A0A2K6SJC0_SAIBB Loading...

KLF transcription factor 4

AlphaFold DB , UniProt , Accession A0A2K6SJC0, Species SAIBB (Saimiri boliviensis boliviensis, Bolivian squirrel monkey), Gene KLF4, Length 145 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	37.5	Very low	42.5	Very low	242 Å²	242	145.1 Å²	145.1	100%	1.192	84%	0.843	S	S	*	*				0	144.7	0	-74.3	170.1	170.1	0	0	108
2	A	40.7	Very low	42.2	Very low	89 Å²	89	142.6 Å²	142.6	74%	0.736	84%	0.84	S	S	*	*			trans	44.8	120.2	158.3	0	0	0	0	0	121.3
3	V	39	Very low	42.5	Very low	129 Å²	129	141.8 Å²	141.8	78%	0.782	84%	0.838	S	S	*	*			trans	46.3	119.7	137.8	-47.3	0	0	0	0	119
4	S	42.9	Very low	41.9	Very low	114 Å²	114	145.9 Å²	145.9	80%	0.797	84%	0.84	S	S	*	*				62.3	102.5	62.5	-55.2	0	0	0	0	113.9
5	D	40.5	Very low	42	Very low	171 Å²	171	141.3 Å²	141.3	91%	0.914	83%	0.826	S	S	*	*			trans	-147.5	158.9	144.1	-133.6	-46.3	0	0	0	111.7
6	A	52.1	Low	41.6	Very low	83 Å²	83	139.8 Å²	139.8	69%	0.686	83%	0.826	S	S	*	*			trans	-94.9	162.9	-156.4	0	0	0	0	0	115.1
7	L	42.6	Very low	41.7	Very low	177 Å²	177	135.9 Å²	135.9	93%	0.927	82%	0.822	S	S	*	*			trans	-160.1	119.8	146	-103.4	165.9	0	0	0	111
8	L	47.2	Very low	42	Very low	156 Å²	156	135.7 Å²	135.7	82%	0.817	82%	0.824	S	S	*	*			trans	-77.5	161	164	-63.3	171.5	0	0	0	108.5
9	P	49.1	Very low	41.8	Very low	116 Å²	116	133.7 Å²	133.7	75%	0.753	82%	0.824	S	S	*	*			cis	-139.8	-179.9	45.1	34.3	-9.6	0	0	0	113.4
10	S	38.1	Very low	41.6	Very low	104 Å²	104	130.8 Å²	130.8	73%	0.727	82%	0.821	S	S	*	*				-171.1	148.3	51.4	-58.5	0	0	0	0	110.1
11	F	38	Very low	41.9	Very low	215 Å²	215	136 Å²	136	94%	0.943	83%	0.825	S	S	*	*			trans	-116.1	122.9	169.8	-79.1	-79.9	0	0	0	111
12	S	38.3	Very low	42	Very low	115 Å²	115	133.1 Å²	133.1	80%	0.804	81%	0.809	S	S	*	*			trans	-83.4	143.3	171.1	59.4	0	0	0	0	111.5
13	T	46.4	Very low	42.3	Very low	133 Å²	133	138.1 Å²	138.1	82%	0.816	81%	0.814	S	S	*	*			trans	-47.3	144.7	170.3	45.1	0	0	0	0	115.8
14	F	34.3	Very low	42.5	Very low	199 Å²	199	138.3 Å²	138.3	87%	0.873	82%	0.815	S	S	*	*				-151.4	157.5	115.7	-160.7	-108.9	0	0	0	111.3
15	A	43.4	Very low	42.6	Very low	76 Å²	76	139.8 Å²	139.8	63%	0.628	81%	0.814	S	S	*	*			trans	-128.1	154.3	-174.3	0	0	0	0	0	112.2
16	S	35.9	Very low	42.9	Very low	117 Å²	117	143.2 Å²	143.2	82%	0.818	81%	0.814	S	S	*	*			trans	-166.6	137.2	151.6	-82.9	0	0	0	0	110.4
17	G	42.3	Very low	42.5	Very low	74 Å²	74	147.5 Å²	147.5	76%	0.763	82%	0.82	S	S	*	*			trans	-92	-139.8	-178.9	0	0	0	0	0	112.3
18	P	48.1	Very low	42.6	Very low	133 Å²	133	143.3 Å²	143.3	86%	0.864	81%	0.811	S	S	*	*			cis	-115.2	-161.7	-9.5	45	-31.6	0	0	0	109.6
19	A	38.7	Very low	42.6	Very low	98 Å²	98	139.6 Å²	139.6	81%	0.81	81%	0.81	S	S	*	*			cis	-143.5	149.1	-3.1	0	0	0	0	0	109.2
20	G	36.8	Very low	42.9	Very low	75 Å²	75	138.2 Å²	138.2	77%	0.773	81%	0.808	S	S	*	*			trans	-121.9	131.3	176.7	0	0	0	0	0	111.9	E22	G20-E22 PolarHBondContact O-N 3.4Å
21	R	48.4	Very low	43.5	Very low	241 Å²	241	138.3 Å²	138.3	91%	0.909	81%	0.806	S	S	*	*			trans	-56.2	119.7	174	-94.9	178.1	167.2	164.4	-4.6	110.7	K23	R21-K23 PolarHBondContact O-N 3.19Å
22	E	39.9	Very low	44.4	Very low	180 Å²	180	136 Å²	136	84%	0.841	80%	0.804	S	S	*	*			trans	-51.7	129.8	167.7	62.8	-152.5	82.1	0	0	111.6	G20	G20-E22 PolarHBondContact O-N 3.4Å
23	K	46.2	Very low	45.1	Very low	195 Å²	195	136.8 Å²	136.8	85%	0.848	80%	0.799	S	S	*	*			trans	-126.1	105.8	162.8	-69.7	-178.3	-176.7	175.1	0	105.8	R21 L25	R21-K23 PolarHBondContact O-N 3.19Å; K23-L25 PolarHBondContact O-N 3.35Å; K23-L25 VanDerWaalsContact O-N 3.16Å
24	T	43.1	Very low	45.4	Very low	132 Å²	132	138.4 Å²	138.4	81%	0.81	80%	0.802	S	S	*	*			trans	-56.6	117.4	-177.6	24.9	0	0	0	0	110.8	R26	T24-R26 PolarHBondContact O-N 2.92Å
25	L	45.9	Very low	46	Very low	146 Å²	146	137.4 Å²	137.4	76%	0.764	80%	0.802	S	S	*	*			trans	-64.5	102.2	171.1	179.4	71.4	0	0	0	108.5	K23 Q27	K23-L25 PolarHBondContact O-N 3.35Å; K23-L25 VanDerWaalsContact O-N 3.16Å; L25-Q27 VanDerWaalsContact C-N 3.3Å; L25-Q27 PolarHBondContact O-N 3.25Å
26	R	46.2	Very low	46.5	Very low	242 Å²	242	139.2 Å²	139.2	91%	0.913	81%	0.808	S	S	*	*			trans	-77.3	88.9	164.7	-89.8	-172.9	153.7	-112.9	-4.4	109	T24 A28	T24-R26 PolarHBondContact O-N 2.92Å; R26-A28 PolarHBondContact O-N 3.33Å
27	Q	43.5	Very low	47.1	Very low	173 Å²	173	139.9 Å²	139.9	81%	0.808	81%	0.809	S	S	*	*			trans	-71.1	118.2	169.7	-157.1	160.5	24	0	0	108.4	L25	L25-Q27 VanDerWaalsContact C-N 3.3Å; L25-Q27 PolarHBondContact O-N 3.25Å
28	A	45	Very low	47.9	Very low	90 Å²	90	140 Å²	140	74%	0.744	81%	0.81	S	S	*	*			trans	-127.2	103.9	173.4	0	0	0	0	0	107.9	R26 A30	R26-A28 PolarHBondContact O-N 3.33Å; A28-A30 PolarHBondContact O-N 2.81Å
29	G	47.3	Very low	47.9	Very low	77 Å²	77	138.9 Å²	138.9	79%	0.794	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-68.1	116.6	167	0	0	0	0	0	108.7
30	A	54.2	Low	48.3	Very low	88 Å²	88	140.6 Å²	140.6	73%	0.727	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-87.8	123.4	169.3	0	0	0	0	0	108.6	A28	A28-A30 PolarHBondContact O-N 2.81Å
31	P	52.2	Low	49	Very low	105 Å²	105	144.6 Å²	144.6	68%	0.682	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-67.5	135.9	168.2	27.9	-32.3	0	0	0	109.5	N33	P31-N33 PolarHBondContact O-N 3.03Å
32	N	56.8	Low	49.4	Very low	167 Å²	167	138.6 Å²	138.6	89%	0.893	80%	0.802	S	S	*	*			trans	-63.4	99.1	172.6	-77.6	-41.1	0	0	0	109.9
33	N	51.7	Low	50	Low	131 Å²	131	138.3 Å²	138.3	70%	0.701	80%	0.801	S	S	*	*			trans	-106	113.3	167.1	-80.9	-68.1	0	0	0	109	P31 M35	P31-N33 PolarHBondContact O-N 3.03Å; N33-M35 PolarHBondContact O-N 3.3Å
34	L	53.1	Low	50.2	Low	167 Å²	167	137.1 Å²	137.1	87%	0.874	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-61	117.2	164.6	-94.7	59.4	0	0	0	108.3
35	M	48	Very low	51	Low	178 Å²	178	136.4 Å²	136.4	88%	0.877	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-73.3	125.7	172	-84.5	158	50.9	0	0	110.1	N33	N33-M35 PolarHBondContact O-N 3.3Å
36	P	53	Low	51.6	Low	115 Å²	115	137.5 Å²	137.5	75%	0.747	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-71.8	148.1	168.7	30.7	-33.8	0	0	0	110.5
37	P	48.8	Very low	52.1	Low	131 Å²	131	131.3 Å²	131.3	85%	0.851	79%	0.786	S	S	*	*	S	Bend	trans	-80.2	147.1	177.2	32.6	-34.1	0	0	0	111.9
38	G	58.1	Low	53	Low	75 Å²	75	133.1 Å²	133.1	77%	0.773	79%	0.791	S	S	*	*			trans	94.5	68.5	163.3	0	0	0	0	0	116.1
39	S	48.9	Very low	53.8	Low	110 Å²	110	140 Å²	140	77%	0.769	80%	0.798	S	S	*	*			trans	-149	99.2	162.4	-65.6	0	0	0	0	110.1	M41	S39-M41 PolarHBondContact O-N 3.15Å
40	C	46.7	Very low	54.6	Low	135 Å²	135	139.3 Å²	139.3	91%	0.912	79%	0.791	S	S	*	*			trans	-72	106.9	171.9	-70.2	0	0	0	0	109.4
41	M	51.6	Low	55.1	Low	159 Å²	159	146.8 Å²	146.8	78%	0.783	80%	0.8	S	S	*	*			trans	-61.4	137.8	164	-72.4	-81.9	119.7	0	0	109.3	S39 E43	S39-M41 PolarHBondContact O-N 3.15Å; M41-E43 PolarHBondContact O-N 3.35Å
42	P	57.4	Low	55.7	Low	114 Å²	114	152.9 Å²	152.9	74%	0.74	81%	0.81	S	S	*	*			trans	-64.2	132.8	170	26.9	-32.5	0	0	0	109.9	E44	P42-E44 PolarHBondContact O-N 3.16Å; P42-E44 VanDerWaalsContact O-N 3.17Å
43	E	52.5	Low	56.1	Low	174 Å²	174	150.3 Å²	150.3	81%	0.813	81%	0.805	S	S	*	*			trans	-71.6	108.7	177.8	-74.3	-123.7	123	0	0	110.9	M41	M41-E43 PolarHBondContact O-N 3.35Å
44	E	49.5	Very low	56.4	Low	171 Å²	171	154.7 Å²	154.7	80%	0.799	81%	0.812	S	S	*	*			trans	-52.9	122.6	168.9	-79.8	-80.9	97.4	0	0	110.7	P42 K46	P42-E44 PolarHBondContact O-N 3.16Å; P42-E44 VanDerWaalsContact O-N 3.17Å; E44-K46 PolarHBondContact O-N 3.05Å
45	P	60.2	Low	56.8	Low	117 Å²	117	152 Å²	152	76%	0.76	81%	0.805	S	S	*	*			trans	-68.1	106.3	-173.8	25.5	-33.5	0	0	0	111.4
46	K	58	Low	57.7	Low	169 Å²	169	154.4 Å²	154.4	74%	0.735	80%	0.804	S	S	*	*			trans	-49.2	128.7	-179.4	-71.5	172.3	-177.2	156.3	0	111.3	E44 K48	E44-K46 PolarHBondContact O-N 3.05Å; K46-K48 PolarHBondContact O-N 3.03Å; K46-K48 VanDerWaalsContact O-N 3.14Å
47	P	58.2	Low	58.4	Low	112 Å²	112	157.7 Å²	157.7	73%	0.727	81%	0.806	S	S	*	*			trans	-60.2	121.5	-177	22.5	-33.2	0	0	0	110.5	R49	P47-R49 VanDerWaalsContact C-N 3.34Å; P47-R49 PolarHBondContact O-N 2.98Å
48	K	62.4	Low	59.4	Low	211 Å²	211	161 Å²	161	92%	0.917	80%	0.802	S	S	*	*			trans	-66	88.3	-178.4	-69.6	-178.4	179.9	175.4	0	110.1	K46 G50	K46-K48 PolarHBondContact O-N 3.03Å; K46-K48 VanDerWaalsContact O-N 3.14Å; K48-G50 PolarHBondContact O-N 3.48Å
49	R	62.2	Low	60.5	Low	233 Å²	233	162.3 Å²	162.3	88%	0.879	80%	0.795	S	S	*	*			trans	-60.2	101.9	173.3	-68.2	-175.8	-174.4	-101.9	3.4	109.2	P47 R51	P47-R49 VanDerWaalsContact C-N 3.34Å; P47-R49 PolarHBondContact O-N 2.98Å; R49-R51 PolarHBondContact O-N 3.49Å
50	G	63.1	Low	62.1	Low	63 Å²	63	159.2 Å²	159.2	65%	0.649	78%	0.776	S	S	*	*			trans	-54.5	136.2	179.4	0	0	0	0	0	112.1	K48 R52	K48-G50 PolarHBondContact O-N 3.48Å; G50-R52 PolarHBondContact O-N 3.24Å
51	R	64.3	Low	64	Low	246 Å²	246	157.3 Å²	157.3	93%	0.928	76%	0.76	S	S	*	*			trans	-66.4	105.2	173.1	-80.5	-176.5	174.8	-109	2.9	108.9	R49 S53	R49-R51 PolarHBondContact O-N 3.49Å; R51-S53 PolarHBondContact O-N 3.11Å
52	R	65.3	Low	65.9	Low	232 Å²	232	152.7 Å²	152.7	88%	0.875	74%	0.737	S	S	*	*			trans	-60.9	104	168.5	-74.7	-176.5	-77.8	-114.1	3.2	109.5	G50 W54	G50-R52 PolarHBondContact O-N 3.24Å; R52-W54 PolarHBondContact O-N 2.98Å
53	S	65.8	Low	67.6	Low	114 Å²	114	150.2 Å²	150.2	80%	0.797	72%	0.72	S	S	*	*			trans	-78.5	36.4	179.9	49.9	0	0	0	0	113.3	R51	R51-S53 PolarHBondContact O-N 3.11Å
54	W	56.9	Low	69.6	Low	223 Å²	223	142.1 Å²	142.1	85%	0.845	68%	0.682	S	S	*	*			trans	-81.8	124.4	176.2	-84.8	54.6	0	0	0	110.3	R52 R56	R52-W54 PolarHBondContact O-N 2.98Å; W54-R56 VanDerWaalsContact C-N 3.3Å; W54-R56 PolarHBondContact O-N 3.49Å
55	P	62.8	Low	71.6	Confident	111 Å²	111	141.1 Å²	141.1	72%	0.721	68%	0.682	S	S	*	*			trans	-70.9	87.7	176.2	29.5	-34	0	0	0	109.6	K57	P55-K57 PolarHBondContact O-N 3.03Å
56	R	66.1	Low	73.2	Confident	228 Å²	228	141.4 Å²	141.4	86%	0.86	67%	0.669	S	S	*	*			trans	-64.4	85.1	165.9	-93.7	-173.5	156.7	-137	-4.7	109.1	W54 R58	W54-R56 VanDerWaalsContact C-N 3.3Å; W54-R56 PolarHBondContact O-N 3.49Å; R56-R58 PolarHBondContact O-N 3.25Å
57	K	68.2	Low	74.8	Confident	183 Å²	183	137.7 Å²	137.7	80%	0.796	67%	0.669	S	S	*	*			trans	-55.7	103.5	164.1	-60.7	-174	-174.6	-177.2	0	106.9	P55 T59	P55-K57 PolarHBondContact O-N 3.03Å; K57-T59 VanDerWaalsContact C-N 3.3Å; K57-T59 PolarHBondContact O-N 2.79Å
58	R	69.8	Low	76.4	Confident	202 Å²	202	136.7 Å²	136.7	76%	0.762	68%	0.68	S	S	*	*			trans	-79.4	84.3	177.9	-60.1	-174.1	-152	-132.8	6.2	107.9	R56 T74	R56-R58 PolarHBondContact O-N 3.25Å; R58-T74 HydrophobicContact CB-CG2 4.09Å; R58-T74 WeakPolarHBondContact O-CG2 3.42Å
59	T	80	Confident	77.8	Confident	101 Å²	101	127.7 Å²	127.7	62%	0.62	64%	0.643	S	S	*	*			trans	-62.8	140.3	171.4	46.6	0	0	0	0	109.6	K57 T61	K57-T59 VanDerWaalsContact C-N 3.3Å; K57-T59 PolarHBondContact O-N 2.79Å; T59-T61 PolarHBondContact O-N 2.85Å
60	A	82.3	Confident	79.1	Confident	45 Å²	45	119.2 Å²	119.2	37%	0.372	63%	0.628	S	S	.	*			trans	-84.3	101.3	175.1	0	0	0	0	0	108.4	Y73 T74	A60-Y73 CarbonylContact C-O 3.28Å; A60-Y73 WeakPolarHBondContact CA-O 3.45Å; A60-T74 HydrophobicContact CB-CG2 4.08Å
61	T	87.4	Confident	80.5	Confident	95 Å²	95	121.3 Å²	121.3	58%	0.583	62%	0.619	S	S	*	*			trans	-100.7	-3.2	-173.5	53.8	0	0	0	0	113.9	T59 Y73	T59-T61 PolarHBondContact O-N 2.85Å; T61-Y73 PolarHBondContact N-O 3.01Å
62	H	91.6	Very high	81.9	Confident	63 Å²	63	113.4 Å²	113.4	29%	0.292	60%	0.598	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-116.1	97.2	-175.7	-60.1	-70.4	0	0	0	110.3	T72 Y73 S76 L79	H62-T72 CarbonylContact O-C 3.58Å; H62-T72 WeakPolarHBondContact O-CA 3.5Å; H62-Y73 WeakPolarHBondContact CB-O 3.37Å; H62-Y73 PolarHBondContact N-O 2.61Å; H62-Y73 PolarHBondContact O-N 2.85Å; H62-S76 PolarHBondContact CD2-N 2.87Å; H62-S76 PolarHBondContact NE2-N 2.73Å; H62-L79 HydrophobicContact CB-CB 4.04Å; H62-L79 HydrophobicContact CB-CD2 3.84Å
63	T	92.9	Very high	83.2	Confident	62 Å²	62	104.8 Å²	104.8	38%	0.38	57%	0.566	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-85.8	152.7	179	-48.8	0	0	0	0	111.2	K71 T72 L79	T63-K71 CarbonylContact C-O 3.54Å; T63-T72 HydrophobicContact CG2-CG2 4.02Å; T63-L79 WeakPolarHBondContact O-CD1 3.23Å; T63-L79 WeakPolarHBondContact O-CD2 3.42Å
64	C	94.8	Very high	84.5	Confident	3 Å²	3	102.4 Å²	102.4	2%	0.02	55%	0.547	C	S	.	.			trans	-95.2	113.4	170.2	-175.3	0	0	0	0	110.5	Y66 C69 K71 L79 H82 H86	C64-Y66 PolarHBondContact O-N 3.07Å; C64-C69 HydrophobicContact CB-CB 4.43Å; C64-K71 HydrophobicContact CB-CB 4.46Å; C64-K71 WeakPolarHBondContact CB-O 3.19Å; C64-K71 PolarHBondContact N-O 2.51Å; C64-L79 HydrophobicContact CB-CD1 3.77Å; C64-H82 PolarHBondContact SG-NE2 2.82Å; C64-H82 VanDerWaalsContact SG-NE2 3.37Å; C64-H86 PolarHBondContact SG-NE2 3.03Å
65	D	92.6	Very high	86.1	Confident	150 Å²	150	96.6 Å²	96.6	80%	0.802	53%	0.527	S	S	*	.			trans	-82.9	6	-177.6	-46.8	-48.3	0	0	0	113.3
66	Y	92.1	Very high	87.5	Confident	124 Å²	124	94.8 Å²	94.8	49%	0.486	52%	0.518	S	S	.	.	S	Bend	trans	-67.2	135.8	175.8	-167.2	-89	0	0	0	110.6	C64 G68 C69 H86	C64-Y66 PolarHBondContact O-N 3.07Å; Y66-G68 PolarHBondContact O-N 3.37Å; Y66-C69 VanDerWaalsContact O-CB 3.23Å; Y66-C69 WeakPolarHBondContact O-CB 3.44Å; Y66-C69 PolarHBondContact O-N 3.22Å; Y66-H86 HydrophobicContact CD1-CB 4.33Å; Y66-H86 AromaticContact CD1-CE1 3.71Å; Y66-H86 AromaticContact CD1-CG 3.73Å; Y66-H86 AromaticContact CD1-ND1 3.37Å; Y66-H86 WeakPolarHBondContact CD1-ND1 3.37Å; Y66-H86 HydrophobicContact CD2-CB 3.63Å; Y66-H86 AromaticContact CD2-CG 3.76Å; Y66-H86 HydrophobicContact CE1-CB 4.35Å; Y66-H86 AromaticContact CE1-ND1 3.61Å; Y66-H86 HydrophobicContact CE2-CB 3.67Å; Y66-H86 HydrophobicContact CG-CB 3.97Å; Y66-H86 AromaticContact CG-CD2 3.67Å; Y66-H86 AromaticContact CG-CG 3.54Å; Y66-H86 AromaticContact CG-ND1 3.7Å
67	A	93.1	Very high	88.6	Confident	90 Å²	90	87.2 Å²	87.2	74%	0.744	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	124.8	-175.8	0	0	0	0	0	112	C69	A67-C69 VanDerWaalsContact C-N 3.28Å; A67-C69 PolarHBondContact O-N 3.34Å
68	G	91.2	Very high	89.8	Confident	92 Å²	92	82.5 Å²	82.5	95%	0.948	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.4	8.6	-178.8	0	0	0	0	0	116	Y66	Y66-G68 PolarHBondContact O-N 3.37Å
69	C	92	Very high	90.9	Very high	22 Å²	22	74.1 Å²	74.1	15%	0.149	45%	0.45	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-59.2	-177.2	-164.2	0	0	0	0	115	C64 Y66 A67 K71 H82 H86	C64-C69 HydrophobicContact CB-CB 4.43Å; Y66-C69 VanDerWaalsContact O-CB 3.23Å; Y66-C69 WeakPolarHBondContact O-CB 3.44Å; Y66-C69 PolarHBondContact O-N 3.22Å; A67-C69 VanDerWaalsContact C-N 3.28Å; A67-C69 PolarHBondContact O-N 3.34Å; C69-K71 PolarHBondContact O-N 2.95Å; C69-H82 PolarHBondContact SG-NE2 3.42Å; C69-H86 WeakPolarHBondContact CB-CE1 3.36Å; C69-H86 WeakPolarHBondContact CB-NE2 3.49Å; C69-H86 PolarHBondContact SG-CE1 2.89Å; C69-H86 PolarHBondContact SG-NE2 2.98Å
70	G	89	Confident	91.4	Very high	54 Å²	54	76.1 Å²	76.1	56%	0.557	45%	0.451	S	S	*	.			trans	61.7	4.9	176.6	0	0	0	0	0	117.2
71	K	93.3	Very high	91.7	Very high	108 Å²	108	75 Å²	75	47%	0.47	44%	0.442	S	S	.	.			trans	-70	134.2	-174.9	-70	176.6	-173.1	169.2	0	111.8	T63 C64 C69 Y73	T63-K71 CarbonylContact C-O 3.54Å; C64-K71 HydrophobicContact CB-CB 4.46Å; C64-K71 WeakPolarHBondContact CB-O 3.19Å; C64-K71 PolarHBondContact N-O 2.51Å; C69-K71 PolarHBondContact O-N 2.95Å; K71-Y73 HydrophobicContact CB-CE2 3.72Å
72	T	93.5	Very high	91.9	Very high	79 Å²	79	71.1 Å²	71.1	49%	0.485	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	146.6	-179.3	59.1	0	0	0	0	112.8	H62 T63	H62-T72 CarbonylContact O-C 3.58Å; H62-T72 WeakPolarHBondContact O-CA 3.5Å; T63-T72 HydrophobicContact CG2-CG2 4.02Å
73	Y	93	Very high	91.9	Very high	52 Å²	52	71.5 Å²	71.5	20%	0.204	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	144.2	-174.2	-62.3	-86.8	0	0	0	111.9	A60 T61 H62 K71 K75 H78 L79 H82	A60-Y73 CarbonylContact C-O 3.28Å; A60-Y73 WeakPolarHBondContact CA-O 3.45Å; T61-Y73 PolarHBondContact N-O 3.01Å; H62-Y73 WeakPolarHBondContact CB-O 3.37Å; H62-Y73 PolarHBondContact N-O 2.61Å; H62-Y73 PolarHBondContact O-N 2.85Å; K71-Y73 HydrophobicContact CB-CE2 3.72Å; Y73-K75 VanDerWaalsContact C-N 3.28Å; Y73-K75 PolarHBondContact O-N 3.35Å; Y73-H78 HydrophobicContact CD1-CB 3.62Å; Y73-H78 HydrophobicContact CE1-CB 4.45Å; Y73-H78 HydrophobicContact CG-CB 4.13Å; Y73-L79 HydrophobicContact CD2-CB 4Å; Y73-L79 HydrophobicContact CD2-CD1 3.96Å; Y73-L79 HydrophobicContact CE2-CD1 4.24Å; Y73-L79 HydrophobicContact CG-CB 4.31Å; Y73-H82 HydrophobicContact CE1-CB 4.25Å; Y73-H82 HydrophobicContact CE2-CB 3.96Å; Y73-H82 AromaticContact CE2-CD2 3.33Å; Y73-H82 WeakPolarHBondContact CE2-CD2 3.46Å; Y73-H82 AromaticContact CE2-CG 3.84Å; Y73-H82 AromaticContact CZ-CD2 3.58Å; Y73-H82 AromaticContact CZ-CG 3.63Å; Y73-H82 WeakPolarHBondContact OH-CB 3.33Å; Y73-H82 PolarHBondContact OH-CD2 2.95Å
74	T	92.2	Very high	91.8	Very high	64 Å²	64	70.7 Å²	70.7	39%	0.393	41%	0.41	S	S	.	.	S	Bend	trans	-82.7	-1.4	175.8	54.2	0	0	0	0	113.9	R58 A60	R58-T74 HydrophobicContact CB-CG2 4.09Å; R58-T74 WeakPolarHBondContact O-CG2 3.42Å; A60-T74 HydrophobicContact CB-CG2 4.08Å
75	K	90.4	Very high	91.5	Very high	100 Å²	100	75 Å²	75	44%	0.435	44%	0.437	S	S	.	.	S	Bend	trans	-145.5	135.4	177.3	-60.6	-174.1	-170	170.5	0	110.5	Y73 S77 H78 L79	Y73-K75 VanDerWaalsContact C-N 3.28Å; Y73-K75 PolarHBondContact O-N 3.35Å; K75-S77 PolarHBondContact O-N 3.21Å; K75-H78 HydrophobicContact CB-CB 4.44Å; K75-H78 WeakPolarHBondContact O-CB 3.06Å; K75-H78 PolarHBondContact O-N 3.37Å; K75-L79 PolarHBondContact O-N 3.41Å
76	S	91.9	Very high	91.3	Very high	74 Å²	74	70.5 Å²	70.5	52%	0.517	41%	0.411	S	S	.	.	H	α-helix	trans	-56.2	-35	172.9	55.8	0	0	0	0	112.9	H62 H78 L79 K80	H62-S76 PolarHBondContact CD2-N 2.87Å; H62-S76 PolarHBondContact NE2-N 2.73Å; S76-H78 VanDerWaalsContact C-N 3.31Å; S76-H78 PolarHBondContact O-N 2.85Å; S76-L79 PolarHBondContact O-N 3.05Å; S76-K80 WeakPolarHBondContact O-CB 3.41Å; S76-K80 PolarHBondContact O-N 3.23Å
77	S	90.2	Very high	91.1	Very high	68 Å²	68	68.7 Å²	68.7	48%	0.476	41%	0.413	S	S	.	.	H	α-helix	trans	-65.1	-31.3	176	59.8	0	0	0	0	113.6	K75 A81	K75-S77 PolarHBondContact O-N 3.21Å; S77-A81 WeakPolarHBondContact O-CB 3.3Å; S77-A81 PolarHBondContact O-N 3.26Å
78	H	91.8	Very high	90.7	Very high	84 Å²	84	66.8 Å²	66.8	39%	0.389	40%	0.401	S	S	.	.	H	α-helix	trans	-75	-40.2	174.7	-64.8	-175.9	0	0	0	110.9	Y73 K75 S76 A81 H82	Y73-H78 HydrophobicContact CD1-CB 3.62Å; Y73-H78 HydrophobicContact CE1-CB 4.45Å; Y73-H78 HydrophobicContact CG-CB 4.13Å; K75-H78 HydrophobicContact CB-CB 4.44Å; K75-H78 WeakPolarHBondContact O-CB 3.06Å; K75-H78 PolarHBondContact O-N 3.37Å; S76-H78 VanDerWaalsContact C-N 3.31Å; S76-H78 PolarHBondContact O-N 2.85Å; H78-A81 PolarHBondContact O-N 3.19Å; H78-H82 WeakPolarHBondContact O-CB 3.47Å; H78-H82 PolarHBondContact O-N 3.48Å
79	L	93.1	Very high	90.6	Very high	26 Å²	26	68 Å²	68	14%	0.136	38%	0.382	C	S	.	.	H	α-helix	trans	-59.9	-48.6	171.7	174.5	62.2	0	0	0	111	H62 T63 C64 Y73 K75 S76 A81 H82 L83	H62-L79 HydrophobicContact CB-CB 4.04Å; H62-L79 HydrophobicContact CB-CD2 3.84Å; T63-L79 WeakPolarHBondContact O-CD1 3.23Å; T63-L79 WeakPolarHBondContact O-CD2 3.42Å; C64-L79 HydrophobicContact CB-CD1 3.77Å; Y73-L79 HydrophobicContact CD2-CB 4Å; Y73-L79 HydrophobicContact CD2-CD1 3.96Å; Y73-L79 HydrophobicContact CE2-CD1 4.24Å; Y73-L79 HydrophobicContact CG-CB 4.31Å; K75-L79 PolarHBondContact O-N 3.41Å; S76-L79 PolarHBondContact O-N 3.05Å; L79-A81 VanDerWaalsContact C-N 3.32Å; L79-A81 PolarHBondContact O-N 3.02Å; L79-H82 CarbonylContact O-C 3.54Å; L79-H82 WeakPolarHBondContact O-CA 3.45Å; L79-H82 WeakPolarHBondContact O-CB 3.44Å; L79-H82 PolarHBondContact O-N 3.29Å; L79-L83 HydrophobicContact CD1-CD2 4.48Å; L79-L83 HydrophobicContact CD1-CG 4.23Å; L79-L83 HydrophobicContact CG-CD1 4.34Å; L79-L83 HydrophobicContact CG-CG 4.46Å; L79-L83 WeakPolarHBondContact O-CG 3.46Å; L79-L83 PolarHBondContact O-N 3.28Å
80	K	90.6	Very high	90.5	Very high	144 Å²	144	72.8 Å²	72.8	63%	0.626	40%	0.401	S	S	*	.	H	α-helix	trans	-60.8	-38.4	177.8	-172.9	170.1	-174.9	170.7	0	112.7	S76 H82	S76-K80 WeakPolarHBondContact O-CB 3.41Å; S76-K80 PolarHBondContact O-N 3.23Å; K80-H82 VanDerWaalsContact C-N 3.34Å
81	A	89.6	Confident	90.4	Very high	22 Å²	22	73.2 Å²	73.2	18%	0.182	39%	0.394	C	S	.	.	H	α-helix	trans	-68.6	-32.7	173.5	0	0	0	0	0	112.5	S77 H78 L79 R105	S77-A81 WeakPolarHBondContact O-CB 3.3Å; S77-A81 PolarHBondContact O-N 3.26Å; H78-A81 PolarHBondContact O-N 3.19Å; L79-A81 VanDerWaalsContact C-N 3.32Å; L79-A81 PolarHBondContact O-N 3.02Å; A81-R105 HydrophobicContact CB-CG 4.39Å
82	H	91.1	Very high	90.4	Very high	13 Å²	13	71.8 Å²	71.8	6%	0.06	39%	0.386	C	S	.	.	H	α-helix	trans	-71.8	-39.5	174.3	167	41.1	0	0	0	112.9	C64 C69 Y73 H78 L79 K80 R84 T85 H86	C64-H82 PolarHBondContact SG-NE2 2.82Å; C64-H82 VanDerWaalsContact SG-NE2 3.37Å; C69-H82 PolarHBondContact SG-NE2 3.42Å; Y73-H82 HydrophobicContact CE1-CB 4.25Å; Y73-H82 HydrophobicContact CE2-CB 3.96Å; Y73-H82 AromaticContact CE2-CD2 3.33Å; Y73-H82 WeakPolarHBondContact CE2-CD2 3.46Å; Y73-H82 AromaticContact CE2-CG 3.84Å; Y73-H82 AromaticContact CZ-CD2 3.58Å; Y73-H82 AromaticContact CZ-CG 3.63Å; Y73-H82 WeakPolarHBondContact OH-CB 3.33Å; Y73-H82 PolarHBondContact OH-CD2 2.95Å; H78-H82 WeakPolarHBondContact O-CB 3.47Å; H78-H82 PolarHBondContact O-N 3.48Å; L79-H82 CarbonylContact O-C 3.54Å; L79-H82 WeakPolarHBondContact O-CA 3.45Å; L79-H82 WeakPolarHBondContact O-CB 3.44Å; L79-H82 PolarHBondContact O-N 3.29Å; K80-H82 VanDerWaalsContact C-N 3.34Å; H82-R84 PolarHBondContact O-N 3.49Å; H82-T85 PolarHBondContact CE1-OG1 2.79Å; H82-T85 PolarHBondContact ND1-OG1 3.03Å; H82-T85 WeakPolarHBondContact O-CB 3.4Å; H82-T85 PolarHBondContact O-N 2.79Å; H82-T85 PolarHBondContact O-OG1 3.02Å; H82-H86 AromaticContact CD2-NE2 3.76Å; H82-H86 AromaticContact CE1-CD2 3.8Å; H82-H86 AromaticContact CE1-NE2 2.87Å; H82-H86 PolarHBondContact CE1-NE2 3.03Å; H82-H86 AromaticContact NE2-CD2 3.95Å; H82-H86 AromaticContact NE2-NE2 2.61Å; H82-H86 PolarHBondContact NE2-NE2 3.3Å
83	L	91.4	Very high	90.4	Very high	71 Å²	71	73 Å²	73	37%	0.372	39%	0.386	S	S	.	.	H	α-helix	trans	-55.7	-28.2	179.6	-71.8	170.4	0	0	0	112.7	L79 T85 H86 T87	L79-L83 HydrophobicContact CD1-CD2 4.48Å; L79-L83 HydrophobicContact CD1-CG 4.23Å; L79-L83 HydrophobicContact CG-CD1 4.34Å; L79-L83 HydrophobicContact CG-CG 4.46Å; L79-L83 WeakPolarHBondContact O-CG 3.46Å; L79-L83 PolarHBondContact O-N 3.28Å; L83-T85 PolarHBondContact O-N 3.36Å; L83-H86 WeakPolarHBondContact O-CB 3.49Å; L83-H86 PolarHBondContact O-N 3.34Å; L83-T87 PolarHBondContact O-N 2.76Å; L83-T87 VanDerWaalsContact O-N 3.11Å
84	R	90.9	Very high	90.5	Very high	45 Å²	45	71 Å²	71	17%	0.17	38%	0.38	C	S	.	.	H	α-helix	trans	-61.9	-21.7	171.6	-62.7	-177.5	-175.9	133.9	3	114.9	H82 H86 T87 G88 E89 A104	H82-R84 PolarHBondContact O-N 3.49Å; R84-H86 PolarHBondContact O-N 2.89Å; R84-T87 WeakPolarHBondContact CA-OG1 3.45Å; R84-G88 WeakPolarHBondContact O-CA 3.41Å; R84-G88 PolarHBondContact O-N 3.02Å; R84-E89 HydrophobicContact CB-CB 4.45Å; R84-E89 HydrophobicContact CG-CB 4.19Å; R84-E89 PolarHBondContact O-N 3.42Å; R84-A104 HydrophobicContact CB-CB 4.08Å; R84-A104 VanDerWaalsContact CD-O 3.24Å; R84-A104 WeakPolarHBondContact CD-O 3.26Å; R84-A104 PolarHBondContact NH1-O 2.86Å
85	T	88.5	Confident	90.6	Very high	93 Å²	93	73.1 Å²	73.1	57%	0.571	39%	0.389	S	S	*	.	H	α-helix	trans	-74.6	-16.6	173	71.4	0	0	0	0	112.5	H82 L83	H82-T85 PolarHBondContact CE1-OG1 2.79Å; H82-T85 PolarHBondContact ND1-OG1 3.03Å; H82-T85 WeakPolarHBondContact O-CB 3.4Å; H82-T85 PolarHBondContact O-N 2.79Å; H82-T85 PolarHBondContact O-OG1 3.02Å; L83-T85 PolarHBondContact O-N 3.36Å
86	H	89.4	Confident	90.8	Very high	56 Å²	56	73.9 Å²	73.9	26%	0.259	39%	0.389	S	S	.	.	H	α-helix	trans	-95.4	-43.8	174.8	-62.7	-57.1	0	0	0	111.6	C64 Y66 C69 H82 L83 R84 G88	C64-H86 PolarHBondContact SG-NE2 3.03Å; Y66-H86 HydrophobicContact CD1-CB 4.33Å; Y66-H86 AromaticContact CD1-CE1 3.71Å; Y66-H86 AromaticContact CD1-CG 3.73Å; Y66-H86 AromaticContact CD1-ND1 3.37Å; Y66-H86 WeakPolarHBondContact CD1-ND1 3.37Å; Y66-H86 HydrophobicContact CD2-CB 3.63Å; Y66-H86 AromaticContact CD2-CG 3.76Å; Y66-H86 HydrophobicContact CE1-CB 4.35Å; Y66-H86 AromaticContact CE1-ND1 3.61Å; Y66-H86 HydrophobicContact CE2-CB 3.67Å; Y66-H86 HydrophobicContact CG-CB 3.97Å; Y66-H86 AromaticContact CG-CD2 3.67Å; Y66-H86 AromaticContact CG-CG 3.54Å; Y66-H86 AromaticContact CG-ND1 3.7Å; C69-H86 WeakPolarHBondContact CB-CE1 3.36Å; C69-H86 WeakPolarHBondContact CB-NE2 3.49Å; C69-H86 PolarHBondContact SG-CE1 2.89Å; C69-H86 PolarHBondContact SG-NE2 2.98Å; H82-H86 AromaticContact CD2-NE2 3.76Å; H82-H86 AromaticContact CE1-CD2 3.8Å; H82-H86 AromaticContact CE1-NE2 2.87Å; H82-H86 PolarHBondContact CE1-NE2 3.03Å; H82-H86 AromaticContact NE2-CD2 3.95Å; H82-H86 AromaticContact NE2-NE2 2.61Å; H82-H86 PolarHBondContact NE2-NE2 3.3Å; L83-H86 WeakPolarHBondContact O-CB 3.49Å; L83-H86 PolarHBondContact O-N 3.34Å; R84-H86 PolarHBondContact O-N 2.89Å; H86-G88 VanDerWaalsContact C-N 3.3Å; H86-G88 PolarHBondContact O-N 3.15Å
87	T	86.3	Confident	90.9	Very high	86 Å²	86	77.8 Å²	77.8	53%	0.528	40%	0.404	S	S	.	.	H	α-helix	trans	-77.6	-14.3	177.9	61	0	0	0	0	113.7	L83 R84 E89	L83-T87 PolarHBondContact O-N 2.76Å; L83-T87 VanDerWaalsContact O-N 3.11Å; R84-T87 WeakPolarHBondContact CA-OG1 3.45Å; T87-E89 PolarHBondContact O-N 3.08Å; T87-E89 WeakPolarHBondContact OG1-CG 3.21Å; T87-E89 PolarHBondContact OG1-N 3.2Å
88	G	85.8	Confident	91	Very high	49 Å²	49	78.9 Å²	78.9	51%	0.505	43%	0.426	S	S	.	.			trans	71.7	4.1	-174.7	0	0	0	0	0	114.4	R84 H86 K90	R84-G88 WeakPolarHBondContact O-CA 3.41Å; R84-G88 PolarHBondContact O-N 3.02Å; H86-G88 VanDerWaalsContact C-N 3.3Å; H86-G88 PolarHBondContact O-N 3.15Å; G88-K90 PolarHBondContact O-N 3.41Å
89	E	87.8	Confident	91	Very high	117 Å²	117	75.5 Å²	75.5	55%	0.547	41%	0.412	S	S	.	.			trans	-61.2	121	-177.6	-78.2	178.9	-178.1	0	0	112.5	R84 T87 P91	R84-E89 HydrophobicContact CB-CB 4.45Å; R84-E89 HydrophobicContact CG-CB 4.19Å; R84-E89 PolarHBondContact O-N 3.42Å; T87-E89 PolarHBondContact O-N 3.08Å; T87-E89 WeakPolarHBondContact OG1-CG 3.21Å; T87-E89 PolarHBondContact OG1-N 3.2Å; E89-P91 WeakPolarHBondContact O-CD 3.36Å
90	K	90.1	Very high	90.8	Very high	123 Å²	123	77.6 Å²	77.6	54%	0.535	44%	0.439	S	S	.	.			trans	-121.4	76.4	178.9	-69.8	166.3	175.7	-174.1	0	110.6	G88 Y92 K102 F103	G88-K90 PolarHBondContact O-N 3.41Å; K90-Y92 VanDerWaalsContact C-N 3.26Å; K90-Y92 PolarHBondContact O-N 3.07Å; K90-K102 HydrophobicContact CB-CB 3.65Å; K90-K102 HydrophobicContact CD-CB 4.16Å; K90-K102 WeakPolarHBondContact CD-O 3.29Å; K90-K102 HydrophobicContact CG-CB 4.48Å; K90-F103 CarbonylContact C-O 3.55Å; K90-F103 VanDerWaalsContact C-O 3.28Å; K90-F103 WeakPolarHBondContact CA-O 3.33Å
91	P	88.2	Confident	91	Very high	64 Å²	64	78.4 Å²	78.4	42%	0.416	44%	0.439	S	S	.	.			trans	-70.3	-21	-175.1	27.2	-33.8	0	0	0	113.5	E89 H93	E89-P91 WeakPolarHBondContact O-CD 3.36Å; P91-H93 PolarHBondContact O-ND1 2.8Å
92	Y	92.5	Very high	91.2	Very high	77 Å²	77	83.4 Å²	83.4	30%	0.302	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	102.8	-177.6	-56.3	-77.9	0	0	0	109.9	K90 K102 F103 A104 R105	K90-Y92 VanDerWaalsContact C-N 3.26Å; K90-Y92 PolarHBondContact O-N 3.07Å; Y92-K102 CarbonylContact O-C 3.21Å; Y92-K102 WeakPolarHBondContact O-CA 3.46Å; Y92-F103 PolarHBondContact N-O 2.73Å; Y92-F103 PolarHBondContact O-N 2.65Å; Y92-A104 WeakPolarHBondContact CE2-O 3.48Å; Y92-R105 VanDerWaalsContact CD2-CA 3.49Å
93	H	93.8	Very high	91.2	Very high	104 Å²	104	84.1 Å²	84.1	48%	0.481	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	156.9	176.9	43.7	-76.1	0	0	0	111.1	P91 D95 K102 L109	P91-H93 PolarHBondContact O-ND1 2.8Å; H93-D95 IonicContact CD2-OD1 3.08Å; H93-D95 PolarHBondContact CD2-OD1 3.47Å; H93-D95 IonicContact NE2-OD1 3.61Å; H93-K102 HydrophobicContact CB-CG 4.23Å; H93-L109 VanDerWaalsContact O-CD1 3.26Å; H93-L109 WeakPolarHBondContact O-CD1 3.43Å; H93-L109 WeakPolarHBondContact O-CD2 3.24Å
94	C	95.9	Very high	91.2	Very high	12 Å²	12	81.5 Å²	81.5	8%	0.081	45%	0.448	C	S	.	.			trans	-91.1	131.6	167.6	-166.9	0	0	0	0	109.1	W96 C99 W101 L109 Y113 H116	C94-W96 VanDerWaalsContact C-N 3.34Å; C94-C99 HydrophobicContact CB-CB 4.35Å; C94-W101 PolarHBondContact N-O 2.93Å; C94-L109 HydrophobicContact CB-CD1 3.96Å; C94-Y113 VanDerWaalsContact SG-CE1 3.52Å; C94-H116 PolarHBondContact SG-NE2 2.65Å
95	D	93.8	Very high	91.1	Very high	108 Å²	108	84.5 Å²	84.5	58%	0.578	46%	0.459	S	S	*	.			trans	-98	11.4	-176.7	-40.4	-61.6	0	0	0	111.3	H93 Y113	H93-D95 IonicContact CD2-OD1 3.08Å; H93-D95 PolarHBondContact CD2-OD1 3.47Å; H93-D95 IonicContact NE2-OD1 3.61Å; D95-Y113 VanDerWaalsContact CB-OH 3.29Å; D95-Y113 WeakPolarHBondContact CB-OH 3.23Å; D95-Y113 VanDerWaalsContact CG-OH 3.25Å; D95-Y113 PolarHBondContact N-OH 3.08Å; D95-Y113 PolarHBondContact OD2-OH 3.24Å
96	W	94.7	Very high	91.3	Very high	116 Å²	116	83 Å²	83	44%	0.439	45%	0.453	S	S	.	.	S	Bend	trans	-80.2	133.2	178.4	-168	-75.9	0	0	0	110.1	C94 G98 C99 Y113 H116 T117	C94-W96 VanDerWaalsContact C-N 3.34Å; W96-G98 PolarHBondContact O-N 3.14Å; W96-C99 HydrophobicContact CB-CB 3.95Å; W96-C99 WeakPolarHBondContact O-CA 3.4Å; W96-C99 WeakPolarHBondContact O-CB 3.47Å; W96-C99 PolarHBondContact O-N 2.92Å; W96-Y113 HydrophobicContact CB-CE1 4.46Å; W96-H116 AromaticContact CD1-ND1 3.84Å; W96-H116 HydrophobicContact CD2-CB 3.53Å; W96-H116 AromaticContact CD2-CG 3.62Å; W96-H116 HydrophobicContact CE3-CB 3.48Å; W96-H116 VanDerWaalsContact CE3-CB 3.48Å; W96-H116 AromaticContact CE3-CG 3.97Å; W96-H116 HydrophobicContact CG-CB 4.2Å; W96-H116 AromaticContact CG-CD2 3.81Å; W96-H116 AromaticContact CG-CG 3.74Å; W96-H116 AromaticContact CG-ND1 3.89Å; W96-H116 HydrophobicContact CH2-CB 3.86Å; W96-H116 HydrophobicContact CZ2-CB 3.91Å; W96-H116 HydrophobicContact CZ3-CB 3.65Å; W96-H116 AromaticContact NE1-ND1 3.99Å; W96-T117 HydrophobicContact CH2-CG2 4.5Å; W96-T117 HydrophobicContact CZ3-CG2 3.98Å
97	D	94.4	Very high	91.3	Very high	155 Å²	155	83.8 Å²	83.8	83%	0.829	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	130.6	-175.8	-69.2	-59.3	0	0	0	112.9	C99	D97-C99 PolarHBondContact O-N 2.81Å
98	G	91.5	Very high	91.6	Very high	91 Å²	91	82 Å²	82	94%	0.938	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	74	-0.5	-173.8	0	0	0	0	0	115.4	W96	W96-G98 PolarHBondContact O-N 3.14Å
99	C	91.2	Very high	92.1	Very high	13 Å²	13	80.7 Å²	80.7	9%	0.088	43%	0.425	C	S	.	.			trans	-95.9	95.2	-178.5	-161	0	0	0	0	113.6	C94 W96 D97 W101 H112 H116	C94-C99 HydrophobicContact CB-CB 4.35Å; W96-C99 HydrophobicContact CB-CB 3.95Å; W96-C99 WeakPolarHBondContact O-CA 3.4Å; W96-C99 WeakPolarHBondContact O-CB 3.47Å; W96-C99 PolarHBondContact O-N 2.92Å; D97-C99 PolarHBondContact O-N 2.81Å; C99-W101 PolarHBondContact O-N 3.07Å; C99-W101 VanDerWaalsContact O-N 3.07Å; C99-H112 PolarHBondContact SG-NE2 2.55Å; C99-H116 VanDerWaalsContact CB-CE1 3.46Å; C99-H116 WeakPolarHBondContact CB-CE1 3.48Å; C99-H116 VanDerWaalsContact CB-NE2 3.26Å; C99-H116 WeakPolarHBondContact CB-NE2 3.21Å; C99-H116 PolarHBondContact SG-CE1 3.47Å; C99-H116 PolarHBondContact SG-NE2 2.84Å
100	G	90.4	Very high	92.3	Very high	70 Å²	70	78.7 Å²	78.7	72%	0.722	42%	0.422	S	S	*	.			trans	-74.5	14.4	176.4	0	0	0	0	0	116.6
101	W	93.7	Very high	92.4	Very high	162 Å²	162	77.5 Å²	77.5	61%	0.614	41%	0.414	S	S	*	.			trans	-79.6	135.2	-170.6	-80.4	74.8	0	0	0	113.3	C94 C99 F103 H112	C94-W101 PolarHBondContact N-O 2.93Å; C99-W101 PolarHBondContact O-N 3.07Å; C99-W101 VanDerWaalsContact O-N 3.07Å; W101-F103 HydrophobicContact CB-CE2 3.86Å; W101-F103 HydrophobicContact CB-CZ 3.87Å; W101-F103 HydrophobicContact CD2-CZ 4.4Å; W101-F103 HydrophobicContact CE3-CE1 4.03Å; W101-F103 AromaticContact CE3-CZ 3.83Å; W101-F103 HydrophobicContact CE3-CZ 3.83Å; W101-F103 HydrophobicContact CG-CZ 4.46Å; W101-H112 AromaticContact CG-CE1 3.67Å
102	K	93.4	Very high	92.7	Very high	127 Å²	127	75.1 Å²	75.1	55%	0.552	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.5	143.9	178.9	-53.3	-177.3	-179.6	178	0	111.2	K90 Y92 H93	K90-K102 HydrophobicContact CB-CB 3.65Å; K90-K102 HydrophobicContact CD-CB 4.16Å; K90-K102 WeakPolarHBondContact CD-O 3.29Å; K90-K102 HydrophobicContact CG-CB 4.48Å; Y92-K102 CarbonylContact O-C 3.21Å; Y92-K102 WeakPolarHBondContact O-CA 3.46Å; H93-K102 HydrophobicContact CB-CG 4.23Å
103	F	92.1	Very high	92.8	Very high	27 Å²	27	74.3 Å²	74.3	12%	0.118	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	152.7	-171	-58.5	-79	0	0	0	112.5	K90 Y92 W101 E108 L109 H112	K90-F103 CarbonylContact C-O 3.55Å; K90-F103 VanDerWaalsContact C-O 3.28Å; K90-F103 WeakPolarHBondContact CA-O 3.33Å; Y92-F103 PolarHBondContact N-O 2.73Å; Y92-F103 PolarHBondContact O-N 2.65Å; W101-F103 HydrophobicContact CB-CE2 3.86Å; W101-F103 HydrophobicContact CB-CZ 3.87Å; W101-F103 HydrophobicContact CD2-CZ 4.4Å; W101-F103 HydrophobicContact CE3-CE1 4.03Å; W101-F103 AromaticContact CE3-CZ 3.83Å; W101-F103 HydrophobicContact CE3-CZ 3.83Å; W101-F103 HydrophobicContact CG-CZ 4.46Å; F103-E108 HydrophobicContact CB-CB 3.9Å; F103-E108 HydrophobicContact CD1-CB 3.76Å; F103-E108 HydrophobicContact CG-CB 4Å; F103-L109 HydrophobicContact CB-CB 4.45Å; F103-L109 HydrophobicContact CD2-CB 3.89Å; F103-L109 HydrophobicContact CD2-CD1 3.85Å; F103-L109 HydrophobicContact CD2-CG 4.48Å; F103-L109 HydrophobicContact CE2-CD1 4.04Å; F103-L109 HydrophobicContact CG-CB 4.38Å; F103-H112 HydrophobicContact CE1-CB 4.19Å; F103-H112 HydrophobicContact CE2-CB 3.69Å; F103-H112 AromaticContact CE2-CD2 3.72Å; F103-H112 AromaticContact CE2-CG 3.57Å; F103-H112 HydrophobicContact CZ-CB 3.46Å; F103-H112 VanDerWaalsContact CZ-CB 3.46Å; F103-H112 AromaticContact CZ-CD2 3.92Å; F103-H112 AromaticContact CZ-CG 3.34Å; F103-H112 AromaticContact CZ-ND1 3.46Å; F103-H112 WeakPolarHBondContact CZ-ND1 3.14Å
104	A	90.2	Very high	92.8	Very high	16 Å²	16	72.5 Å²	72.5	13%	0.132	38%	0.383	C	S	.	.	S	Bend	trans	-84.5	-18.3	179.5	0	0	0	0	0	112.3	R84 Y92 E108	R84-A104 HydrophobicContact CB-CB 4.08Å; R84-A104 VanDerWaalsContact CD-O 3.24Å; R84-A104 WeakPolarHBondContact CD-O 3.26Å; R84-A104 PolarHBondContact NH1-O 2.86Å; Y92-A104 WeakPolarHBondContact CE2-O 3.48Å; A104-E108 PolarHBondContact N-OE2 2.97Å; A104-E108 VanDerWaalsContact N-OE2 3.15Å
105	R	89.6	Confident	92.6	Very high	109 Å²	109	79.7 Å²	79.7	41%	0.411	41%	0.413	S	S	.	.	S	Bend	trans	-133.5	152.4	-179.6	-58.8	162.3	47.3	150.1	-9.6	112.5	A81 Y92 D107 E108 L109	A81-R105 HydrophobicContact CB-CG 4.39Å; Y92-R105 VanDerWaalsContact CD2-CA 3.49Å; R105-D107 WeakPolarHBondContact CB-OD1 3.41Å; R105-D107 IonicContact CZ-OD1 3.47Å; R105-D107 IonicContact CZ-OD2 3.36Å; R105-D107 IonicContact NE-OD1 2.65Å; R105-D107 PolarHBondContact NE-OD1 2.88Å; R105-D107 IonicContact NE-OD2 2.8Å; R105-D107 IonicContact NH2-OD1 3.39Å; R105-D107 PolarHBondContact NH2-OD1 3.39Å; R105-D107 VanDerWaalsContact NH2-OD1 3.07Å; R105-D107 IonicContact NH2-OD2 3.07Å; R105-D107 PolarHBondContact NH2-OD2 3.33Å; R105-E108 HydrophobicContact CB-CG 3.98Å; R105-E108 PolarHBondContact N-OE2 2.94Å; R105-E108 WeakPolarHBondContact O-CB 3.47Å; R105-E108 PolarHBondContact O-N 2.85Å; R105-L109 PolarHBondContact O-N 3.04Å
106	S	91.8	Very high	92.5	Very high	62 Å²	62	77.8 Å²	77.8	43%	0.434	40%	0.4	S	S	.	.	H	α-helix	trans	-67.3	-36.7	178.6	50	0	0	0	0	113.4	E108 L109 T110	S106-E108 VanDerWaalsContact C-N 3.28Å; S106-E108 PolarHBondContact O-N 3.41Å; S106-L109 WeakPolarHBondContact O-CB 3.39Å; S106-L109 PolarHBondContact O-N 2.98Å; S106-T110 PolarHBondContact O-N 2.86Å; S106-T110 PolarHBondContact O-OG1 2.45Å; S106-T110 VanDerWaalsContact O-OG1 3.1Å
107	D	90.6	Very high	92.3	Very high	71 Å²	71	76.3 Å²	76.3	38%	0.38	40%	0.404	S	S	.	.	H	α-helix	trans	-69.4	-27.3	179.3	66.6	-61.5	0	0	0	112.9	R105 R111	R105-D107 WeakPolarHBondContact CB-OD1 3.41Å; R105-D107 IonicContact CZ-OD1 3.47Å; R105-D107 IonicContact CZ-OD2 3.36Å; R105-D107 IonicContact NE-OD1 2.65Å; R105-D107 PolarHBondContact NE-OD1 2.88Å; R105-D107 IonicContact NE-OD2 2.8Å; R105-D107 IonicContact NH2-OD1 3.39Å; R105-D107 PolarHBondContact NH2-OD1 3.39Å; R105-D107 VanDerWaalsContact NH2-OD1 3.07Å; R105-D107 IonicContact NH2-OD2 3.07Å; R105-D107 PolarHBondContact NH2-OD2 3.33Å; D107-R111 VanDerWaalsContact O-CB 3.23Å; D107-R111 WeakPolarHBondContact O-CB 3.46Å; D107-R111 PolarHBondContact O-N 3.22Å
108	E	92.6	Very high	92.2	Very high	49 Å²	49	71.2 Å²	71.2	23%	0.229	39%	0.388	C	S	.	.	H	α-helix	trans	-66.2	-45.2	170.9	-64.4	170.5	159.6	0	0	110.9	F103 A104 R105 S106 R111 H112	F103-E108 HydrophobicContact CB-CB 3.9Å; F103-E108 HydrophobicContact CD1-CB 3.76Å; F103-E108 HydrophobicContact CG-CB 4Å; A104-E108 PolarHBondContact N-OE2 2.97Å; A104-E108 VanDerWaalsContact N-OE2 3.15Å; R105-E108 HydrophobicContact CB-CG 3.98Å; R105-E108 PolarHBondContact N-OE2 2.94Å; R105-E108 WeakPolarHBondContact O-CB 3.47Å; R105-E108 PolarHBondContact O-N 2.85Å; S106-E108 VanDerWaalsContact C-N 3.28Å; S106-E108 PolarHBondContact O-N 3.41Å; E108-R111 PolarHBondContact O-N 3.1Å; E108-H112 WeakPolarHBondContact O-CB 3.47Å; E108-H112 PolarHBondContact O-N 2.88Å
109	L	94.8	Very high	92.3	Very high	21 Å²	21	71.7 Å²	71.7	11%	0.11	37%	0.366	C	S	.	.	H	α-helix	trans	-63.2	-47.9	174.4	175.2	62.3	0	0	0	111.6	H93 C94 F103 R105 S106 R111 H112 Y113	H93-L109 VanDerWaalsContact O-CD1 3.26Å; H93-L109 WeakPolarHBondContact O-CD1 3.43Å; H93-L109 WeakPolarHBondContact O-CD2 3.24Å; C94-L109 HydrophobicContact CB-CD1 3.96Å; F103-L109 HydrophobicContact CB-CB 4.45Å; F103-L109 HydrophobicContact CD2-CB 3.89Å; F103-L109 HydrophobicContact CD2-CD1 3.85Å; F103-L109 HydrophobicContact CD2-CG 4.48Å; F103-L109 HydrophobicContact CE2-CD1 4.04Å; F103-L109 HydrophobicContact CG-CB 4.38Å; R105-L109 PolarHBondContact O-N 3.04Å; S106-L109 WeakPolarHBondContact O-CB 3.39Å; S106-L109 PolarHBondContact O-N 2.98Å; L109-R111 VanDerWaalsContact C-N 3.29Å; L109-R111 PolarHBondContact O-N 3.17Å; L109-H112 CarbonylContact O-C 3.52Å; L109-H112 WeakPolarHBondContact O-CA 3.12Å; L109-H112 WeakPolarHBondContact O-CB 3.26Å; L109-H112 PolarHBondContact O-N 3.36Å; L109-Y113 HydrophobicContact CD1-CD2 3.78Å; L109-Y113 HydrophobicContact CD1-CE2 3.53Å; L109-Y113 HydrophobicContact CD2-CE2 4.04Å; L109-Y113 HydrophobicContact CG-CD2 3.8Å; L109-Y113 HydrophobicContact CG-CE2 3.67Å; L109-Y113 WeakPolarHBondContact O-CD2 3.46Å; L109-Y113 PolarHBondContact O-N 3.31Å
110	T	93.2	Very high	92.4	Very high	76 Å²	76	77.9 Å²	77.9	47%	0.466	39%	0.387	S	S	.	.	H	α-helix	trans	-59.3	-39.6	176.1	-53.7	0	0	0	0	112	S106 H112 R114	S106-T110 PolarHBondContact O-N 2.86Å; S106-T110 PolarHBondContact O-OG1 2.45Å; S106-T110 VanDerWaalsContact O-OG1 3.1Å; T110-H112 VanDerWaalsContact C-N 3.35Å; T110-R114 PolarHBondContact O-N 3.15Å
111	R	92.7	Very high	92.4	Very high	97 Å²	97	77.4 Å²	77.4	37%	0.366	37%	0.371	S	S	.	.	H	α-helix	trans	-68	-34.3	174.6	179.4	-179.8	62.2	-174.6	-6.1	112.2	D107 E108 L109 R133	D107-R111 VanDerWaalsContact O-CB 3.23Å; D107-R111 WeakPolarHBondContact O-CB 3.46Å; D107-R111 PolarHBondContact O-N 3.22Å; E108-R111 PolarHBondContact O-N 3.1Å; L109-R111 VanDerWaalsContact C-N 3.29Å; L109-R111 PolarHBondContact O-N 3.17Å; R111-R133 HydrophobicContact CG-CG 4.15Å
112	H	94.5	Very high	92.4	Very high	15 Å²	15	72.6 Å²	72.6	7%	0.069	36%	0.355	C	S	.	.	H	α-helix	trans	-68.5	-44	174.6	173.7	85.8	0	0	0	111.7	C99 W101 F103 E108 L109 T110 R114 K115 H116	C99-H112 PolarHBondContact SG-NE2 2.55Å; W101-H112 AromaticContact CG-CE1 3.67Å; F103-H112 HydrophobicContact CE1-CB 4.19Å; F103-H112 HydrophobicContact CE2-CB 3.69Å; F103-H112 AromaticContact CE2-CD2 3.72Å; F103-H112 AromaticContact CE2-CG 3.57Å; F103-H112 HydrophobicContact CZ-CB 3.46Å; F103-H112 VanDerWaalsContact CZ-CB 3.46Å; F103-H112 AromaticContact CZ-CD2 3.92Å; F103-H112 AromaticContact CZ-CG 3.34Å; F103-H112 AromaticContact CZ-ND1 3.46Å; F103-H112 WeakPolarHBondContact CZ-ND1 3.14Å; E108-H112 WeakPolarHBondContact O-CB 3.47Å; E108-H112 PolarHBondContact O-N 2.88Å; L109-H112 CarbonylContact O-C 3.52Å; L109-H112 WeakPolarHBondContact O-CA 3.12Å; L109-H112 WeakPolarHBondContact O-CB 3.26Å; L109-H112 PolarHBondContact O-N 3.36Å; T110-H112 VanDerWaalsContact C-N 3.35Å; H112-R114 PolarHBondContact O-N 3.46Å; H112-R114 VanDerWaalsContact O-N 3.15Å; H112-K115 WeakPolarHBondContact O-CB 3.47Å; H112-K115 WeakPolarHBondContact O-CG 3.2Å; H112-K115 PolarHBondContact O-N 3.41Å; H112-H116 AromaticContact CD2-NE2 3.22Å; H112-H116 PolarHBondContact CD2-NE2 3.24Å; H112-H116 AromaticContact CE1-NE2 3.41Å; H112-H116 PolarHBondContact CE1-NE2 3.18Å; H112-H116 AromaticContact NE2-CD2 3.87Å; H112-H116 AromaticContact NE2-NE2 2.45Å; H112-H116 PolarHBondContact NE2-NE2 3.46Å
113	Y	93.7	Very high	92.5	Very high	59 Å²	59	72 Å²	72	23%	0.231	35%	0.354	C	S	.	.	H	α-helix	trans	-54.8	-33	175.7	-90.2	-59.8	0	0	0	113.8	C94 D95 W96 L109 K115 H116 T117	C94-Y113 VanDerWaalsContact SG-CE1 3.52Å; D95-Y113 VanDerWaalsContact CB-OH 3.29Å; D95-Y113 WeakPolarHBondContact CB-OH 3.23Å; D95-Y113 VanDerWaalsContact CG-OH 3.25Å; D95-Y113 PolarHBondContact N-OH 3.08Å; D95-Y113 PolarHBondContact OD2-OH 3.24Å; W96-Y113 HydrophobicContact CB-CE1 4.46Å; L109-Y113 HydrophobicContact CD1-CD2 3.78Å; L109-Y113 HydrophobicContact CD1-CE2 3.53Å; L109-Y113 HydrophobicContact CD2-CE2 4.04Å; L109-Y113 HydrophobicContact CG-CD2 3.8Å; L109-Y113 HydrophobicContact CG-CE2 3.67Å; L109-Y113 WeakPolarHBondContact O-CD2 3.46Å; L109-Y113 PolarHBondContact O-N 3.31Å; Y113-K115 PolarHBondContact O-N 3.22Å; Y113-K115 VanDerWaalsContact O-N 3.17Å; Y113-H116 PolarHBondContact O-N 3.44Å; Y113-H116 VanDerWaalsContact O-N 3.1Å; Y113-T117 PolarHBondContact O-N 3.09Å; Y113-T117 VanDerWaalsContact O-N 3.09Å; Y113-T117 PolarHBondContact O-OG1 2.83Å
114	R	94.1	Very high	92.7	Very high	67 Å²	67	70.9 Å²	70.9	25%	0.253	35%	0.35	S	S	.	.	H	α-helix	trans	-63	-16.4	173.4	-64.9	179.4	-169.2	164.6	2.7	114.3	T110 H112 G118 H119 S132	T110-R114 PolarHBondContact O-N 3.15Å; H112-R114 PolarHBondContact O-N 3.46Å; H112-R114 VanDerWaalsContact O-N 3.15Å; R114-G118 CarbonylContact O-C 3.53Å; R114-G118 WeakPolarHBondContact O-CA 3.39Å; R114-G118 PolarHBondContact O-N 2.84Å; R114-H119 HydrophobicContact CG-CB 4.39Å; R114-H119 PolarHBondContact O-N 3.36Å; R114-S132 WeakPolarHBondContact CD-O 3.01Å; R114-S132 PolarHBondContact NH1-O 3.28Å
115	K	90.9	Very high	92.9	Very high	163 Å²	163	78.1 Å²	78.1	71%	0.709	38%	0.381	S	S	*	.	H	α-helix	trans	-74.8	-40.9	172	-62.3	-175.1	171.4	-168.2	0	111.3	H112 Y113	H112-K115 WeakPolarHBondContact O-CB 3.47Å; H112-K115 WeakPolarHBondContact O-CG 3.2Å; H112-K115 PolarHBondContact O-N 3.41Å; Y113-K115 PolarHBondContact O-N 3.22Å; Y113-K115 VanDerWaalsContact O-N 3.17Å
116	H	92.4	Very high	93.1	Very high	68 Å²	68	78.2 Å²	78.2	32%	0.315	38%	0.384	S	S	.	.	H	α-helix	trans	-70.8	-46.9	178.5	-63.8	-54.9	0	0	0	111.7	C94 W96 C99 H112 Y113 G118	C94-H116 PolarHBondContact SG-NE2 2.65Å; W96-H116 AromaticContact CD1-ND1 3.84Å; W96-H116 HydrophobicContact CD2-CB 3.53Å; W96-H116 AromaticContact CD2-CG 3.62Å; W96-H116 HydrophobicContact CE3-CB 3.48Å; W96-H116 VanDerWaalsContact CE3-CB 3.48Å; W96-H116 AromaticContact CE3-CG 3.97Å; W96-H116 HydrophobicContact CG-CB 4.2Å; W96-H116 AromaticContact CG-CD2 3.81Å; W96-H116 AromaticContact CG-CG 3.74Å; W96-H116 AromaticContact CG-ND1 3.89Å; W96-H116 HydrophobicContact CH2-CB 3.86Å; W96-H116 HydrophobicContact CZ2-CB 3.91Å; W96-H116 HydrophobicContact CZ3-CB 3.65Å; W96-H116 AromaticContact NE1-ND1 3.99Å; C99-H116 VanDerWaalsContact CB-CE1 3.46Å; C99-H116 WeakPolarHBondContact CB-CE1 3.48Å; C99-H116 VanDerWaalsContact CB-NE2 3.26Å; C99-H116 WeakPolarHBondContact CB-NE2 3.21Å; C99-H116 PolarHBondContact SG-CE1 3.47Å; C99-H116 PolarHBondContact SG-NE2 2.84Å; H112-H116 AromaticContact CD2-NE2 3.22Å; H112-H116 PolarHBondContact CD2-NE2 3.24Å; H112-H116 AromaticContact CE1-NE2 3.41Å; H112-H116 PolarHBondContact CE1-NE2 3.18Å; H112-H116 AromaticContact NE2-CD2 3.87Å; H112-H116 AromaticContact NE2-NE2 2.45Å; H112-H116 PolarHBondContact NE2-NE2 3.46Å; Y113-H116 PolarHBondContact O-N 3.44Å; Y113-H116 VanDerWaalsContact O-N 3.1Å; H116-G118 VanDerWaalsContact C-N 3.29Å; H116-G118 PolarHBondContact O-N 2.91Å
117	T	91.5	Very high	93.2	Very high	84 Å²	84	77.1 Å²	77.1	52%	0.515	38%	0.376	S	S	.	.	S	Bend	trans	-81.4	-3.7	-178.7	60.1	0	0	0	0	114.4	W96 Y113 H119	W96-T117 HydrophobicContact CH2-CG2 4.5Å; W96-T117 HydrophobicContact CZ3-CG2 3.98Å; Y113-T117 PolarHBondContact O-N 3.09Å; Y113-T117 VanDerWaalsContact O-N 3.09Å; Y113-T117 PolarHBondContact O-OG1 2.83Å; T117-H119 PolarHBondContact O-N 3.39Å; T117-H119 WeakPolarHBondContact OG1-CB 3.49Å
118	G	91.5	Very high	93.3	Very high	48 Å²	48	81 Å²	81	50%	0.495	40%	0.397	S	S	.	.			trans	61.7	8.8	-172.9	0	0	0	0	0	115	R114 H116 R120	R114-G118 CarbonylContact O-C 3.53Å; R114-G118 WeakPolarHBondContact O-CA 3.39Å; R114-G118 PolarHBondContact O-N 2.84Å; H116-G118 VanDerWaalsContact C-N 3.29Å; H116-G118 PolarHBondContact O-N 2.91Å; G118-R120 WeakPolarHBondContact O-CG 3.34Å; G118-R120 PolarHBondContact O-N 3.1Å
119	H	93.3	Very high	93.4	Very high	102 Å²	102	85.2 Å²	85.2	47%	0.472	41%	0.411	S	S	.	.			trans	-67.8	118.5	-168.3	-179.7	-137.1	0	0	0	112.9	R114 T117 P121	R114-H119 HydrophobicContact CG-CB 4.39Å; R114-H119 PolarHBondContact O-N 3.36Å; T117-H119 PolarHBondContact O-N 3.39Å; T117-H119 WeakPolarHBondContact OG1-CB 3.49Å; H119-P121 WeakPolarHBondContact O-CD 3.38Å
120	R	92.4	Very high	93.4	Very high	143 Å²	143	85.3 Å²	85.3	54%	0.54	41%	0.414	S	S	.	.			trans	-121.9	74	-174.2	-69.7	163	84.9	162	4.6	111.9	G118 F122 A130 F131	G118-R120 WeakPolarHBondContact O-CG 3.34Å; G118-R120 PolarHBondContact O-N 3.1Å; R120-F122 PolarHBondContact O-N 3.24Å; R120-A130 HydrophobicContact CB-CB 3.77Å; R120-A130 PolarHBondContact NE-O 3.39Å; R120-A130 PolarHBondContact NH2-O 3.17Å; R120-F131 CarbonylContact C-O 3.54Å; R120-F131 VanDerWaalsContact CA-O 3.28Å; R120-F131 WeakPolarHBondContact CA-O 3.39Å
121	P	91.1	Very high	93.4	Very high	60 Å²	60	83.3 Å²	83.3	39%	0.39	40%	0.399	S	S	.	.			trans	-72.8	-5.6	-174.1	28.9	-35.8	0	0	0	115.2	H119	H119-P121 WeakPolarHBondContact O-CD 3.38Å
122	F	94.6	Very high	93.4	Very high	60 Å²	60	80.3 Å²	80.3	26%	0.263	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	87.2	-176.9	-58.2	-77	0	0	0	111	R120 A130 F131 L137	R120-F122 PolarHBondContact O-N 3.24Å; F122-A130 CarbonylContact O-C 3.5Å; F122-A130 WeakPolarHBondContact O-CA 3.42Å; F122-F131 HydrophobicContact CB-CB 4.28Å; F122-F131 WeakPolarHBondContact CB-O 3.37Å; F122-F131 WeakPolarHBondContact CD2-O 3.28Å; F122-F131 PolarHBondContact N-O 3.33Å; F122-F131 PolarHBondContact O-N 3.45Å; F122-L137 HydrophobicContact CB-CB 4.13Å; F122-L137 HydrophobicContact CB-CD2 3.9Å
123	Q	95.3	Very high	93.4	Very high	114 Å²	114	82.9 Å²	82.9	53%	0.533	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	133.2	179	-169.4	172.3	-3.8	0	0	112.3	Q125	Q123-Q125 PolarHBondContact O-NE2 3.28Å
124	C	96.1	Very high	93.4	Very high	5 Å²	5	83.5 Å²	83.5	3%	0.034	42%	0.415	C	S	.	.			trans	-68.2	139.1	169.4	-175.9	0	0	0	0	110.4	K126 C127 R129 L137 M141	C124-K126 PolarHBondContact SG-N 3.28Å; C124-K126 VanDerWaalsContact SG-N 3.42Å; C124-C127 WeakPolarHBondContact CB-O 3.37Å; C124-R129 VanDerWaalsContact CB-O 3.22Å; C124-R129 WeakPolarHBondContact CB-O 3.45Å; C124-R129 PolarHBondContact N-O 2.85Å; C124-L137 HydrophobicContact CB-CD1 3.85Å; C124-M141 PolarHBondContact SG-SD 3.19Å
125	Q	94.1	Very high	93.4	Very high	167 Å²	167	83.4 Å²	83.4	78%	0.78	42%	0.42	S	S	*	.	S	Bend	trans	-90.3	-3.7	179.1	-56.9	-58.9	-66.5	0	0	113	Q123	Q123-Q125 PolarHBondContact O-NE2 3.28Å
126	K	93.3	Very high	93.6	Very high	112 Å²	112	79.3 Å²	79.3	49%	0.487	40%	0.403	S	S	.	.	S	Bend	trans	-109.6	-10.1	179.6	-68.4	-174.4	171.8	-175.5	0	113.6	C124 M141 H144	C124-K126 PolarHBondContact SG-N 3.28Å; C124-K126 VanDerWaalsContact SG-N 3.42Å; K126-M141 HydrophobicContact CD-CE 4.12Å; K126-M141 HydrophobicContact CG-CE 4.33Å; K126-H144 HydrophobicContact CD-CB 3.45Å; K126-H144 VanDerWaalsContact CD-CB 3.45Å; K126-H144 PolarHBondContact NZ-O 3.42Å
127	C	94.9	Very high	93.8	Very high	38 Å²	38	77.6 Å²	77.6	26%	0.257	40%	0.396	S	S	.	.	S	Bend	trans	-166.1	167.3	174.2	68	0	0	0	0	110.8	C124 R129 H140 H144	C124-C127 WeakPolarHBondContact CB-O 3.37Å; C127-R129 PolarHBondContact O-N 3.29Å; C127-H140 PolarHBondContact SG-NE2 2.86Å; C127-H140 VanDerWaalsContact SG-NE2 3.36Å; C127-H144 VanDerWaalsContact SG-CE1 3.57Å; C127-H144 PolarHBondContact SG-NE2 3.3Å; C127-H144 VanDerWaalsContact SG-NE2 3.43Å
128	D	93.2	Very high	93.9	Very high	153 Å²	153	76.4 Å²	76.4	82%	0.818	40%	0.395	S	S	*	.	S	Bend	trans	-72.5	14.2	-172.5	-48.1	-63.9	0	0	0	115.4	A130	D128-A130 PolarHBondContact O-N 2.93Å
129	R	93.9	Very high	94.1	Very high	138 Å²	138	79.1 Å²	79.1	52%	0.521	40%	0.397	S	S	.	.			trans	-80.9	111.5	179.5	-64.7	-172.4	-173.5	-171.9	3.7	111.3	C124 C127 F131	C124-R129 VanDerWaalsContact CB-O 3.22Å; C124-R129 WeakPolarHBondContact CB-O 3.45Å; C124-R129 PolarHBondContact N-O 2.85Å; C127-R129 PolarHBondContact O-N 3.29Å; R129-F131 HydrophobicContact CB-CE2 3.81Å; R129-F131 HydrophobicContact CB-CZ 3.89Å; R129-F131 VanDerWaalsContact O-CE2 3.28Å; R129-F131 WeakPolarHBondContact O-CE2 3.47Å
130	A	94.6	Very high	94.2	Very high	23 Å²	23	74.9 Å²	74.9	19%	0.19	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	156.1	167.6	0	0	0	0	0	112.9	R120 F122 D128	R120-A130 HydrophobicContact CB-CB 3.77Å; R120-A130 PolarHBondContact NE-O 3.39Å; R120-A130 PolarHBondContact NH2-O 3.17Å; F122-A130 CarbonylContact O-C 3.5Å; F122-A130 WeakPolarHBondContact O-CA 3.42Å; D128-A130 PolarHBondContact O-N 2.93Å
131	F	93.4	Very high	94.3	Very high	33 Å²	33	70.3 Å²	70.3	15%	0.145	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	150	-179.5	-59.8	-89.4	0	0	0	111.5	R120 F122 R129 R133 H136 L137 H140	R120-F131 CarbonylContact C-O 3.54Å; R120-F131 VanDerWaalsContact CA-O 3.28Å; R120-F131 WeakPolarHBondContact CA-O 3.39Å; F122-F131 HydrophobicContact CB-CB 4.28Å; F122-F131 WeakPolarHBondContact CB-O 3.37Å; F122-F131 WeakPolarHBondContact CD2-O 3.28Å; F122-F131 PolarHBondContact N-O 3.33Å; F122-F131 PolarHBondContact O-N 3.45Å; R129-F131 HydrophobicContact CB-CE2 3.81Å; R129-F131 HydrophobicContact CB-CZ 3.89Å; R129-F131 VanDerWaalsContact O-CE2 3.28Å; R129-F131 WeakPolarHBondContact O-CE2 3.47Å; F131-R133 VanDerWaalsContact C-N 3.31Å; F131-H136 HydrophobicContact CB-CB 4.19Å; F131-H136 HydrophobicContact CD1-CB 3.88Å; F131-H136 HydrophobicContact CG-CB 4.27Å; F131-L137 HydrophobicContact CB-CB 4.35Å; F131-L137 HydrophobicContact CD2-CB 3.93Å; F131-L137 HydrophobicContact CD2-CD1 3.87Å; F131-L137 HydrophobicContact CD2-CG 4.49Å; F131-L137 HydrophobicContact CE2-CD1 4.04Å; F131-L137 HydrophobicContact CG-CB 4.31Å; F131-H140 HydrophobicContact CE1-CB 4.08Å; F131-H140 HydrophobicContact CE2-CB 3.86Å; F131-H140 AromaticContact CE2-CD2 3.29Å; F131-H140 WeakPolarHBondContact CE2-CD2 3.44Å; F131-H140 AromaticContact CE2-CG 3.68Å; F131-H140 HydrophobicContact CZ-CB 3.46Å; F131-H140 VanDerWaalsContact CZ-CB 3.46Å; F131-H140 AromaticContact CZ-CD2 3.42Å; F131-H140 VanDerWaalsContact CZ-CD2 3.42Å; F131-H140 WeakPolarHBondContact CZ-CD2 3.44Å; F131-H140 AromaticContact CZ-CG 3.33Å
132	S	93.4	Very high	94.5	Very high	35 Å²	35	74.5 Å²	74.5	25%	0.245	38%	0.375	C	S	.	.	S	Bend	trans	-82	-9.2	176.7	56.3	0	0	0	0	113.6	R114	R114-S132 WeakPolarHBondContact CD-O 3.01Å; R114-S132 PolarHBondContact NH1-O 3.28Å
133	R	93.1	Very high	94.4	Very high	69 Å²	69	80.7 Å²	80.7	26%	0.26	40%	0.397	S	S	.	.	S	Bend	trans	-140.1	147.1	179.8	-55.7	159.7	57.1	158.6	-0.1	111.4	R111 F131 D135 H136 L137	R111-R133 HydrophobicContact CG-CG 4.15Å; F131-R133 VanDerWaalsContact C-N 3.31Å; R133-D135 WeakPolarHBondContact CB-OD1 3.29Å; R133-D135 IonicContact CZ-OD1 3.68Å; R133-D135 IonicContact CZ-OD2 3.65Å; R133-D135 IonicContact NE-OD1 3.58Å; R133-D135 PolarHBondContact NE-OD1 3.38Å; R133-D135 IonicContact NE-OD2 2.73Å; R133-D135 PolarHBondContact NE-OD2 3.03Å; R133-D135 IonicContact NH2-OD1 2.91Å; R133-D135 IonicContact NH2-OD2 3.64Å; R133-D135 PolarHBondContact NH2-OD2 2.94Å; R133-H136 HydrophobicContact CB-CB 4.39Å; R133-H136 WeakPolarHBondContact CD-NE2 3.36Å; R133-H136 VanDerWaalsContact CZ-NE2 3.3Å; R133-H136 PolarHBondContact NE-CD2 3.27Å; R133-H136 PolarHBondContact NE-NE2 3.03Å; R133-H136 PolarHBondContact NH1-NE2 2.8Å; R133-L137 PolarHBondContact O-N 2.93Å
134	S	94.3	Very high	94.2	Very high	71 Å²	71	78 Å²	78	50%	0.497	38%	0.384	S	S	.	.	H	α-helix	trans	-70.7	-33.1	179.9	48.4	0	0	0	0	113.6	L137 A138	S134-L137 PolarHBondContact O-N 3.19Å; S134-A138 WeakPolarHBondContact O-CB 3.42Å; S134-A138 PolarHBondContact O-N 2.83Å
135	D	94.4	Very high	93.6	Very high	65 Å²	65	87.8 Å²	87.8	35%	0.348	43%	0.426	S	S	.	.	H	α-helix	trans	-68.3	-36.5	176.6	62.5	-27.3	0	0	0	112.1	R133 A138 L139	R133-D135 WeakPolarHBondContact CB-OD1 3.29Å; R133-D135 IonicContact CZ-OD1 3.68Å; R133-D135 IonicContact CZ-OD2 3.65Å; R133-D135 IonicContact NE-OD1 3.58Å; R133-D135 PolarHBondContact NE-OD1 3.38Å; R133-D135 IonicContact NE-OD2 2.73Å; R133-D135 PolarHBondContact NE-OD2 3.03Å; R133-D135 IonicContact NH2-OD1 2.91Å; R133-D135 IonicContact NH2-OD2 3.64Å; R133-D135 PolarHBondContact NH2-OD2 2.94Å; D135-A138 PolarHBondContact O-N 3.07Å; D135-L139 WeakPolarHBondContact O-CG 3.35Å; D135-L139 PolarHBondContact O-N 3.11Å
136	H	94.9	Very high	93.6	Very high	77 Å²	77	83.8 Å²	83.8	36%	0.356	41%	0.408	S	S	.	.	H	α-helix	trans	-63.6	-42	171.2	-71.3	-151.1	0	0	0	111.5	F131 R133 H140	F131-H136 HydrophobicContact CB-CB 4.19Å; F131-H136 HydrophobicContact CD1-CB 3.88Å; F131-H136 HydrophobicContact CG-CB 4.27Å; R133-H136 HydrophobicContact CB-CB 4.39Å; R133-H136 WeakPolarHBondContact CD-NE2 3.36Å; R133-H136 VanDerWaalsContact CZ-NE2 3.3Å; R133-H136 PolarHBondContact NE-CD2 3.27Å; R133-H136 PolarHBondContact NE-NE2 3.03Å; R133-H136 PolarHBondContact NH1-NE2 2.8Å; H136-H140 WeakPolarHBondContact O-CB 3.28Å; H136-H140 PolarHBondContact O-N 2.81Å
137	L	95.7	Very high	93.6	Very high	32 Å²	32	82.3 Å²	82.3	17%	0.168	40%	0.404	C	S	.	.	H	α-helix	trans	-62.6	-46.8	172.5	173.5	60.8	0	0	0	111	F122 C124 F131 R133 S134 L139 H140 M141	F122-L137 HydrophobicContact CB-CB 4.13Å; F122-L137 HydrophobicContact CB-CD2 3.9Å; C124-L137 HydrophobicContact CB-CD1 3.85Å; F131-L137 HydrophobicContact CB-CB 4.35Å; F131-L137 HydrophobicContact CD2-CB 3.93Å; F131-L137 HydrophobicContact CD2-CD1 3.87Å; F131-L137 HydrophobicContact CD2-CG 4.49Å; F131-L137 HydrophobicContact CE2-CD1 4.04Å; F131-L137 HydrophobicContact CG-CB 4.31Å; R133-L137 PolarHBondContact O-N 2.93Å; S134-L137 PolarHBondContact O-N 3.19Å; L137-L139 VanDerWaalsContact C-N 3.34Å; L137-L139 PolarHBondContact O-N 3.19Å; L137-H140 CarbonylContact O-C 3.56Å; L137-H140 WeakPolarHBondContact O-CA 3.28Å; L137-H140 WeakPolarHBondContact O-CB 3.08Å; L137-H140 PolarHBondContact O-N 3.48Å; L137-M141 HydrophobicContact CD1-CG 4.04Å; L137-M141 HydrophobicContact CD1-SD 4.11Å; L137-M141 HydrophobicContact CG-CG 4.33Å; L137-M141 WeakPolarHBondContact O-CG 3.43Å; L137-M141 PolarHBondContact O-N 2.99Å
138	A	95.3	Very high	93.6	Very high	59 Å²	59	84.8 Å²	84.8	49%	0.488	41%	0.413	S	S	.	.	H	α-helix	trans	-60.7	-40.7	-179.8	0	0	0	0	0	112.7	S134 D135 M141	S134-A138 WeakPolarHBondContact O-CB 3.42Å; S134-A138 PolarHBondContact O-N 2.83Å; D135-A138 PolarHBondContact O-N 3.07Å; A138-M141 PolarHBondContact O-N 3.06Å
139	L	95.6	Very high	93.6	Very high	105 Å²	105	80.8 Å²	80.8	55%	0.55	39%	0.389	S	S	.	.	H	α-helix	trans	-67.2	-37.2	172.2	-71.2	173.6	0	0	0	112.4	D135 L137 K142	D135-L139 WeakPolarHBondContact O-CG 3.35Å; D135-L139 PolarHBondContact O-N 3.11Å; L137-L139 VanDerWaalsContact C-N 3.34Å; L137-L139 PolarHBondContact O-N 3.19Å; L139-K142 HydrophobicContact CD2-CD 4.44Å; L139-K142 WeakPolarHBondContact O-CB 3.48Å; L139-K142 PolarHBondContact O-N 3.23Å
140	H	95.5	Very high	93.6	Very high	14 Å²	14	77.2 Å²	77.2	7%	0.065	38%	0.38	C	S	.	.	H	α-helix	trans	-65.6	-39.6	174.1	171.5	52.9	0	0	0	112.5	C127 F131 H136 L137 K142 R143 H144	C127-H140 PolarHBondContact SG-NE2 2.86Å; C127-H140 VanDerWaalsContact SG-NE2 3.36Å; F131-H140 HydrophobicContact CE1-CB 4.08Å; F131-H140 HydrophobicContact CE2-CB 3.86Å; F131-H140 AromaticContact CE2-CD2 3.29Å; F131-H140 WeakPolarHBondContact CE2-CD2 3.44Å; F131-H140 AromaticContact CE2-CG 3.68Å; F131-H140 HydrophobicContact CZ-CB 3.46Å; F131-H140 VanDerWaalsContact CZ-CB 3.46Å; F131-H140 AromaticContact CZ-CD2 3.42Å; F131-H140 VanDerWaalsContact CZ-CD2 3.42Å; F131-H140 WeakPolarHBondContact CZ-CD2 3.44Å; F131-H140 AromaticContact CZ-CG 3.33Å; H136-H140 WeakPolarHBondContact O-CB 3.28Å; H136-H140 PolarHBondContact O-N 2.81Å; L137-H140 CarbonylContact O-C 3.56Å; L137-H140 WeakPolarHBondContact O-CA 3.28Å; L137-H140 WeakPolarHBondContact O-CB 3.08Å; L137-H140 PolarHBondContact O-N 3.48Å; H140-K142 PolarHBondContact O-N 2.74Å; H140-R143 WeakPolarHBondContact O-CB 3.38Å; H140-R143 PolarHBondContact O-N 3.33Å; H140-H144 AromaticContact CD2-NE2 3.94Å; H140-H144 AromaticContact CE1-CD2 3.78Å; H140-H144 AromaticContact CE1-NE2 3.19Å; H140-H144 PolarHBondContact CE1-NE2 2.71Å; H140-H144 AromaticContact NE2-CD2 3.67Å; H140-H144 AromaticContact NE2-NE2 2.99Å; H140-H144 PolarHBondContact NE2-NE2 3.36Å
141	M	94.6	Very high	93.5	Very high	47 Å²	47	80.8 Å²	80.8	23%	0.232	39%	0.393	C	S	.	.	H	α-helix	trans	-58	-30.8	177.4	-70.4	-57	-65.5	0	0	112.2	C124 K126 L137 A138 R143 H144 F145	C124-M141 PolarHBondContact SG-SD 3.19Å; K126-M141 HydrophobicContact CD-CE 4.12Å; K126-M141 HydrophobicContact CG-CE 4.33Å; L137-M141 HydrophobicContact CD1-CG 4.04Å; L137-M141 HydrophobicContact CD1-SD 4.11Å; L137-M141 HydrophobicContact CG-CG 4.33Å; L137-M141 WeakPolarHBondContact O-CG 3.43Å; L137-M141 PolarHBondContact O-N 2.99Å; A138-M141 PolarHBondContact O-N 3.06Å; M141-R143 PolarHBondContact O-N 2.95Å; M141-R143 VanDerWaalsContact O-N 3.11Å; M141-H144 PolarHBondContact O-N 3.43Å; M141-F145 HydrophobicContact CB-CE2 4.41Å; M141-F145 WeakPolarHBondContact O-CD2 3.34Å; M141-F145 VanDerWaalsContact O-CE2 3.28Å; M141-F145 WeakPolarHBondContact O-CE2 3.22Å
142	K	94.9	Very high	93.5	Very high	148 Å²	148	84.2 Å²	84.2	64%	0.643	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-13.9	173.2	-61.6	-172.4	178.1	-171	0	114.7	L139 H140	L139-K142 HydrophobicContact CD2-CD 4.44Å; L139-K142 WeakPolarHBondContact O-CB 3.48Å; L139-K142 PolarHBondContact O-N 3.23Å; H140-K142 PolarHBondContact O-N 2.74Å
143	R	92.9	Very high	93.5	Very high	190 Å²	190	88 Å²	88	72%	0.717	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	1.4	177.5	-55.2	176.4	65.4	162.3	4.3	113	H140 M141	H140-R143 WeakPolarHBondContact O-CB 3.38Å; H140-R143 PolarHBondContact O-N 3.33Å; M141-R143 PolarHBondContact O-N 2.95Å; M141-R143 VanDerWaalsContact O-N 3.11Å
144	H	89.8	Confident	93.5	Very high	56 Å²	56	89.6 Å²	89.6	26%	0.259	44%	0.437	S	S	.	.			trans	-117.3	19	178	-65.4	-77.9	0	0	0	112	K126 C127 H140 M141	K126-H144 HydrophobicContact CD-CB 3.45Å; K126-H144 VanDerWaalsContact CD-CB 3.45Å; K126-H144 PolarHBondContact NZ-O 3.42Å; C127-H144 VanDerWaalsContact SG-CE1 3.57Å; C127-H144 PolarHBondContact SG-NE2 3.3Å; C127-H144 VanDerWaalsContact SG-NE2 3.43Å; H140-H144 AromaticContact CD2-NE2 3.94Å; H140-H144 AromaticContact CE1-CD2 3.78Å; H140-H144 AromaticContact CE1-NE2 3.19Å; H140-H144 PolarHBondContact CE1-NE2 2.71Å; H140-H144 AromaticContact NE2-CD2 3.67Å; H140-H144 AromaticContact NE2-NE2 2.99Å; H140-H144 PolarHBondContact NE2-NE2 3.36Å; M141-H144 PolarHBondContact O-N 3.43Å
145	F	84.8	Confident	93.5	Very high	211 Å²	211	91.3 Å²	91.3	93%	0.925	43%	0.432	S	S	*	.			trans	-123.3	0	167.5	-58.6	-81.6	0	0	0	106.5	M141	M141-F145 HydrophobicContact CB-CE2 4.41Å; M141-F145 WeakPolarHBondContact O-CD2 3.34Å; M141-F145 VanDerWaalsContact O-CE2 3.28Å; M141-F145 WeakPolarHBondContact O-CE2 3.22Å

Retrieved 145 of 145 residues in 251.4 ms (Link to these results)

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