; E59-L83 WeakPolarHBondContact CB-O 3.45Å; E59-L83 PolarHBondContact N-O 2.96Å; E59-C85 HydrophobicContact CG-CB 3.89Å; E59-C85 PolarHBondContact OE2-N 2.71Å; E59-R101 VanDerWaalsContact CD-NE 3.29Å; E59-R101 IonicContact OE1-CZ 3.04Å; E59-R101 IonicContact OE1-NE 3.87Å; E59-R101 PolarHBondContact OE1-NE 3.29Å; E59-R101 IonicContact OE1-NH2 2.91Å; E59-R101 PolarHBondContact OE1-NH2 3.06Å; E59-R101 WeakPolarHBondContact OE2-CG 2.94Å; E59-R101 IonicContact OE2-NE 3.96Å; E59-R101 PolarHBondContact OE2-NE 3.42Å; E59-R101 VanDerWaalsContact OE2-NE 3.07Å; E59-Q104 PolarHBondContact OE1-NE2 3.12Å
60	Q	92.8	Very high	73	Confident	109 Å²	109	85.5 Å²	85.5	51%	0.509	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	118.6	169.4	-173.1	158.3	23	0	0	110.3	R62 V76 Q104	Q60-R62 PolarHBondContact O-N 3.33Å; Q60-V76 HydrophobicContact CB-CG2 4.28Å; Q60-V76 HydrophobicContact CG-CG2 3.96Å; Q60-Q104 PolarHBondContact O-NE2 2.8Å
61	C	94.4	Very high	75.3	Confident	0 Å²	0	86.2 Å²	86.2	0%	0	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	116.5	164.1	-71.7	0	0	0	0	108.8	P74 F75 C85 R92	C61-P74 CarbonylContact O-C 3.49Å; C61-P74 WeakPolarHBondContact O-CA 2.98Å; C61-P74 WeakPolarHBondContact O-CB 3.06Å; C61-F75 HydrophobicContact CB-CD1 4.07Å; C61-F75 HydrophobicContact CB-CD2 4Å; C61-F75 HydrophobicContact CB-CE1 3.73Å; C61-F75 HydrophobicContact CB-CE2 3.65Å; C61-F75 HydrophobicContact CB-CG 4.21Å; C61-F75 HydrophobicContact CB-CZ 3.5Å; C61-F75 VanDerWaalsContact CB-CZ 3.5Å; C61-F75 PolarHBondContact N-O 2.81Å; C61-F75 PolarHBondContact O-N 3.45Å; C61-F75 WeakPolarHBondContact SG-CE2 3.34Å; C61-F75 WeakPolarHBondContact SG-CZ 3.43Å; C61-C85 WeakPolarHBondContact CA-SG 3.46Å; C61-C85 HydrophobicContact CB-CB 4.18Å; C61-C85 WeakPolarHBondContact CB-SG 3.35Å; C61-C85 WeakPolarHBondContact SG-CA 3.49Å; C61-C85 WeakPolarHBondContact SG-CB 3.09Å; C61-C85 CovalentContact SG-SG 2.03Å; C61-C85 PolarHBondContact SG-SG 3.47Å; C61-R92 HydrophobicContact CB-CB 4.49Å
62	R	93.8	Very high	77.5	Confident	108 Å²	108	82.1 Å²	82.1	41%	0.408	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-63.1	148	171	-65	-170.7	-76.6	-103.7	12.7	109.9	Q60 R92 Q104 S105 Y110	Q60-R62 PolarHBondContact O-N 3.33Å; R62-R92 PolarHBondContact O-NH1 2.79Å; R62-Q104 VanDerWaalsContact NH2-CB 3.31Å; R62-Q104 PolarHBondContact NH2-O 2.86Å; R62-S105 VanDerWaalsContact NH2-N 3.16Å; R62-Y110 HydrophobicContact CB-CD1 4.33Å; R62-Y110 HydrophobicContact CB-CE1 3.57Å; R62-Y110 PolarHBondContact NE-OH 2.85Å
63	G	92	Very high	80	Confident	7 Å²	7	76.8 Å²	76.8	7%	0.072	40%	0.403	C	S	.	.	P	Polyproline II helix	trans	-62.5	154.1	173.2	0	0	0	0	0	110.4	D72 Y110	G63-D72 CarbonylContact C-O 3.55Å; G63-D72 WeakPolarHBondContact CA-O 3.45Å; G63-Y110 WeakPolarHBondContact O-CD1 2.99Å; G63-Y110 WeakPolarHBondContact O-CE1 3.31Å
64	Y	92.3	Very high	82.5	Confident	8 Å²	8	74.2 Å²	74.2	3%	0.031	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	157.8	-175.9	61.5	-83.4	0	0	0	109.6	D66 D72 G90 R92 N109	Y64-D66 HydrophobicContact CE2-CB 4.13Å; Y64-D72 HydrophobicContact CD1-CB 4.18Å; Y64-D72 HydrophobicContact CD2-CB 4.47Å; Y64-D72 HydrophobicContact CE1-CB 3.76Å; Y64-D72 HydrophobicContact CE2-CB 4.03Å; Y64-D72 VanDerWaalsContact CE2-OD2 3.23Å; Y64-D72 WeakPolarHBondContact CE2-OD2 3.14Å; Y64-D72 PolarHBondContact N-O 2.83Å; Y64-D72 PolarHBondContact O-N 2.96Å; Y64-D72 PolarHBondContact OH-OD2 2.98Å; Y64-G90 VanDerWaalsContact CE2-O 3.27Å; Y64-G90 WeakPolarHBondContact CE2-O 3.47Å; Y64-R92 HydrophobicContact CD1-CB 4.23Å; Y64-R92 HydrophobicContact CD1-CG 3.68Å; Y64-R92 VanDerWaalsContact CD1-NE 3.27Å; Y64-R92 HydrophobicContact CE1-CB 3.6Å; Y64-R92 HydrophobicContact CE1-CG 3.5Å; Y64-R92 VanDerWaalsContact CE1-CG 3.5Å; Y64-R92 HydrophobicContact CG-CG 4.41Å; Y64-R92 PolarHBondContact OH-N 2.99Å; Y64-N109 WeakPolarHBondContact CA-O 3.49Å
65	Y	90.3	Very high	85	Confident	29 Å²	29	74.5 Å²	74.5	11%	0.114	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	132.1	163	-71.5	-86.6	0	0	0	109.1	G69 Q70 W71 N109 T112 M116	Y65-G69 WeakPolarHBondContact CD1-O 3.41Å; Y65-Q70 CarbonylContact C-O 3.59Å; Y65-Q70 VanDerWaalsContact CA-O 3.28Å; Y65-Q70 WeakPolarHBondContact CA-O 3.05Å; Y65-W71 HydrophobicContact CD1-CB 4.13Å; Y65-W71 HydrophobicContact CD1-CE3 4.14Å; Y65-W71 AromaticContact CD2-CE3 3.44Å; Y65-W71 HydrophobicContact CD2-CE3 3.44Å; Y65-W71 VanDerWaalsContact CD2-CE3 3.44Å; Y65-W71 AromaticContact CD2-CZ3 3.66Å; Y65-W71 HydrophobicContact CD2-CZ3 3.66Å; Y65-W71 HydrophobicContact CE1-CB 3.78Å; Y65-W71 AromaticContact CE1-CE3 3.97Å; Y65-W71 HydrophobicContact CE1-CE3 3.97Å; Y65-W71 HydrophobicContact CE2-CD2 4.3Å; Y65-W71 AromaticContact CE2-CE3 3.21Å; Y65-W71 HydrophobicContact CE2-CE3 3.21Å; Y65-W71 AromaticContact CE2-CZ3 3.45Å; Y65-W71 HydrophobicContact CE2-CZ3 3.45Å; Y65-W71 VanDerWaalsContact CE2-CZ3 3.45Å; Y65-W71 AromaticContact CG-CE3 3.89Å; Y65-W71 HydrophobicContact CG-CE3 3.89Å; Y65-W71 HydrophobicContact CG-CZ3 4.48Å; Y65-W71 AromaticContact CZ-CE3 3.49Å; Y65-W71 VanDerWaalsContact CZ-CE3 3.49Å; Y65-N109 WeakPolarHBondContact CB-OD1 3.41Å; Y65-N109 PolarHBondContact N-O 3.3Å; Y65-N109 PolarHBondContact O-ND2 2.77Å; Y65-T112 HydrophobicContact CE1-CG2 4.21Å; Y65-T112 VanDerWaalsContact CE2-CA 3.45Å; Y65-T112 HydrophobicContact CE2-CG2 4.29Å; Y65-T112 WeakPolarHBondContact OH-CB 3.37Å; Y65-T112 WeakPolarHBondContact OH-CG2 3.08Å; Y65-T112 PolarHBondContact OH-OG1 2.87Å; Y65-M116 HydrophobicContact CD1-SD 4.26Å; Y65-M116 HydrophobicContact CE1-SD 3.83Å
66	D	89.1	Confident	87.2	Confident	30 Å²	30	71.8 Å²	71.8	16%	0.16	37%	0.368	C	S	.	.			trans	-73.1	178.8	172.8	72.2	5.2	0	0	0	111.2	Y64 M68 G69 Q70 G90	Y64-D66 HydrophobicContact CE2-CB 4.13Å; D66-M68 PolarHBondContact O-N 3.04Å; D66-M68 VanDerWaalsContact O-N 3.16Å; D66-M68 VanDerWaalsContact OD1-C 3.23Å; D66-M68 VanDerWaalsContact OD1-CA 3.22Å; D66-M68 WeakPolarHBondContact OD1-CA 3.37Å; D66-M68 VanDerWaalsContact OD1-CB 3.28Å; D66-M68 WeakPolarHBondContact OD1-CB 3.48Å; D66-M68 PolarHBondContact OD1-N 3.19Å; D66-G69 PolarHBondContact O-N 2.04Å; D66-G69 PolarHBondContact OD1-N 3.08Å; D66-Q70 PolarHBondContact N-O 3.47Å; D66-Q70 WeakPolarHBondContact OD1-CB 3.39Å; D66-Q70 PolarHBondContact OD1-N 3.03Å; D66-G90 WeakPolarHBondContact CA-O 3.5Å; D66-G90 WeakPolarHBondContact CB-O 3.28Å
67	V	82.4	Confident	89	Confident	132 Å²	132	66.6 Å²	66.6	80%	0.8	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-16.1	176	-63.5	0	0	0	0	113.3
68	M	85.7	Confident	90.1	Very high	158 Å²	158	68.7 Å²	68.7	78%	0.778	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-2.3	176.1	-55.9	-56.3	-63.3	0	0	112.3	D66 Q70	D66-M68 PolarHBondContact O-N 3.04Å; D66-M68 VanDerWaalsContact O-N 3.16Å; D66-M68 VanDerWaalsContact OD1-C 3.23Å; D66-M68 VanDerWaalsContact OD1-CA 3.22Å; D66-M68 WeakPolarHBondContact OD1-CA 3.37Å; D66-M68 VanDerWaalsContact OD1-CB 3.28Å; D66-M68 WeakPolarHBondContact OD1-CB 3.48Å; D66-M68 PolarHBondContact OD1-N 3.19Å; M68-Q70 VanDerWaalsContact C-N 3.27Å
69	G	84.1	Confident	90.6	Very high	20 Å²	20	67.8 Å²	67.8	21%	0.206	35%	0.347	C	S	.	.	S	Bend	trans	74.7	14.8	-175.9	0	0	0	0	0	113.7	Y65 D66 M116	Y65-G69 WeakPolarHBondContact CD1-O 3.41Å; D66-G69 PolarHBondContact O-N 2.04Å; D66-G69 PolarHBondContact OD1-N 3.08Å; G69-M116 WeakPolarHBondContact O-CE 3.44Å
70	Q	86.1	Confident	90.5	Very high	121 Å²	121	69.7 Å²	69.7	57%	0.565	37%	0.372	S	S	*	.	P	Polyproline II helix	trans	-80	134.5	170.1	174.3	174.1	-33.4	0	0	109.6	Y65 D66 M68 D72	Y65-Q70 CarbonylContact C-O 3.59Å; Y65-Q70 VanDerWaalsContact CA-O 3.28Å; Y65-Q70 WeakPolarHBondContact CA-O 3.05Å; D66-Q70 PolarHBondContact N-O 3.47Å; D66-Q70 WeakPolarHBondContact OD1-CB 3.39Å; D66-Q70 PolarHBondContact OD1-N 3.03Å; M68-Q70 VanDerWaalsContact C-N 3.27Å; Q70-D72 PolarHBondContact O-N 3.2Å
71	W	88.5	Confident	90.3	Very high	116 Å²	116	70.7 Å²	70.7	44%	0.439	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	116.7	174.1	178.8	-103.7	0	0	0	110.9	Y65 Y110	Y65-W71 HydrophobicContact CD1-CB 4.13Å; Y65-W71 HydrophobicContact CD1-CE3 4.14Å; Y65-W71 AromaticContact CD2-CE3 3.44Å; Y65-W71 HydrophobicContact CD2-CE3 3.44Å; Y65-W71 VanDerWaalsContact CD2-CE3 3.44Å; Y65-W71 AromaticContact CD2-CZ3 3.66Å; Y65-W71 HydrophobicContact CD2-CZ3 3.66Å; Y65-W71 HydrophobicContact CE1-CB 3.78Å; Y65-W71 AromaticContact CE1-CE3 3.97Å; Y65-W71 HydrophobicContact CE1-CE3 3.97Å; Y65-W71 HydrophobicContact CE2-CD2 4.3Å; Y65-W71 AromaticContact CE2-CE3 3.21Å; Y65-W71 HydrophobicContact CE2-CE3 3.21Å; Y65-W71 AromaticContact CE2-CZ3 3.45Å; Y65-W71 HydrophobicContact CE2-CZ3 3.45Å; Y65-W71 VanDerWaalsContact CE2-CZ3 3.45Å; Y65-W71 AromaticContact CG-CE3 3.89Å; Y65-W71 HydrophobicContact CG-CE3 3.89Å; Y65-W71 HydrophobicContact CG-CZ3 4.48Å; Y65-W71 AromaticContact CZ-CE3 3.49Å; Y65-W71 VanDerWaalsContact CZ-CE3 3.49Å; W71-Y110 WeakPolarHBondContact CZ3-O 3.44Å
72	D	92.1	Very high	90.2	Very high	37 Å²	37	76.6 Å²	76.6	20%	0.198	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	123.9	169.2	-77	-50.2	0	0	0	110.1	G63 Y64 Q70	G63-D72 CarbonylContact C-O 3.55Å; G63-D72 WeakPolarHBondContact CA-O 3.45Å; Y64-D72 HydrophobicContact CD1-CB 4.18Å; Y64-D72 HydrophobicContact CD2-CB 4.47Å; Y64-D72 HydrophobicContact CE1-CB 3.76Å; Y64-D72 HydrophobicContact CE2-CB 4.03Å; Y64-D72 VanDerWaalsContact CE2-OD2 3.23Å; Y64-D72 WeakPolarHBondContact CE2-OD2 3.14Å; Y64-D72 PolarHBondContact N-O 2.83Å; Y64-D72 PolarHBondContact O-N 2.96Å; Y64-D72 PolarHBondContact OH-OD2 2.98Å; Q70-D72 PolarHBondContact O-N 3.2Å
73	P	92.5	Very high	90.1	Very high	82 Å²	82	73.7 Å²	73.7	53%	0.532	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-70	156.4	-178.7	29.8	-34.8	0	0	0	112.2
74	P	94.1	Very high	90.2	Very high	68 Å²	68	75 Å²	75	44%	0.442	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-63	146.7	174.4	26.2	-33.5	0	0	0	112	C61	C61-P74 CarbonylContact O-C 3.49Å; C61-P74 WeakPolarHBondContact O-CA 2.98Å; C61-P74 WeakPolarHBondContact O-CB 3.06Å
75	F	94	Very high	90.4	Very high	68 Å²	68	74.6 Å²	74.6	30%	0.298	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	154.5	176.1	61.3	-90.9	0	0	0	111.4	C61 R92 C94	C61-F75 HydrophobicContact CB-CD1 4.07Å; C61-F75 HydrophobicContact CB-CD2 4Å; C61-F75 HydrophobicContact CB-CE1 3.73Å; C61-F75 HydrophobicContact CB-CE2 3.65Å; C61-F75 HydrophobicContact CB-CG 4.21Å; C61-F75 HydrophobicContact CB-CZ 3.5Å; C61-F75 VanDerWaalsContact CB-CZ 3.5Å; C61-F75 PolarHBondContact N-O 2.81Å; C61-F75 PolarHBondContact O-N 3.45Å; C61-F75 WeakPolarHBondContact SG-CE2 3.34Å; C61-F75 WeakPolarHBondContact SG-CZ 3.43Å; F75-R92 HydrophobicContact CE1-CB 4.21Å; F75-R92 HydrophobicContact CZ-CB 3.97Å; F75-R92 WeakPolarHBondContact CZ-O 3.37Å; F75-C94 VanDerWaalsContact CE2-SG 3.55Å
76	V	94.8	Very high	90.6	Very high	58 Å²	58	73.2 Å²	73.2	35%	0.352	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	130.5	-177	-177.2	0	0	0	0	110.1	E58 Q60 K78	E58-V76 HydrophobicContact CB-CG1 4.25Å; Q60-V76 HydrophobicContact CB-CG2 4.28Å; Q60-V76 HydrophobicContact CG-CG2 3.96Å; V76-K78 HydrophobicContact CG1-CB 4.4Å; V76-K78 PolarHBondContact O-N 2.83Å
77	C	94.3	Very high	90.9	Very high	0 Å²	0	73.2 Å²	73.2	0%	0	40%	0.399	C	S	.	.			trans	-86	94.6	176.6	-66.2	0	0	0	0	110.6	E59 Y82 C94	E59-C77 WeakPolarHBondContact O-CB 3.38Å; E59-C77 PolarHBondContact O-N 2.73Å; C77-Y82 CarbonylContact C-O 3.44Å; C77-Y82 VanDerWaalsContact CB-O 3.32Å; C77-Y82 WeakPolarHBondContact CB-O 3.23Å; C77-C94 WeakPolarHBondContact CA-SG 3.39Å; C77-C94 HydrophobicContact CB-CB 3.75Å; C77-C94 WeakPolarHBondContact CB-SG 3.43Å; C77-C94 WeakPolarHBondContact SG-CA 3.43Å; C77-C94 WeakPolarHBondContact SG-CB 3.42Å; C77-C94 CovalentContact SG-SG 2.04Å; C77-C94 PolarHBondContact SG-SG 2.86Å
78	K	91.3	Very high	91.4	Very high	148 Å²	148	70.7 Å²	70.7	64%	0.643	39%	0.385	S	S	*	.			trans	-130.5	12.3	-175.2	65.8	176.9	-177.3	178	0	114.3	E58 V76	E58-K78 HydrophobicContact CG-CB 4.44Å; V76-K78 HydrophobicContact CG1-CB 4.4Å; V76-K78 PolarHBondContact O-N 2.83Å
79	T	89.4	Confident	91.8	Very high	103 Å²	103	65.1 Å²	65.1	63%	0.632	36%	0.361	S	S	*	.	B	Isolated β-bridge	trans	-97.1	106.1	-174.2	-66.2	0	0	0	0	110	D81 Y82	T79-D81 PolarHBondContact O-N 2.85Å; T79-Y82 VanDerWaalsContact O-CB 3.27Å; T79-Y82 WeakPolarHBondContact O-CB 3.04Å; T79-Y82 WeakPolarHBondContact O-CD2 3.05Å; T79-Y82 PolarHBondContact O-N 3.2Å
80	G	87.6	Confident	92.2	Very high	61 Å²	61	64.7 Å²	64.7	63%	0.629	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.2	-128.3	177.8	0	0	0	0	0	111.8	Y82	G80-Y82 VanDerWaalsContact C-N 3.28Å; G80-Y82 PolarHBondContact O-N 3.44Å
81	D	87.7	Confident	92.6	Very high	130 Å²	130	65 Å²	65	70%	0.695	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-0.8	178.8	-56	-30.6	0	0	0	113.4	T79 L83 S96	T79-D81 PolarHBondContact O-N 2.85Å; D81-L83 VanDerWaalsContact C-N 3.27Å; D81-L83 PolarHBondContact O-N 2.59Å; D81-S96 WeakPolarHBondContact O-CA 3.44Å; D81-S96 VanDerWaalsContact O-CB 3.24Å; D81-S96 WeakPolarHBondContact O-CB 2.97Å
82	Y	91.4	Very high	92.9	Very high	125 Å²	125	59.9 Å²	59.9	49%	0.49	34%	0.336	S	S	.	.	B	Isolated β-bridge	trans	-82.6	72.6	179.5	-61.6	-98.5	0	0	0	110.2	C77 T79 G80 C94 C95	C77-Y82 CarbonylContact C-O 3.44Å; C77-Y82 VanDerWaalsContact CB-O 3.32Å; C77-Y82 WeakPolarHBondContact CB-O 3.23Å; T79-Y82 VanDerWaalsContact O-CB 3.27Å; T79-Y82 WeakPolarHBondContact O-CB 3.04Å; T79-Y82 WeakPolarHBondContact O-CD2 3.05Å; T79-Y82 PolarHBondContact O-N 3.2Å; G80-Y82 VanDerWaalsContact C-N 3.28Å; G80-Y82 PolarHBondContact O-N 3.44Å; Y82-C94 WeakPolarHBondContact CD1-O 3.28Å; Y82-C95 CarbonylContact C-O 3.48Å; Y82-C95 WeakPolarHBondContact CA-O 3.39Å
83	L	93.3	Very high	93	Very high	47 Å²	47	62.4 Å²	62.4	25%	0.246	35%	0.346	C	S	.	.			trans	-100.2	-8.7	-174.7	-60.2	176.8	0	0	0	113.8	E58 E59 D81 C95	E58-L83 HydrophobicContact CG-CD2 4.42Å; E59-L83 WeakPolarHBondContact CB-O 3.45Å; E59-L83 PolarHBondContact N-O 2.96Å; D81-L83 VanDerWaalsContact C-N 3.27Å; D81-L83 PolarHBondContact O-N 2.59Å; L83-C95 PolarHBondContact N-O 2.99Å
84	Y	93.8	Very high	93.2	Very high	33 Å²	33	60.2 Å²	60.2	13%	0.129	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	143.2	-174.4	-55.4	-75.1	0	0	0	112.2	H56 C86 C94 C95 S96 K98	H56-Y84 PolarHBondContact CE1-OH 2.91Å; H56-Y84 AromaticContact ND1-CE1 3.81Å; H56-Y84 AromaticContact ND1-CZ 3.82Å; H56-Y84 PolarHBondContact ND1-OH 3.08Å; Y84-C86 PolarHBondContact O-SG 3.47Å; Y84-C94 CarbonylContact O-C 3.6Å; Y84-C94 VanDerWaalsContact O-CA 3.3Å; Y84-C94 WeakPolarHBondContact O-CA 3.27Å; Y84-C95 WeakPolarHBondContact CB-O 3.14Å; Y84-C95 PolarHBondContact N-O 3.3Å; Y84-C95 PolarHBondContact O-N 3.19Å; Y84-S96 WeakPolarHBondContact CD2-O 3.34Å; Y84-S96 VanDerWaalsContact CE2-O 3.27Å; Y84-S96 WeakPolarHBondContact CE2-O 3.23Å; Y84-K98 HydrophobicContact CD1-CB 4.4Å; Y84-K98 HydrophobicContact CD1-CG 4.29Å; Y84-K98 HydrophobicContact CD2-CB 4.46Å; Y84-K98 HydrophobicContact CE1-CB 3.87Å; Y84-K98 HydrophobicContact CE1-CD 4.28Å; Y84-K98 HydrophobicContact CE1-CG 3.72Å; Y84-K98 HydrophobicContact CE2-CB 3.96Å
85	C	95.4	Very high	93.2	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	117.2	170	-168.3	0	0	0	0	109.9	E59 C61 R101 L102	E59-C85 HydrophobicContact CG-CB 3.89Å; E59-C85 PolarHBondContact OE2-N 2.71Å; C61-C85 WeakPolarHBondContact CA-SG 3.46Å; C61-C85 HydrophobicContact CB-CB 4.18Å; C61-C85 WeakPolarHBondContact CB-SG 3.35Å; C61-C85 WeakPolarHBondContact SG-CA 3.49Å; C61-C85 WeakPolarHBondContact SG-CB 3.09Å; C61-C85 CovalentContact SG-SG 2.03Å; C61-C85 PolarHBondContact SG-SG 3.47Å; C85-R101 WeakPolarHBondContact O-CA 3.5Å; C85-L102 PolarHBondContact O-N 3.23Å
86	C	95.3	Very high	93.1	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	167.8	-172.7	-48.5	0	0	0	0	110.9	Y84 R92 F93 C95 S100	Y84-C86 PolarHBondContact O-SG 3.47Å; C86-R92 WeakPolarHBondContact O-CA 3.22Å; C86-F93 HydrophobicContact CB-CD2 4.37Å; C86-F93 HydrophobicContact CB-CE2 3.94Å; C86-F93 HydrophobicContact CB-CZ 4.09Å; C86-F93 PolarHBondContact N-O 2.61Å; C86-F93 PolarHBondContact O-N 3.16Å; C86-C95 HydrophobicContact CB-CB 3.64Å; C86-C95 WeakPolarHBondContact CB-SG 3Å; C86-C95 WeakPolarHBondContact SG-CB 3.39Å; C86-C95 CovalentContact SG-SG 2.02Å; C86-C95 PolarHBondContact SG-SG 3.01Å; C86-S100 WeakPolarHBondContact CB-O 3.17Å
87	G	94.7	Very high	93	Very high	30 Å²	30	59.5 Å²	59.5	31%	0.309	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	112.4	-132.4	179	0	0	0	0	0	113	F93	G87-F93 VanDerWaalsContact CA-CE1 3.44Å
88	T	94.3	Very high	92.7	Very high	80 Å²	80	63.1 Å²	63.1	49%	0.491	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	169.5	-177.4	69.6	0	0	0	0	110.9	G90 F91 R92 L102	T88-G90 PolarHBondContact O-N 3.32Å; T88-G90 VanDerWaalsContact O-N 3.08Å; T88-G90 PolarHBondContact OG1-N 2.75Å; T88-F91 PolarHBondContact N-O 2.84Å; T88-F91 CarbonylContact O-C 3.58Å; T88-F91 PolarHBondContact O-N 3.08Å; T88-F91 VanDerWaalsContact O-O 3.09Å; T88-F91 PolarHBondContact OG1-N 2.79Å; T88-R92 WeakPolarHBondContact O-CG 3.41Å; T88-L102 VanDerWaalsContact C-CD2 3.47Å; T88-L102 WeakPolarHBondContact O-CD2 3.2Å
89	C	92.9	Very high	92.6	Very high	41 Å²	41	64.3 Å²	64.3	28%	0.277	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-23.4	176.7	-66.6	0	0	0	0	114.3	C107	C89-C107 WeakPolarHBondContact CA-SG 3.42Å; C89-C107 HydrophobicContact CB-CB 3.71Å; C89-C107 WeakPolarHBondContact CB-SG 3.36Å; C89-C107 WeakPolarHBondContact SG-CA 3.39Å; C89-C107 WeakPolarHBondContact SG-CB 3.32Å; C89-C107 CovalentContact SG-SG 2.04Å; C89-C107 PolarHBondContact SG-SG 2.81Å
90	G	92.8	Very high	92.7	Very high	11 Å²	11	62.5 Å²	62.5	11%	0.113	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.1	7.8	180	0	0	0	0	0	114.9	Y64 D66 T88	Y64-G90 VanDerWaalsContact CE2-O 3.27Å; Y64-G90 WeakPolarHBondContact CE2-O 3.47Å; D66-G90 WeakPolarHBondContact CA-O 3.5Å; D66-G90 WeakPolarHBondContact CB-O 3.28Å; T88-G90 PolarHBondContact O-N 3.32Å; T88-G90 VanDerWaalsContact O-N 3.08Å; T88-G90 PolarHBondContact OG1-N 2.75Å
91	F	93.7	Very high	93	Very high	127 Å²	127	65.1 Å²	65.1	56%	0.557	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-161.1	113	172.4	179.8	-104.9	0	0	0	110.1	T88 F93	T88-F91 PolarHBondContact N-O 2.84Å; T88-F91 CarbonylContact O-C 3.58Å; T88-F91 PolarHBondContact O-N 3.08Å; T88-F91 VanDerWaalsContact O-O 3.09Å; T88-F91 PolarHBondContact OG1-N 2.79Å; F91-F93 HydrophobicContact CD1-CD1 4.02Å; F91-F93 HydrophobicContact CD1-CE1 4.39Å; F91-F93 AromaticContact CE1-CD1 3.68Å; F91-F93 HydrophobicContact CE1-CD1 3.68Å; F91-F93 HydrophobicContact CE1-CE1 4.2Å
92	R	95.1	Very high	93.3	Very high	8 Å²	8	60 Å²	60	3%	0.03	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	145.3	-174.2	-56.1	179.3	-165.4	-163.1	-6.4	111.8	C61 R62 Y64 F75 C86 T88 L102 Y110	C61-R92 HydrophobicContact CB-CB 4.49Å; R62-R92 PolarHBondContact O-NH1 2.79Å; Y64-R92 HydrophobicContact CD1-CB 4.23Å; Y64-R92 HydrophobicContact CD1-CG 3.68Å; Y64-R92 VanDerWaalsContact CD1-NE 3.27Å; Y64-R92 HydrophobicContact CE1-CB 3.6Å; Y64-R92 HydrophobicContact CE1-CG 3.5Å; Y64-R92 VanDerWaalsContact CE1-CG 3.5Å; Y64-R92 HydrophobicContact CG-CG 4.41Å; Y64-R92 PolarHBondContact OH-N 2.99Å; F75-R92 HydrophobicContact CE1-CB 4.21Å; F75-R92 HydrophobicContact CZ-CB 3.97Å; F75-R92 WeakPolarHBondContact CZ-O 3.37Å; C86-R92 WeakPolarHBondContact O-CA 3.22Å; T88-R92 WeakPolarHBondContact O-CG 3.41Å; R92-L102 HydrophobicContact CG-CD2 4.1Å; R92-Y110 PolarHBondContact NH1-OH 2.9Å; R92-Y110 PolarHBondContact NH2-OH 3.01Å
93	F	94.9	Very high	93.4	Very high	90 Å²	90	58.1 Å²	58.1	40%	0.395	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	159.7	176.5	59.8	-86.6	0	0	0	110.9	C86 G87 F91 C95	C86-F93 HydrophobicContact CB-CD2 4.37Å; C86-F93 HydrophobicContact CB-CE2 3.94Å; C86-F93 HydrophobicContact CB-CZ 4.09Å; C86-F93 PolarHBondContact N-O 2.61Å; C86-F93 PolarHBondContact O-N 3.16Å; G87-F93 VanDerWaalsContact CA-CE1 3.44Å; F91-F93 HydrophobicContact CD1-CD1 4.02Å; F91-F93 HydrophobicContact CD1-CE1 4.39Å; F91-F93 AromaticContact CE1-CD1 3.68Å; F91-F93 HydrophobicContact CE1-CD1 3.68Å; F91-F93 HydrophobicContact CE1-CE1 4.2Å; F93-C95 HydrophobicContact CD2-CB 4.29Å; F93-C95 HydrophobicContact CE2-CB 3.95Å
94	C	95.6	Very high	93.4	Very high	36 Å²	36	56.2 Å²	56.2	24%	0.243	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	134	174.7	-59	0	0	0	0	110.8	F75 C77 Y82 Y84	F75-C94 VanDerWaalsContact CE2-SG 3.55Å; C77-C94 WeakPolarHBondContact CA-SG 3.39Å; C77-C94 HydrophobicContact CB-CB 3.75Å; C77-C94 WeakPolarHBondContact CB-SG 3.43Å; C77-C94 WeakPolarHBondContact SG-CA 3.43Å; C77-C94 WeakPolarHBondContact SG-CB 3.42Å; C77-C94 CovalentContact SG-SG 2.04Å; C77-C94 PolarHBondContact SG-SG 2.86Å; Y82-C94 WeakPolarHBondContact CD1-O 3.28Å; Y84-C94 CarbonylContact O-C 3.6Å; Y84-C94 VanDerWaalsContact O-CA 3.3Å; Y84-C94 WeakPolarHBondContact O-CA 3.27Å
95	C	94.7	Very high	93.2	Very high	15 Å²	15	58.7 Å²	58.7	10%	0.101	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	162.1	174.3	90.7	0	0	0	0	111.7	Y82 L83 Y84 C86 F93 L97	Y82-C95 CarbonylContact C-O 3.48Å; Y82-C95 WeakPolarHBondContact CA-O 3.39Å; L83-C95 PolarHBondContact N-O 2.99Å; Y84-C95 WeakPolarHBondContact CB-O 3.14Å; Y84-C95 PolarHBondContact N-O 3.3Å; Y84-C95 PolarHBondContact O-N 3.19Å; C86-C95 HydrophobicContact CB-CB 3.64Å; C86-C95 WeakPolarHBondContact CB-SG 3Å; C86-C95 WeakPolarHBondContact SG-CB 3.39Å; C86-C95 CovalentContact SG-SG 2.02Å; C86-C95 PolarHBondContact SG-SG 3.01Å; F93-C95 HydrophobicContact CD2-CB 4.29Å; F93-C95 HydrophobicContact CE2-CB 3.95Å; C95-L97 PolarHBondContact SG-O 3.12Å; C95-L97 VanDerWaalsContact SG-O 3.42Å
96	S	93.3	Very high	93	Very high	66 Å²	66	63 Å²	63	46%	0.462	35%	0.347	S	S	.	.	S	Bend	trans	-93.9	-14.2	178.8	57.5	0	0	0	0	113.9	D81 Y84	D81-S96 WeakPolarHBondContact O-CA 3.44Å; D81-S96 VanDerWaalsContact O-CB 3.24Å; D81-S96 WeakPolarHBondContact O-CB 2.97Å; Y84-S96 WeakPolarHBondContact CD2-O 3.34Å; Y84-S96 VanDerWaalsContact CE2-O 3.27Å; Y84-S96 WeakPolarHBondContact CE2-O 3.23Å
97	L	91.1	Very high	92.8	Very high	98 Å²	98	63.4 Å²	63.4	51%	0.513	35%	0.349	S	S	.	.			trans	-93.7	109	-176.3	-175	61.5	0	0	0	111.3	C95 Q99 S100	C95-L97 PolarHBondContact SG-O 3.12Å; C95-L97 VanDerWaalsContact SG-O 3.42Å; L97-Q99 HydrophobicContact CD1-CB 4.4Å; L97-Q99 HydrophobicContact CD1-CG 4.43Å; L97-Q99 HydrophobicContact CD2-CB 4.44Å; L97-Q99 HydrophobicContact CG-CB 4.11Å; L97-Q99 PolarHBondContact O-N 3.04Å; L97-S100 PolarHBondContact O-N 2.84Å
98	K	89.2	Confident	92.5	Very high	77 Å²	77	71.1 Å²	71.1	34%	0.335	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-55.1	-34.5	177.5	-170.6	-177.8	174.8	-169.5	0	113.8	E53 Y84 S100 R101	E53-K98 WeakPolarHBondContact OE1-CE 3.34Å; E53-K98 IonicContact OE1-NZ 2.53Å; E53-K98 PolarHBondContact OE1-NZ 2.63Å; E53-K98 WeakPolarHBondContact OE2-CE 2.94Å; E53-K98 IonicContact OE2-NZ 2.76Å; E53-K98 PolarHBondContact OE2-NZ 2.91Å; Y84-K98 HydrophobicContact CD1-CB 4.4Å; Y84-K98 HydrophobicContact CD1-CG 4.29Å; Y84-K98 HydrophobicContact CD2-CB 4.46Å; Y84-K98 HydrophobicContact CE1-CB 3.87Å; Y84-K98 HydrophobicContact CE1-CD 4.28Å; Y84-K98 HydrophobicContact CE1-CG 3.72Å; Y84-K98 HydrophobicContact CE2-CB 3.96Å; K98-S100 PolarHBondContact O-N 3.02Å; K98-R101 WeakPolarHBondContact O-CB 3.45Å; K98-R101 PolarHBondContact O-N 2.75Å; K98-R101 VanDerWaalsContact O-N 3.08Å
99	Q	89	Confident	92.1	Very high	172 Å²	172	69.8 Å²	69.8	80%	0.804	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-65	-22.5	179.9	-62.6	-65.3	-28	0	0	113	L97	L97-Q99 HydrophobicContact CD1-CB 4.4Å; L97-Q99 HydrophobicContact CD1-CG 4.43Å; L97-Q99 HydrophobicContact CD2-CB 4.44Å; L97-Q99 HydrophobicContact CG-CB 4.11Å; L97-Q99 PolarHBondContact O-N 3.04Å
100	S	91.1	Very high	91.3	Very high	65 Å²	65	70.5 Å²	70.5	46%	0.455	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-96.3	7.7	177.4	-57.6	0	0	0	0	112.9	C86 L97 K98 L102	C86-S100 WeakPolarHBondContact CB-O 3.17Å; L97-S100 PolarHBondContact O-N 2.84Å; K98-S100 PolarHBondContact O-N 3.02Å; S100-L102 PolarHBondContact O-N 3.09Å
101	R	93.9	Very high	90.2	Very high	117 Å²	117	75.4 Å²	75.4	44%	0.442	39%	0.385	S	S	.	.	B	Isolated β-bridge	trans	-62	129.3	178.2	-177.8	-175.6	174.3	-132.9	-5.9	110.1	E59 C85 K98	E59-R101 VanDerWaalsContact CD-NE 3.29Å; E59-R101 IonicContact OE1-CZ 3.04Å; E59-R101 IonicContact OE1-NE 3.87Å; E59-R101 PolarHBondContact OE1-NE 3.29Å; E59-R101 IonicContact OE1-NH2 2.91Å; E59-R101 PolarHBondContact OE1-NH2 3.06Å; E59-R101 WeakPolarHBondContact OE2-CG 2.94Å; E59-R101 IonicContact OE2-NE 3.96Å; E59-R101 PolarHBondContact OE2-NE 3.42Å; E59-R101 VanDerWaalsContact OE2-NE 3.07Å; C85-R101 WeakPolarHBondContact O-CA 3.5Å; K98-R101 WeakPolarHBondContact O-CB 3.45Å; K98-R101 PolarHBondContact O-N 2.75Å; K98-R101 VanDerWaalsContact O-N 3.08Å
102	L	94.6	Very high	88.7	Confident	22 Å²	22	71 Å²	71	12%	0.115	37%	0.369	C	S	.	.			trans	-78.3	125.3	175.1	176.5	66.6	0	0	0	109.5	C85 T88 R92 S100 Q104	C85-L102 PolarHBondContact O-N 3.23Å; T88-L102 VanDerWaalsContact C-CD2 3.47Å; T88-L102 WeakPolarHBondContact O-CD2 3.2Å; R92-L102 HydrophobicContact CG-CD2 4.1Å; S100-L102 PolarHBondContact O-N 3.09Å; L102-Q104 VanDerWaalsContact C-N 3.34Å; L102-Q104 HydrophobicContact CD2-CG 4.49Å; L102-Q104 PolarHBondContact O-N 3.28Å
103	D	93.8	Very high	87	Confident	85 Å²	85	72.3 Å²	72.3	46%	0.455	38%	0.378	S	S	.	.			trans	-74.7	91	167.7	-176.7	3.5	0	0	0	110.4	S105 T106	D103-S105 VanDerWaalsContact CG-OG 3.27Å; D103-S105 PolarHBondContact O-N 3.05Å; D103-S105 VanDerWaalsContact O-N 3.12Å; D103-S105 WeakPolarHBondContact OD1-CB 3.01Å; D103-S105 PolarHBondContact OD1-N 3.38Å; D103-S105 VanDerWaalsContact OD1-N 3.08Å; D103-S105 PolarHBondContact OD1-OG 2.94Å; D103-S105 PolarHBondContact OD2-OG 3.44Å; D103-T106 HydrophobicContact CB-CG2 4.25Å; D103-T106 PolarHBondContact O-N 3.42Å; D103-T106 PolarHBondContact O-OG1 2.93Å; D103-T106 WeakPolarHBondContact OD2-CG2 3.12Å
104	Q	92.1	Very high	85.2	Confident	8 Å²	8	73.1 Å²	73.1	4%	0.037	39%	0.39	C	S	.	.	G	3₁₀ helix	trans	-61.5	-20.7	-177.1	-60.7	-175.8	63.9	0	0	113.3	E59 Q60 R62 L102 T106 C107 Y110	E59-Q104 PolarHBondContact OE1-NE2 3.12Å; Q60-Q104 PolarHBondContact O-NE2 2.8Å; R62-Q104 VanDerWaalsContact NH2-CB 3.31Å; R62-Q104 PolarHBondContact NH2-O 2.86Å; L102-Q104 VanDerWaalsContact C-N 3.34Å; L102-Q104 HydrophobicContact CD2-CG 4.49Å; L102-Q104 PolarHBondContact O-N 3.28Å; Q104-T106 VanDerWaalsContact C-N 3.26Å; Q104-T106 PolarHBondContact O-N 3.47Å; Q104-C107 WeakPolarHBondContact O-CB 3.3Å; Q104-C107 PolarHBondContact O-N 2.92Å; Q104-Y110 PolarHBondContact O-OH 3.42Å
105	S	90.1	Very high	83.3	Confident	84 Å²	84	80.1 Å²	80.1	59%	0.587	41%	0.412	S	S	*	.	G	3₁₀ helix	trans	-68.1	-28.3	-177.7	71.9	0	0	0	0	112.4	R62 D103 C107	R62-S105 VanDerWaalsContact NH2-N 3.16Å; D103-S105 VanDerWaalsContact CG-OG 3.27Å; D103-S105 PolarHBondContact O-N 3.05Å; D103-S105 VanDerWaalsContact O-N 3.12Å; D103-S105 WeakPolarHBondContact OD1-CB 3.01Å; D103-S105 PolarHBondContact OD1-N 3.38Å; D103-S105 VanDerWaalsContact OD1-N 3.08Å; D103-S105 PolarHBondContact OD1-OG 2.94Å; D103-S105 PolarHBondContact OD2-OG 3.44Å; S105-C107 VanDerWaalsContact C-N 3.27Å; S105-C107 PolarHBondContact O-N 3.42Å
106	T	91.9	Very high	81.4	Confident	91 Å²	91	81.7 Å²	81.7	56%	0.558	42%	0.418	S	S	*	.	G	3₁₀ helix	trans	-74.2	-18.9	178	65.7	0	0	0	0	113.2	D103 Q104	D103-T106 HydrophobicContact CB-CG2 4.25Å; D103-T106 PolarHBondContact O-N 3.42Å; D103-T106 PolarHBondContact O-OG1 2.93Å; D103-T106 WeakPolarHBondContact OD2-CG2 3.12Å; Q104-T106 VanDerWaalsContact C-N 3.26Å; Q104-T106 PolarHBondContact O-N 3.47Å
107	C	91	Very high	79.6	Confident	8 Å²	8	83.8 Å²	83.8	5%	0.054	42%	0.419	C	S	.	.			trans	-76	136.9	-178.5	-58.2	0	0	0	0	111.1	C89 Q104 S105 Y110	C89-C107 WeakPolarHBondContact CA-SG 3.42Å; C89-C107 HydrophobicContact CB-CB 3.71Å; C89-C107 WeakPolarHBondContact CB-SG 3.36Å; C89-C107 WeakPolarHBondContact SG-CA 3.39Å; C89-C107 WeakPolarHBondContact SG-CB 3.32Å; C89-C107 CovalentContact SG-SG 2.04Å; C89-C107 PolarHBondContact SG-SG 2.81Å; Q104-C107 WeakPolarHBondContact O-CB 3.3Å; Q104-C107 PolarHBondContact O-N 2.92Å; S105-C107 VanDerWaalsContact C-N 3.27Å; S105-C107 PolarHBondContact O-N 3.42Å; C107-Y110 HydrophobicContact CB-CE2 3.73Å; C107-Y110 VanDerWaalsContact O-CD2 3.31Å; C107-Y110 WeakPolarHBondContact O-CD2 3.41Å; C107-Y110 WeakPolarHBondContact O-CE2 3.02Å
108	K	87.7	Confident	77.8	Confident	193 Å²	193	84.6 Å²	84.6	84%	0.839	43%	0.428	S	S	*	.			trans	-109.4	2.9	174.4	-61.2	-173.3	178.1	-174.8	0	113.4	Y110	K108-Y110 PolarHBondContact O-N 3.18Å
109	N	85.5	Confident	75.8	Confident	52 Å²	52	83.4 Å²	83.4	28%	0.278	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	39.8	-171.8	-153.1	13.5	0	0	0	113.7	Y64 Y65	Y64-N109 WeakPolarHBondContact CA-O 3.49Å; Y65-N109 WeakPolarHBondContact CB-OD1 3.41Å; Y65-N109 PolarHBondContact N-O 3.3Å; Y65-N109 PolarHBondContact O-ND2 2.77Å
110	Y	77.1	Confident	73.7	Confident	55 Å²	55	82.3 Å²	82.3	22%	0.216	43%	0.432	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	-33	-179.8	-60.4	-63.3	0	0	0	111.2	R62 G63 W71 R92 Q104 C107 K108	R62-Y110 HydrophobicContact CB-CD1 4.33Å; R62-Y110 HydrophobicContact CB-CE1 3.57Å; R62-Y110 PolarHBondContact NE-OH 2.85Å; G63-Y110 WeakPolarHBondContact O-CD1 2.99Å; G63-Y110 WeakPolarHBondContact O-CE1 3.31Å; W71-Y110 WeakPolarHBondContact CZ3-O 3.44Å; R92-Y110 PolarHBondContact NH1-OH 2.9Å; R92-Y110 PolarHBondContact NH2-OH 3.01Å; Q104-Y110 PolarHBondContact O-OH 3.42Å; C107-Y110 HydrophobicContact CB-CE2 3.73Å; C107-Y110 VanDerWaalsContact O-CD2 3.31Å; C107-Y110 WeakPolarHBondContact O-CD2 3.41Å; C107-Y110 WeakPolarHBondContact O-CE2 3.02Å; K108-Y110 PolarHBondContact O-N 3.18Å
111	D	69.1	Low	71.4	Confident	115 Å²	115	84.1 Å²	84.1	62%	0.615	44%	0.441	S	S	*	.	S	Bend	trans	-83.4	132	173.8	-71.4	-53.9	0	0	0	109.8	P113	D111-P113 WeakPolarHBondContact O-CD 3.46Å
112	T	63.1	Low	69	Low	34 Å²	34	85.3 Å²	85.3	21%	0.209	46%	0.464	C	S	.	.	P	Polyproline II helix	trans	-53	118.8	166	-29.1	0	0	0	0	106.7	Y65 V114 M116 K117	Y65-T112 HydrophobicContact CE1-CG2 4.21Å; Y65-T112 VanDerWaalsContact CE2-CA 3.45Å; Y65-T112 HydrophobicContact CE2-CG2 4.29Å; Y65-T112 WeakPolarHBondContact OH-CB 3.37Å; Y65-T112 WeakPolarHBondContact OH-CG2 3.08Å; Y65-T112 PolarHBondContact OH-OG1 2.87Å; T112-V114 PolarHBondContact O-N 3.42Å; T112-M116 HydrophobicContact CG2-CB 3.77Å; T112-M116 HydrophobicContact CG2-CG 3.74Å; T112-M116 HydrophobicContact CG2-SD 3.7Å; T112-K117 HydrophobicContact CG2-CG 4.35Å; T112-K117 WeakPolarHBondContact O-CE 3.31Å
113	P	58.3	Low	66.9	Low	35 Å²	35	93.7 Å²	93.7	23%	0.227	50%	0.495	C	S	.	.	P	Polyproline II helix	trans	-61.7	146.4	-176.4	25.9	-34.9	0	0	0	109.1	D111 W115 M116 K117	D111-P113 WeakPolarHBondContact O-CD 3.46Å; P113-W115 HydrophobicContact CB-CD2 4.39Å; P113-W115 HydrophobicContact CB-CG 4.36Å; P113-W115 HydrophobicContact CB-CZ2 4.24Å; P113-W115 HydrophobicContact CG-CD2 4.05Å; P113-W115 HydrophobicContact CG-CH2 4.21Å; P113-W115 HydrophobicContact CG-CZ2 3.39Å; P113-W115 PolarHBondContact O-N 3.05Å; P113-M116 HydrophobicContact CG-CB 4.12Å; P113-M116 WeakPolarHBondContact O-CA 3.31Å; P113-M116 WeakPolarHBondContact O-CB 3.48Å; P113-M116 PolarHBondContact O-N 2.9Å; P113-K117 PolarHBondContact O-N 3.5Å
114	V	57.4	Low	64.6	Low	108 Å²	108	97.7 Å²	97.7	66%	0.655	51%	0.509	S	S	*	.	H	α-helix	trans	-54.9	-32.9	-167.4	-176.5	0	0	0	0	112.3	T112 M116 K117 T118	T112-V114 PolarHBondContact O-N 3.42Å; V114-M116 VanDerWaalsContact C-N 3.26Å; V114-M116 PolarHBondContact O-N 3.28Å; V114-K117 PolarHBondContact O-N 3.25Å; V114-T118 PolarHBondContact O-N 3.4Å; V114-T118 PolarHBondContact O-OG1 2.92Å; V114-T118 VanDerWaalsContact O-OG1 3.08Å
115	W	55.7	Low	62.2	Low	182 Å²	182	106.7 Å²	106.7	69%	0.689	55%	0.547	S	S	*	.	H	α-helix	trans	-62.6	-28.5	174.3	57.6	-100.3	0	0	0	114	P113 G119	P113-W115 HydrophobicContact CB-CD2 4.39Å; P113-W115 HydrophobicContact CB-CG 4.36Å; P113-W115 HydrophobicContact CB-CZ2 4.24Å; P113-W115 HydrophobicContact CG-CD2 4.05Å; P113-W115 HydrophobicContact CG-CH2 4.21Å; P113-W115 HydrophobicContact CG-CZ2 3.39Å; P113-W115 PolarHBondContact O-N 3.05Å; W115-G119 PolarHBondContact O-N 3.09Å
116	M	55.5	Low	59.8	Low	48 Å²	48	110.3 Å²	110.3	24%	0.236	56%	0.557	C	S	.	*	H	α-helix	trans	-86.4	-25.7	176.1	-165.2	-178.5	-78.6	0	0	111.9	Y65 G69 T112 P113 V114	Y65-M116 HydrophobicContact CD1-SD 4.26Å; Y65-M116 HydrophobicContact CE1-SD 3.83Å; G69-M116 WeakPolarHBondContact O-CE 3.44Å; T112-M116 HydrophobicContact CG2-CB 3.77Å; T112-M116 HydrophobicContact CG2-CG 3.74Å; T112-M116 HydrophobicContact CG2-SD 3.7Å; P113-M116 HydrophobicContact CG-CB 4.12Å; P113-M116 WeakPolarHBondContact O-CA 3.31Å; P113-M116 WeakPolarHBondContact O-CB 3.48Å; P113-M116 PolarHBondContact O-N 2.9Å; V114-M116 VanDerWaalsContact C-N 3.26Å; V114-M116 PolarHBondContact O-N 3.28Å
117	K	55.1	Low	57.5	Low	110 Å²	110	113 Å²	113	48%	0.478	57%	0.568	S	S	.	*	H	α-helix	trans	-70	-38.4	168.6	-60.3	-170.3	-162.5	-176	0	111.9	T112 P113 V114 G119 Q120	T112-K117 HydrophobicContact CG2-CG 4.35Å; T112-K117 WeakPolarHBondContact O-CE 3.31Å; P113-K117 PolarHBondContact O-N 3.5Å; V114-K117 PolarHBondContact O-N 3.25Å; K117-G119 VanDerWaalsContact C-N 3.33Å; K117-Q120 PolarHBondContact O-N 2.89Å
118	T	51.9	Low	55.2	Low	116 Å²	116	121.5 Å²	121.5	71%	0.712	60%	0.604	S	S	*	*	H	α-helix	trans	-75.7	-20.8	177.7	-52.4	0	0	0	0	112.9	V114 Q120	V114-T118 PolarHBondContact O-N 3.4Å; V114-T118 PolarHBondContact O-OG1 2.92Å; V114-T118 VanDerWaalsContact O-OG1 3.08Å; T118-Q120 VanDerWaalsContact C-N 3.34Å
119	G	47.3	Very low	53.1	Low	51 Å²	51	119.2 Å²	119.2	53%	0.526	60%	0.598	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80.2	-8	174.7	0	0	0	0	0	114.9	W115 K117 T121	W115-G119 PolarHBondContact O-N 3.09Å; K117-G119 VanDerWaalsContact C-N 3.33Å; G119-T121 PolarHBondContact O-N 3.46Å
120	Q	45.5	Very low	51.4	Low	149 Å²	149	123.1 Å²	123.1	70%	0.696	62%	0.615	S	S	*	*			trans	-76.9	67.3	173.4	-72.7	-173.5	-25.5	0	0	111.2	K117 T118	K117-Q120 PolarHBondContact O-N 2.89Å; T118-Q120 VanDerWaalsContact C-N 3.34Å
121	T	43.9	Very low	49.8	Very low	104 Å²	104	123.8 Å²	123.8	64%	0.638	62%	0.622	S	S	*	*	S	Bend	trans	-54.6	151.7	133.2	58.2	0	0	0	0	107.5	G119 Y123	G119-T121 PolarHBondContact O-N 3.46Å; T121-Y123 PolarHBondContact O-N 3.26Å
122	P	43.6	Very low	49	Very low	141 Å²	141	120.2 Å²	120.2	92%	0.916	61%	0.606	S	S	*	*	S	Bend	trans	-67.9	78.5	-164.5	29.5	-35.4	0	0	0	111.7
123	Y	48.8	Very low	48.6	Very low	198 Å²	198	123.4 Å²	123.4	78%	0.776	63%	0.626	S	S	*	*			trans	-121.8	59.3	-179.4	-164.5	-92	0	0	0	108.6	T121	T121-Y123 PolarHBondContact O-N 3.26Å
124	K	46.2	Very low	48.4	Very low	170 Å²	170	128.1 Å²	128.1	74%	0.739	64%	0.643	S	S	*	*			trans	167.4	88.3	142.4	-102	-178	170.4	177.2	0	108.5
125	K	42	Very low	48.2	Very low	196 Å²	196	126.2 Å²	126.2	85%	0.852	63%	0.629	S	S	*	*	S	Bend	trans	-123.7	125.4	133	-155.1	176.1	-176.8	176.9	0	106.9
126	M	39.4	Very low	48.5	Very low	160 Å²	160	122.9 Å²	122.9	79%	0.788	62%	0.619	S	S	*	*			trans	92.6	88.2	170.3	-46.7	-170.5	111.5	0	0	115.5	K128	M126-K128 PolarHBondContact O-N 2.87Å
127	N	43.4	Very low	48.8	Very low	149 Å²	149	125 Å²	125	80%	0.797	63%	0.634	S	S	*	*	S	Bend	trans	-43.9	82	136.7	-66.3	-57	0	0	0	110.6
128	K	42.1	Very low	49.3	Very low	185 Å²	185	123 Å²	123	80%	0.804	63%	0.629	S	S	*	*			trans	-169.6	44.2	148.2	-141	178.8	-177.8	176.5	0	109.5	M126 H130	M126-K128 PolarHBondContact O-N 2.87Å; K128-H130 PolarHBondContact O-N 3.37Å
129	M	44.5	Very low	50.2	Low	146 Å²	146	122.7 Å²	122.7	72%	0.719	62%	0.623	S	S	*	*			trans	-73.5	68.8	154.6	-166.7	75.7	163.7	0	0	106.1	D131	M129-D131 PolarHBondContact O-N 3.36Å; M129-D131 VanDerWaalsContact O-N 3.12Å
130	H	50.3	Low	51.6	Low	133 Å²	133	125.1 Å²	125.1	62%	0.616	62%	0.622	S	S	*	*			trans	-49.2	120	152	-163.2	-87.7	0	0	0	104.2	K128 S132 D135	K128-H130 PolarHBondContact O-N 3.37Å; H130-S132 WeakPolarHBondContact O-CA 3.25Å; H130-S132 PolarHBondContact O-N 2.96Å; H130-D135 IonicContact CE1-OD2 3.07Å; H130-D135 IonicContact ND1-OD1 2.92Å; H130-D135 IonicContact ND1-OD2 3.37Å; H130-D135 PolarHBondContact ND1-OD2 3.46Å
131	D	43.2	Very low	53.1	Low	70 Å²	70	122.1 Å²	122.1	37%	0.374	61%	0.614	S	S	.	*			trans	-25.7	76.7	-178.5	-172.6	-1.5	0	0	0	114	M129 T133 K134 D135	M129-D131 PolarHBondContact O-N 3.36Å; M129-D131 VanDerWaalsContact O-N 3.12Å; D131-T133 PolarHBondContact O-N 2.97Å; D131-T133 VanDerWaalsContact O-N 3.09Å; D131-T133 PolarHBondContact OD1-OG1 3.4Å; D131-K134 HydrophobicContact CB-CB 4.17Å; D131-K134 PolarHBondContact O-N 3.35Å; D131-K134 WeakPolarHBondContact OD1-CB 3.4Å; D131-K134 PolarHBondContact OD1-N 3.47Å; D131-K134 WeakPolarHBondContact OD2-CB 3.1Å; D131-K134 WeakPolarHBondContact OD2-CD 3.29Å; D131-D135 PolarHBondContact O-N 3.48Å
132	S	52.6	Low	54.4	Low	39 Å²	39	125.2 Å²	125.2	27%	0.273	62%	0.615	S	S	.	*	H	α-helix	trans	-71.7	-10.8	-172.8	-167.9	0	0	0	0	111.1	H130 K136	H130-S132 WeakPolarHBondContact O-CA 3.25Å; H130-S132 PolarHBondContact O-N 2.96Å; S132-K136 VanDerWaalsContact O-CG 3.23Å; S132-K136 WeakPolarHBondContact O-CG 3.26Å; S132-K136 PolarHBondContact O-N 2.94Å; S132-K136 PolarHBondContact O-NZ 3.47Å; S132-K136 PolarHBondContact OG-NZ 3.47Å
133	T	54.6	Low	56	Low	102 Å²	102	123.7 Å²	123.7	63%	0.626	60%	0.598	S	S	*	*	H	α-helix	trans	-78.3	-42.5	171.5	32.5	0	0	0	0	111.6	D131	D131-T133 PolarHBondContact O-N 2.97Å; D131-T133 VanDerWaalsContact O-N 3.09Å; D131-T133 PolarHBondContact OD1-OG1 3.4Å
134	K	53.5	Low	57.5	Low	134 Å²	134	119.2 Å²	119.2	58%	0.583	59%	0.587	S	S	*	*	H	α-helix	trans	-77.3	-31.1	173.9	-168.9	171.1	173.9	179.9	0	112.4	D131 K136 T137 N138	D131-K134 HydrophobicContact CB-CB 4.17Å; D131-K134 PolarHBondContact O-N 3.35Å; D131-K134 WeakPolarHBondContact OD1-CB 3.4Å; D131-K134 PolarHBondContact OD1-N 3.47Å; D131-K134 WeakPolarHBondContact OD2-CB 3.1Å; D131-K134 WeakPolarHBondContact OD2-CD 3.29Å; K134-K136 VanDerWaalsContact C-N 3.27Å; K134-K136 PolarHBondContact O-N 2.84Å; K134-T137 PolarHBondContact O-N 3.36Å; K134-N138 PolarHBondContact O-N 3.08Å; K134-N138 PolarHBondContact O-ND2 3.06Å
135	D	54.3	Low	59	Low	68 Å²	68	114.8 Å²	114.8	36%	0.364	58%	0.577	S	S	.	*	H	α-helix	trans	-64.5	-32	173.1	-72.5	-32.7	0	0	0	111.6	H130 D131 L139	H130-D135 IonicContact CE1-OD2 3.07Å; H130-D135 IonicContact ND1-OD1 2.92Å; H130-D135 IonicContact ND1-OD2 3.37Å; H130-D135 PolarHBondContact ND1-OD2 3.46Å; D131-D135 PolarHBondContact O-N 3.48Å; D135-L139 WeakPolarHBondContact O-CB 3.27Å; D135-L139 PolarHBondContact O-N 2.82Å
136	K	61.2	Low	60.8	Low	112 Å²	112	106.9 Å²	106.9	49%	0.487	55%	0.551	S	S	.	*	H	α-helix	trans	-64.4	-44.6	176.3	-81.2	173.8	-171.2	78	0	112.7	S132 K134 I140	S132-K136 VanDerWaalsContact O-CG 3.23Å; S132-K136 WeakPolarHBondContact O-CG 3.26Å; S132-K136 PolarHBondContact O-N 2.94Å; S132-K136 PolarHBondContact O-NZ 3.47Å; S132-K136 PolarHBondContact OG-NZ 3.47Å; K134-K136 VanDerWaalsContact C-N 3.27Å; K134-K136 PolarHBondContact O-N 2.84Å; K136-I140 WeakPolarHBondContact O-CB 3.49Å; K136-I140 VanDerWaalsContact O-CD1 3.3Å; K136-I140 WeakPolarHBondContact O-CD1 3.4Å; K136-I140 WeakPolarHBondContact O-CG1 3.29Å; K136-I140 PolarHBondContact O-N 3.03Å
137	T	62.3	Low	62.8	Low	91 Å²	91	103.4 Å²	103.4	56%	0.558	54%	0.538	S	S	*	.	H	α-helix	trans	-70.1	-41.3	179.4	-40.5	0	0	0	0	111.7	K134 I140 V141	K134-T137 PolarHBondContact O-N 3.36Å; T137-I140 PolarHBondContact O-N 2.99Å; T137-V141 WeakPolarHBondContact O-CB 3.48Å; T137-V141 VanDerWaalsContact O-CG2 3.27Å; T137-V141 WeakPolarHBondContact O-CG2 3.45Å; T137-V141 PolarHBondContact O-N 3.47Å
138	N	64.2	Low	64.6	Low	70 Å²	70	101 Å²	101	37%	0.374	53%	0.528	S	S	.	.	H	α-helix	trans	-63.2	-46.5	175.5	-75	-72.1	0	0	0	110.6	K134 I140 V141 Y142	K134-N138 PolarHBondContact O-N 3.08Å; K134-N138 PolarHBondContact O-ND2 3.06Å; N138-I140 PolarHBondContact O-N 2.86Å; N138-V141 PolarHBondContact O-N 3.33Å; N138-Y142 HydrophobicContact CB-CD2 4.27Å; N138-Y142 HydrophobicContact CB-CE2 4.13Å; N138-Y142 WeakPolarHBondContact O-CB 3.2Å; N138-Y142 WeakPolarHBondContact O-CD2 3.34Å; N138-Y142 PolarHBondContact O-N 3.34Å
139	L	72.4	Confident	66.3	Low	109 Å²	109	94.4 Å²	94.4	57%	0.571	51%	0.509	S	S	*	.	H	α-helix	trans	-58.6	-48.3	176.8	-175.7	68.4	0	0	0	111.4	D135 V141 Y142 I143	D135-L139 WeakPolarHBondContact O-CB 3.27Å; D135-L139 PolarHBondContact O-N 2.82Å; L139-V141 PolarHBondContact O-N 3.41Å; L139-Y142 PolarHBondContact O-N 2.82Å; L139-I143 HydrophobicContact CD1-CG1 4.46Å; L139-I143 WeakPolarHBondContact O-CG1 3.21Å; L139-I143 PolarHBondContact O-N 2.85Å
140	I	75.8	Confident	67.9	Low	101 Å²	101	92.4 Å²	92.4	52%	0.518	50%	0.5	S	S	.	.	H	α-helix	trans	-59.3	-46	178.3	-69	162.5	0	0	0	111	K136 T137 N138 I143 I144	K136-I140 WeakPolarHBondContact O-CB 3.49Å; K136-I140 VanDerWaalsContact O-CD1 3.3Å; K136-I140 WeakPolarHBondContact O-CD1 3.4Å; K136-I140 WeakPolarHBondContact O-CG1 3.29Å; K136-I140 PolarHBondContact O-N 3.03Å; T137-I140 PolarHBondContact O-N 2.99Å; N138-I140 PolarHBondContact O-N 2.86Å; I140-I143 PolarHBondContact O-N 3.44Å; I140-I144 HydrophobicContact CG2-CD1 3.74Å; I140-I144 VanDerWaalsContact O-CG1 3.29Å; I140-I144 WeakPolarHBondContact O-CG1 3.39Å; I140-I144 PolarHBondContact O-N 3.48Å
141	V	76.1	Confident	69.1	Low	87 Å²	87	92.4 Å²	92.4	53%	0.527	50%	0.502	S	S	.	.	H	α-helix	trans	-64.6	-41.8	178.4	172.7	0	0	0	0	111.6	T137 N138 L139 I144 C145	T137-V141 WeakPolarHBondContact O-CB 3.48Å; T137-V141 VanDerWaalsContact O-CG2 3.27Å; T137-V141 WeakPolarHBondContact O-CG2 3.45Å; T137-V141 PolarHBondContact O-N 3.47Å; N138-V141 PolarHBondContact O-N 3.33Å; L139-V141 PolarHBondContact O-N 3.41Å; V141-I144 PolarHBondContact O-N 3.32Å; V141-C145 WeakPolarHBondContact O-CB 3.33Å; V141-C145 PolarHBondContact O-N 2.95Å
142	Y	72.4	Confident	70.8	Confident	168 Å²	168	91.6 Å²	91.6	66%	0.659	51%	0.505	S	S	*	.	H	α-helix	trans	-64.4	-39.4	177.2	-79.6	-62.6	0	0	0	112.4	N138 L139 G146	N138-Y142 HydrophobicContact CB-CD2 4.27Å; N138-Y142 HydrophobicContact CB-CE2 4.13Å; N138-Y142 WeakPolarHBondContact O-CB 3.2Å; N138-Y142 WeakPolarHBondContact O-CD2 3.34Å; N138-Y142 PolarHBondContact O-N 3.34Å; L139-Y142 PolarHBondContact O-N 2.82Å; Y142-G146 PolarHBondContact O-N 3.31Å
143	I	77.4	Confident	72.2	Confident	109 Å²	109	94.2 Å²	94.2	56%	0.559	52%	0.515	S	S	*	.	H	α-helix	trans	-65.1	-47.3	176.4	-65.2	-67.4	0	0	0	110.4	L139 I140 G146 V147	L139-I143 HydrophobicContact CD1-CG1 4.46Å; L139-I143 WeakPolarHBondContact O-CG1 3.21Å; L139-I143 PolarHBondContact O-N 2.85Å; I140-I143 PolarHBondContact O-N 3.44Å; I143-G146 PolarHBondContact O-N 3.09Å; I143-V147 VanDerWaalsContact O-CG2 3.29Å; I143-V147 WeakPolarHBondContact O-CG2 3.35Å; I143-V147 PolarHBondContact O-N 2.82Å
144	I	79.9	Confident	73.5	Confident	104 Å²	104	92.9 Å²	92.9	53%	0.533	51%	0.506	S	S	.	.	H	α-helix	trans	-64.3	-47.5	178.7	-64.1	166.9	0	0	0	110.8	I140 V141 G146 V147 V148	I140-I144 HydrophobicContact CG2-CD1 3.74Å; I140-I144 VanDerWaalsContact O-CG1 3.29Å; I140-I144 WeakPolarHBondContact O-CG1 3.39Å; I140-I144 PolarHBondContact O-N 3.48Å; V141-I144 PolarHBondContact O-N 3.32Å; I144-G146 PolarHBondContact O-N 3.44Å; I144-V147 PolarHBondContact O-N 2.76Å; I144-V148 WeakPolarHBondContact O-CG2 3.17Å; I144-V148 PolarHBondContact O-N 3.07Å; I144-V148 VanDerWaalsContact O-N 3.08Å
145	C	77.9	Confident	74.5	Confident	78 Å²	78	88.1 Å²	88.1	53%	0.527	50%	0.496	S	S	.	.	H	α-helix	trans	-61.4	-43.8	179	-174.2	0	0	0	0	111.7	V141 V147 V148 A149	V141-C145 WeakPolarHBondContact O-CB 3.33Å; V141-C145 PolarHBondContact O-N 2.95Å; C145-V147 PolarHBondContact O-N 3.48Å; C145-V148 PolarHBondContact O-N 2.94Å; C145-A149 WeakPolarHBondContact O-CB 3.49Å; C145-A149 PolarHBondContact O-N 3.3Å
146	G	79.8	Confident	75.6	Confident	30 Å²	30	89.3 Å²	89.3	31%	0.309	50%	0.501	S	S	.	.	H	α-helix	trans	-61.4	-42.9	177	0	0	0	0	0	112.8	Y142 I143 I144 A149 I150	Y142-G146 PolarHBondContact O-N 3.31Å; I143-G146 PolarHBondContact O-N 3.09Å; I144-G146 PolarHBondContact O-N 3.44Å; G146-A149 PolarHBondContact O-N 3.48Å; G146-I150 VanDerWaalsContact O-CG1 3.25Å; G146-I150 WeakPolarHBondContact O-CG1 3.09Å; G146-I150 PolarHBondContact O-N 2.99Å
147	V	81.1	Confident	76.3	Confident	87 Å²	87	90.8 Å²	90.8	53%	0.527	51%	0.508	S	S	.	.	H	α-helix	trans	-64.3	-44.9	177.3	172.5	0	0	0	0	111.3	I143 I144 C145 A149 I150 M151	I143-V147 VanDerWaalsContact O-CG2 3.29Å; I143-V147 WeakPolarHBondContact O-CG2 3.35Å; I143-V147 PolarHBondContact O-N 2.82Å; I144-V147 PolarHBondContact O-N 2.76Å; C145-V147 PolarHBondContact O-N 3.48Å; V147-A149 VanDerWaalsContact C-N 3.35Å; V147-A149 PolarHBondContact O-N 3.11Å; V147-I150 PolarHBondContact O-N 3.18Å; V147-M151 HydrophobicContact CG1-CG 4.39Å; V147-M151 WeakPolarHBondContact O-CB 3.27Å; V147-M151 VanDerWaalsContact O-CG 3.26Å; V147-M151 WeakPolarHBondContact O-CG 3.37Å; V147-M151 PolarHBondContact O-N 2.82Å
148	V	80.3	Confident	76.6	Confident	97 Å²	97	89.9 Å²	89.9	59%	0.588	50%	0.502	S	S	*	.	H	α-helix	trans	-62.1	-43.2	177.6	174.4	0	0	0	0	111.1	I144 C145 M151 A152	I144-V148 WeakPolarHBondContact O-CG2 3.17Å; I144-V148 PolarHBondContact O-N 3.07Å; I144-V148 VanDerWaalsContact O-N 3.08Å; C145-V148 PolarHBondContact O-N 2.94Å; V148-M151 PolarHBondContact O-N 3.43Å; V148-A152 WeakPolarHBondContact O-CB 3.28Å; V148-A152 PolarHBondContact O-N 2.8Å
149	A	78.1	Confident	76.6	Confident	47 Å²	47	93.1 Å²	93.1	39%	0.388	51%	0.513	S	S	.	.	H	α-helix	trans	-62.1	-44.6	177.4	0	0	0	0	0	112.1	C145 G146 V147 A152 L153	C145-A149 WeakPolarHBondContact O-CB 3.49Å; C145-A149 PolarHBondContact O-N 3.3Å; G146-A149 PolarHBondContact O-N 3.48Å; V147-A149 VanDerWaalsContact C-N 3.35Å; V147-A149 PolarHBondContact O-N 3.11Å; A149-A152 PolarHBondContact O-N 3.48Å; A149-L153 VanDerWaalsContact O-CG 3.31Å; A149-L153 WeakPolarHBondContact O-CG 3.3Å; A149-L153 PolarHBondContact O-N 2.82Å
150	I	79.7	Confident	76	Confident	105 Å²	105	92.2 Å²	92.2	54%	0.538	51%	0.508	S	S	.	.	H	α-helix	trans	-64.4	-43	177.6	-67.4	166.1	0	0	0	110.9	G146 V147 A152 L153 V154	G146-I150 VanDerWaalsContact O-CG1 3.25Å; G146-I150 WeakPolarHBondContact O-CG1 3.09Å; G146-I150 PolarHBondContact O-N 2.99Å; V147-I150 PolarHBondContact O-N 3.18Å; I150-A152 VanDerWaalsContact C-N 3.34Å; I150-A152 PolarHBondContact O-N 3.25Å; I150-L153 PolarHBondContact O-N 3.2Å; I150-V154 HydrophobicContact CG2-CG2 4.3Å; I150-V154 WeakPolarHBondContact O-CB 3.41Å; I150-V154 VanDerWaalsContact O-CG2 3.31Å; I150-V154 WeakPolarHBondContact O-CG2 3.25Å; I150-V154 PolarHBondContact O-N 2.79Å
151	M	75.5	Confident	75.1	Confident	133 Å²	133	89.3 Å²	89.3	66%	0.655	50%	0.503	S	S	*	.	H	α-helix	trans	-62.5	-40.5	177	-71	-66	-74.9	0	0	112.1	V147 V148 G155	V147-M151 HydrophobicContact CG1-CG 4.39Å; V147-M151 WeakPolarHBondContact O-CB 3.27Å; V147-M151 VanDerWaalsContact O-CG 3.26Å; V147-M151 WeakPolarHBondContact O-CG 3.37Å; V147-M151 PolarHBondContact O-N 2.82Å; V148-M151 PolarHBondContact O-N 3.43Å; M151-G155 PolarHBondContact O-N 3.44Å
152	A	78.6	Confident	73.9	Confident	52 Å²	52	90.9 Å²	90.9	43%	0.43	51%	0.508	S	S	.	.	H	α-helix	trans	-65.6	-44.4	175.5	0	0	0	0	0	111.7	V148 A149 I150 G155 I156	V148-A152 WeakPolarHBondContact O-CB 3.28Å; V148-A152 PolarHBondContact O-N 2.8Å; A149-A152 PolarHBondContact O-N 3.48Å; I150-A152 VanDerWaalsContact C-N 3.34Å; I150-A152 PolarHBondContact O-N 3.25Å; A152-G155 PolarHBondContact O-N 3.46Å; A152-I156 WeakPolarHBondContact O-CB 3.33Å; A152-I156 WeakPolarHBondContact O-CD1 3.22Å; A152-I156 VanDerWaalsContact O-CG1 3.22Å; A152-I156 WeakPolarHBondContact O-CG1 3.49Å; A152-I156 PolarHBondContact O-N 3.4Å
153	L	82	Confident	73.1	Confident	95 Å²	95	88.1 Å²	88.1	50%	0.497	50%	0.501	S	S	.	.	H	α-helix	trans	-61	-50.1	175.9	-72	173.6	0	0	0	111.1	A149 I150 G155 I156 F157	A149-L153 VanDerWaalsContact O-CG 3.31Å; A149-L153 WeakPolarHBondContact O-CG 3.3Å; A149-L153 PolarHBondContact O-N 2.82Å; I150-L153 PolarHBondContact O-N 3.2Å; L153-G155 VanDerWaalsContact C-N 3.29Å; L153-G155 PolarHBondContact O-N 2.88Å; L153-I156 PolarHBondContact O-N 3.22Å; L153-F157 HydrophobicContact CB-CD2 4.34Å; L153-F157 HydrophobicContact CB-CE2 4.31Å; L153-F157 HydrophobicContact CD2-CE2 4.38Å; L153-F157 WeakPolarHBondContact O-CB 3.47Å; L153-F157 WeakPolarHBondContact O-CD2 3.22Å; L153-F157 PolarHBondContact O-N 2.86Å
154	V	80.2	Confident	71.6	Confident	73 Å²	73	91.4 Å²	91.4	44%	0.442	51%	0.511	S	S	.	.	H	α-helix	trans	-59.6	-41.7	176.8	173.5	0	0	0	0	110.7	I150 F157 T158	I150-V154 HydrophobicContact CG2-CG2 4.3Å; I150-V154 WeakPolarHBondContact O-CB 3.41Å; I150-V154 VanDerWaalsContact O-CG2 3.31Å; I150-V154 WeakPolarHBondContact O-CG2 3.25Å; I150-V154 PolarHBondContact O-N 2.79Å; V154-F157 PolarHBondContact O-N 3.18Å; V154-T158 WeakPolarHBondContact O-CB 3.43Å; V154-T158 PolarHBondContact O-N 3.37Å; V154-T158 PolarHBondContact O-OG1 2.94Å
155	G	74.9	Confident	70.1	Confident	35 Å²	35	89.4 Å²	89.4	36%	0.361	51%	0.51	S	S	.	.	H	α-helix	trans	-62	-42.3	176.2	0	0	0	0	0	113.4	M151 A152 L153 T158 K159	M151-G155 PolarHBondContact O-N 3.44Å; A152-G155 PolarHBondContact O-N 3.46Å; L153-G155 VanDerWaalsContact C-N 3.29Å; L153-G155 PolarHBondContact O-N 2.88Å; G155-T158 WeakPolarHBondContact CA-OG1 3.45Å; G155-T158 PolarHBondContact O-OG1 2.84Å; G155-K159 WeakPolarHBondContact O-CB 3.4Å; G155-K159 PolarHBondContact O-N 3.3Å
156	I	78.6	Confident	68.8	Low	93 Å²	93	92.9 Å²	92.9	48%	0.477	52%	0.519	S	S	.	.	H	α-helix	trans	-68	-46	175.5	-66.6	162.1	0	0	0	110.2	A152 L153 T158 K159 L160	A152-I156 WeakPolarHBondContact O-CB 3.33Å; A152-I156 WeakPolarHBondContact O-CD1 3.22Å; A152-I156 VanDerWaalsContact O-CG1 3.22Å; A152-I156 WeakPolarHBondContact O-CG1 3.49Å; A152-I156 PolarHBondContact O-N 3.4Å; L153-I156 PolarHBondContact O-N 3.22Å; I156-T158 VanDerWaalsContact C-N 3.34Å; I156-T158 PolarHBondContact O-N 3.31Å; I156-K159 PolarHBondContact O-N 2.61Å; I156-L160 HydrophobicContact CG2-CD1 3.72Å; I156-L160 HydrophobicContact CG2-CG 4.21Å; I156-L160 WeakPolarHBondContact O-CB 3.05Å; I156-L160 VanDerWaalsContact O-CG 3.3Å; I156-L160 WeakPolarHBondContact O-CG 3.47Å; I156-L160 PolarHBondContact O-N 2.87Å
157	F	74.4	Confident	67.3	Low	143 Å²	143	100 Å²	100	63%	0.627	54%	0.536	S	S	*	.	H	α-helix	trans	-65.1	-36.2	178.1	-76.3	-62.8	0	0	0	112.6	L153 V154 G161	L153-F157 HydrophobicContact CB-CD2 4.34Å; L153-F157 HydrophobicContact CB-CE2 4.31Å; L153-F157 HydrophobicContact CD2-CE2 4.38Å; L153-F157 WeakPolarHBondContact O-CB 3.47Å; L153-F157 WeakPolarHBondContact O-CD2 3.22Å; L153-F157 PolarHBondContact O-N 2.86Å; V154-F157 PolarHBondContact O-N 3.18Å; F157-G161 WeakPolarHBondContact O-CA 3.3Å; F157-G161 PolarHBondContact O-N 3.45Å
158	T	68.8	Low	65.7	Low	71 Å²	71	99.1 Å²	99.1	44%	0.436	53%	0.532	S	S	.	.	H	α-helix	trans	-71.2	-36.4	172.3	35.4	0	0	0	0	112.1	V154 G155 I156 G161 L162	V154-T158 WeakPolarHBondContact O-CB 3.43Å; V154-T158 PolarHBondContact O-N 3.37Å; V154-T158 PolarHBondContact O-OG1 2.94Å; G155-T158 WeakPolarHBondContact CA-OG1 3.45Å; G155-T158 PolarHBondContact O-OG1 2.84Å; I156-T158 VanDerWaalsContact C-N 3.34Å; I156-T158 PolarHBondContact O-N 3.31Å; T158-G161 PolarHBondContact O-N 2.91Å; T158-L162 WeakPolarHBondContact O-CB 3.36Å; T158-L162 PolarHBondContact O-N 3.07Å
159	K	64.9	Low	64	Low	138 Å²	138	100.3 Å²	100.3	60%	0.6	53%	0.531	S	S	*	.	H	α-helix	trans	-64.9	-48.4	174.5	-169.8	-179.6	-180	-174.7	0	111.6	G155 I156 G161 L162 E163	G155-K159 WeakPolarHBondContact O-CB 3.4Å; G155-K159 PolarHBondContact O-N 3.3Å; I156-K159 PolarHBondContact O-N 2.61Å; K159-G161 VanDerWaalsContact C-N 3.32Å; K159-G161 PolarHBondContact O-N 3.44Å; K159-L162 PolarHBondContact O-N 3.42Å; K159-E163 VanDerWaalsContact O-CG 3.31Å; K159-E163 WeakPolarHBondContact O-CG 3.17Å; K159-E163 PolarHBondContact O-N 3.41Å
160	L	58.9	Low	62.6	Low	91 Å²	91	107.6 Å²	107.6	48%	0.476	55%	0.549	S	S	.	.	H	α-helix	trans	-68.7	-30.6	175.7	-64.3	175.1	0	0	0	112.3	I156 E163 K164	I156-L160 HydrophobicContact CG2-CD1 3.72Å; I156-L160 HydrophobicContact CG2-CG 4.21Å; I156-L160 WeakPolarHBondContact O-CB 3.05Å; I156-L160 VanDerWaalsContact O-CG 3.3Å; I156-L160 WeakPolarHBondContact O-CG 3.47Å; I156-L160 PolarHBondContact O-N 2.87Å; L160-E163 PolarHBondContact O-N 2.96Å; L160-K164 PolarHBondContact O-N 3.42Å; L160-K164 VanDerWaalsContact O-N 3.11Å
161	G	57.8	Low	61.2	Low	40 Å²	40	107.9 Å²	107.9	41%	0.412	55%	0.548	S	S	.	.	H	α-helix	trans	-70.1	-34.7	172.1	0	0	0	0	0	113.1	F157 T158 K159 A165	F157-G161 WeakPolarHBondContact O-CA 3.3Å; F157-G161 PolarHBondContact O-N 3.45Å; T158-G161 PolarHBondContact O-N 2.91Å; K159-G161 VanDerWaalsContact C-N 3.32Å; K159-G161 PolarHBondContact O-N 3.44Å; G161-A165 VanDerWaalsContact O-CB 3.25Å; G161-A165 WeakPolarHBondContact O-CB 3.34Å; G161-A165 PolarHBondContact O-N 2.91Å
162	L	50.5	Low	60	Low	119 Å²	119	107 Å²	107	62%	0.623	55%	0.546	S	S	*	.	H	α-helix	trans	-71.9	-35.4	171.3	-101.3	154.4	0	0	0	111.8	T158 K159 K164 A165 H166	T158-L162 WeakPolarHBondContact O-CB 3.36Å; T158-L162 PolarHBondContact O-N 3.07Å; K159-L162 PolarHBondContact O-N 3.42Å; L162-K164 VanDerWaalsContact C-N 3.32Å; L162-K164 PolarHBondContact O-N 2.92Å; L162-A165 CarbonylContact O-C 3.58Å; L162-A165 PolarHBondContact O-N 3.25Å; L162-H166 VanDerWaalsContact O-CB 3.3Å; L162-H166 WeakPolarHBondContact O-CB 3.5Å; L162-H166 PolarHBondContact O-N 3.19Å
163	E	55.3	Low	58.7	Low	110 Å²	110	109.4 Å²	109.4	51%	0.514	55%	0.549	S	S	.	.	H	α-helix	trans	-66.4	-34.6	175.3	-72.1	172.9	-164.1	0	0	111.8	K159 L160	K159-E163 VanDerWaalsContact O-CG 3.31Å; K159-E163 WeakPolarHBondContact O-CG 3.17Å; K159-E163 PolarHBondContact O-N 3.41Å; L160-E163 PolarHBondContact O-N 2.96Å
164	K	46.8	Very low	57.3	Low	179 Å²	179	108.3 Å²	108.3	78%	0.778	55%	0.549	S	S	*	.	H	α-helix	trans	-85.1	-7.7	170.2	-88.6	-166.8	-179.9	178.2	0	115.5	L160 L162 P168	L160-K164 PolarHBondContact O-N 3.42Å; L160-K164 VanDerWaalsContact O-N 3.11Å; L162-K164 VanDerWaalsContact C-N 3.32Å; L162-K164 PolarHBondContact O-N 2.92Å; K164-P168 WeakPolarHBondContact O-CD 3.29Å; K164-P168 VanDerWaalsContact O-CG 3.28Å; K164-P168 WeakPolarHBondContact O-CG 3.35Å
165	A	48.4	Very low	56	Low	62 Å²	62	113.5 Å²	113.5	51%	0.512	56%	0.561	S	S	.	*	H	α-helix	trans	-102.8	-15	172.8	0	0	0	0	0	113.3	G161 L162 P168	G161-A165 VanDerWaalsContact O-CB 3.25Å; G161-A165 WeakPolarHBondContact O-CB 3.34Å; G161-A165 PolarHBondContact O-N 2.91Å; L162-A165 CarbonylContact O-C 3.58Å; L162-A165 PolarHBondContact O-N 3.25Å; A165-P168 VanDerWaalsContact O-CD 3.24Å; A165-P168 WeakPolarHBondContact O-CD 3.24Å
166	H	49.4	Very low	54.7	Low	151 Å²	151	117.1 Å²	117.1	70%	0.699	57%	0.572	S	S	*	*	H	α-helix	trans	-86.9	-20	169.1	-163.9	-82	0	0	0	112.5	L162	L162-H166 VanDerWaalsContact O-CB 3.3Å; L162-H166 WeakPolarHBondContact O-CB 3.5Å; L162-H166 PolarHBondContact O-N 3.19Å
167	R	49.3	Very low	53.5	Low	179 Å²	179	118.3 Å²	118.3	68%	0.675	58%	0.579	S	S	*	*	S	Bend	trans	-82.2	-34	173.7	-152.3	-177.7	-179.1	151.4	3.7	116.9	Q169 R170 E171	R167-Q169 PolarHBondContact O-N 2.8Å; R167-R170 PolarHBondContact O-N 2.94Å; R167-E171 WeakPolarHBondContact CG-OE1 3.3Å; R167-E171 IonicContact NE-OE1 3.6Å; R167-E171 WeakPolarHBondContact O-CG 3.31Å
168	P	47.9	Very low	52.3	Low	68 Å²	68	119.2 Å²	119.2	44%	0.442	58%	0.584	S	S	.	*	H	α-helix	trans	-74.7	-11.3	-176.4	31.3	-25.6	0	0	0	112.1	K164 A165	K164-P168 WeakPolarHBondContact O-CD 3.29Å; K164-P168 VanDerWaalsContact O-CG 3.28Å; K164-P168 WeakPolarHBondContact O-CG 3.35Å; A165-P168 VanDerWaalsContact O-CD 3.24Å; A165-P168 WeakPolarHBondContact O-CD 3.24Å
169	Q	44.3	Very low	51.3	Low	123 Å²	123	123.2 Å²	123.2	58%	0.575	60%	0.598	S	S	*	*	H	α-helix	trans	-103.2	7.2	176.3	-144.4	-89.8	-50	0	0	113.5	R167	R167-Q169 PolarHBondContact O-N 2.8Å
170	R	48.2	Very low	50.6	Low	200 Å²	200	122.9 Å²	122.9	76%	0.755	61%	0.607	S	S	*	*	H	α-helix	trans	-99.1	-10.1	167.6	-161.3	173.5	175.3	-114.5	-1.1	113.3	R167	R167-R170 PolarHBondContact O-N 2.94Å
171	E	50.8	Low	50.1	Low	110 Å²	110	123.7 Å²	123.7	51%	0.514	62%	0.62	S	S	.	*	H	α-helix	trans	-99.2	-31.6	-174.6	-28.7	-154.3	-172.2	0	0	111.3	R167	R167-E171 WeakPolarHBondContact CG-OE1 3.3Å; R167-E171 IonicContact NE-OE1 3.6Å; R167-E171 WeakPolarHBondContact O-CG 3.31Å
172	N	50.7	Low	49.2	Very low	116 Å²	116	130.7 Å²	130.7	62%	0.62	66%	0.663	S	S	*	*	H	α-helix	trans	-88.1	-15.3	-179.5	-62.5	-17.3	0	0	0	114.1
173	M	50.5	Low	49.1	Very low	102 Å²	102	131.3 Å²	131.3	50%	0.502	67%	0.665	S	S	.	*	H	α-helix	trans	-83.3	-28	173.3	-168.6	62.3	74.8	0	0	112.2	N176	M173-N176 PolarHBondContact O-N 3.49Å
174	S	52.2	Low	48.8	Very low	71 Å²	71	132.4 Å²	132.4	50%	0.497	67%	0.673	S	S	.	*	H	α-helix	trans	-74.4	-25.7	179.9	-63.8	0	0	0	0	113.4
175	R	52.7	Low	48.9	Very low	182 Å²	182	129.8 Å²	129.8	69%	0.687	67%	0.667	S	S	*	*	H	α-helix	trans	-79.3	-22.3	177	-166.1	175	-99.2	123.6	-7.5	113
176	N	48.3	Very low	48.9	Very low	112 Å²	112	133.8 Å²	133.8	60%	0.599	68%	0.676	S	S	*	*	H	α-helix	trans	-84.2	-15.2	176.6	-83.6	32.2	0	0	0	113.9	M173	M173-N176 PolarHBondContact O-N 3.49Å
177	I	52.5	Low	48.9	Very low	118 Å²	118	132.7 Å²	132.7	61%	0.605	67%	0.674	S	S	*	*	H	α-helix	trans	-81.3	-23.1	176.7	-64.3	-173	0	0	0	112
178	H	49.6	Very low	48.9	Very low	161 Å²	161	129.6 Å²	129.6	75%	0.745	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.7	-5.6	176.4	-79.4	-82.6	0	0	0	115.1
179	H	48.4	Very low	48.9	Very low	156 Å²	156	134 Å²	134	72%	0.722	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.5	2.9	177.7	-78	-69.1	0	0	0	114.4
180	V	51.1	Low	49.3	Very low	130 Å²	130	134.8 Å²	134.8	79%	0.788	70%	0.7	S	S	*	*	S	Bend	trans	-109.9	7.1	177.2	-178	0	0	0	0	111.7
181	S	46.5	Very low	49.4	Very low	109 Å²	109	129.4 Å²	129.4	76%	0.762	70%	0.695	S	S	*	*			trans	-130.2	71	172	-163.4	0	0	0	0	110.3
182	S	39	Very low	49.2	Very low	186 Å²	186	131.2 Å²	131.2	100%	1.301	71%	0.712	S	S	*	*			trans	-157.9	0	153.1	-165	0	0	0	0	110.4

Retrieved 182 of 182 residues in 66.6 ms (Link to these results)

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