A0A087WPL1_MOUSE Loading...

PDZ and LIM domain 2

AlphaFold DB , UniProt , Accession A0A087WPL1, Species MOUSE (Mus musculus, Mouse), Gene Pdlim2, Length 128 aa.

						>A0A087WPL1_MOUSE|A0A087WPL1|Pdlim2
MLQENRQGRAAPRQSSSFRLLQEALEAEERGGTPAFVPSSLSSQASLPTSRALATPPKLHTCEKCSVNISNQAVRIQEGRYRHPGCYTCADCGLNLKMRGHFWVGNELYCEKHARQRYSMPGTLNSRA
					

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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	49.2	Very low	50.6	Low	236 Å²	236	163.9 Å²	163.9	100%	1.163	84%	0.836	S	S	*	*				0	118.3	0	-66	-135.3	-174.1	0	0	107.5
2	L	43.2	Very low	51.7	Low	173 Å²	173	161.1 Å²	161.1	91%	0.906	84%	0.837	S	S	*	*			trans	150.8	108.2	159.9	-81.1	163.8	0	0	0	107.4	E4	L2-E4 PolarHBondContact O-N 3.34Å
3	Q	48.3	Very low	52.6	Low	202 Å²	202	166.8 Å²	166.8	94%	0.944	84%	0.841	S	S	*	*			trans	-84.6	102.8	-174.9	-173.1	167.7	5.4	0	0	108.7
4	E	42.7	Very low	53.9	Low	181 Å²	181	160.7 Å²	160.7	85%	0.846	81%	0.808	S	S	*	*			trans	-71.8	132.2	-177.2	-99.2	-177.1	75.6	0	0	113.1	L2 R6	L2-E4 PolarHBondContact O-N 3.34Å; E4-R6 PolarHBondContact O-N 2.91Å
5	N	50.2	Low	55.2	Low	135 Å²	135	154.5 Å²	154.5	72%	0.722	79%	0.785	S	S	*	*			trans	-68.3	87	-179.7	-171.8	-88.4	0	0	0	111.3	Q7	N5-Q7 PolarHBondContact O-N 2.75Å; N5-Q7 VanDerWaalsContact O-N 3.1Å
6	R	50.1	Low	56.4	Low	241 Å²	241	150.9 Å²	150.9	91%	0.909	78%	0.779	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.2	21.3	-176.6	-118.6	158.1	77.5	-167.9	7.3	115.2	E4	E4-R6 PolarHBondContact O-N 2.91Å
7	Q	51.6	Low	57.4	Low	155 Å²	155	146.6 Å²	146.6	72%	0.724	77%	0.765	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.1	-3	-174.4	-106.4	87.5	55	0	0	115.2	N5 R9	N5-Q7 PolarHBondContact O-N 2.75Å; N5-Q7 VanDerWaalsContact O-N 3.1Å; Q7-R9 PolarHBondContact O-N 3.36Å
8	G	49.1	Very low	58.7	Low	73 Å²	73	145.3 Å²	145.3	75%	0.753	75%	0.753	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.2	4.3	-165.4	0	0	0	0	0	119.4
9	R	55.1	Low	59.9	Low	252 Å²	252	145.4 Å²	145.4	95%	0.951	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-143.2	27.6	-175.7	-79.5	-171.4	155.1	-175.5	-6.3	115.7	Q7	Q7-R9 PolarHBondContact O-N 3.36Å
10	A	58.4	Low	61	Low	75 Å²	75	143.7 Å²	143.7	62%	0.62	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-89.1	132.9	170.5	0	0	0	0	0	109.9
11	A	58.3	Low	62.1	Low	80 Å²	80	141.7 Å²	141.7	66%	0.661	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-49.4	146.8	167.9	0	0	0	0	0	110	R13	A11-R13 PolarHBondContact O-N 3.44Å
12	P	64.6	Low	63.7	Low	130 Å²	130	134.4 Å²	134.4	84%	0.844	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-51.9	116.3	-176	19	-30.6	0	0	0	109.7	Q14	P12-Q14 PolarHBondContact O-N 3.17Å
13	R	63.7	Low	65.4	Low	235 Å²	235	130 Å²	130	89%	0.887	66%	0.663	S	S	*	*			trans	-73.5	93.9	-179.2	-78.1	-178.7	158.7	-103.1	-1.3	108.4	A11	A11-R13 PolarHBondContact O-N 3.44Å
14	Q	70.6	Confident	66.7	Low	82 Å²	82	123.3 Å²	123.3	38%	0.383	64%	0.642	S	S	.	*			trans	-67	139.2	171.3	-169.6	177.3	14.3	0	0	109.5	P12 F18	P12-Q14 PolarHBondContact O-N 3.17Å; Q14-F18 HydrophobicContact CG-CB 3.87Å; Q14-F18 HydrophobicContact CG-CD1 4.01Å; Q14-F18 HydrophobicContact CG-CG 4.44Å; Q14-F18 VanDerWaalsContact NE2-CD1 3.27Å; Q14-F18 PolarHBondContact NE2-O 3.38Å
15	S	73.5	Confident	68.3	Low	67 Å²	67	120.5 Å²	120.5	47%	0.469	63%	0.632	S	S	.	*			trans	-65.7	144.7	172.6	58.4	0	0	0	0	109.9	S17 F18 R19	S15-S17 PolarHBondContact O-N 3.26Å; S15-S17 VanDerWaalsContact O-N 3.07Å; S15-S17 PolarHBondContact OG-OG 2.75Å; S15-F18 PolarHBondContact O-N 2.8Å; S15-F18 WeakPolarHBondContact OG-CB 3.48Å; S15-R19 PolarHBondContact O-N 3.25Å
16	S	74.2	Confident	69.3	Low	98 Å²	98	119.2 Å²	119.2	69%	0.685	62%	0.622	S	S	*	*	H	α-helix	trans	-54.6	-31.6	-179.7	-174.5	0	0	0	0	112.7
17	S	73.4	Confident	69.9	Low	77 Å²	77	111.6 Å²	111.6	54%	0.538	61%	0.61	S	S	.	*	H	α-helix	trans	-69.2	-37.6	178	59.5	0	0	0	0	112.6	S15 L21	S15-S17 PolarHBondContact O-N 3.26Å; S15-S17 VanDerWaalsContact O-N 3.07Å; S15-S17 PolarHBondContact OG-OG 2.75Å; S17-L21 WeakPolarHBondContact O-CD1 3.07Å; S17-L21 PolarHBondContact O-N 3.42Å
18	F	80.6	Confident	70.2	Confident	124 Å²	124	112 Å²	112	54%	0.544	61%	0.612	S	S	.	*	H	α-helix	trans	-77.1	-27.5	-177.1	-154.9	-111.4	0	0	0	111.7	Q14 S15 L21 Q22	Q14-F18 HydrophobicContact CG-CB 3.87Å; Q14-F18 HydrophobicContact CG-CD1 4.01Å; Q14-F18 HydrophobicContact CG-CG 4.44Å; Q14-F18 VanDerWaalsContact NE2-CD1 3.27Å; Q14-F18 PolarHBondContact NE2-O 3.38Å; S15-F18 PolarHBondContact O-N 2.8Å; S15-F18 WeakPolarHBondContact OG-CB 3.48Å; F18-L21 HydrophobicContact CD2-CD1 4.39Å; F18-Q22 PolarHBondContact O-N 3.35Å
19	R	82.1	Confident	70.5	Confident	146 Å²	146	117.1 Å²	117.1	55%	0.551	62%	0.616	S	S	*	*	H	α-helix	trans	-66.6	-42.7	174.5	-150.7	-176	95.2	144.9	13.8	112.4	S15 L21 Q22 E23	S15-R19 PolarHBondContact O-N 3.25Å; R19-L21 PolarHBondContact O-N 2.86Å; R19-Q22 PolarHBondContact O-N 3.33Å; R19-E23 IonicContact CZ-OE1 3.59Å; R19-E23 IonicContact NE-OE1 3.27Å; R19-E23 IonicContact NH2-OE1 2.89Å; R19-E23 PolarHBondContact NH2-OE1 3.37Å; R19-E23 WeakPolarHBondContact O-CG 3.2Å; R19-E23 PolarHBondContact O-N 3.36Å
20	L	81.8	Confident	70.5	Confident	111 Å²	111	116.8 Å²	116.8	58%	0.581	62%	0.615	S	S	*	*	H	α-helix	trans	-62.5	-39.4	176.6	-82.5	155.3	0	0	0	112.9	Q22 E23 A24	L20-Q22 VanDerWaalsContact C-N 3.33Å; L20-E23 PolarHBondContact O-N 3.47Å; L20-A24 PolarHBondContact O-N 3.33Å; L20-A24 VanDerWaalsContact O-N 3.09Å
21	L	83.8	Confident	69.7	Low	102 Å²	102	116.3 Å²	116.3	53%	0.534	62%	0.617	S	S	.	*	H	α-helix	trans	-64	-39.8	176	-82.1	153	0	0	0	111.8	S17 F18 R19 A24 L25	S17-L21 WeakPolarHBondContact O-CD1 3.07Å; S17-L21 PolarHBondContact O-N 3.42Å; F18-L21 HydrophobicContact CD2-CD1 4.39Å; R19-L21 PolarHBondContact O-N 2.86Å; L21-A24 PolarHBondContact O-N 2.9Å; L21-L25 WeakPolarHBondContact O-CG 3.07Å; L21-L25 PolarHBondContact O-N 3.4Å
22	Q	82.1	Confident	69.1	Low	83 Å²	83	116.2 Å²	116.2	39%	0.388	62%	0.624	S	S	.	*	H	α-helix	trans	-67.5	-45.4	177.3	-169.8	177.2	-19	0	0	111.3	F18 R19 L20 A24 L25 E26	F18-Q22 PolarHBondContact O-N 3.35Å; R19-Q22 PolarHBondContact O-N 3.33Å; L20-Q22 VanDerWaalsContact C-N 3.33Å; Q22-A24 VanDerWaalsContact C-N 3.26Å; Q22-A24 PolarHBondContact O-N 3.24Å; Q22-L25 PolarHBondContact O-N 3.07Å; Q22-E26 HydrophobicContact CG-CG 4.33Å; Q22-E26 PolarHBondContact NE2-OE1 2.89Å; Q22-E26 WeakPolarHBondContact O-CB 3.27Å; Q22-E26 VanDerWaalsContact O-CG 3.27Å; Q22-E26 WeakPolarHBondContact O-CG 3.33Å; Q22-E26 PolarHBondContact O-N 3.44Å
23	E	79.2	Confident	68.1	Low	82 Å²	82	116.5 Å²	116.5	38%	0.383	62%	0.623	S	S	.	*	H	α-helix	trans	-58.3	-36.3	176.2	-73.6	165.1	145.1	0	0	112	R19 L20 A27	R19-E23 IonicContact CZ-OE1 3.59Å; R19-E23 IonicContact NE-OE1 3.27Å; R19-E23 IonicContact NH2-OE1 2.89Å; R19-E23 PolarHBondContact NH2-OE1 3.37Å; R19-E23 WeakPolarHBondContact O-CG 3.2Å; R19-E23 PolarHBondContact O-N 3.36Å; L20-E23 PolarHBondContact O-N 3.47Å; E23-A27 WeakPolarHBondContact O-CB 3.07Å; E23-A27 PolarHBondContact O-N 2.68Å; E23-A27 VanDerWaalsContact O-N 3.12Å
24	A	74.9	Confident	68	Low	61 Å²	61	111.2 Å²	111.2	50%	0.504	62%	0.619	S	S	.	*	H	α-helix	trans	-70.6	-41	177.3	0	0	0	0	0	113.2	L20 L21 Q22 E28	L20-A24 PolarHBondContact O-N 3.33Å; L20-A24 VanDerWaalsContact O-N 3.09Å; L21-A24 PolarHBondContact O-N 2.9Å; Q22-A24 VanDerWaalsContact C-N 3.26Å; Q22-A24 PolarHBondContact O-N 3.24Å; A24-E28 PolarHBondContact O-N 3.38Å
25	L	76.3	Confident	67.1	Low	121 Å²	121	111.9 Å²	111.9	63%	0.634	64%	0.639	S	S	*	*	H	α-helix	trans	-69.3	-39.2	176.9	-69.3	169.4	0	0	0	111.6	L21 Q22 A27 E28	L21-L25 WeakPolarHBondContact O-CG 3.07Å; L21-L25 PolarHBondContact O-N 3.4Å; Q22-L25 PolarHBondContact O-N 3.07Å; L25-A27 VanDerWaalsContact C-N 3.32Å; L25-A27 PolarHBondContact O-N 2.95Å; L25-E28 WeakPolarHBondContact O-CB 3.41Å; L25-E28 PolarHBondContact O-N 3.48Å
26	E	71.8	Confident	65.6	Low	109 Å²	109	117.9 Å²	117.9	51%	0.509	66%	0.657	S	S	.	*	H	α-helix	trans	-68.7	-30.1	177.8	-69.7	167.1	153	0	0	112.2	Q22 E28 E29	Q22-E26 HydrophobicContact CG-CG 4.33Å; Q22-E26 PolarHBondContact NE2-OE1 2.89Å; Q22-E26 WeakPolarHBondContact O-CB 3.27Å; Q22-E26 VanDerWaalsContact O-CG 3.27Å; Q22-E26 WeakPolarHBondContact O-CG 3.33Å; Q22-E26 PolarHBondContact O-N 3.44Å; E26-E28 VanDerWaalsContact C-N 3.26Å; E26-E28 PolarHBondContact O-N 3.15Å; E26-E29 PolarHBondContact O-N 3.41Å
27	A	61.9	Low	64.9	Low	80 Å²	80	118.9 Å²	118.9	66%	0.661	66%	0.658	S	S	*	*	H	α-helix	trans	-69.8	-21.4	173.2	0	0	0	0	0	113.3	E23 L25	E23-A27 WeakPolarHBondContact O-CB 3.07Å; E23-A27 PolarHBondContact O-N 2.68Å; E23-A27 VanDerWaalsContact O-N 3.12Å; L25-A27 VanDerWaalsContact C-N 3.32Å; L25-A27 PolarHBondContact O-N 2.95Å
28	E	58.3	Low	63.6	Low	164 Å²	164	119.8 Å²	119.8	77%	0.766	66%	0.663	S	S	*	*	H	α-helix	trans	-79.2	-21.9	176.6	-125.8	-177.7	96	0	0	112.7	A24 L25 E26	A24-E28 PolarHBondContact O-N 3.38Å; L25-E28 WeakPolarHBondContact O-CB 3.41Å; L25-E28 PolarHBondContact O-N 3.48Å; E26-E28 VanDerWaalsContact C-N 3.26Å; E26-E28 PolarHBondContact O-N 3.15Å
29	E	57	Low	62.3	Low	181 Å²	181	119.4 Å²	119.4	85%	0.846	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.4	-12.4	-171.4	-151	-172	93.6	0	0	114.7	E26	E26-E29 PolarHBondContact O-N 3.41Å
30	R	55.1	Low	60.9	Low	245 Å²	245	116.4 Å²	116.4	93%	0.925	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.3	12.7	-173.4	-121.2	-171.1	-163.6	-156.7	5.7	116.5
31	G	41.8	Very low	59.4	Low	64 Å²	64	119.2 Å²	119.2	66%	0.66	69%	0.692	S	S	*	*			trans	-142.5	76.8	-178.9	0	0	0	0	0	112.9	T33	G31-T33 PolarHBondContact O-N 3.07Å
32	G	45.3	Very low	57.7	Low	78 Å²	78	118.5 Å²	118.5	80%	0.804	70%	0.695	S	S	*	*			trans	-73.2	117.2	173	0	0	0	0	0	112.5
33	T	42.9	Very low	56.2	Low	136 Å²	136	120 Å²	120	83%	0.834	71%	0.714	S	S	*	*				-153.8	144.7	126.8	43.9	0	0	0	0	110.2	G31	G31-T33 PolarHBondContact O-N 3.07Å
34	P	62.6	Low	54.6	Low	124 Å²	124	124 Å²	124	81%	0.805	73%	0.733	S	S	*	*			trans	-84.8	158.5	-174.8	34.8	-34.1	0	0	0	112.8
35	A	50.7	Low	53.6	Low	96 Å²	96	125 Å²	125	79%	0.793	74%	0.742	S	S	*	*			trans	83.1	98.5	168.3	0	0	0	0	0	117.7
36	F	41	Very low	52.1	Low	194 Å²	194	124.7 Å²	124.7	85%	0.851	75%	0.75	S	S	*	*				-157.1	112.9	114.1	-144	-105.3	0	0	0	108.9	P38	F36-P38 WeakPolarHBondContact O-CD 3.24Å
37	V	61.2	Low	51.5	Low	118 Å²	118	126.6 Å²	126.6	72%	0.715	76%	0.762	S	S	*	*			trans	-75.7	113.7	157.7	-78	0	0	0	0	107	S39	V37-S39 VanDerWaalsContact C-N 3.28Å; V37-S39 PolarHBondContact O-N 3.14Å
38	P	46.3	Very low	50.9	Low	97 Å²	97	128 Å²	128	63%	0.63	76%	0.764	S	S	*	*			trans	-75.6	102.2	135.7	30.1	-20.7	0	0	0	104.5	F36 S40	F36-P38 WeakPolarHBondContact O-CD 3.24Å; P38-S40 PolarHBondContact O-N 3.41Å
39	S	53.1	Low	50.3	Low	115 Å²	115	126.1 Å²	126.1	80%	0.804	77%	0.765	S	S	*	*			trans	-54.8	84.9	148.2	-69.1	0	0	0	0	107.5	V37	V37-S39 VanDerWaalsContact C-N 3.28Å; V37-S39 PolarHBondContact O-N 3.14Å
40	S	51.2	Low	49.9	Very low	84 Å²	84	122.2 Å²	122.2	59%	0.587	76%	0.757	S	S	*	*			trans	-123.3	87.8	156	55.8	0	0	0	0	105.2	P38 S42	P38-S40 PolarHBondContact O-N 3.41Å; S40-S42 PolarHBondContact O-N 2.71Å
41	L	51.6	Low	49.8	Very low	170 Å²	170	121.5 Å²	121.5	89%	0.89	75%	0.754	S	S	*	*			trans	-52.3	78.4	149.8	-67.1	168.8	0	0	0	107.5
42	S	48.3	Very low	50.3	Low	86 Å²	86	121.9 Å²	121.9	60%	0.601	75%	0.751	S	S	*	*			trans	-104.5	88.4	155.6	-81.2	0	0	0	0	104.2	S40 Q44	S40-S42 PolarHBondContact O-N 2.71Å; S42-Q44 PolarHBondContact O-N 2.74Å
43	S	48.9	Very low	50.6	Low	114 Å²	114	126.1 Å²	126.1	80%	0.797	76%	0.755	S	S	*	*			trans	-55.9	63.8	150	-53.7	0	0	0	0	108.5	A45	S43-A45 PolarHBondContact O-N 2.78Å
44	Q	45.9	Very low	51.2	Low	168 Å²	168	123.2 Å²	123.2	79%	0.785	74%	0.744	S	S	*	*			trans	-74.1	86.9	152.3	-74.1	-163.7	86	0	0	103.5	S42 S46	S42-Q44 PolarHBondContact O-N 2.74Å; Q44-S46 PolarHBondContact O-N 3.08Å
45	A	53.6	Low	51.2	Low	82 Å²	82	122.4 Å²	122.4	68%	0.678	74%	0.737	S	S	*	*			trans	-39.1	101.1	150.8	0	0	0	0	0	105.6	S43 L47	S43-A45 PolarHBondContact O-N 2.78Å; A45-L47 PolarHBondContact O-N 3.04Å
46	S	46.7	Very low	51.5	Low	114 Å²	114	122.7 Å²	122.7	80%	0.797	73%	0.731	S	S	*	*			trans	-59.8	91.5	159.8	9.9	0	0	0	0	103.2	Q44 P48	Q44-S46 PolarHBondContact O-N 3.08Å; S46-P48 VanDerWaalsContact O-N 3.14Å
47	L	58.1	Low	52.4	Low	148 Å²	148	118 Å²	118	78%	0.775	72%	0.72	S	S	*	*			trans	-33.9	123	157.8	-74.8	141	0	0	0	105.3	A45 T49	A45-L47 PolarHBondContact O-N 3.04Å; L47-T49 VanDerWaalsContact C-N 3.31Å; L47-T49 PolarHBondContact O-N 2.99Å
48	P	49.8	Very low	52.7	Low	109 Å²	109	121.3 Å²	121.3	71%	0.708	73%	0.725	S	S	*	*			trans	-54	107.4	177.9	20.2	-30.3	0	0	0	106.6	S46 S50	S46-P48 VanDerWaalsContact O-N 3.14Å; P48-S50 PolarHBondContact O-N 2.92Å; P48-S50 VanDerWaalsContact O-N 3.12Å
49	T	44.5	Very low	54.3	Low	126 Å²	126	120 Å²	120	77%	0.773	71%	0.712	S	S	*	*	S	Bend	trans	-52.8	122.2	178.8	-176.5	0	0	0	0	106	L47	L47-T49 VanDerWaalsContact C-N 3.31Å; L47-T49 PolarHBondContact O-N 2.99Å
50	S	50.2	Low	56.1	Low	98 Å²	98	118.1 Å²	118.1	69%	0.685	69%	0.691	S	S	*	*			trans	50.6	91.2	179.1	46.2	0	0	0	0	113.4	P48 A52	P48-S50 PolarHBondContact O-N 2.92Å; P48-S50 VanDerWaalsContact O-N 3.12Å; S50-A52 PolarHBondContact O-N 2.93Å
51	R	52.4	Low	58.1	Low	230 Å²	230	117.4 Å²	117.4	87%	0.868	68%	0.683	S	S	*	*			trans	-54.5	83.8	132.6	-65.6	-178.1	95.6	-179.6	8	105.8	L53	R51-L53 PolarHBondContact O-N 2.95Å
52	A	52.2	Low	60.1	Low	72 Å²	72	109.3 Å²	109.3	60%	0.595	64%	0.641	S	S	*	*			trans	-46.7	123.1	146.4	0	0	0	0	0	103.1	S50 A54	S50-A52 PolarHBondContact O-N 2.93Å; A52-A54 PolarHBondContact O-N 3.15Å
53	L	50.5	Low	62.2	Low	167 Å²	167	109.2 Å²	109.2	87%	0.874	63%	0.631	S	S	*	*			trans	-55.5	78	148.4	-103.3	65.8	0	0	0	104.3	R51 T55	R51-L53 PolarHBondContact O-N 2.95Å; L53-T55 PolarHBondContact O-N 2.89Å
54	A	56.7	Low	64.2	Low	75 Å²	75	109.6 Å²	109.6	62%	0.62	62%	0.618	S	S	*	*			trans	-61.5	97.5	159.4	0	0	0	0	0	100.4	A52	A52-A54 PolarHBondContact O-N 3.15Å
55	T	61.4	Low	66.5	Low	107 Å²	107	104.1 Å²	104.1	66%	0.656	60%	0.597	S	S	*	*			trans	-34.2	115.5	160.6	-53.1	0	0	0	0	104.4	L53	L53-T55 PolarHBondContact O-N 2.89Å
56	P	58.8	Low	68.3	Low	103 Å²	103	104.8 Å²	104.8	67%	0.669	60%	0.597	S	S	*	*			trans	-48.6	126.4	-174.1	16.2	-29.2	0	0	0	105.6	K58	P56-K58 PolarHBondContact O-N 3.28Å
57	P	59.7	Low	70.5	Confident	94 Å²	94	103.3 Å²	103.3	61%	0.61	58%	0.583	S	S	*	*			trans	-47.8	128.3	178.9	20.1	-31.4	0	0	0	105.1	L59	P57-L59 HydrophobicContact CB-CD2 4.15Å; P57-L59 HydrophobicContact CG-CD2 3.97Å; P57-L59 HydrophobicContact CG-CG 4.41Å; P57-L59 VanDerWaalsContact O-CG 3.29Å; P57-L59 WeakPolarHBondContact O-CG 3.37Å; P57-L59 PolarHBondContact O-N 3.16Å
58	K	67.1	Low	72.2	Confident	189 Å²	189	100.3 Å²	100.3	82%	0.822	57%	0.568	S	S	*	*			trans	-65	85.3	-172.8	-129.1	115.4	174.2	-176.2	0	106.8	P56 H60	P56-K58 PolarHBondContact O-N 3.28Å; K58-H60 PolarHBondContact O-N 3.42Å
59	L	79.4	Confident	74.2	Confident	70 Å²	70	95.5 Å²	95.5	37%	0.366	54%	0.536	S	S	.	.	P	Polyproline II helix	trans	-72.4	128.7	-174.4	-63.5	-174.1	0	0	0	106.3	P57 N68	P57-L59 HydrophobicContact CB-CD2 4.15Å; P57-L59 HydrophobicContact CG-CD2 3.97Å; P57-L59 HydrophobicContact CG-CG 4.41Å; P57-L59 VanDerWaalsContact O-CG 3.29Å; P57-L59 WeakPolarHBondContact O-CG 3.37Å; P57-L59 PolarHBondContact O-N 3.16Å; L59-N68 HydrophobicContact CB-CB 4.1Å; L59-N68 HydrophobicContact CD1-CB 4.06Å
60	H	90.9	Very high	76.3	Confident	75 Å²	75	93.6 Å²	93.6	35%	0.347	53%	0.528	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	134.6	175.4	-62.8	-50.3	0	0	0	109.4	K58 I69 A73 Y81	K58-H60 PolarHBondContact O-N 3.42Å; H60-I69 HydrophobicContact CB-CD1 4.16Å; H60-I69 VanDerWaalsContact O-CB 3.29Å; H60-I69 WeakPolarHBondContact O-CB 3.5Å; H60-I69 VanDerWaalsContact O-CG1 3.28Å; H60-I69 WeakPolarHBondContact O-CG1 3.16Å; H60-I69 PolarHBondContact O-N 2.61Å; H60-A73 HydrophobicContact CB-CB 4.4Å; H60-Y81 HydrophobicContact CB-CD1 3.94Å; H60-Y81 HydrophobicContact CB-CD2 3.73Å; H60-Y81 HydrophobicContact CB-CE1 4.48Å; H60-Y81 HydrophobicContact CB-CE2 4.32Å; H60-Y81 HydrophobicContact CB-CG 3.52Å; H60-Y81 AromaticContact CD2-CD1 3.69Å; H60-Y81 AromaticContact CD2-CE1 3.56Å; H60-Y81 AromaticContact CD2-CZ 3.97Å; H60-Y81 AromaticContact CE1-CE1 3.66Å; H60-Y81 AromaticContact CE1-CE2 3.71Å; H60-Y81 AromaticContact CE1-CZ 3.28Å; H60-Y81 PolarHBondContact CE1-OH 3.14Å; H60-Y81 VanDerWaalsContact CE1-OH 3.28Å; H60-Y81 AromaticContact CG-CD1 3.64Å; H60-Y81 AromaticContact CG-CD2 3.71Å; H60-Y81 AromaticContact CG-CE1 3.7Å; H60-Y81 AromaticContact CG-CE2 3.8Å; H60-Y81 AromaticContact CG-CG 3.64Å; H60-Y81 AromaticContact CG-CZ 3.78Å; H60-Y81 AromaticContact ND1-CD2 3.64Å; H60-Y81 AromaticContact ND1-CE1 3.76Å; H60-Y81 AromaticContact ND1-CE2 3.29Å; H60-Y81 VanDerWaalsContact ND1-CE2 3.29Å; H60-Y81 WeakPolarHBondContact ND1-CE2 3.24Å; H60-Y81 AromaticContact ND1-CZ 3.35Å; H60-Y81 VanDerWaalsContact ND1-CZ 3.35Å; H60-Y81 AromaticContact NE2-CE1 3.52Å; H60-Y81 AromaticContact NE2-CZ 3.65Å
61	T	93.6	Very high	77.9	Confident	69 Å²	69	96.8 Å²	96.8	42%	0.423	54%	0.537	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	129.7	176.3	-49.8	0	0	0	0	110.1	E63	T61-E63 PolarHBondContact O-N 3.32Å
62	C	93.8	Very high	79.6	Confident	0 Å²	0	92.2 Å²	92.2	0%	0	53%	0.526	C	S	.	.	B	Isolated β-bridge	trans	-71.8	116.5	174.5	177.8	0	0	0	0	109.8	K64 C65 S66 V67 I69 Y81 R82 H83	C62-K64 PolarHBondContact O-N 3.34Å; C62-C65 PolarHBondContact SG-SG 3.02Å; C62-S66 WeakPolarHBondContact O-CA 3.45Å; C62-S66 PolarHBondContact O-N 3.11Å; C62-V67 VanDerWaalsContact CB-O 3.24Å; C62-V67 WeakPolarHBondContact CB-O 3.44Å; C62-V67 PolarHBondContact N-O 3.39Å; C62-I69 HydrophobicContact CB-CD1 4.08Å; C62-I69 HydrophobicContact CB-CG1 3.88Å; C62-Y81 WeakPolarHBondContact CA-O 3.25Å; C62-R82 VanDerWaalsContact SG-CD 3.6Å; C62-H83 WeakPolarHBondContact CB-ND1 3.43Å; C62-H83 PolarHBondContact SG-ND1 3.34Å; C62-H83 VanDerWaalsContact SG-ND1 3.42Å
63	E	91.9	Very high	81.5	Confident	84 Å²	84	90.6 Å²	90.6	39%	0.393	51%	0.512	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-4.1	-177.3	-74.9	-154.2	122.1	0	0	114.8	T61 R80 Y81 R82	T61-E63 PolarHBondContact O-N 3.32Å; E63-R80 IonicContact OE1-CZ 3.3Å; E63-R80 IonicContact OE1-NE 3.89Å; E63-R80 IonicContact OE1-NH1 2.71Å; E63-R80 WeakPolarHBondContact OE2-CD 3.42Å; E63-R80 VanDerWaalsContact OE2-CG 3.25Å; E63-R80 WeakPolarHBondContact OE2-CG 3.36Å; E63-R80 IonicContact OE2-CZ 3.65Å; E63-R80 VanDerWaalsContact OE2-CZ 3.3Å; E63-R80 IonicContact OE2-NE 3.64Å; E63-R80 PolarHBondContact OE2-NE 2.88Å; E63-R80 IonicContact OE2-NH1 3.81Å; E63-R80 PolarHBondContact OE2-NH1 3Å; E63-Y81 PolarHBondContact N-O 2.92Å; E63-R82 VanDerWaalsContact C-CZ 3.48Å; E63-R82 VanDerWaalsContact CB-NE 3.27Å; E63-R82 PolarHBondContact O-NH2 2.86Å; E63-R82 IonicContact OE2-NH2 3.47Å
64	K	91.4	Very high	83.4	Confident	121 Å²	121	84.2 Å²	84.2	53%	0.526	48%	0.48	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-39	-176.4	-178.4	176.4	-167.2	-62.5	0	111.2	C62 R82 C86	C62-K64 PolarHBondContact O-N 3.34Å; K64-R82 VanDerWaalsContact CB-CD 3.42Å; K64-C86 HydrophobicContact CB-CB 4.08Å; K64-C86 HydrophobicContact CD-CB 3.9Å; K64-C86 VanDerWaalsContact CD-O 3.23Å; K64-C86 WeakPolarHBondContact CD-O 3.42Å; K64-C86 HydrophobicContact CG-CB 4.46Å
65	C	93.4	Very high	85.1	Confident	53 Å²	53	86.9 Å²	86.9	36%	0.358	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.4	-3.2	178.2	59.4	0	0	0	0	112.8	C62 V67 H83	C62-C65 PolarHBondContact SG-SG 3.02Å; C65-V67 HydrophobicContact CB-CG2 4.32Å; C65-V67 WeakPolarHBondContact O-CG2 3.23Å; C65-V67 PolarHBondContact O-N 3.4Å; C65-V67 VanDerWaalsContact O-N 3.08Å; C65-H83 VanDerWaalsContact SG-CE1 3.51Å; C65-H83 PolarHBondContact SG-ND1 3.42Å
66	S	92.4	Very high	86.5	Confident	97 Å²	97	82.6 Å²	82.6	68%	0.678	45%	0.447	S	S	*	.			trans	62.5	14.1	179.8	-38.9	0	0	0	0	114	C62	C62-S66 WeakPolarHBondContact O-CA 3.45Å; C62-S66 PolarHBondContact O-N 3.11Å
67	V	92.8	Very high	88	Confident	83 Å²	83	82.2 Å²	82.2	50%	0.503	44%	0.437	S	S	.	.			trans	-96.6	144.1	179.8	-177.1	0	0	0	0	110.1	C62 C65	C62-V67 VanDerWaalsContact CB-O 3.24Å; C62-V67 WeakPolarHBondContact CB-O 3.44Å; C62-V67 PolarHBondContact N-O 3.39Å; C65-V67 HydrophobicContact CB-CG2 4.32Å; C65-V67 WeakPolarHBondContact O-CG2 3.23Å; C65-V67 PolarHBondContact O-N 3.4Å; C65-V67 VanDerWaalsContact O-N 3.08Å
68	N	92.9	Very high	89.3	Confident	85 Å²	85	85.1 Å²	85.1	46%	0.455	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	136.9	174	-63.3	-66.6	0	0	0	111.7	L59	L59-N68 HydrophobicContact CB-CB 4.1Å; L59-N68 HydrophobicContact CD1-CB 4.06Å
69	I	92.4	Very high	90.2	Very high	8 Å²	8	78.9 Å²	78.9	4%	0.041	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	107.3	178.4	-54.3	165.9	0	0	0	108.4	H60 C62 Q72 A73 H83	H60-I69 HydrophobicContact CB-CD1 4.16Å; H60-I69 VanDerWaalsContact O-CB 3.29Å; H60-I69 WeakPolarHBondContact O-CB 3.5Å; H60-I69 VanDerWaalsContact O-CG1 3.28Å; H60-I69 WeakPolarHBondContact O-CG1 3.16Å; H60-I69 PolarHBondContact O-N 2.61Å; C62-I69 HydrophobicContact CB-CD1 4.08Å; C62-I69 HydrophobicContact CB-CG1 3.88Å; I69-Q72 WeakPolarHBondContact CG2-O 3.27Å; I69-A73 HydrophobicContact CB-CB 4.29Å; I69-A73 HydrophobicContact CD1-CB 3.77Å; I69-A73 HydrophobicContact CG2-CB 3.76Å; I69-H83 WeakPolarHBondContact CG1-NE2 3.45Å
70	S	87.6	Confident	90.7	Very high	86 Å²	86	78 Å²	78	60%	0.601	42%	0.423	S	S	*	.	S	Bend	trans	-82.1	-33.5	-176.5	-54.1	0	0	0	0	114.4
71	N	84.3	Confident	90.8	Very high	164 Å²	164	76.2 Å²	76.2	88%	0.877	41%	0.413	S	S	*	.	S	Bend	trans	-114.3	-70.3	-166.9	-62.9	-6.7	0	0	0	112.7
72	Q	88.3	Confident	90.8	Very high	134 Å²	134	74.3 Å²	74.3	63%	0.626	40%	0.398	S	S	*	.			trans	-125	120	-175.4	-174.6	175.3	84.6	0	0	109.7	I69 P84	I69-Q72 WeakPolarHBondContact CG2-O 3.27Å; Q72-P84 HydrophobicContact CB-CG 4.23Å; Q72-P84 HydrophobicContact CG-CG 4.09Å; Q72-P84 VanDerWaalsContact O-CD 3.26Å; Q72-P84 WeakPolarHBondContact O-CD 3.35Å
73	A	91.4	Very high	90.9	Very high	38 Å²	38	76.4 Å²	76.4	31%	0.314	41%	0.408	S	S	.	.			trans	-106.9	132.5	176.4	0	0	0	0	0	110.5	H60 I69 Y81	H60-A73 HydrophobicContact CB-CB 4.4Å; I69-A73 HydrophobicContact CB-CB 4.29Å; I69-A73 HydrophobicContact CD1-CB 3.77Å; I69-A73 HydrophobicContact CG2-CB 3.76Å; A73-Y81 HydrophobicContact CB-CD1 4.03Å
74	V	91.9	Very high	90.9	Very high	33 Å²	33	74.1 Å²	74.1	20%	0.2	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	114.1	165.4	-178.7	0	0	0	0	107.1	Y81 R82 P84 Y87	V74-Y81 WeakPolarHBondContact O-CA 3.07Å; V74-R82 PolarHBondContact N-O 3.24Å; V74-R82 PolarHBondContact O-N 3.41Å; V74-P84 HydrophobicContact CG2-CB 4.32Å; V74-P84 HydrophobicContact CG2-CG 4.23Å; V74-Y87 HydrophobicContact CB-CG 4.48Å; V74-Y87 HydrophobicContact CG1-CD1 4.01Å; V74-Y87 HydrophobicContact CG1-CD2 4.06Å; V74-Y87 HydrophobicContact CG1-CE1 4.26Å; V74-Y87 HydrophobicContact CG1-CE2 4.34Å; V74-Y87 HydrophobicContact CG1-CG 3.88Å
75	R	92.2	Very high	91	Very high	131 Å²	131	71.2 Å²	71.2	49%	0.494	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	121.8	173.6	-176.4	177	171.9	177.3	-7.7	108.9	Q77 E78 Y81	R75-Q77 WeakPolarHBondContact CG-O 3.18Å; R75-E78 IonicContact CZ-OE1 2.72Å; R75-E78 IonicContact CZ-OE2 2.78Å; R75-E78 IonicContact NH1-OE2 3.93Å; R75-E78 IonicContact NH2-OE1 3.53Å; R75-E78 PolarHBondContact NH2-OE1 2.98Å; R75-E78 IonicContact NH2-OE2 3.77Å; R75-E78 PolarHBondContact NH2-OE2 2.99Å; R75-Y81 HydrophobicContact CB-CD1 3.98Å; R75-Y81 HydrophobicContact CB-CE1 3.87Å; R75-Y81 HydrophobicContact CG-CD1 4.26Å; R75-Y81 HydrophobicContact CG-CE1 3.85Å
76	I	91.1	Very high	91.1	Very high	18 Å²	18	69.8 Å²	69.8	9%	0.092	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	-43.9	179.8	-48.5	164	0	0	0	110.6	R80 R82 Y87 H101 W103 L108	I76-R80 PolarHBondContact N-O 3.34Å; I76-R82 HydrophobicContact CD1-CB 4.04Å; I76-R82 HydrophobicContact CD1-CG 3.27Å; I76-R82 HydrophobicContact CG1-CG 4.28Å; I76-Y87 HydrophobicContact CD1-CD2 4.25Å; I76-Y87 HydrophobicContact CD1-CE2 4.46Å; I76-Y87 HydrophobicContact CG1-CD2 4.04Å; I76-Y87 HydrophobicContact CG1-CE2 3.97Å; I76-Y87 HydrophobicContact CG2-CE2 4.39Å; I76-H101 WeakPolarHBondContact CG2-NE2 3.38Å; I76-W103 HydrophobicContact CB-CZ2 4.25Å; I76-W103 HydrophobicContact CG2-CZ2 3.46Å; I76-W103 VanDerWaalsContact CG2-CZ2 3.46Å; I76-L108 HydrophobicContact CD1-CD1 3.5Å; I76-L108 HydrophobicContact CG1-CD1 4.45Å; I76-L108 HydrophobicContact CG2-CD2 3.86Å
77	Q	88.8	Confident	91.2	Very high	94 Å²	94	66 Å²	66	44%	0.439	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	173.4	174.9	-72.4	-177.4	-44.3	0	0	109.4	R75 G79 R80 W103	R75-Q77 WeakPolarHBondContact CG-O 3.18Å; Q77-G79 PolarHBondContact O-N 2.91Å; Q77-R80 HydrophobicContact CB-CB 4.3Å; Q77-R80 PolarHBondContact O-N 3.18Å; Q77-R80 VanDerWaalsContact O-N 3.12Å; Q77-W103 HydrophobicContact CG-CZ2 4.34Å
78	E	87.8	Confident	91.3	Very high	156 Å²	156	63.1 Å²	63.1	73%	0.729	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	119.6	169	-163.3	77.2	56.7	0	0	109.5	R75 R80	R75-E78 IonicContact CZ-OE1 2.72Å; R75-E78 IonicContact CZ-OE2 2.78Å; R75-E78 IonicContact NH1-OE2 3.93Å; R75-E78 IonicContact NH2-OE1 3.53Å; R75-E78 PolarHBondContact NH2-OE1 2.98Å; R75-E78 IonicContact NH2-OE2 3.77Å; R75-E78 PolarHBondContact NH2-OE2 2.99Å; E78-R80 VanDerWaalsContact C-N 3.28Å; E78-R80 PolarHBondContact O-N 2.7Å
79	G	85.3	Confident	91.5	Very high	57 Å²	57	59.2 Å²	59.2	59%	0.588	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.4	-7.4	-178.9	0	0	0	0	0	116.8	Q77	Q77-G79 PolarHBondContact O-N 2.91Å
80	R	90.6	Very high	91.6	Very high	53 Å²	53	61.1 Å²	61.1	20%	0.2	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	119.5	177.5	-73.6	-171.4	-178.7	-132.5	16.1	112.8	E63 I76 Q77 E78 N106	E63-R80 IonicContact OE1-CZ 3.3Å; E63-R80 IonicContact OE1-NE 3.89Å; E63-R80 IonicContact OE1-NH1 2.71Å; E63-R80 WeakPolarHBondContact OE2-CD 3.42Å; E63-R80 VanDerWaalsContact OE2-CG 3.25Å; E63-R80 WeakPolarHBondContact OE2-CG 3.36Å; E63-R80 IonicContact OE2-CZ 3.65Å; E63-R80 VanDerWaalsContact OE2-CZ 3.3Å; E63-R80 IonicContact OE2-NE 3.64Å; E63-R80 PolarHBondContact OE2-NE 2.88Å; E63-R80 IonicContact OE2-NH1 3.81Å; E63-R80 PolarHBondContact OE2-NH1 3Å; I76-R80 PolarHBondContact N-O 3.34Å; Q77-R80 HydrophobicContact CB-CB 4.3Å; Q77-R80 PolarHBondContact O-N 3.18Å; Q77-R80 VanDerWaalsContact O-N 3.12Å; E78-R80 VanDerWaalsContact C-N 3.28Å; E78-R80 PolarHBondContact O-N 2.7Å; R80-N106 PolarHBondContact NH1-ND2 2.75Å; R80-N106 VanDerWaalsContact NH1-ND2 3.14Å; R80-N106 PolarHBondContact NH2-ND2 3.28Å; R80-N106 PolarHBondContact NH2-OD1 3.34Å
81	Y	93.1	Very high	91.9	Very high	37 Å²	37	61 Å²	61	15%	0.145	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	149.6	-177	-58.1	-93.4	0	0	0	111.5	H60 C62 E63 A73 V74 R75	H60-Y81 HydrophobicContact CB-CD1 3.94Å; H60-Y81 HydrophobicContact CB-CD2 3.73Å; H60-Y81 HydrophobicContact CB-CE1 4.48Å; H60-Y81 HydrophobicContact CB-CE2 4.32Å; H60-Y81 HydrophobicContact CB-CG 3.52Å; H60-Y81 AromaticContact CD2-CD1 3.69Å; H60-Y81 AromaticContact CD2-CE1 3.56Å; H60-Y81 AromaticContact CD2-CZ 3.97Å; H60-Y81 AromaticContact CE1-CE1 3.66Å; H60-Y81 AromaticContact CE1-CE2 3.71Å; H60-Y81 AromaticContact CE1-CZ 3.28Å; H60-Y81 PolarHBondContact CE1-OH 3.14Å; H60-Y81 VanDerWaalsContact CE1-OH 3.28Å; H60-Y81 AromaticContact CG-CD1 3.64Å; H60-Y81 AromaticContact CG-CD2 3.71Å; H60-Y81 AromaticContact CG-CE1 3.7Å; H60-Y81 AromaticContact CG-CE2 3.8Å; H60-Y81 AromaticContact CG-CG 3.64Å; H60-Y81 AromaticContact CG-CZ 3.78Å; H60-Y81 AromaticContact ND1-CD2 3.64Å; H60-Y81 AromaticContact ND1-CE1 3.76Å; H60-Y81 AromaticContact ND1-CE2 3.29Å; H60-Y81 VanDerWaalsContact ND1-CE2 3.29Å; H60-Y81 WeakPolarHBondContact ND1-CE2 3.24Å; H60-Y81 AromaticContact ND1-CZ 3.35Å; H60-Y81 VanDerWaalsContact ND1-CZ 3.35Å; H60-Y81 AromaticContact NE2-CE1 3.52Å; H60-Y81 AromaticContact NE2-CZ 3.65Å; C62-Y81 WeakPolarHBondContact CA-O 3.25Å; E63-Y81 PolarHBondContact N-O 2.92Å; A73-Y81 HydrophobicContact CB-CD1 4.03Å; V74-Y81 WeakPolarHBondContact O-CA 3.07Å; R75-Y81 HydrophobicContact CB-CD1 3.98Å; R75-Y81 HydrophobicContact CB-CE1 3.87Å; R75-Y81 HydrophobicContact CG-CD1 4.26Å; R75-Y81 HydrophobicContact CG-CE1 3.85Å
82	R	94.1	Very high	92.4	Very high	28 Å²	28	56.5 Å²	56.5	11%	0.106	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	154.6	174.1	-71	-75.8	159.2	86.2	-17	110.5	C62 E63 K64 V74 I76 C86	C62-R82 VanDerWaalsContact SG-CD 3.6Å; E63-R82 VanDerWaalsContact C-CZ 3.48Å; E63-R82 VanDerWaalsContact CB-NE 3.27Å; E63-R82 PolarHBondContact O-NH2 2.86Å; E63-R82 IonicContact OE2-NH2 3.47Å; K64-R82 VanDerWaalsContact CB-CD 3.42Å; V74-R82 PolarHBondContact N-O 3.24Å; V74-R82 PolarHBondContact O-N 3.41Å; I76-R82 HydrophobicContact CD1-CB 4.04Å; I76-R82 HydrophobicContact CD1-CG 3.27Å; I76-R82 HydrophobicContact CG1-CG 4.28Å; R82-C86 HydrophobicContact CB-CB 4.34Å
83	H	95.1	Very high	92.7	Very high	45 Å²	45	52.2 Å²	52.2	21%	0.208	31%	0.31	C	S	.	.			trans	-63.7	153.8	165.1	-63.5	113.6	0	0	0	111.1	C62 C65 I69 G85 C86 Y87	C62-H83 WeakPolarHBondContact CB-ND1 3.43Å; C62-H83 PolarHBondContact SG-ND1 3.34Å; C62-H83 VanDerWaalsContact SG-ND1 3.42Å; C65-H83 VanDerWaalsContact SG-CE1 3.51Å; C65-H83 PolarHBondContact SG-ND1 3.42Å; I69-H83 WeakPolarHBondContact CG1-NE2 3.45Å; H83-G85 PolarHBondContact O-N 2.76Å; H83-C86 HydrophobicContact CB-CB 3.91Å; H83-C86 CarbonylContact O-C 3.55Å; H83-C86 WeakPolarHBondContact O-CA 3.47Å; H83-C86 PolarHBondContact O-N 3.12Å; H83-Y87 PolarHBondContact O-N 2.9Å
84	P	92.9	Very high	92.9	Very high	36 Å²	36	53.2 Å²	53.2	23%	0.234	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-32.1	172.6	-24.4	33.3	0	0	0	113.4	Q72 V74 N95	Q72-P84 HydrophobicContact CB-CG 4.23Å; Q72-P84 HydrophobicContact CG-CG 4.09Å; Q72-P84 VanDerWaalsContact O-CD 3.26Å; Q72-P84 WeakPolarHBondContact O-CD 3.35Å; V74-P84 HydrophobicContact CG2-CB 4.32Å; V74-P84 HydrophobicContact CG2-CG 4.23Å; P84-N95 PolarHBondContact O-ND2 3.28Å
85	G	93	Very high	93	Very high	60 Å²	60	54.3 Å²	54.3	62%	0.619	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-20.3	174	0	0	0	0	0	114.3	H83 T88	H83-G85 PolarHBondContact O-N 2.76Å; G85-T88 WeakPolarHBondContact O-CG2 3.43Å
86	C	94.7	Very high	93.1	Very high	22 Å²	22	48 Å²	48	15%	0.149	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-9.9	176.4	-65.6	0	0	0	0	113	K64 R82 H83 T88	K64-C86 HydrophobicContact CB-CB 4.08Å; K64-C86 HydrophobicContact CD-CB 3.9Å; K64-C86 VanDerWaalsContact CD-O 3.23Å; K64-C86 WeakPolarHBondContact CD-O 3.42Å; K64-C86 HydrophobicContact CG-CB 4.46Å; R82-C86 HydrophobicContact CB-CB 4.34Å; H83-C86 HydrophobicContact CB-CB 3.91Å; H83-C86 CarbonylContact O-C 3.55Å; H83-C86 WeakPolarHBondContact O-CA 3.47Å; H83-C86 PolarHBondContact O-N 3.12Å; C86-T88 PolarHBondContact O-N 3.17Å
87	Y	94.7	Very high	93.1	Very high	17 Å²	17	54 Å²	54	7%	0.067	32%	0.316	C	S	.	.			trans	-82.7	69.6	178.1	-174.4	-117.2	0	0	0	110.4	V74 I76 H83 L96 K97 H101 L108	V74-Y87 HydrophobicContact CB-CG 4.48Å; V74-Y87 HydrophobicContact CG1-CD1 4.01Å; V74-Y87 HydrophobicContact CG1-CD2 4.06Å; V74-Y87 HydrophobicContact CG1-CE1 4.26Å; V74-Y87 HydrophobicContact CG1-CE2 4.34Å; V74-Y87 HydrophobicContact CG1-CG 3.88Å; I76-Y87 HydrophobicContact CD1-CD2 4.25Å; I76-Y87 HydrophobicContact CD1-CE2 4.46Å; I76-Y87 HydrophobicContact CG1-CD2 4.04Å; I76-Y87 HydrophobicContact CG1-CE2 3.97Å; I76-Y87 HydrophobicContact CG2-CE2 4.39Å; H83-Y87 PolarHBondContact O-N 2.9Å; Y87-L96 HydrophobicContact CD1-CB 3.86Å; Y87-L96 HydrophobicContact CE1-CB 3.54Å; Y87-L96 WeakPolarHBondContact CE1-O 3.49Å; Y87-L96 HydrophobicContact CE2-CB 4.35Å; Y87-L96 HydrophobicContact CG-CB 4.41Å; Y87-L96 PolarHBondContact O-N 2.81Å; Y87-K97 HydrophobicContact CD1-CB 4.06Å; Y87-K97 HydrophobicContact CE1-CB 4.29Å; Y87-K97 VanDerWaalsContact CE1-N 3.31Å; Y87-H101 HydrophobicContact CE2-CB 4.2Å; Y87-H101 AromaticContact CZ-ND1 3.8Å; Y87-H101 WeakPolarHBondContact OH-CB 3.43Å; Y87-H101 VanDerWaalsContact OH-CG 3.28Å; Y87-H101 PolarHBondContact OH-ND1 2.71Å; Y87-L108 HydrophobicContact CD2-CD1 4.06Å; Y87-L108 HydrophobicContact CE2-CD1 4.18Å
88	T	96.1	Very high	93	Very high	24 Å²	24	57.2 Å²	57.2	15%	0.147	33%	0.333	C	S	.	.	B	Isolated β-bridge	trans	-130.7	156.1	-172.7	54.3	0	0	0	0	111.7	G85 C86 G93 L94	G85-T88 WeakPolarHBondContact O-CG2 3.43Å; C86-T88 PolarHBondContact O-N 3.17Å; T88-G93 WeakPolarHBondContact CB-O 3.28Å; T88-G93 VanDerWaalsContact CG2-O 3.27Å; T88-G93 WeakPolarHBondContact CG2-O 3.19Å; T88-L94 CarbonylContact C-O 3.51Å; T88-L94 WeakPolarHBondContact CA-O 3.47Å
89	C	95.9	Very high	93.1	Very high	2 Å²	2	58.7 Å²	58.7	1%	0.014	33%	0.332	C	S	.	.			trans	-62.4	134.9	173	-178.5	0	0	0	0	110.5	D91 C92 G93 L94 L96 L108 C110 H113	C89-D91 VanDerWaalsContact C-N 3.35Å; C89-D91 PolarHBondContact O-N 3.03Å; C89-C92 VanDerWaalsContact SG-SG 3.68Å; C89-G93 VanDerWaalsContact O-CA 3.24Å; C89-G93 WeakPolarHBondContact O-CA 3.16Å; C89-G93 PolarHBondContact O-N 3.28Å; C89-L94 HydrophobicContact CB-CB 4.33Å; C89-L94 PolarHBondContact N-O 2.72Å; C89-L96 HydrophobicContact CB-CD2 4.14Å; C89-L108 WeakPolarHBondContact CA-O 3.4Å; C89-C110 HydrophobicContact CB-CB 4.11Å; C89-C110 PolarHBondContact SG-N 2.93Å; C89-H113 PolarHBondContact SG-ND1 2.82Å; C89-H113 VanDerWaalsContact SG-ND1 3.36Å
90	A	94.6	Very high	93.3	Very high	49 Å²	49	57.5 Å²	57.5	41%	0.405	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-32.9	179.6	0	0	0	0	0	114.1	E107 L108 Y109	A90-E107 WeakPolarHBondContact CB-OE1 3.15Å; A90-L108 PolarHBondContact N-O 3.2Å; A90-Y109 HydrophobicContact CB-CD1 4.28Å; A90-Y109 HydrophobicContact CB-CE1 3.67Å
91	D	94.6	Very high	93.4	Very high	84 Å²	84	57.8 Å²	57.8	45%	0.449	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-46.9	179.7	-61.4	-76	0	0	0	114.5	C89 Y109 H113 R117	C89-D91 VanDerWaalsContact C-N 3.35Å; C89-D91 PolarHBondContact O-N 3.03Å; D91-Y109 WeakPolarHBondContact OD2-CD1 3.29Å; D91-Y109 WeakPolarHBondContact OD2-CE1 3.48Å; D91-H113 IonicContact OD2-CG 3.88Å; D91-H113 IonicContact OD2-ND1 2.68Å; D91-R117 IonicContact OD1-CZ 3.75Å; D91-R117 IonicContact OD1-NH1 2.61Å; D91-R117 IonicContact OD1-NH2 2.75Å; D91-R117 PolarHBondContact OD1-NH2 3.12Å; D91-R117 IonicContact OD2-CZ 3.22Å; D91-R117 IonicContact OD2-NH1 3.89Å; D91-R117 PolarHBondContact OD2-NH1 3.2Å; D91-R117 IonicContact OD2-NH2 2.91Å; D91-R117 PolarHBondContact OD2-NH2 3.28Å
92	C	95.3	Very high	93.5	Very high	69 Å²	69	59.9 Å²	59.9	47%	0.466	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.4	-1.4	-171.6	60.8	0	0	0	0	114.7	C89 L94 H113	C89-C92 VanDerWaalsContact SG-SG 3.68Å; C92-L94 PolarHBondContact O-N 3.41Å; C92-H113 PolarHBondContact SG-CE1 2.62Å
93	G	94.3	Very high	93.4	Very high	44 Å²	44	61.3 Å²	61.3	45%	0.454	34%	0.339	S	S	.	.			trans	66.9	7.9	-179.2	0	0	0	0	0	114.9	T88 C89 N95	T88-G93 WeakPolarHBondContact CB-O 3.28Å; T88-G93 VanDerWaalsContact CG2-O 3.27Å; T88-G93 WeakPolarHBondContact CG2-O 3.19Å; C89-G93 VanDerWaalsContact O-CA 3.24Å; C89-G93 WeakPolarHBondContact O-CA 3.16Å; C89-G93 PolarHBondContact O-N 3.28Å; G93-N95 PolarHBondContact O-N 2.78Å
94	L	94.8	Very high	93.2	Very high	58 Å²	58	60.8 Å²	60.8	30%	0.304	34%	0.339	S	S	.	.			trans	-59.9	134.1	179.7	-176.2	73.2	0	0	0	111	T88 C89 C92 L96 C110	T88-L94 CarbonylContact C-O 3.51Å; T88-L94 WeakPolarHBondContact CA-O 3.47Å; C89-L94 HydrophobicContact CB-CB 4.33Å; C89-L94 PolarHBondContact N-O 2.72Å; C92-L94 PolarHBondContact O-N 3.41Å; L94-L96 PolarHBondContact O-N 3.06Å; L94-C110 HydrophobicContact CD2-CB 4.04Å
95	N	94.5	Very high	93	Very high	56 Å²	56	62.7 Å²	62.7	30%	0.299	37%	0.365	S	S	.	.	B	Isolated β-bridge	trans	-67.6	119.4	176	-165.1	-46.8	0	0	0	111.3	P84 G93 K97	P84-N95 PolarHBondContact O-ND2 3.28Å; G93-N95 PolarHBondContact O-N 2.78Å; N95-K97 VanDerWaalsContact C-N 3.35Å; N95-K97 WeakPolarHBondContact OD1-CB 3.42Å; N95-K97 WeakPolarHBondContact OD1-CG 3.28Å; N95-K97 PolarHBondContact OD1-N 2.63Å
96	L	94.5	Very high	92.7	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-7.5	-174.9	-59.8	176.2	0	0	0	112.7	Y87 C89 L94 M98 R99 G100 H101 L108 C110	Y87-L96 HydrophobicContact CD1-CB 3.86Å; Y87-L96 HydrophobicContact CE1-CB 3.54Å; Y87-L96 WeakPolarHBondContact CE1-O 3.49Å; Y87-L96 HydrophobicContact CE2-CB 4.35Å; Y87-L96 HydrophobicContact CG-CB 4.41Å; Y87-L96 PolarHBondContact O-N 2.81Å; C89-L96 HydrophobicContact CB-CD2 4.14Å; L94-L96 PolarHBondContact O-N 3.06Å; L96-M98 PolarHBondContact O-N 3.12Å; L96-R99 PolarHBondContact O-N 2.71Å; L96-G100 WeakPolarHBondContact CD2-O 3.29Å; L96-G100 CarbonylContact O-C 3.56Å; L96-G100 WeakPolarHBondContact O-CA 3.29Å; L96-G100 PolarHBondContact O-N 2.93Å; L96-H101 HydrophobicContact CB-CB 4.24Å; L96-H101 HydrophobicContact CD1-CB 3.79Å; L96-L108 HydrophobicContact CD1-CB 3.78Å; L96-C110 HydrophobicContact CD2-CB 3.76Å
97	K	89.6	Confident	92.6	Very high	142 Å²	142	68.6 Å²	68.6	62%	0.617	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-33.4	-177.4	86.5	-175.1	-178	175.4	0	113	Y87 N95	Y87-K97 HydrophobicContact CD1-CB 4.06Å; Y87-K97 HydrophobicContact CE1-CB 4.29Å; Y87-K97 VanDerWaalsContact CE1-N 3.31Å; N95-K97 VanDerWaalsContact C-N 3.35Å; N95-K97 WeakPolarHBondContact OD1-CB 3.42Å; N95-K97 WeakPolarHBondContact OD1-CG 3.28Å; N95-K97 PolarHBondContact OD1-N 2.63Å
98	M	88.4	Confident	92.5	Very high	163 Å²	163	68 Å²	68	80%	0.803	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	-24.1	-176.4	-65.2	-172.8	69.6	0	0	113.4	L96	L96-M98 PolarHBondContact O-N 3.12Å
99	R	89	Confident	92.5	Very high	186 Å²	186	67.6 Å²	67.6	70%	0.702	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.9	-10.3	-173.5	-62.2	-158	-178.9	165.5	-4.6	114.1	L96	L96-R99 PolarHBondContact O-N 2.71Å
100	G	89.6	Confident	92.5	Very high	33 Å²	33	68 Å²	68	34%	0.34	37%	0.374	S	S	.	.			trans	85	170.5	-170.1	0	0	0	0	0	112.4	L96	L96-G100 WeakPolarHBondContact CD2-O 3.29Å; L96-G100 CarbonylContact O-C 3.56Å; L96-G100 WeakPolarHBondContact O-CA 3.29Å; L96-G100 PolarHBondContact O-N 2.93Å
101	H	93.1	Very high	92.4	Very high	58 Å²	58	70.2 Å²	70.2	27%	0.269	38%	0.376	S	S	.	.			trans	-127.9	157.7	179.5	71	-80	0	0	0	110.4	I76 Y87 L96 W103 L108	I76-H101 WeakPolarHBondContact CG2-NE2 3.38Å; Y87-H101 HydrophobicContact CE2-CB 4.2Å; Y87-H101 AromaticContact CZ-ND1 3.8Å; Y87-H101 WeakPolarHBondContact OH-CB 3.43Å; Y87-H101 VanDerWaalsContact OH-CG 3.28Å; Y87-H101 PolarHBondContact OH-ND1 2.71Å; L96-H101 HydrophobicContact CB-CB 4.24Å; L96-H101 HydrophobicContact CD1-CB 3.79Å; H101-W103 AromaticContact CD2-CD1 3.5Å; H101-W103 AromaticContact CD2-NE1 3.39Å; H101-W103 PolarHBondContact CD2-NE1 2.78Å; H101-W103 AromaticContact NE2-CD1 3.46Å; H101-W103 AromaticContact NE2-NE1 3.11Å; H101-W103 PolarHBondContact NE2-NE1 2.72Å; H101-W103 VanDerWaalsContact NE2-NE1 3.11Å; H101-L108 HydrophobicContact CB-CD2 3.97Å; H101-L108 WeakPolarHBondContact CD2-CD2 3.26Å
102	F	94.3	Very high	92.4	Very high	81 Å²	81	72.8 Å²	72.8	36%	0.355	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	136.4	170	-63.9	-97	0	0	0	108.4	Y109 E111 A114	F102-Y109 PolarHBondContact N-O 2.71Å; F102-Y109 PolarHBondContact O-N 3.47Å; F102-E111 HydrophobicContact CD2-CB 4.24Å; F102-E111 HydrophobicContact CE2-CB 3.56Å; F102-E111 HydrophobicContact CE2-CG 3.84Å; F102-E111 HydrophobicContact CZ-CB 4.23Å; F102-E111 HydrophobicContact CZ-CG 3.99Å; F102-A114 HydrophobicContact CB-CB 3.3Å; F102-A114 HydrophobicContact CD1-CB 4.4Å; F102-A114 HydrophobicContact CD2-CB 4.08Å; F102-A114 HydrophobicContact CG-CB 3.68Å
103	W	92.3	Very high	92.5	Very high	59 Å²	59	70.9 Å²	70.9	22%	0.223	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	125.9	173.8	-77.6	94.5	0	0	0	109.8	I76 Q77 H101 N106 L108	I76-W103 HydrophobicContact CB-CZ2 4.25Å; I76-W103 HydrophobicContact CG2-CZ2 3.46Å; I76-W103 VanDerWaalsContact CG2-CZ2 3.46Å; Q77-W103 HydrophobicContact CG-CZ2 4.34Å; H101-W103 AromaticContact CD2-CD1 3.5Å; H101-W103 AromaticContact CD2-NE1 3.39Å; H101-W103 PolarHBondContact CD2-NE1 2.78Å; H101-W103 AromaticContact NE2-CD1 3.46Å; H101-W103 AromaticContact NE2-NE1 3.11Å; H101-W103 PolarHBondContact NE2-NE1 2.72Å; H101-W103 VanDerWaalsContact NE2-NE1 3.11Å; W103-N106 VanDerWaalsContact CZ3-C 3.41Å; W103-N106 WeakPolarHBondContact CZ3-O 3.48Å; W103-L108 HydrophobicContact CD2-CD2 3.93Å; W103-L108 HydrophobicContact CE3-CD2 4.39Å; W103-L108 HydrophobicContact CG-CD2 4.44Å; W103-L108 HydrophobicContact CH2-CD2 4.23Å; W103-L108 HydrophobicContact CH2-CG 4.43Å; W103-L108 HydrophobicContact CZ2-CD2 3.75Å; W103-L108 HydrophobicContact CZ2-CG 4.39Å
104	V	91.7	Very high	92.5	Very high	34 Å²	34	69 Å²	69	21%	0.206	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	107.3	165.6	-174.1	0	0	0	0	106.3	N106 E107 Y109 A114 R117	V104-N106 PolarHBondContact O-N 2.71Å; V104-E107 PolarHBondContact N-O 3.07Å; V104-E107 VanDerWaalsContact N-O 3.15Å; V104-E107 PolarHBondContact O-N 3.41Å; V104-Y109 HydrophobicContact CB-CD2 3.63Å; V104-Y109 HydrophobicContact CB-CE2 3.68Å; V104-Y109 HydrophobicContact CG2-CD2 3.72Å; V104-Y109 HydrophobicContact CG2-CE2 4.27Å; V104-A114 HydrophobicContact CG2-CB 4.2Å; V104-R117 HydrophobicContact CG1-CB 4.04Å; V104-R117 HydrophobicContact CG2-CB 4.46Å
105	G	88	Confident	92.4	Very high	76 Å²	76	72.6 Å²	72.6	78%	0.784	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.5	-117.2	-168.5	0	0	0	0	0	111.6
106	N	87.3	Confident	92.2	Very high	104 Å²	104	75.1 Å²	75.1	56%	0.556	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.9	17.7	-177	-145.5	67.2	0	0	0	112.8	R80 W103 V104	R80-N106 PolarHBondContact NH1-ND2 2.75Å; R80-N106 VanDerWaalsContact NH1-ND2 3.14Å; R80-N106 PolarHBondContact NH2-ND2 3.28Å; R80-N106 PolarHBondContact NH2-OD1 3.34Å; W103-N106 VanDerWaalsContact CZ3-C 3.41Å; W103-N106 WeakPolarHBondContact CZ3-O 3.48Å; V104-N106 PolarHBondContact O-N 2.71Å
107	E	91.8	Very high	91.9	Very high	102 Å²	102	79.5 Å²	79.5	48%	0.477	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	158.1	-178.6	-81.2	174.7	84.6	0	0	112.9	A90 V104 Y109	A90-E107 WeakPolarHBondContact CB-OE1 3.15Å; V104-E107 PolarHBondContact N-O 3.07Å; V104-E107 VanDerWaalsContact N-O 3.15Å; V104-E107 PolarHBondContact O-N 3.41Å; E107-Y109 HydrophobicContact CB-CD2 4.41Å; E107-Y109 HydrophobicContact CB-CE2 3.52Å; E107-Y109 PolarHBondContact OE1-OH 3.48Å
108	L	93.8	Very high	91.6	Very high	5 Å²	5	81.3 Å²	81.3	3%	0.026	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	128.6	-176.2	-63.7	162.8	0	0	0	110.4	I76 Y87 C89 A90 L96 H101 W103	I76-L108 HydrophobicContact CD1-CD1 3.5Å; I76-L108 HydrophobicContact CG1-CD1 4.45Å; I76-L108 HydrophobicContact CG2-CD2 3.86Å; Y87-L108 HydrophobicContact CD2-CD1 4.06Å; Y87-L108 HydrophobicContact CE2-CD1 4.18Å; C89-L108 WeakPolarHBondContact CA-O 3.4Å; A90-L108 PolarHBondContact N-O 3.2Å; L96-L108 HydrophobicContact CD1-CB 3.78Å; H101-L108 HydrophobicContact CB-CD2 3.97Å; H101-L108 WeakPolarHBondContact CD2-CD2 3.26Å; W103-L108 HydrophobicContact CD2-CD2 3.93Å; W103-L108 HydrophobicContact CE3-CD2 4.39Å; W103-L108 HydrophobicContact CG-CD2 4.44Å; W103-L108 HydrophobicContact CH2-CD2 4.23Å; W103-L108 HydrophobicContact CH2-CG 4.43Å; W103-L108 HydrophobicContact CZ2-CD2 3.75Å; W103-L108 HydrophobicContact CZ2-CG 4.39Å
109	Y	95.3	Very high	90.7	Very high	14 Å²	14	77.5 Å²	77.5	6%	0.055	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	152.1	-179.9	-62.1	-77.9	0	0	0	111.4	A90 D91 F102 V104 E107 H113 R117	A90-Y109 HydrophobicContact CB-CD1 4.28Å; A90-Y109 HydrophobicContact CB-CE1 3.67Å; D91-Y109 WeakPolarHBondContact OD2-CD1 3.29Å; D91-Y109 WeakPolarHBondContact OD2-CE1 3.48Å; F102-Y109 PolarHBondContact N-O 2.71Å; F102-Y109 PolarHBondContact O-N 3.47Å; V104-Y109 HydrophobicContact CB-CD2 3.63Å; V104-Y109 HydrophobicContact CB-CE2 3.68Å; V104-Y109 HydrophobicContact CG2-CD2 3.72Å; V104-Y109 HydrophobicContact CG2-CE2 4.27Å; E107-Y109 HydrophobicContact CB-CD2 4.41Å; E107-Y109 HydrophobicContact CB-CE2 3.52Å; E107-Y109 PolarHBondContact OE1-OH 3.48Å; Y109-H113 HydrophobicContact CD1-CB 4.19Å; Y109-R117 VanDerWaalsContact CE1-NH2 3.31Å; Y109-R117 VanDerWaalsContact CZ-CZ 3.49Å
110	C	95.8	Very high	89.3	Confident	10 Å²	10	76.2 Å²	76.2	7%	0.068	38%	0.382	C	S	.	.			trans	-72	161.4	164.7	68.9	0	0	0	0	109.5	C89 L94 L96 K112 H113 A114	C89-C110 HydrophobicContact CB-CB 4.11Å; C89-C110 PolarHBondContact SG-N 2.93Å; L94-C110 HydrophobicContact CD2-CB 4.04Å; L96-C110 HydrophobicContact CD2-CB 3.76Å; C110-K112 VanDerWaalsContact C-N 3.27Å; C110-K112 PolarHBondContact O-N 3.25Å; C110-K112 VanDerWaalsContact O-N 3.16Å; C110-H113 PolarHBondContact O-N 2.97Å; C110-H113 VanDerWaalsContact O-N 3.15Å; C110-H113 PolarHBondContact SG-ND1 2.96Å; C110-A114 WeakPolarHBondContact O-CB 3.15Å; C110-A114 PolarHBondContact O-N 2.97Å
111	E	93.6	Very high	87.6	Confident	97 Å²	97	80.2 Å²	80.2	45%	0.453	40%	0.402	S	S	.	.	H	α-helix	trans	-45.2	-49.1	-179.7	-170.5	-167.5	137.1	0	0	114	F102 A114 R115	F102-E111 HydrophobicContact CD2-CB 4.24Å; F102-E111 HydrophobicContact CE2-CB 3.56Å; F102-E111 HydrophobicContact CE2-CG 3.84Å; F102-E111 HydrophobicContact CZ-CB 4.23Å; F102-E111 HydrophobicContact CZ-CG 3.99Å; E111-A114 PolarHBondContact O-N 3.28Å; E111-R115 VanDerWaalsContact CG-CZ 3.45Å; E111-R115 WeakPolarHBondContact O-CB 3.49Å; E111-R115 WeakPolarHBondContact O-CG 3.39Å; E111-R115 PolarHBondContact O-N 3.1Å; E111-R115 IonicContact OE1-CZ 3.34Å; E111-R115 VanDerWaalsContact OE1-CZ 3.27Å; E111-R115 IonicContact OE1-NE 3.98Å; E111-R115 PolarHBondContact OE1-NE 3.28Å; E111-R115 VanDerWaalsContact OE1-NE 3.14Å; E111-R115 IonicContact OE1-NH2 3.96Å; E111-R115 PolarHBondContact OE1-NH2 3.25Å; E111-R115 IonicContact OE2-NH2 3.14Å
112	K	94.6	Very high	85.8	Confident	137 Å²	137	80.7 Å²	80.7	60%	0.596	42%	0.422	S	S	*	.	H	α-helix	trans	-59.2	-52.8	-179	-172.8	-171.7	-179.9	-164.7	0	111.9	C110 A114 R115 Q116	C110-K112 VanDerWaalsContact C-N 3.27Å; C110-K112 PolarHBondContact O-N 3.25Å; C110-K112 VanDerWaalsContact O-N 3.16Å; K112-A114 VanDerWaalsContact C-N 3.35Å; K112-R115 PolarHBondContact O-N 3.03Å; K112-Q116 VanDerWaalsContact O-CG 3.27Å; K112-Q116 WeakPolarHBondContact O-CG 3.43Å; K112-Q116 PolarHBondContact O-N 3.41Å; K112-Q116 VanDerWaalsContact O-N 3.07Å
113	H	95.5	Very high	83.9	Confident	29 Å²	29	83.2 Å²	83.2	13%	0.134	45%	0.445	C	S	.	.	H	α-helix	trans	-73.4	-28.6	-176.8	-64.9	138.8	0	0	0	112.8	C89 D91 C92 Y109 C110 Q116 R117	C89-H113 PolarHBondContact SG-ND1 2.82Å; C89-H113 VanDerWaalsContact SG-ND1 3.36Å; D91-H113 IonicContact OD2-CG 3.88Å; D91-H113 IonicContact OD2-ND1 2.68Å; C92-H113 PolarHBondContact SG-CE1 2.62Å; Y109-H113 HydrophobicContact CD1-CB 4.19Å; C110-H113 PolarHBondContact O-N 2.97Å; C110-H113 VanDerWaalsContact O-N 3.15Å; C110-H113 PolarHBondContact SG-ND1 2.96Å; H113-Q116 PolarHBondContact CD2-OE1 3.48Å; H113-R117 WeakPolarHBondContact O-CG 3.37Å; H113-R117 PolarHBondContact O-N 2.94Å; H113-R117 PolarHBondContact O-NH1 3.49Å
114	A	94.8	Very high	82.1	Confident	6 Å²	6	88.2 Å²	88.2	5%	0.05	48%	0.475	C	S	.	.	H	α-helix	trans	-67.1	-49.9	172.7	0	0	0	0	0	111.2	F102 V104 C110 E111 K112 Q116 R117 Y118	F102-A114 HydrophobicContact CB-CB 3.3Å; F102-A114 HydrophobicContact CD1-CB 4.4Å; F102-A114 HydrophobicContact CD2-CB 4.08Å; F102-A114 HydrophobicContact CG-CB 3.68Å; V104-A114 HydrophobicContact CG2-CB 4.2Å; C110-A114 WeakPolarHBondContact O-CB 3.15Å; C110-A114 PolarHBondContact O-N 2.97Å; E111-A114 PolarHBondContact O-N 3.28Å; K112-A114 VanDerWaalsContact C-N 3.35Å; A114-Q116 VanDerWaalsContact C-N 3.31Å; A114-Q116 PolarHBondContact O-N 3.09Å; A114-R117 PolarHBondContact O-N 3.48Å; A114-Y118 WeakPolarHBondContact O-CB 3.44Å; A114-Y118 PolarHBondContact O-N 3Å
115	R	92.4	Very high	80.1	Confident	132 Å²	132	93.7 Å²	93.7	50%	0.498	50%	0.503	S	S	.	.	H	α-helix	trans	-59.9	-40.2	176.7	-73.2	-177.2	-146.8	-65.5	3.5	112.5	E111 K112 R117 Y118 S119	E111-R115 VanDerWaalsContact CG-CZ 3.45Å; E111-R115 WeakPolarHBondContact O-CB 3.49Å; E111-R115 WeakPolarHBondContact O-CG 3.39Å; E111-R115 PolarHBondContact O-N 3.1Å; E111-R115 IonicContact OE1-CZ 3.34Å; E111-R115 VanDerWaalsContact OE1-CZ 3.27Å; E111-R115 IonicContact OE1-NE 3.98Å; E111-R115 PolarHBondContact OE1-NE 3.28Å; E111-R115 VanDerWaalsContact OE1-NE 3.14Å; E111-R115 IonicContact OE1-NH2 3.96Å; E111-R115 PolarHBondContact OE1-NH2 3.25Å; E111-R115 IonicContact OE2-NH2 3.14Å; K112-R115 PolarHBondContact O-N 3.03Å; R115-R117 VanDerWaalsContact C-N 3.29Å; R115-R117 PolarHBondContact O-N 3.19Å; R115-Y118 PolarHBondContact O-N 3.24Å; R115-S119 WeakPolarHBondContact O-CB 3.27Å; R115-S119 PolarHBondContact O-N 2.99Å; R115-S119 PolarHBondContact O-OG 3.38Å
116	Q	91.4	Very high	78.3	Confident	109 Å²	109	96.1 Å²	96.1	51%	0.509	51%	0.508	S	S	.	.	H	α-helix	trans	-60.3	-39.7	177.3	-76	173.6	-8.2	0	0	112.1	K112 H113 A114	K112-Q116 VanDerWaalsContact O-CG 3.27Å; K112-Q116 WeakPolarHBondContact O-CG 3.43Å; K112-Q116 PolarHBondContact O-N 3.41Å; K112-Q116 VanDerWaalsContact O-N 3.07Å; H113-Q116 PolarHBondContact CD2-OE1 3.48Å; A114-Q116 VanDerWaalsContact C-N 3.31Å; A114-Q116 PolarHBondContact O-N 3.09Å
117	R	88.8	Confident	76.9	Confident	92 Å²	92	103 Å²	103	35%	0.347	53%	0.527	S	S	.	.	H	α-helix	trans	-74.4	-40.3	175.1	-70.4	-173.3	176.5	79.1	-2.1	112.9	D91 V104 Y109 H113 A114 R115 M120	D91-R117 IonicContact OD1-CZ 3.75Å; D91-R117 IonicContact OD1-NH1 2.61Å; D91-R117 IonicContact OD1-NH2 2.75Å; D91-R117 PolarHBondContact OD1-NH2 3.12Å; D91-R117 IonicContact OD2-CZ 3.22Å; D91-R117 IonicContact OD2-NH1 3.89Å; D91-R117 PolarHBondContact OD2-NH1 3.2Å; D91-R117 IonicContact OD2-NH2 2.91Å; D91-R117 PolarHBondContact OD2-NH2 3.28Å; V104-R117 HydrophobicContact CG1-CB 4.04Å; V104-R117 HydrophobicContact CG2-CB 4.46Å; Y109-R117 VanDerWaalsContact CE1-NH2 3.31Å; Y109-R117 VanDerWaalsContact CZ-CZ 3.49Å; H113-R117 WeakPolarHBondContact O-CG 3.37Å; H113-R117 PolarHBondContact O-N 2.94Å; H113-R117 PolarHBondContact O-NH1 3.49Å; A114-R117 PolarHBondContact O-N 3.48Å; R115-R117 VanDerWaalsContact C-N 3.29Å; R115-R117 PolarHBondContact O-N 3.19Å; R117-M120 PolarHBondContact O-N 3.42Å
118	Y	82.8	Confident	74.7	Confident	180 Å²	180	106.5 Å²	106.5	71%	0.706	57%	0.573	S	S	*	*	H	α-helix	trans	-76.9	-25.5	-176.6	-133	-86.9	0	0	0	113.4	A114 R115 M120 P121	A114-Y118 WeakPolarHBondContact O-CB 3.44Å; A114-Y118 PolarHBondContact O-N 3Å; R115-Y118 PolarHBondContact O-N 3.24Å; Y118-M120 PolarHBondContact O-N 3.45Å; Y118-P121 WeakPolarHBondContact O-CD 3.44Å
119	S	70.1	Confident	73.8	Confident	84 Å²	84	111.6 Å²	111.6	59%	0.587	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.7	1.6	176	-54.3	0	0	0	0	112.8	R115 P121	R115-S119 WeakPolarHBondContact O-CB 3.27Å; R115-S119 PolarHBondContact O-N 2.99Å; R115-S119 PolarHBondContact O-OG 3.38Å; S119-P121 VanDerWaalsContact C-CD 3.47Å
120	M	57.9	Low	72.6	Confident	158 Å²	158	116.7 Å²	116.7	78%	0.778	63%	0.629	S	S	*	*			trans	-96.3	47.4	177.8	-154.2	128.3	-168.9	0	0	113.4	R117 Y118	R117-M120 PolarHBondContact O-N 3.42Å; Y118-M120 PolarHBondContact O-N 3.45Å
121	P	53.7	Low	71.4	Confident	117 Å²	117	122.7 Å²	122.7	76%	0.76	66%	0.66	S	S	*	*	S	Bend	trans	-128.9	91.7	137.7	33.2	-21.2	0	0	0	109.9	Y118 S119	Y118-P121 WeakPolarHBondContact O-CD 3.44Å; S119-P121 VanDerWaalsContact C-CD 3.47Å
122	G	56.5	Low	70	Confident	68 Å²	68	124.2 Å²	124.2	70%	0.701	67%	0.672	S	S	*	*			trans	155.3	7.2	162.5	0	0	0	0	0	121.8	L124	G122-L124 VanDerWaalsContact C-N 3.33Å; G122-L124 PolarHBondContact O-N 2.89Å
123	T	53.3	Low	68.5	Low	135 Å²	135	123.4 Å²	123.4	83%	0.828	68%	0.677	S	S	*	*			trans	-96.7	48.7	175.5	65.7	0	0	0	0	113.5
124	L	54.8	Low	66.7	Low	163 Å²	163	129.7 Å²	129.7	85%	0.853	71%	0.713	S	S	*	*	S	Bend	trans	-114.4	73	158.9	-111.6	152.7	0	0	0	107.5	G122	G122-L124 VanDerWaalsContact C-N 3.33Å; G122-L124 PolarHBondContact O-N 2.89Å
125	N	50.8	Low	64.7	Low	149 Å²	149	138.5 Å²	138.5	80%	0.797	76%	0.76	S	S	*	*			trans	165.5	102.4	143.6	-96.1	12	0	0	0	111.6
126	S	50.5	Low	62.6	Low	128 Å²	128	139 Å²	139	90%	0.895	78%	0.781	S	S	*	*			trans	-165.3	59.3	146.5	5.7	0	0	0	0	109
127	R	57	Low	60.2	Low	249 Å²	249	141.5 Å²	141.5	94%	0.94	80%	0.803	S	S	*	*			trans	-134.4	91.8	157.6	-84.2	-176.9	77.4	-178.2	4	107.5
128	A	46	Very low	57.6	Low	175 Å²	175	146 Å²	146	100%	1.446	85%	0.845	S	S	*	*			trans	-167.8	0	149	0	0	0	0	0	106.9

Retrieved 128 of 128 residues in 56.1 ms (Link to these results)

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