A0A060XJG2_ONCMY Loading...

PDZ domain-containing protein 11

AlphaFold DB (A0A4W5QP73), UniProt , Accession A0A060XJG2, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 142 aa.

						>A0A060XJG2_ONCMY|A0A060XJG2
MDQKIPYDDYQLPVVFLPSYESPPAWIAPQERIHHPDYNNELTQFLPRTIVLKKPPGAQLGFNIRGGKASQLGIFISKVVPDSDAHRAELQEGDQVLSVNEVDFQDIEHSRAVEILKTAREILMRVRFFPYNYQRQKERTVH
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	42	Very low	57	Low	237 Å²	237	160.3 Å²	160.3	100%	1.167	77%	0.771	S	S	*	*				0	99.9	0	-73.4	-174.6	-136.3	0	0	106.1	Q3	M1-Q3 PolarHBondContact O-N 3.22Å
2	D	49.4	Very low	57.7	Low	164 Å²	164	158.4 Å²	158.4	88%	0.877	77%	0.767	S	S	*	*			trans	-62	115.6	-178.7	-64.7	-70.6	0	0	0	110	K4	D2-K4 PolarHBondContact O-N 3.23Å
3	Q	56.5	Low	58.3	Low	187 Å²	187	154.2 Å²	154.2	87%	0.874	76%	0.76	S	S	*	*			trans	-68.7	98.2	172.1	-72.2	179.9	-10.9	0	0	107.4	M1 I5	M1-Q3 PolarHBondContact O-N 3.22Å; Q3-I5 PolarHBondContact O-N 3.12Å; Q3-I5 VanDerWaalsContact O-N 3.09Å
4	K	59.3	Low	58.9	Low	202 Å²	202	151.4 Å²	151.4	88%	0.878	76%	0.756	S	S	*	*			trans	-64.1	107.9	169.1	-99.5	-179.1	172.2	177.2	0	108	D2	D2-K4 PolarHBondContact O-N 3.23Å
5	I	60.1	Low	59.5	Low	99 Å²	99	148.7 Å²	148.7	51%	0.508	75%	0.75	S	S	.	*			trans	-61.3	128.3	170.3	-48.9	172.4	0	0	0	107.2	Q3 D9	Q3-I5 PolarHBondContact O-N 3.12Å; Q3-I5 VanDerWaalsContact O-N 3.09Å; I5-D9 HydrophobicContact CG2-CB 3.77Å
6	P	61.3	Low	60.6	Low	85 Å²	85	150.8 Å²	150.8	55%	0.552	75%	0.753	S	S	*	*			trans	-55.2	145.4	176.5	-22.8	32.2	0	0	0	111.6	D8 D9	P6-D8 PolarHBondContact O-N 2.88Å; P6-D9 PolarHBondContact O-N 2.97Å; P6-D9 VanDerWaalsContact O-N 3.1Å
7	Y	58.1	Low	61.3	Low	199 Å²	199	150.6 Å²	150.6	78%	0.78	75%	0.754	S	S	*	*	G	3₁₀ helix	trans	-59.1	-20.8	-176	-160.5	-92.9	0	0	0	113.7	Y10	Y7-Y10 WeakPolarHBondContact O-CD2 3.32Å
8	D	60	Low	62	Low	151 Å²	151	148.7 Å²	148.7	81%	0.807	75%	0.754	S	S	*	*	G	3₁₀ helix	trans	-83.4	-13.4	-178.2	-62.5	-32.2	0	0	0	113.9	P6	P6-D8 PolarHBondContact O-N 2.88Å
9	D	57.7	Low	63	Low	124 Å²	124	146.7 Å²	146.7	66%	0.663	76%	0.755	S	S	*	*	G	3₁₀ helix	trans	-91.9	-0.7	178.8	-113.5	-3.2	0	0	0	112.9	I5 P6 Q11	I5-D9 HydrophobicContact CG2-CB 3.77Å; P6-D9 PolarHBondContact O-N 2.97Å; P6-D9 VanDerWaalsContact O-N 3.1Å; D9-Q11 PolarHBondContact O-N 3.21Å
10	Y	58.9	Low	63.8	Low	127 Å²	127	149 Å²	149	50%	0.498	76%	0.755	S	S	.	*			trans	-76.6	80.9	166	-60	-81.2	0	0	0	108.4	Y7 L12	Y7-Y10 WeakPolarHBondContact O-CD2 3.32Å; Y10-L12 PolarHBondContact O-N 2.74Å
11	Q	64.1	Low	64.6	Low	188 Å²	188	150.2 Å²	150.2	88%	0.879	76%	0.758	S	S	*	*			trans	-64.5	78.2	158.1	-83.8	-178.9	-18.5	0	0	108	D9	D9-Q11 PolarHBondContact O-N 3.21Å
12	L	64.6	Low	66.6	Low	138 Å²	138	143.6 Å²	143.6	72%	0.723	74%	0.735	S	S	*	*			trans	-58.1	125.3	166.7	-71.2	169.7	0	0	0	105.9	Y10 V14	Y10-L12 PolarHBondContact O-N 2.74Å; L12-V14 PolarHBondContact O-N 3.47Å; L12-V14 VanDerWaalsContact O-N 3.1Å
13	P	65.3	Low	68.1	Low	103 Å²	103	140.1 Å²	140.1	67%	0.669	72%	0.722	S	S	*	*			trans	-52.6	127.4	172.5	21	-30	0	0	0	107	V15	P13-V15 HydrophobicContact CG-CG2 4.46Å; P13-V15 WeakPolarHBondContact O-CG2 3.4Å; P13-V15 PolarHBondContact O-N 3.17Å
14	V	67.8	Low	69.1	Low	116 Å²	116	137 Å²	137	70%	0.703	72%	0.718	S	S	*	*			trans	-66.8	92.7	177.8	-179.5	0	0	0	0	106.7	L12 F16	L12-V14 PolarHBondContact O-N 3.47Å; L12-V14 VanDerWaalsContact O-N 3.1Å; V14-F16 HydrophobicContact CB-CE2 4.44Å; V14-F16 HydrophobicContact CG1-CD2 4.19Å; V14-F16 HydrophobicContact CG1-CE1 4.39Å; V14-F16 HydrophobicContact CG1-CE2 3.67Å; V14-F16 HydrophobicContact CG1-CZ 3.79Å; V14-F16 PolarHBondContact O-N 2.73Å
15	V	67.2	Low	70.3	Confident	110 Å²	110	131.2 Å²	131.2	67%	0.667	71%	0.707	S	S	*	*			trans	-82.1	104.3	176.9	-174.2	0	0	0	0	106.9	P13 L17	P13-V15 HydrophobicContact CG-CG2 4.46Å; P13-V15 WeakPolarHBondContact O-CG2 3.4Å; P13-V15 PolarHBondContact O-N 3.17Å; V15-L17 PolarHBondContact O-N 2.98Å; V15-L17 VanDerWaalsContact O-N 3.15Å
16	F	77.5	Confident	71.4	Confident	182 Å²	182	135.5 Å²	135.5	80%	0.798	72%	0.717	S	S	*	*			trans	-70.7	108.2	167.7	-69.5	-83.6	0	0	0	108.1	V14	V14-F16 HydrophobicContact CB-CE2 4.44Å; V14-F16 HydrophobicContact CG1-CD2 4.19Å; V14-F16 HydrophobicContact CG1-CE1 4.39Å; V14-F16 HydrophobicContact CG1-CE2 3.67Å; V14-F16 HydrophobicContact CG1-CZ 3.79Å; V14-F16 PolarHBondContact O-N 2.73Å
17	L	72.1	Confident	72.5	Confident	148 Å²	148	132.6 Å²	132.6	78%	0.775	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-63.2	142.6	168.3	-66.8	175.9	0	0	0	108.6	V15	V15-L17 PolarHBondContact O-N 2.98Å; V15-L17 VanDerWaalsContact O-N 3.15Å
18	P	73.9	Confident	73.9	Confident	117 Å²	117	123.9 Å²	123.9	76%	0.76	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-56.6	149.2	169.9	26	-33.1	0	0	0	109.3	Y20	P18-Y20 PolarHBondContact O-N 3.09Å
19	S	80.6	Confident	75.1	Confident	111 Å²	111	120.2 Å²	120.2	78%	0.776	65%	0.65	S	S	*	*	P	Polyproline II helix	trans	-51.4	133.7	173.2	-56.1	0	0	0	0	109.7	E21	S19-E21 PolarHBondContact O-N 2.79Å; S19-E21 VanDerWaalsContact O-N 3.14Å
20	Y	80.1	Confident	76.5	Confident	191 Å²	191	122 Å²	122	75%	0.749	66%	0.655	S	S	*	*	P	Polyproline II helix	trans	-61.3	119.1	176.4	178.5	-96.4	0	0	0	109.8	P18 P23	P18-Y20 PolarHBondContact O-N 3.09Å; Y20-P23 WeakPolarHBondContact OH-CD 3.47Å
21	E	81.1	Confident	77.7	Confident	175 Å²	175	121.7 Å²	121.7	82%	0.818	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-92.5	124.7	169	-71	-178.1	-179.5	0	0	108.6	S19	S19-E21 PolarHBondContact O-N 2.79Å; S19-E21 VanDerWaalsContact O-N 3.14Å
22	S	83.7	Confident	78.7	Confident	98 Å²	98	116.3 Å²	116.3	69%	0.685	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-58.1	137	172.8	-67	0	0	0	0	109.7
23	P	80.9	Confident	79.4	Confident	92 Å²	92	116 Å²	116	60%	0.597	63%	0.627	S	S	*	*	P	Polyproline II helix	trans	-59.3	147.1	175.9	26	-33.8	0	0	0	109.6	Y20 A25	Y20-P23 WeakPolarHBondContact OH-CD 3.47Å; P23-A25 PolarHBondContact O-N 2.84Å
24	P	77.8	Confident	79.9	Confident	122 Å²	122	119.2 Å²	119.2	79%	0.792	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-55.1	144	174.3	22.1	-31	0	0	0	109.9	W26	P24-W26 PolarHBondContact O-N 3.44Å
25	A	83.4	Confident	80.4	Confident	79 Å²	79	116 Å²	116	65%	0.653	61%	0.61	S	S	*	*	P	Polyproline II helix	trans	-56.4	138.6	-179.2	0	0	0	0	0	110.5	P23 I27	P23-A25 PolarHBondContact O-N 2.84Å; A25-I27 PolarHBondContact O-N 2.91Å
26	W	83.8	Confident	80.8	Confident	190 Å²	190	115.4 Å²	115.4	72%	0.72	61%	0.609	S	S	*	*	P	Polyproline II helix	trans	-66.7	127.2	173.6	-178.2	91.6	0	0	0	109.4	P24 A28	P24-W26 PolarHBondContact O-N 3.44Å; W26-A28 VanDerWaalsContact CH2-CA 3.5Å; W26-A28 HydrophobicContact CH2-CB 3.82Å; W26-A28 HydrophobicContact CZ3-CB 3.68Å
27	I	83.6	Confident	80.6	Confident	24 Å²	24	113 Å²	113	12%	0.123	60%	0.604	C	S	.	*			trans	-109.3	133.3	179	-67.4	150.4	0	0	0	108.5	A25 E31 R32 H35 Y38	A25-I27 PolarHBondContact O-N 2.91Å; I27-E31 HydrophobicContact CG2-CB 3.87Å; I27-R32 HydrophobicContact CB-CG 4.39Å; I27-R32 HydrophobicContact CG2-CG 3.85Å; I27-R32 VanDerWaalsContact O-CZ 3.29Å; I27-R32 PolarHBondContact O-NE 3.36Å; I27-R32 PolarHBondContact O-NH2 3.41Å; I27-H35 VanDerWaalsContact CD1-CE1 3.5Å; I27-H35 WeakPolarHBondContact CD1-CE1 3.38Å; I27-H35 VanDerWaalsContact CD1-NE2 3.31Å; I27-H35 WeakPolarHBondContact CD1-NE2 3.23Å; I27-Y38 HydrophobicContact CB-CE2 4.04Å; I27-Y38 HydrophobicContact CD1-CD2 4.24Å; I27-Y38 HydrophobicContact CD1-CE2 3.46Å; I27-Y38 VanDerWaalsContact CD1-CE2 3.46Å; I27-Y38 HydrophobicContact CG1-CE2 4.35Å; I27-Y38 HydrophobicContact CG2-CE2 4.44Å
28	A	88.5	Confident	80.6	Confident	16 Å²	16	110.2 Å²	110.2	13%	0.132	58%	0.584	C	S	.	*			trans	-67	143.5	-176.9	0	0	0	0	0	111.2	W26 Q30 E31 R32	W26-A28 VanDerWaalsContact CH2-CA 3.5Å; W26-A28 HydrophobicContact CH2-CB 3.82Å; W26-A28 HydrophobicContact CZ3-CB 3.68Å; A28-Q30 PolarHBondContact O-N 2.88Å; A28-E31 HydrophobicContact CB-CG 4.33Å; A28-E31 PolarHBondContact N-OE2 3.06Å; A28-E31 PolarHBondContact O-N 3.36Å; A28-R32 WeakPolarHBondContact O-CG 3.31Å; A28-R32 PolarHBondContact O-N 2.86Å; A28-R32 VanDerWaalsContact O-N 3.09Å
29	P	85.3	Confident	80.4	Confident	74 Å²	74	108.3 Å²	108.3	48%	0.481	57%	0.567	S	S	.	*	H	α-helix	trans	-53.2	-31.8	-176.9	-28.5	35.1	0	0	0	115.3
30	Q	87.3	Confident	80	Confident	161 Å²	161	110 Å²	110	75%	0.752	57%	0.567	S	S	*	*	H	α-helix	trans	-68.9	-35	177.9	-63.7	147.8	-8	0	0	112.1	A28	A28-Q30 PolarHBondContact O-N 2.88Å
31	E	84.2	Confident	79.7	Confident	121 Å²	121	106.6 Å²	106.6	57%	0.565	56%	0.558	S	S	*	*	H	α-helix	trans	-81.3	-27.2	179.9	-62.4	172.7	152.4	0	0	111.4	I27 A28 I33 H34 H35	I27-E31 HydrophobicContact CG2-CB 3.87Å; A28-E31 HydrophobicContact CB-CG 4.33Å; A28-E31 PolarHBondContact N-OE2 3.06Å; A28-E31 PolarHBondContact O-N 3.36Å; E31-I33 VanDerWaalsContact C-N 3.25Å; E31-I33 PolarHBondContact O-N 3.03Å; E31-H34 PolarHBondContact O-N 2.98Å; E31-H35 WeakPolarHBondContact O-CB 3.37Å; E31-H35 PolarHBondContact O-N 2.78Å; E31-H35 VanDerWaalsContact O-N 3.11Å
32	R	84.5	Confident	79.4	Confident	75 Å²	75	103.5 Å²	103.5	28%	0.283	55%	0.547	S	S	.	.	H	α-helix	trans	-57.6	-35.4	178.3	-68.1	178.1	-162.1	171.6	1.7	113.1	I27 A28 H34 H35 Y38	I27-R32 HydrophobicContact CB-CG 4.39Å; I27-R32 HydrophobicContact CG2-CG 3.85Å; I27-R32 VanDerWaalsContact O-CZ 3.29Å; I27-R32 PolarHBondContact O-NE 3.36Å; I27-R32 PolarHBondContact O-NH2 3.41Å; A28-R32 WeakPolarHBondContact O-CG 3.31Å; A28-R32 PolarHBondContact O-N 2.86Å; A28-R32 VanDerWaalsContact O-N 3.09Å; R32-H34 PolarHBondContact O-N 3.34Å; R32-H34 VanDerWaalsContact O-N 3.15Å; R32-H35 PolarHBondContact O-N 3.29Å; R32-Y38 HydrophobicContact CB-CD1 4.03Å; R32-Y38 HydrophobicContact CB-CD2 4.4Å; R32-Y38 HydrophobicContact CB-CG 3.82Å; R32-Y38 HydrophobicContact CG-CD1 3.65Å; R32-Y38 HydrophobicContact CG-CD2 4.01Å; R32-Y38 HydrophobicContact CG-CE1 3.88Å; R32-Y38 HydrophobicContact CG-CE2 4.27Å; R32-Y38 HydrophobicContact CG-CG 3.7Å; R32-Y38 VanDerWaalsContact O-CB 3.3Å; R32-Y38 WeakPolarHBondContact O-CB 3.37Å
33	I	78.3	Confident	79.2	Confident	131 Å²	131	103.2 Å²	103.2	67%	0.672	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-31	-175.8	-58.6	172.4	0	0	0	111.5	E31	E31-I33 VanDerWaalsContact C-N 3.25Å; E31-I33 PolarHBondContact O-N 3.03Å
34	H	77.6	Confident	79.1	Confident	170 Å²	170	103.1 Å²	103.1	79%	0.787	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.8	2.3	178.4	-56	-55.4	0	0	0	112.9	E31 R32	E31-H34 PolarHBondContact O-N 2.98Å; R32-H34 PolarHBondContact O-N 3.34Å; R32-H34 VanDerWaalsContact O-N 3.15Å
35	H	77.4	Confident	79.3	Confident	50 Å²	50	100.6 Å²	100.6	23%	0.231	51%	0.509	C	S	.	.			trans	-80.7	129.4	-177.3	-162.3	-79.3	0	0	0	110	I27 E31 R32 D37 Y38 N39	I27-H35 VanDerWaalsContact CD1-CE1 3.5Å; I27-H35 WeakPolarHBondContact CD1-CE1 3.38Å; I27-H35 VanDerWaalsContact CD1-NE2 3.31Å; I27-H35 WeakPolarHBondContact CD1-NE2 3.23Å; E31-H35 WeakPolarHBondContact O-CB 3.37Å; E31-H35 PolarHBondContact O-N 2.78Å; E31-H35 VanDerWaalsContact O-N 3.11Å; R32-H35 PolarHBondContact O-N 3.29Å; H35-D37 IonicContact CE1-OD2 3.22Å; H35-D37 PolarHBondContact CE1-OD2 3.14Å; H35-D37 VanDerWaalsContact CE1-OD2 3.22Å; H35-D37 WeakPolarHBondContact ND1-CB 3.47Å; H35-D37 PolarHBondContact ND1-N 2.95Å; H35-D37 VanDerWaalsContact ND1-N 3.16Å; H35-D37 IonicContact ND1-OD2 3.8Å; H35-D37 PolarHBondContact O-N 3.33Å; H35-Y38 HydrophobicContact CB-CD2 3.94Å; H35-Y38 AromaticContact CG-CD2 3.9Å; H35-Y38 AromaticContact ND1-CD2 3.7Å; H35-Y38 CarbonylContact O-C 3.6Å; H35-Y38 PolarHBondContact O-N 2.94Å; H35-N39 PolarHBondContact O-N 3.46Å
36	P	76.1	Confident	79.6	Confident	97 Å²	97	101.8 Å²	101.8	63%	0.63	50%	0.504	S	S	*	.	G	3₁₀ helix	trans	-57.2	-38	-178.6	22.1	-33	0	0	0	112.4	Y38 N39	P36-Y38 VanDerWaalsContact C-N 3.25Å; P36-Y38 PolarHBondContact O-N 3.32Å; P36-N39 PolarHBondContact O-N 3.25Å
37	D	73.2	Confident	80	Confident	130 Å²	130	95.1 Å²	95.1	70%	0.695	49%	0.485	S	S	*	.	G	3₁₀ helix	trans	-73.5	-11.5	179.4	-55	-15.2	0	0	0	114.6	H35	H35-D37 IonicContact CE1-OD2 3.22Å; H35-D37 PolarHBondContact CE1-OD2 3.14Å; H35-D37 VanDerWaalsContact CE1-OD2 3.22Å; H35-D37 WeakPolarHBondContact ND1-CB 3.47Å; H35-D37 PolarHBondContact ND1-N 2.95Å; H35-D37 VanDerWaalsContact ND1-N 3.16Å; H35-D37 IonicContact ND1-OD2 3.8Å; H35-D37 PolarHBondContact O-N 3.33Å
38	Y	70.6	Confident	80.5	Confident	90 Å²	90	97 Å²	97	35%	0.353	49%	0.491	S	S	.	.	G	3₁₀ helix	trans	-116.1	13.7	179.5	-69.1	-97	0	0	0	112.4	I27 R32 H35 P36 N40	I27-Y38 HydrophobicContact CB-CE2 4.04Å; I27-Y38 HydrophobicContact CD1-CD2 4.24Å; I27-Y38 HydrophobicContact CD1-CE2 3.46Å; I27-Y38 VanDerWaalsContact CD1-CE2 3.46Å; I27-Y38 HydrophobicContact CG1-CE2 4.35Å; I27-Y38 HydrophobicContact CG2-CE2 4.44Å; R32-Y38 HydrophobicContact CB-CD1 4.03Å; R32-Y38 HydrophobicContact CB-CD2 4.4Å; R32-Y38 HydrophobicContact CB-CG 3.82Å; R32-Y38 HydrophobicContact CG-CD1 3.65Å; R32-Y38 HydrophobicContact CG-CD2 4.01Å; R32-Y38 HydrophobicContact CG-CE1 3.88Å; R32-Y38 HydrophobicContact CG-CE2 4.27Å; R32-Y38 HydrophobicContact CG-CG 3.7Å; R32-Y38 VanDerWaalsContact O-CB 3.3Å; R32-Y38 WeakPolarHBondContact O-CB 3.37Å; H35-Y38 HydrophobicContact CB-CD2 3.94Å; H35-Y38 AromaticContact CG-CD2 3.9Å; H35-Y38 AromaticContact ND1-CD2 3.7Å; H35-Y38 CarbonylContact O-C 3.6Å; H35-Y38 PolarHBondContact O-N 2.94Å; P36-Y38 VanDerWaalsContact C-N 3.25Å; P36-Y38 PolarHBondContact O-N 3.32Å; Y38-N40 PolarHBondContact O-N 3.4Å
39	N	71.1	Confident	80.7	Confident	77 Å²	77	100.1 Å²	100.1	41%	0.412	51%	0.509	S	S	.	.			trans	-66.7	129.3	169.4	125.2	15.1	0	0	0	108.2	H35 P36 E41	H35-N39 PolarHBondContact O-N 3.46Å; P36-N39 PolarHBondContact O-N 3.25Å; N39-E41 VanDerWaalsContact C-N 3.32Å; N39-E41 WeakPolarHBondContact OD1-CA 3.35Å; N39-E41 WeakPolarHBondContact OD1-CB 3.39Å; N39-E41 PolarHBondContact OD1-N 3.03Å
40	N	71.7	Confident	81.1	Confident	146 Å²	146	97.2 Å²	97.2	78%	0.781	49%	0.489	S	S	*	.			trans	-92.9	10.9	175.2	-71	-38.8	0	0	0	112.5	Y38 L42	Y38-N40 PolarHBondContact O-N 3.4Å; N40-L42 PolarHBondContact O-N 3.37Å
41	E	73.6	Confident	81.3	Confident	121 Å²	121	93 Å²	93	57%	0.565	47%	0.474	S	S	*	.			trans	-72.2	71.7	174.3	-58.8	-61.8	151.3	0	0	110	N39 T43	N39-E41 VanDerWaalsContact C-N 3.32Å; N39-E41 WeakPolarHBondContact OD1-CA 3.35Å; N39-E41 WeakPolarHBondContact OD1-CB 3.39Å; N39-E41 PolarHBondContact OD1-N 3.03Å; E41-T43 PolarHBondContact O-N 3.07Å
42	L	75.1	Confident	81.7	Confident	110 Å²	110	87.5 Å²	87.5	58%	0.576	45%	0.448	S	S	*	.	G	3₁₀ helix	trans	-72	-2.6	175.1	-61.2	176.6	0	0	0	112.6	N40 Q44 F45 L46	N40-L42 PolarHBondContact O-N 3.37Å; L42-Q44 PolarHBondContact O-N 2.96Å; L42-F45 HydrophobicContact CD2-CD2 4Å; L42-F45 HydrophobicContact CD2-CE2 4.27Å; L42-F45 WeakPolarHBondContact O-CA 3.38Å; L42-F45 WeakPolarHBondContact O-CB 3.21Å; L42-F45 PolarHBondContact O-N 3.2Å; L42-L46 PolarHBondContact O-N 3.09Å
43	T	79.8	Confident	81.8	Confident	91 Å²	91	91 Å²	91	56%	0.558	47%	0.465	S	S	*	.	G	3₁₀ helix	trans	-53.9	-36.5	178.8	49.2	0	0	0	0	112	E41 F45 L46	E41-T43 PolarHBondContact O-N 3.07Å; T43-F45 PolarHBondContact O-N 2.85Å; T43-L46 HydrophobicContact CG2-CD1 4.48Å; T43-L46 WeakPolarHBondContact O-CB 3.35Å; T43-L46 PolarHBondContact O-N 2.96Å; T43-L46 VanDerWaalsContact O-N 3.1Å
44	Q	77.8	Confident	81.9	Confident	91 Å²	91	87.6 Å²	87.6	43%	0.425	45%	0.446	S	S	.	.	G	3₁₀ helix	trans	-63.1	-23.9	176	69.1	176.7	46	0	0	114	L42 F128	L42-Q44 PolarHBondContact O-N 2.96Å; Q44-F128 WeakPolarHBondContact O-CB 3.13Å
45	F	82.7	Confident	81.9	Confident	68 Å²	68	82 Å²	82	30%	0.298	43%	0.425	S	S	.	.	G	3₁₀ helix	trans	-98	-2.4	178.5	-55.4	-69.4	0	0	0	112.6	L42 T43 R127 F128	L42-F45 HydrophobicContact CD2-CD2 4Å; L42-F45 HydrophobicContact CD2-CE2 4.27Å; L42-F45 WeakPolarHBondContact O-CA 3.38Å; L42-F45 WeakPolarHBondContact O-CB 3.21Å; L42-F45 PolarHBondContact O-N 3.2Å; T43-F45 PolarHBondContact O-N 2.85Å; F45-R127 WeakPolarHBondContact O-CD 3.49Å; F45-R127 WeakPolarHBondContact O-CG 3.45Å; F45-F128 HydrophobicContact CD1-CD1 4.16Å; F45-F128 HydrophobicContact CE1-CD1 4.05Å; F45-F128 HydrophobicContact CE1-CE1 4.36Å
46	L	89.1	Confident	81.6	Confident	105 Å²	105	86.1 Å²	86.1	55%	0.55	46%	0.456	S	S	.	.	S	Bend	trans	-73.2	148.5	174.6	-64.8	-179.7	0	0	0	110	L42 T43 R48	L42-L46 PolarHBondContact O-N 3.09Å; T43-L46 HydrophobicContact CG2-CD1 4.48Å; T43-L46 WeakPolarHBondContact O-CB 3.35Å; T43-L46 PolarHBondContact O-N 2.96Å; T43-L46 VanDerWaalsContact O-N 3.1Å; L46-R48 PolarHBondContact O-N 3.29Å
47	P	92.3	Very high	81.4	Confident	50 Å²	50	85.8 Å²	85.8	33%	0.325	47%	0.47	S	S	.	.			trans	-59.7	128.2	171.8	-24	34.5	0	0	0	111.2	L97 R125 V126	P47-L97 HydrophobicContact CB-CD1 3.9Å; P47-L97 HydrophobicContact CG-CD1 3.96Å; P47-R125 HydrophobicContact CB-CG 4.17Å; P47-V126 CarbonylContact C-O 3.37Å; P47-V126 VanDerWaalsContact CA-O 3.28Å; P47-V126 WeakPolarHBondContact CA-O 3.35Å
48	R	93.6	Very high	81.4	Confident	63 Å²	63	81.2 Å²	81.2	24%	0.238	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	153.3	173.1	62.2	179.8	174.2	-129.2	1.2	110.4	L46 I50 E89 D94 R125 V126	L46-R48 PolarHBondContact O-N 3.29Å; R48-I50 HydrophobicContact CG-CG2 4.45Å; R48-E89 PolarHBondContact NH2-O 2.95Å; R48-D94 IonicContact CZ-OD1 3.17Å; R48-D94 IonicContact CZ-OD2 3.47Å; R48-D94 VanDerWaalsContact NH2-CG 3.26Å; R48-D94 IonicContact NH2-OD1 3.04Å; R48-D94 PolarHBondContact NH2-OD1 3Å; R48-D94 IonicContact NH2-OD2 2.73Å; R48-D94 PolarHBondContact NH2-OD2 3.24Å; R48-R125 CarbonylContact O-C 3.5Å; R48-R125 WeakPolarHBondContact O-CA 3.17Å; R48-V126 HydrophobicContact CG-CG2 3.59Å; R48-V126 PolarHBondContact N-O 2.8Å; R48-V126 PolarHBondContact O-N 2.81Å
49	T	94.1	Very high	82	Confident	82 Å²	82	85.2 Å²	85.2	50%	0.503	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	129.6	174.6	-64.4	0	0	0	0	108.7	L123 M124	T49-L123 HydrophobicContact CG2-CD1 3.38Å; T49-L123 HydrophobicContact CG2-CG 4.18Å; T49-M124 WeakPolarHBondContact CA-O 3.48Å
50	I	93.3	Very high	82.6	Confident	12 Å²	12	83.2 Å²	83.2	6%	0.062	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	147.8	175.2	67	164.4	0	0	0	109.9	R48 L52 A88 L90 M124 V126	R48-I50 HydrophobicContact CG-CG2 4.45Å; I50-L52 HydrophobicContact CD1-CG 4.48Å; I50-A88 WeakPolarHBondContact CG2-O 3.45Å; I50-L90 HydrophobicContact CD1-CB 3.88Å; I50-L90 HydrophobicContact CD1-CD1 3.64Å; I50-L90 HydrophobicContact CD1-CD2 4.32Å; I50-L90 HydrophobicContact CD1-CG 4.14Å; I50-M124 HydrophobicContact CD1-CG 3.73Å; I50-M124 HydrophobicContact CD1-SD 3.57Å; I50-M124 VanDerWaalsContact CD1-SD 3.57Å; I50-M124 HydrophobicContact CG1-CG 3.21Å; I50-M124 HydrophobicContact CG1-SD 3.81Å; I50-M124 PolarHBondContact N-O 3.08Å; I50-M124 PolarHBondContact O-N 3.43Å; I50-V126 HydrophobicContact CG1-CG2 4.42Å; I50-V126 HydrophobicContact CG2-CG2 4.35Å
51	V	92.3	Very high	83.4	Confident	72 Å²	72	76.7 Å²	76.7	44%	0.436	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	118.7	-179.5	-177	0	0	0	0	108	E121 L123	V51-E121 HydrophobicContact CG1-CG 4.24Å; V51-L123 HydrophobicContact CG2-CD1 3.63Å
52	L	90.9	Very high	84.3	Confident	7 Å²	7	71.7 Å²	71.7	4%	0.037	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	129.4	173.9	-54.1	177.6	0	0	0	109.5	I50 F62 A85 A88 E121 I122 M124	I50-L52 HydrophobicContact CD1-CG 4.48Å; L52-F62 HydrophobicContact CD1-CD1 4.25Å; L52-F62 HydrophobicContact CD1-CE1 3.58Å; L52-F62 HydrophobicContact CD1-CZ 4.41Å; L52-A85 HydrophobicContact CD1-CB 4.37Å; L52-A85 HydrophobicContact CD2-CB 4.45Å; L52-A88 HydrophobicContact CD2-CB 3.35Å; L52-E121 WeakPolarHBondContact O-CA 3.47Å; L52-I122 HydrophobicContact CB-CB 4.22Å; L52-I122 PolarHBondContact N-O 2.96Å; L52-I122 PolarHBondContact O-N 2.77Å; L52-M124 HydrophobicContact CD1-CE 3.53Å; L52-M124 HydrophobicContact CD1-SD 4.48Å; L52-M124 HydrophobicContact CG-CE 4.34Å
53	K	87	Confident	85.1	Confident	147 Å²	147	70.8 Å²	70.8	64%	0.639	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.9	120.7	170.1	-67.9	-179.2	-179.9	179.3	0	107.5	P55	K53-P55 VanDerWaalsContact O-CD 3.27Å; K53-P55 WeakPolarHBondContact O-CD 3.48Å
54	K	81.4	Confident	85.7	Confident	61 Å²	61	67.9 Å²	67.9	27%	0.265	38%	0.381	S	S	.	.			trans	-87	112.9	178.1	-178.2	-179.9	176	170.4	0	109.3	L60 K117 A119 R120	K54-L60 HydrophobicContact CD-CD2 3.96Å; K54-L60 HydrophobicContact CG-CD2 4.28Å; K54-K117 PolarHBondContact NZ-O 2.87Å; K54-A119 WeakPolarHBondContact CD-O 3.48Å; K54-R120 WeakPolarHBondContact CB-O 3.24Å; K54-R120 PolarHBondContact N-O 2.81Å
55	P	76.1	Confident	86.3	Confident	52 Å²	52	65.5 Å²	65.5	34%	0.338	37%	0.368	S	S	.	.			trans	-63.3	147.6	172.4	-12	23	0	0	0	110.9	K53 G57 A58	K53-P55 VanDerWaalsContact O-CD 3.27Å; K53-P55 WeakPolarHBondContact O-CD 3.48Å; P55-G57 PolarHBondContact O-N 2.86Å; P55-A58 HydrophobicContact CB-CB 3.69Å; P55-A58 HydrophobicContact CG-CB 3.66Å; P55-A58 PolarHBondContact O-N 2.93Å; P55-A58 VanDerWaalsContact O-N 3.1Å
56	P	72.9	Confident	86.6	Confident	137 Å²	137	62.8 Å²	62.8	89%	0.89	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	121.8	174.3	-20.2	30.8	0	0	0	110.8	A58	P56-A58 VanDerWaalsContact C-N 3.3Å; P56-A58 PolarHBondContact O-N 2.88Å
57	G	70.3	Confident	86.5	Confident	89 Å²	89	57.9 Å²	57.9	92%	0.918	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.9	-2.7	179.5	0	0	0	0	0	115.9	P55	P55-G57 PolarHBondContact O-N 2.86Å
58	A	74.6	Confident	86.2	Confident	35 Å²	35	60 Å²	60	29%	0.289	34%	0.338	S	S	.	.			trans	-88.1	151.7	178	0	0	0	0	0	112.7	P55 P56	P55-A58 HydrophobicContact CB-CB 3.69Å; P55-A58 HydrophobicContact CG-CB 3.66Å; P55-A58 PolarHBondContact O-N 2.93Å; P55-A58 VanDerWaalsContact O-N 3.1Å; P56-A58 VanDerWaalsContact C-N 3.3Å; P56-A58 PolarHBondContact O-N 2.88Å
59	Q	81.7	Confident	85.5	Confident	173 Å²	173	61.3 Å²	61.3	81%	0.808	36%	0.362	S	S	*	.			trans	-76.5	155.9	170.7	-62.9	-179	2.8	0	0	110.1	G61	Q59-G61 PolarHBondContact O-N 2.84Å
60	L	83.8	Confident	84.7	Confident	36 Å²	36	60.1 Å²	60.1	19%	0.188	36%	0.357	C	S	.	.			trans	-66.3	-19.2	-179.8	-65.3	173.8	0	0	0	113.5	K54 F62 L116 I122	K54-L60 HydrophobicContact CD-CD2 3.96Å; K54-L60 HydrophobicContact CG-CD2 4.28Å; L60-F62 VanDerWaalsContact C-N 3.3Å; L60-F62 HydrophobicContact CB-CD1 3.91Å; L60-F62 HydrophobicContact CB-CE1 3.64Å; L60-F62 HydrophobicContact CB-CZ 4.22Å; L60-F62 HydrophobicContact CD1-CE1 4.37Å; L60-F62 HydrophobicContact CD1-CZ 4.15Å; L60-F62 HydrophobicContact CG-CE1 4.44Å; L60-F62 WeakPolarHBondContact O-CD1 3.28Å; L60-F62 PolarHBondContact O-N 2.84Å; L60-L116 HydrophobicContact CD1-CB 3.83Å; L60-I122 HydrophobicContact CD2-CD1 3.42Å; L60-I122 VanDerWaalsContact CD2-CD1 3.42Å
61	G	88.8	Confident	83.9	Confident	8 Å²	8	67.8 Å²	67.8	8%	0.082	39%	0.393	C	S	.	.	S	Bend	trans	77.7	12.4	179.9	0	0	0	0	0	114.2	Q59 V80 S83	Q59-G61 PolarHBondContact O-N 2.84Å; G61-V80 WeakPolarHBondContact O-CB 3.5Å; G61-V80 WeakPolarHBondContact O-CG2 3.43Å; G61-V80 PolarHBondContact O-N 2.88Å; G61-S83 PolarHBondContact O-OG 3.34Å
62	F	93.1	Very high	83.2	Confident	16 Å²	16	66.2 Å²	66.2	7%	0.07	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	158.8	172.5	65.4	-88.2	0	0	0	111.6	L52 L60 I64 I76 K78 V79 A85 L90 L116 M124	L52-F62 HydrophobicContact CD1-CD1 4.25Å; L52-F62 HydrophobicContact CD1-CE1 3.58Å; L52-F62 HydrophobicContact CD1-CZ 4.41Å; L60-F62 VanDerWaalsContact C-N 3.3Å; L60-F62 HydrophobicContact CB-CD1 3.91Å; L60-F62 HydrophobicContact CB-CE1 3.64Å; L60-F62 HydrophobicContact CB-CZ 4.22Å; L60-F62 HydrophobicContact CD1-CE1 4.37Å; L60-F62 HydrophobicContact CD1-CZ 4.15Å; L60-F62 HydrophobicContact CG-CE1 4.44Å; L60-F62 WeakPolarHBondContact O-CD1 3.28Å; L60-F62 PolarHBondContact O-N 2.84Å; F62-I64 HydrophobicContact CD2-CG2 3.85Å; F62-I64 HydrophobicContact CE2-CG2 3.6Å; F62-I76 HydrophobicContact CB-CG2 4.32Å; F62-I76 HydrophobicContact CD2-CD1 3.67Å; F62-I76 HydrophobicContact CE2-CD1 3.9Å; F62-K78 CarbonylContact C-O 3.27Å; F62-K78 WeakPolarHBondContact CA-O 3.43Å; F62-K78 WeakPolarHBondContact CB-O 3.31Å; F62-V79 HydrophobicContact CB-CG2 4.15Å; F62-A85 HydrophobicContact CB-CB 4.32Å; F62-A85 HydrophobicContact CD1-CB 3.71Å; F62-A85 HydrophobicContact CG-CB 4.46Å; F62-L90 HydrophobicContact CB-CD2 4.02Å; F62-L90 HydrophobicContact CD1-CD2 3.71Å; F62-L90 HydrophobicContact CD2-CD2 4.1Å; F62-L90 HydrophobicContact CE1-CD2 4.14Å; F62-L90 HydrophobicContact CE2-CD2 4.5Å; F62-L90 HydrophobicContact CG-CD2 3.67Å; F62-L116 HydrophobicContact CE2-CD1 4.3Å; F62-L116 HydrophobicContact CZ-CD1 4.48Å; F62-L116 HydrophobicContact CZ-CD2 4.28Å; F62-M124 HydrophobicContact CE1-CE 4.22Å; F62-M124 HydrophobicContact CZ-CE 3.85Å
63	N	92.3	Very high	83.1	Confident	92 Å²	92	66.3 Å²	66.3	49%	0.492	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	146.7	174.1	-68.9	-8.3	0	0	0	109.7	I76 S77 K78	N63-I76 WeakPolarHBondContact O-CA 3.43Å; N63-S77 WeakPolarHBondContact CB-OG 3.21Å; N63-S77 PolarHBondContact O-N 2.81Å; N63-S77 PolarHBondContact O-OG 2.85Å; N63-K78 HydrophobicContact CB-CB 4.22Å; N63-K78 PolarHBondContact N-O 3.02Å
64	I	92.3	Very high	83.3	Confident	29 Å²	29	59.3 Å²	59.3	15%	0.149	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	161.1	172.9	71	175	0	0	0	110.4	F62 I74 F75 I76 A112 V113 L116	F62-I64 HydrophobicContact CD2-CG2 3.85Å; F62-I64 HydrophobicContact CE2-CG2 3.6Å; I64-I74 HydrophobicContact CB-CG2 3.98Å; I64-I74 HydrophobicContact CD1-CG2 4.15Å; I64-I74 HydrophobicContact CG2-CG2 4.25Å; I64-F75 CarbonylContact C-O 3.49Å; I64-F75 VanDerWaalsContact CA-O 3.27Å; I64-F75 WeakPolarHBondContact CA-O 3.2Å; I64-I76 HydrophobicContact CG2-CD1 4.12Å; I64-A112 HydrophobicContact CD1-CB 4.16Å; I64-V113 HydrophobicContact CD1-CG2 3.79Å; I64-V113 HydrophobicContact CG1-CG2 4.39Å; I64-L116 HydrophobicContact CD1-CD1 3.98Å; I64-L116 HydrophobicContact CG2-CD1 4.08Å
65	R	90.1	Very high	83.9	Confident	41 Å²	41	56.4 Å²	56.4	16%	0.155	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	165	168.8	64.4	-178.9	178.9	157.1	8.1	110.6	F75 Y133 K137	R65-F75 HydrophobicContact CG-CB 4.4Å; R65-F75 PolarHBondContact N-O 3.1Å; R65-F75 PolarHBondContact O-N 3.05Å; R65-Y133 VanDerWaalsContact NH2-CD1 3.27Å; R65-Y133 PolarHBondContact NH2-O 3.11Å; R65-Y133 PolarHBondContact NH2-OH 2.72Å; R65-K137 VanDerWaalsContact NH1-CB 3.29Å
66	G	88.9	Confident	84.7	Confident	12 Å²	12	54 Å²	54	12%	0.124	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	90.6	-151	-179.8	0	0	0	0	0	113.1	H109	G66-H109 WeakPolarHBondContact O-CB 3.32Å; G66-H109 PolarHBondContact O-CD2 2.69Å; G66-H109 VanDerWaalsContact O-CD2 3.24Å
67	G	86.4	Confident	85.6	Confident	1 Å²	1	48.7 Å²	48.7	1%	0.01	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	112.4	174.3	-171.9	0	0	0	0	0	111.1	A69 S70 L72 G73 I107	G67-A69 VanDerWaalsContact C-N 3.26Å; G67-A69 PolarHBondContact O-N 3.05Å; G67-A69 VanDerWaalsContact O-N 3.09Å; G67-S70 WeakPolarHBondContact O-CB 3.2Å; G67-S70 PolarHBondContact O-N 3.46Å; G67-L72 CarbonylContact C-O 3.55Å; G67-L72 VanDerWaalsContact C-O 3.27Å; G67-L72 WeakPolarHBondContact CA-O 3.39Å; G67-L72 PolarHBondContact N-O 3.04Å; G67-G73 PolarHBondContact N-O 3.24Å; G67-I107 WeakPolarHBondContact CA-O 3.39Å
68	K	86.1	Confident	86.6	Confident	95 Å²	95	50.3 Å²	50.3	41%	0.413	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-47.9	-42.9	-172.4	-175.3	164.7	-172.6	148.7	0	114.5	S70 Q71 D106 I107 E108	K68-S70 PolarHBondContact O-N 2.95Å; K68-Q71 PolarHBondContact O-N 2.91Å; K68-D106 VanDerWaalsContact CD-OD1 3.23Å; K68-D106 WeakPolarHBondContact CD-OD1 3.41Å; K68-D106 WeakPolarHBondContact CE-OD1 3.34Å; K68-D106 VanDerWaalsContact CG-OD1 3.31Å; K68-D106 WeakPolarHBondContact CG-OD1 3.48Å; K68-D106 IonicContact NZ-OD1 3.77Å; K68-D106 PolarHBondContact NZ-OD1 3.46Å; K68-D106 IonicContact NZ-OD2 2.73Å; K68-D106 PolarHBondContact NZ-OD2 2.77Å; K68-I107 PolarHBondContact N-O 3.31Å; K68-E108 WeakPolarHBondContact CD-OE1 3.49Å
69	A	80.3	Confident	87.5	Confident	90 Å²	90	49.9 Å²	49.9	74%	0.744	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-58.4	-30	177.5	0	0	0	0	0	114.2	G67 Q71	G67-A69 VanDerWaalsContact C-N 3.26Å; G67-A69 PolarHBondContact O-N 3.05Å; G67-A69 VanDerWaalsContact O-N 3.09Å; A69-Q71 VanDerWaalsContact C-N 3.3Å
70	S	75.6	Confident	88	Confident	57 Å²	57	44.8 Å²	44.8	40%	0.399	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-85.7	1.8	177.2	-55.5	0	0	0	0	113.6	G67 K68 L72	G67-S70 WeakPolarHBondContact O-CB 3.2Å; G67-S70 PolarHBondContact O-N 3.46Å; K68-S70 PolarHBondContact O-N 2.95Å; S70-L72 WeakPolarHBondContact O-CG 3.33Å; S70-L72 PolarHBondContact O-N 3.41Å
71	Q	78.1	Confident	88.3	Confident	173 Å²	173	47.4 Å²	47.4	81%	0.808	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	23	-171.2	-60	176	-5.5	0	0	113.3	K68 A69	K68-Q71 PolarHBondContact O-N 2.91Å; A69-Q71 VanDerWaalsContact C-N 3.3Å
72	L	77.6	Confident	88.3	Confident	39 Å²	39	53 Å²	53	20%	0.204	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	141.5	-175	-70.4	167.8	0	0	0	106.7	G67 S70 F75 Q136	G67-L72 CarbonylContact C-O 3.55Å; G67-L72 VanDerWaalsContact C-O 3.27Å; G67-L72 WeakPolarHBondContact CA-O 3.39Å; G67-L72 PolarHBondContact N-O 3.04Å; S70-L72 WeakPolarHBondContact O-CG 3.33Å; S70-L72 PolarHBondContact O-N 3.41Å; L72-F75 HydrophobicContact CB-CE2 4.48Å; L72-Q136 HydrophobicContact CD1-CB 3.76Å; L72-Q136 HydrophobicContact CD1-CG 3.63Å
73	G	86.9	Confident	88.1	Confident	9 Å²	9	53 Å²	53	9%	0.093	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	-178.5	180	0	0	0	0	0	113.7	G67 F75	G67-G73 PolarHBondContact N-O 3.24Å; G73-F75 WeakPolarHBondContact O-CD2 3.03Å; G73-F75 WeakPolarHBondContact O-CE2 3.2Å
74	I	92.9	Very high	88	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	126.6	174.4	-60.9	-68.5	0	0	0	109.5	I64 V96 F104 I107 A112	I64-I74 HydrophobicContact CB-CG2 3.98Å; I64-I74 HydrophobicContact CD1-CG2 4.15Å; I64-I74 HydrophobicContact CG2-CG2 4.25Å; I74-V96 HydrophobicContact CB-CB 4.33Å; I74-V96 HydrophobicContact CG2-CB 4.22Å; I74-V96 HydrophobicContact CG2-CG2 4.11Å; I74-V96 PolarHBondContact O-N 3.32Å; I74-F104 HydrophobicContact CB-CD1 4.39Å; I74-F104 HydrophobicContact CG1-CD1 4.23Å; I74-F104 HydrophobicContact CG2-CD1 4.46Å; I74-I107 HydrophobicContact CD1-CG2 4.2Å; I74-I107 HydrophobicContact CG1-CG2 3.6Å; I74-A112 HydrophobicContact CD1-CB 3.95Å; I74-A112 HydrophobicContact CG1-CB 4.16Å
75	F	92.4	Very high	87.9	Confident	1 Å²	1	50 Å²	50	0%	0.004	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	150.9	177	-66.9	-97.8	0	0	0	112.2	I64 R65 L72 G73 S77 D94 Q95 F129 N132 Y133	I64-F75 CarbonylContact C-O 3.49Å; I64-F75 VanDerWaalsContact CA-O 3.27Å; I64-F75 WeakPolarHBondContact CA-O 3.2Å; R65-F75 HydrophobicContact CG-CB 4.4Å; R65-F75 PolarHBondContact N-O 3.1Å; R65-F75 PolarHBondContact O-N 3.05Å; L72-F75 HydrophobicContact CB-CE2 4.48Å; G73-F75 WeakPolarHBondContact O-CD2 3.03Å; G73-F75 WeakPolarHBondContact O-CE2 3.2Å; F75-S77 PolarHBondContact O-N 2.74Å; F75-D94 CarbonylContact C-O 3.53Å; F75-D94 WeakPolarHBondContact CA-O 3.33Å; F75-Q95 HydrophobicContact CD1-CB 3.8Å; F75-Q95 HydrophobicContact CD1-CG 4.19Å; F75-Q95 HydrophobicContact CE1-CB 3.55Å; F75-Q95 HydrophobicContact CE1-CG 3.81Å; F75-Q95 HydrophobicContact CE2-CG 4.31Å; F75-Q95 HydrophobicContact CZ-CB 4.13Å; F75-Q95 HydrophobicContact CZ-CG 3.85Å; F75-F129 HydrophobicContact CE1-CB 4.49Å; F75-N132 HydrophobicContact CE1-CB 4.01Å; F75-N132 HydrophobicContact CZ-CB 3.7Å; F75-Y133 HydrophobicContact CB-CD2 3.8Å; F75-Y133 HydrophobicContact CB-CE2 4.34Å; F75-Y133 HydrophobicContact CD1-CD2 4.27Å; F75-Y133 HydrophobicContact CG-CD2 4.27Å
76	I	93.6	Very high	88	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	118	172.4	-53.3	-54.3	0	0	0	109.5	F62 N63 I64 V79 L90 Q91 G93 D94 V96 Y133	F62-I76 HydrophobicContact CB-CG2 4.32Å; F62-I76 HydrophobicContact CD2-CD1 3.67Å; F62-I76 HydrophobicContact CE2-CD1 3.9Å; N63-I76 WeakPolarHBondContact O-CA 3.43Å; I64-I76 HydrophobicContact CG2-CD1 4.12Å; I76-V79 HydrophobicContact CG2-CG2 3.52Å; I76-L90 HydrophobicContact CD1-CD1 4.24Å; I76-L90 HydrophobicContact CD1-CD2 3.98Å; I76-L90 HydrophobicContact CD1-CG 4.43Å; I76-L90 HydrophobicContact CG1-CD1 3.72Å; I76-L90 HydrophobicContact CG1-CD2 4.14Å; I76-L90 HydrophobicContact CG1-CG 4.04Å; I76-L90 HydrophobicContact CG2-CD2 4.38Å; I76-L90 HydrophobicContact CG2-CG 4.29Å; I76-Q91 WeakPolarHBondContact CB-O 3.4Å; I76-G93 PolarHBondContact O-N 2.86Å; I76-D94 HydrophobicContact CB-CB 4.35Å; I76-D94 HydrophobicContact CG1-CB 3.91Å; I76-D94 PolarHBondContact N-O 3.48Å; I76-V96 HydrophobicContact CD1-CG2 3.77Å; I76-V96 HydrophobicContact CG1-CG2 4.36Å; I76-Y133 WeakPolarHBondContact O-CE2 3.39Å
77	S	91.5	Very high	88	Confident	26 Å²	26	59.5 Å²	59.5	18%	0.182	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	-29.3	-177.1	61.3	0	0	0	0	114.4	N63 F75 E92 Y133	N63-S77 WeakPolarHBondContact CB-OG 3.21Å; N63-S77 PolarHBondContact O-N 2.81Å; N63-S77 PolarHBondContact O-OG 2.85Å; F75-S77 PolarHBondContact O-N 2.74Å; S77-E92 WeakPolarHBondContact O-CG 3.13Å; S77-Y133 VanDerWaalsContact CA-OH 3.3Å; S77-Y133 WeakPolarHBondContact CA-OH 3.43Å; S77-Y133 PolarHBondContact O-OH 3.15Å; S77-Y133 VanDerWaalsContact O-OH 3.08Å
78	K	91.6	Very high	88.2	Confident	123 Å²	123	60.6 Å²	60.6	54%	0.535	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	143.3	178.2	-171.7	172.4	-178.1	175.3	0	109	F62 N63	F62-K78 CarbonylContact C-O 3.27Å; F62-K78 WeakPolarHBondContact CA-O 3.43Å; F62-K78 WeakPolarHBondContact CB-O 3.31Å; N63-K78 HydrophobicContact CB-CB 4.22Å; N63-K78 PolarHBondContact N-O 3.02Å
79	V	93.3	Very high	88.4	Confident	26 Å²	26	62.9 Å²	62.9	16%	0.158	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	135.4	169.7	-176	0	0	0	0	108	F62 I76 A85 H86 L90	F62-V79 HydrophobicContact CB-CG2 4.15Å; I76-V79 HydrophobicContact CG2-CG2 3.52Å; V79-A85 HydrophobicContact CG1-CB 4.03Å; V79-H86 HydrophobicContact CG1-CB 4.06Å; V79-L90 HydrophobicContact CG2-CG 4.25Å; V79-L90 WeakPolarHBondContact CG2-O 3.43Å
80	V	92.2	Very high	89.1	Confident	66 Å²	66	58.8 Å²	58.8	40%	0.4	30%	0.304	S	S	.	.			trans	-79.4	126.3	178.7	179.7	0	0	0	0	107.9	G61 S83	G61-V80 WeakPolarHBondContact O-CB 3.5Å; G61-V80 WeakPolarHBondContact O-CG2 3.43Å; G61-V80 PolarHBondContact O-N 2.88Å; V80-S83 VanDerWaalsContact O-CB 3.24Å; V80-S83 WeakPolarHBondContact O-CB 3.45Å; V80-S83 PolarHBondContact O-N 3.1Å; V80-S83 PolarHBondContact O-OG 3.23Å
81	P	90.4	Very high	89.9	Confident	91 Å²	91	59.8 Å²	59.8	59%	0.591	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	146.7	174	-24.6	34.1	0	0	0	111.4	S83	P81-S83 PolarHBondContact O-N 2.82Å
82	D	88.4	Confident	90.6	Very high	127 Å²	127	55.7 Å²	55.7	68%	0.679	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	57	14.3	-179.3	-53.9	-39.8	0	0	0	116.2	H86 R87	D82-H86 PolarHBondContact N-ND1 3.1Å; D82-R87 PolarHBondContact O-NH1 3.04Å
83	S	89.8	Confident	91.2	Very high	15 Å²	15	53.9 Å²	53.9	11%	0.105	27%	0.274	C	S	.	.	S	Bend	trans	-78.8	165.8	170.7	67.7	0	0	0	0	112.2	G61 V80 P81 A85 H86 R87	G61-S83 PolarHBondContact O-OG 3.34Å; V80-S83 VanDerWaalsContact O-CB 3.24Å; V80-S83 WeakPolarHBondContact O-CB 3.45Å; V80-S83 PolarHBondContact O-N 3.1Å; V80-S83 PolarHBondContact O-OG 3.23Å; P81-S83 PolarHBondContact O-N 2.82Å; S83-A85 PolarHBondContact O-N 3.17Å; S83-A85 PolarHBondContact OG-N 3.16Å; S83-H86 PolarHBondContact O-N 3.1Å; S83-H86 VanDerWaalsContact O-N 3.15Å; S83-H86 PolarHBondContact OG-N 2.79Å; S83-H86 VanDerWaalsContact OG-N 3.14Å; S83-R87 PolarHBondContact O-N 2.73Å
84	D	89.1	Confident	91.5	Very high	59 Å²	59	53.4 Å²	53.4	32%	0.316	27%	0.27	S	S	.	.	H	α-helix	trans	-58.5	-34	171.2	-66.3	-54.1	0	0	0	111.7	R87 A88	D84-R87 PolarHBondContact O-N 2.91Å; D84-R87 IonicContact OD1-CZ 3.6Å; D84-R87 IonicContact OD1-NE 3.7Å; D84-R87 IonicContact OD1-NH2 2.71Å; D84-R87 PolarHBondContact OD1-NH2 3.22Å; D84-R87 IonicContact OD2-NH2 3.95Å; D84-A88 VanDerWaalsContact O-CB 3.31Å; D84-A88 WeakPolarHBondContact O-CB 3.31Å; D84-A88 PolarHBondContact O-N 3.1Å
85	A	91.3	Very high	91.6	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-65.6	-42.5	174.7	0	0	0	0	0	112.7	L52 F62 V79 S83 A88 E89 L90	L52-A85 HydrophobicContact CD1-CB 4.37Å; L52-A85 HydrophobicContact CD2-CB 4.45Å; F62-A85 HydrophobicContact CB-CB 4.32Å; F62-A85 HydrophobicContact CD1-CB 3.71Å; F62-A85 HydrophobicContact CG-CB 4.46Å; V79-A85 HydrophobicContact CG1-CB 4.03Å; S83-A85 PolarHBondContact O-N 3.17Å; S83-A85 PolarHBondContact OG-N 3.16Å; A85-A88 CarbonylContact O-C 3.48Å; A85-A88 PolarHBondContact O-N 3.17Å; A85-E89 PolarHBondContact O-N 3.3Å; A85-L90 HydrophobicContact CB-CB 4.28Å; A85-L90 HydrophobicContact CB-CD2 4.05Å; A85-L90 VanDerWaalsContact O-CB 3.26Å; A85-L90 WeakPolarHBondContact O-CB 3.26Å; A85-L90 PolarHBondContact O-N 2.84Å
86	H	90.6	Very high	91.7	Very high	95 Å²	95	54.7 Å²	54.7	44%	0.44	28%	0.276	S	S	.	.	H	α-helix	trans	-64.4	-43.4	175.6	-177.8	-134.5	0	0	0	111.7	V79 D82 S83 A88 E89	V79-H86 HydrophobicContact CG1-CB 4.06Å; D82-H86 PolarHBondContact N-ND1 3.1Å; S83-H86 PolarHBondContact O-N 3.1Å; S83-H86 VanDerWaalsContact O-N 3.15Å; S83-H86 PolarHBondContact OG-N 2.79Å; S83-H86 VanDerWaalsContact OG-N 3.14Å; H86-A88 PolarHBondContact O-N 2.74Å; H86-E89 PolarHBondContact O-N 3.42Å; H86-E89 VanDerWaalsContact O-N 3.07Å
87	R	90.6	Very high	91.7	Very high	157 Å²	157	55.9 Å²	55.9	59%	0.592	28%	0.282	S	S	*	.	H	α-helix	trans	-65	-26.1	176	-73.9	-170.6	-73.6	-84.6	-1.4	113.5	D82 S83 D84	D82-R87 PolarHBondContact O-NH1 3.04Å; S83-R87 PolarHBondContact O-N 2.73Å; D84-R87 PolarHBondContact O-N 2.91Å; D84-R87 IonicContact OD1-CZ 3.6Å; D84-R87 IonicContact OD1-NE 3.7Å; D84-R87 IonicContact OD1-NH2 2.71Å; D84-R87 PolarHBondContact OD1-NH2 3.22Å; D84-R87 IonicContact OD2-NH2 3.95Å
88	A	90.1	Very high	91.9	Very high	23 Å²	23	56.2 Å²	56.2	19%	0.19	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	13	174.8	0	0	0	0	0	113.3	I50 L52 D84 A85 H86 L90	I50-A88 WeakPolarHBondContact CG2-O 3.45Å; L52-A88 HydrophobicContact CD2-CB 3.35Å; D84-A88 VanDerWaalsContact O-CB 3.31Å; D84-A88 WeakPolarHBondContact O-CB 3.31Å; D84-A88 PolarHBondContact O-N 3.1Å; A85-A88 CarbonylContact O-C 3.48Å; A85-A88 PolarHBondContact O-N 3.17Å; H86-A88 PolarHBondContact O-N 2.74Å; A88-L90 PolarHBondContact O-N 3.24Å
89	E	91	Very high	92	Very high	144 Å²	144	50.3 Å²	50.3	67%	0.673	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.2	25	177.9	-52.5	-179.3	164.5	0	0	114	R48 A85 H86	R48-E89 PolarHBondContact NH2-O 2.95Å; A85-E89 PolarHBondContact O-N 3.3Å; H86-E89 PolarHBondContact O-N 3.42Å; H86-E89 VanDerWaalsContact O-N 3.07Å
90	L	93.2	Very high	92	Very high	4 Å²	4	52 Å²	52	2%	0.021	27%	0.266	C	S	.	.			trans	-72.2	133.8	168.4	-168	61.6	0	0	0	108.8	I50 F62 I76 V79 A85 A88 D94 M124 V126	I50-L90 HydrophobicContact CD1-CB 3.88Å; I50-L90 HydrophobicContact CD1-CD1 3.64Å; I50-L90 HydrophobicContact CD1-CD2 4.32Å; I50-L90 HydrophobicContact CD1-CG 4.14Å; F62-L90 HydrophobicContact CB-CD2 4.02Å; F62-L90 HydrophobicContact CD1-CD2 3.71Å; F62-L90 HydrophobicContact CD2-CD2 4.1Å; F62-L90 HydrophobicContact CE1-CD2 4.14Å; F62-L90 HydrophobicContact CE2-CD2 4.5Å; F62-L90 HydrophobicContact CG-CD2 3.67Å; I76-L90 HydrophobicContact CD1-CD1 4.24Å; I76-L90 HydrophobicContact CD1-CD2 3.98Å; I76-L90 HydrophobicContact CD1-CG 4.43Å; I76-L90 HydrophobicContact CG1-CD1 3.72Å; I76-L90 HydrophobicContact CG1-CD2 4.14Å; I76-L90 HydrophobicContact CG1-CG 4.04Å; I76-L90 HydrophobicContact CG2-CD2 4.38Å; I76-L90 HydrophobicContact CG2-CG 4.29Å; V79-L90 HydrophobicContact CG2-CG 4.25Å; V79-L90 WeakPolarHBondContact CG2-O 3.43Å; A85-L90 HydrophobicContact CB-CB 4.28Å; A85-L90 HydrophobicContact CB-CD2 4.05Å; A85-L90 VanDerWaalsContact O-CB 3.26Å; A85-L90 WeakPolarHBondContact O-CB 3.26Å; A85-L90 PolarHBondContact O-N 2.84Å; A88-L90 PolarHBondContact O-N 3.24Å; L90-D94 HydrophobicContact CD1-CB 4.09Å; L90-D94 WeakPolarHBondContact CD1-OD2 3.39Å; L90-M124 HydrophobicContact CD1-SD 4.41Å; L90-V126 HydrophobicContact CD1-CG1 4.13Å; L90-V126 HydrophobicContact CD1-CG2 4.45Å
91	Q	92.8	Very high	91.8	Very high	77 Å²	77	57.9 Å²	57.9	36%	0.36	29%	0.29	S	S	.	.			trans	-136	162.6	-178.5	65.9	-175.3	3.6	0	0	113.2	I76 G93 D94 F128	I76-Q91 WeakPolarHBondContact CB-O 3.4Å; Q91-G93 PolarHBondContact O-N 3.27Å; Q91-D94 PolarHBondContact N-OD2 2.68Å; Q91-D94 VanDerWaalsContact N-OD2 3.1Å; Q91-D94 WeakPolarHBondContact O-CB 3.42Å; Q91-D94 PolarHBondContact O-N 3.41Å; Q91-F128 HydrophobicContact CG-CD2 4.15Å; Q91-F128 HydrophobicContact CG-CE2 4.34Å; Q91-F128 VanDerWaalsContact NE2-CE2 3.3Å; Q91-F128 VanDerWaalsContact NE2-CG 3.3Å
92	E	92.4	Very high	91.9	Very high	87 Å²	87	56.5 Å²	56.5	41%	0.407	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	133.5	172.7	-176.4	176.8	175.6	0	0	110.1	S77 Y133 K137	S77-E92 WeakPolarHBondContact O-CG 3.13Å; E92-Y133 VanDerWaalsContact CD-OH 3.22Å; E92-Y133 HydrophobicContact CG-CD1 4.39Å; E92-Y133 HydrophobicContact CG-CE1 3.46Å; E92-Y133 VanDerWaalsContact CG-CE1 3.46Å; E92-Y133 HydrophobicContact CG-CE2 4.06Å; E92-Y133 VanDerWaalsContact CG-OH 3.24Å; E92-Y133 WeakPolarHBondContact CG-OH 3.36Å; E92-Y133 WeakPolarHBondContact OE1-CE1 3.3Å; E92-Y133 PolarHBondContact OE1-OH 2.91Å; E92-K137 IonicContact OE1-NZ 3.37Å; E92-K137 PolarHBondContact OE1-NZ 3.28Å
93	G	90.9	Very high	92.1	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.01	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	91.5	-1.8	-176.5	0	0	0	0	0	115	I76 Q91 F129	I76-G93 PolarHBondContact O-N 2.86Å; Q91-G93 PolarHBondContact O-N 3.27Å; G93-F129 CarbonylContact O-C 3.58Å; G93-F129 PolarHBondContact O-N 3.26Å
94	D	93.9	Very high	92.3	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	131.1	166.4	-75.9	-15.4	0	0	0	110.7	R48 F75 I76 L90 Q91 V126 R127 F128	R48-D94 IonicContact CZ-OD1 3.17Å; R48-D94 IonicContact CZ-OD2 3.47Å; R48-D94 VanDerWaalsContact NH2-CG 3.26Å; R48-D94 IonicContact NH2-OD1 3.04Å; R48-D94 PolarHBondContact NH2-OD1 3Å; R48-D94 IonicContact NH2-OD2 2.73Å; R48-D94 PolarHBondContact NH2-OD2 3.24Å; F75-D94 CarbonylContact C-O 3.53Å; F75-D94 WeakPolarHBondContact CA-O 3.33Å; I76-D94 HydrophobicContact CB-CB 4.35Å; I76-D94 HydrophobicContact CG1-CB 3.91Å; I76-D94 PolarHBondContact N-O 3.48Å; L90-D94 HydrophobicContact CD1-CB 4.09Å; L90-D94 WeakPolarHBondContact CD1-OD2 3.39Å; Q91-D94 PolarHBondContact N-OD2 2.68Å; Q91-D94 VanDerWaalsContact N-OD2 3.1Å; Q91-D94 WeakPolarHBondContact O-CB 3.42Å; Q91-D94 PolarHBondContact O-N 3.41Å; D94-V126 HydrophobicContact CB-CB 4.36Å; D94-R127 WeakPolarHBondContact CA-O 3.43Å; D94-F128 VanDerWaalsContact OD1-CA 3.23Å; D94-F128 WeakPolarHBondContact OD1-CA 3.3Å; D94-F128 WeakPolarHBondContact OD1-CB 3.07Å; D94-F128 WeakPolarHBondContact OD1-CD2 3.39Å
95	Q	93.8	Very high	92.3	Very high	26 Å²	26	56.2 Å²	56.2	12%	0.121	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	129.9	169.2	-171.5	179.8	-8.4	0	0	109.3	F75 L97 V126 R127	F75-Q95 HydrophobicContact CD1-CB 3.8Å; F75-Q95 HydrophobicContact CD1-CG 4.19Å; F75-Q95 HydrophobicContact CE1-CB 3.55Å; F75-Q95 HydrophobicContact CE1-CG 3.81Å; F75-Q95 HydrophobicContact CE2-CG 4.31Å; F75-Q95 HydrophobicContact CZ-CB 4.13Å; F75-Q95 HydrophobicContact CZ-CG 3.85Å; Q95-L97 HydrophobicContact CG-CD2 4.32Å; Q95-V126 CarbonylContact O-C 3.47Å; Q95-V126 WeakPolarHBondContact O-CA 3.41Å; Q95-R127 PolarHBondContact N-O 3.15Å; Q95-R127 PolarHBondContact O-N 3.34Å
96	V	94.6	Very high	92.1	Very high	2 Å²	2	60.7 Å²	60.7	1%	0.012	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	119.1	174	-171.9	0	0	0	0	108.6	I74 I76 V99 F104 V126	I74-V96 HydrophobicContact CB-CB 4.33Å; I74-V96 HydrophobicContact CG2-CB 4.22Å; I74-V96 HydrophobicContact CG2-CG2 4.11Å; I74-V96 PolarHBondContact O-N 3.32Å; I76-V96 HydrophobicContact CD1-CG2 3.77Å; I76-V96 HydrophobicContact CG1-CG2 4.36Å; V96-V99 HydrophobicContact CG1-CG2 3.59Å; V96-F104 HydrophobicContact CB-CB 4.39Å; V96-F104 HydrophobicContact CB-CD1 4.32Å; V96-F104 HydrophobicContact CG1-CB 3.95Å; V96-F104 HydrophobicContact CG1-CD1 3.74Å; V96-F104 HydrophobicContact CG1-CE1 4.49Å; V96-F104 HydrophobicContact CG1-CG 3.96Å; V96-V126 HydrophobicContact CG2-CG1 4.35Å
97	L	94.1	Very high	92.1	Very high	25 Å²	25	57 Å²	57	13%	0.131	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	-43.3	178.8	-56.8	178.8	0	0	0	111	P47 Q95 D103 F104 Q105 R125 R127	P47-L97 HydrophobicContact CB-CD1 3.9Å; P47-L97 HydrophobicContact CG-CD1 3.96Å; Q95-L97 HydrophobicContact CG-CD2 4.32Å; L97-D103 VanDerWaalsContact O-OD1 3.07Å; L97-F104 PolarHBondContact O-N 3.03Å; L97-Q105 HydrophobicContact CD2-CG 4.35Å; L97-R125 HydrophobicContact CB-CB 4.49Å; L97-R125 WeakPolarHBondContact CB-O 3.5Å; L97-R125 HydrophobicContact CD1-CG 4.42Å; L97-R125 PolarHBondContact N-O 3.04Å; L97-R127 HydrophobicContact CD1-CB 4.21Å
98	S	95	Very high	92.2	Very high	32 Å²	32	53.5 Å²	53.5	22%	0.224	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	156.2	176.7	59.6	0	0	0	0	112.1	V102 M124 R125	S98-V102 CarbonylContact C-O 3.49Å; S98-V102 WeakPolarHBondContact CA-O 3.43Å; S98-V102 WeakPolarHBondContact CB-O 3.27Å; S98-M124 CarbonylContact O-C 3.56Å; S98-M124 WeakPolarHBondContact O-CA 3.37Å; S98-M124 WeakPolarHBondContact O-CB 3.5Å; S98-R125 PolarHBondContact N-O 3.43Å; S98-R125 PolarHBondContact O-N 3.37Å; S98-R125 WeakPolarHBondContact OG-CB 3.47Å
99	V	94.8	Very high	92.3	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	124.3	174.8	-177.5	0	0	0	0	109.4	V96 E101 V102 F104 I115 L116 I122 L123 M124	V96-V99 HydrophobicContact CG1-CG2 3.59Å; V99-E101 PolarHBondContact O-N 2.78Å; V99-V102 PolarHBondContact N-O 3.3Å; V99-V102 WeakPolarHBondContact O-CB 3.45Å; V99-V102 PolarHBondContact O-N 3.21Å; V99-F104 HydrophobicContact CB-CD2 3.95Å; V99-F104 HydrophobicContact CB-CE1 4.29Å; V99-F104 HydrophobicContact CB-CE2 3.42Å; V99-F104 VanDerWaalsContact CB-CE2 3.42Å; V99-F104 HydrophobicContact CB-CZ 3.61Å; V99-F104 HydrophobicContact CG1-CZ 4.41Å; V99-F104 HydrophobicContact CG2-CD1 3.85Å; V99-F104 HydrophobicContact CG2-CD2 3.79Å; V99-F104 HydrophobicContact CG2-CE1 3.57Å; V99-F104 HydrophobicContact CG2-CE2 3.55Å; V99-F104 HydrophobicContact CG2-CG 3.96Å; V99-F104 HydrophobicContact CG2-CZ 3.42Å; V99-F104 VanDerWaalsContact CG2-CZ 3.42Å; V99-I115 HydrophobicContact CG1-CG2 4.38Å; V99-L116 HydrophobicContact CG1-CD2 4.1Å; V99-L116 HydrophobicContact CG2-CD2 4.14Å; V99-I122 HydrophobicContact CG1-CG2 3.54Å; V99-L123 CarbonylContact C-O 3.52Å; V99-L123 WeakPolarHBondContact CA-O 3Å; V99-M124 HydrophobicContact CG2-CB 3.91Å
100	N	92.1	Very high	92.3	Very high	60 Å²	60	53.5 Å²	53.5	32%	0.321	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.9	48.6	179.8	-64.9	-13.9	0	0	0	111.9	V102 E121 L123	N100-V102 PolarHBondContact O-N 2.85Å; N100-V102 VanDerWaalsContact O-N 3.12Å; N100-E121 PolarHBondContact ND2-O 3.49Å; N100-E121 PolarHBondContact OD1-O 2.93Å; N100-L123 PolarHBondContact N-O 2.58Å; N100-L123 PolarHBondContact OD1-N 3.47Å
101	E	89.9	Confident	92.2	Very high	190 Å²	190	59.2 Å²	59.2	89%	0.888	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.8	-0.5	-177.7	-48.5	-173.2	135.5	0	0	116	V99	V99-E101 PolarHBondContact O-N 2.78Å
102	V	92.6	Very high	92.2	Very high	62 Å²	62	55.6 Å²	55.6	38%	0.376	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	132.2	171.7	-175.1	0	0	0	0	109.6	S98 V99 N100 F104 I107 I115	S98-V102 CarbonylContact C-O 3.49Å; S98-V102 WeakPolarHBondContact CA-O 3.43Å; S98-V102 WeakPolarHBondContact CB-O 3.27Å; V99-V102 PolarHBondContact N-O 3.3Å; V99-V102 WeakPolarHBondContact O-CB 3.45Å; V99-V102 PolarHBondContact O-N 3.21Å; N100-V102 PolarHBondContact O-N 2.85Å; N100-V102 VanDerWaalsContact O-N 3.12Å; V102-F104 HydrophobicContact CB-CD2 4.48Å; V102-F104 HydrophobicContact CB-CE2 4.14Å; V102-F104 HydrophobicContact CG1-CD2 4.39Å; V102-F104 HydrophobicContact CG1-CE2 4.16Å; V102-F104 WeakPolarHBondContact O-CD2 3.44Å; V102-I107 HydrophobicContact CG1-CD1 4.36Å; V102-I115 HydrophobicContact CB-CD1 4.42Å; V102-I115 HydrophobicContact CG1-CD1 3.88Å; V102-I115 HydrophobicContact CG2-CD1 4.5Å
103	D	92.6	Very high	92.1	Very high	83 Å²	83	53.1 Å²	53.1	44%	0.444	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	132.4	175	-175.5	31.3	0	0	0	111.4	L97 Q105	L97-D103 VanDerWaalsContact O-OD1 3.07Å; D103-Q105 WeakPolarHBondContact OD1-CB 3.23Å; D103-Q105 WeakPolarHBondContact OD1-CG 3.48Å; D103-Q105 PolarHBondContact OD1-N 3.29Å; D103-Q105 PolarHBondContact OD1-NE2 3.29Å
104	F	93.8	Very high	92.2	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	29%	0.292	C	S	.	.			trans	-111.7	4	-178.2	-89.2	-125.1	0	0	0	112.4	I74 V96 L97 V99 V102 I107 A112 I115 L116	I74-F104 HydrophobicContact CB-CD1 4.39Å; I74-F104 HydrophobicContact CG1-CD1 4.23Å; I74-F104 HydrophobicContact CG2-CD1 4.46Å; V96-F104 HydrophobicContact CB-CB 4.39Å; V96-F104 HydrophobicContact CB-CD1 4.32Å; V96-F104 HydrophobicContact CG1-CB 3.95Å; V96-F104 HydrophobicContact CG1-CD1 3.74Å; V96-F104 HydrophobicContact CG1-CE1 4.49Å; V96-F104 HydrophobicContact CG1-CG 3.96Å; L97-F104 PolarHBondContact O-N 3.03Å; V99-F104 HydrophobicContact CB-CD2 3.95Å; V99-F104 HydrophobicContact CB-CE1 4.29Å; V99-F104 HydrophobicContact CB-CE2 3.42Å; V99-F104 VanDerWaalsContact CB-CE2 3.42Å; V99-F104 HydrophobicContact CB-CZ 3.61Å; V99-F104 HydrophobicContact CG1-CZ 4.41Å; V99-F104 HydrophobicContact CG2-CD1 3.85Å; V99-F104 HydrophobicContact CG2-CD2 3.79Å; V99-F104 HydrophobicContact CG2-CE1 3.57Å; V99-F104 HydrophobicContact CG2-CE2 3.55Å; V99-F104 HydrophobicContact CG2-CG 3.96Å; V99-F104 HydrophobicContact CG2-CZ 3.42Å; V99-F104 VanDerWaalsContact CG2-CZ 3.42Å; V102-F104 HydrophobicContact CB-CD2 4.48Å; V102-F104 HydrophobicContact CB-CE2 4.14Å; V102-F104 HydrophobicContact CG1-CD2 4.39Å; V102-F104 HydrophobicContact CG1-CE2 4.16Å; V102-F104 WeakPolarHBondContact O-CD2 3.44Å; F104-I107 HydrophobicContact CB-CG2 4.17Å; F104-I107 HydrophobicContact CD1-CG2 4.15Å; F104-I107 HydrophobicContact CD2-CD1 4.08Å; F104-I107 HydrophobicContact CE2-CD1 3.93Å; F104-I107 HydrophobicContact CG-CD1 4.47Å; F104-I107 HydrophobicContact CG-CG2 4.1Å; F104-I107 HydrophobicContact CZ-CD1 4.22Å; F104-I107 WeakPolarHBondContact O-CG2 3.46Å; F104-A112 HydrophobicContact CD1-CB 4.1Å; F104-A112 HydrophobicContact CE1-CB 3.62Å; F104-A112 HydrophobicContact CZ-CB 4.3Å; F104-I115 HydrophobicContact CE2-CD1 4.08Å; F104-I115 HydrophobicContact CE2-CG2 4.22Å; F104-I115 HydrophobicContact CZ-CB 4.12Å; F104-I115 HydrophobicContact CZ-CD1 4.21Å; F104-I115 HydrophobicContact CZ-CG2 3.94Å; F104-L116 HydrophobicContact CE1-CD1 4.25Å; F104-L116 HydrophobicContact CE1-CG 4.24Å; F104-L116 HydrophobicContact CZ-CG 4.43Å
105	Q	88.3	Confident	92	Very high	112 Å²	112	58.8 Å²	58.8	52%	0.523	30%	0.298	S	S	.	.	S	Bend	trans	-71.5	-41.3	-179.8	-69.9	173.8	86.4	0	0	113.1	L97 D103	L97-Q105 HydrophobicContact CD2-CG 4.35Å; D103-Q105 WeakPolarHBondContact OD1-CB 3.23Å; D103-Q105 WeakPolarHBondContact OD1-CG 3.48Å; D103-Q105 PolarHBondContact OD1-N 3.29Å; D103-Q105 PolarHBondContact OD1-NE2 3.29Å
106	D	88.1	Confident	91.8	Very high	95 Å²	95	57.9 Å²	57.9	51%	0.508	29%	0.294	S	S	.	.	S	Bend	trans	-121.8	36	179.6	-168	35.3	0	0	0	112.5	K68	K68-D106 VanDerWaalsContact CD-OD1 3.23Å; K68-D106 WeakPolarHBondContact CD-OD1 3.41Å; K68-D106 WeakPolarHBondContact CE-OD1 3.34Å; K68-D106 VanDerWaalsContact CG-OD1 3.31Å; K68-D106 WeakPolarHBondContact CG-OD1 3.48Å; K68-D106 IonicContact NZ-OD1 3.77Å; K68-D106 PolarHBondContact NZ-OD1 3.46Å; K68-D106 IonicContact NZ-OD2 2.73Å; K68-D106 PolarHBondContact NZ-OD2 2.77Å
107	I	90.7	Very high	91.5	Very high	16 Å²	16	64.3 Å²	64.3	8%	0.082	32%	0.322	C	S	.	.			trans	-90.3	145.4	-178.6	-161.2	168.5	0	0	0	111.9	G67 K68 I74 V102 F104 R111 A112 I115	G67-I107 WeakPolarHBondContact CA-O 3.39Å; K68-I107 PolarHBondContact N-O 3.31Å; I74-I107 HydrophobicContact CD1-CG2 4.2Å; I74-I107 HydrophobicContact CG1-CG2 3.6Å; V102-I107 HydrophobicContact CG1-CD1 4.36Å; F104-I107 HydrophobicContact CB-CG2 4.17Å; F104-I107 HydrophobicContact CD1-CG2 4.15Å; F104-I107 HydrophobicContact CD2-CD1 4.08Å; F104-I107 HydrophobicContact CE2-CD1 3.93Å; F104-I107 HydrophobicContact CG-CD1 4.47Å; F104-I107 HydrophobicContact CG-CG2 4.1Å; F104-I107 HydrophobicContact CZ-CD1 4.22Å; F104-I107 WeakPolarHBondContact O-CG2 3.46Å; I107-R111 HydrophobicContact CD1-CB 4.35Å; I107-R111 HydrophobicContact CD1-CG 4.01Å; I107-R111 HydrophobicContact CG1-CB 4.09Å; I107-R111 HydrophobicContact CG1-CG 4.12Å; I107-A112 HydrophobicContact CD1-CB 4.33Å; I107-A112 HydrophobicContact CG2-CB 3.94Å; I107-I115 HydrophobicContact CD1-CD1 3.71Å
108	E	92	Very high	91.1	Very high	85 Å²	85	68.3 Å²	68.3	40%	0.397	35%	0.347	S	S	.	.			trans	-66.3	141.2	168.4	-72.3	-60.9	156.7	0	0	111.3	K68 S110 R111 A112	K68-E108 WeakPolarHBondContact CD-OE1 3.49Å; E108-S110 VanDerWaalsContact C-N 3.32Å; E108-S110 PolarHBondContact O-N 3.43Å; E108-R111 HydrophobicContact CB-CB 4.21Å; E108-R111 PolarHBondContact O-N 3.25Å; E108-R111 VanDerWaalsContact O-N 3.14Å; E108-A112 PolarHBondContact O-N 3.43Å
109	H	91	Very high	90.6	Very high	80 Å²	80	67.6 Å²	67.6	37%	0.37	34%	0.343	S	S	.	.	H	α-helix	trans	-57.3	-45.3	-178.6	-179.2	-110.9	0	0	0	112.1	G66 R111 A112 V113	G66-H109 WeakPolarHBondContact O-CB 3.32Å; G66-H109 PolarHBondContact O-CD2 2.69Å; G66-H109 VanDerWaalsContact O-CD2 3.24Å; H109-R111 VanDerWaalsContact C-N 3.32Å; H109-R111 PolarHBondContact O-N 3.04Å; H109-A112 PolarHBondContact O-N 3.33Å; H109-V113 WeakPolarHBondContact O-CG2 3.46Å; H109-V113 PolarHBondContact O-N 3.3Å
110	S	91.6	Very high	90.2	Very high	86 Å²	86	78 Å²	78	60%	0.601	38%	0.382	S	S	*	.	H	α-helix	trans	-59.2	-42.8	178.3	52.4	0	0	0	0	112	E108 V113 E114	E108-S110 VanDerWaalsContact C-N 3.32Å; E108-S110 PolarHBondContact O-N 3.43Å; S110-V113 PolarHBondContact O-N 3.2Å; S110-E114 PolarHBondContact O-N 3.21Å
111	R	92.1	Very high	90.1	Very high	125 Å²	125	80.3 Å²	80.3	47%	0.472	39%	0.391	S	S	.	.	H	α-helix	trans	-68.7	-40.2	179.4	-174.9	58.9	176.8	177.6	0.1	111.9	I107 E108 H109 V113 E114 I115	I107-R111 HydrophobicContact CD1-CB 4.35Å; I107-R111 HydrophobicContact CD1-CG 4.01Å; I107-R111 HydrophobicContact CG1-CB 4.09Å; I107-R111 HydrophobicContact CG1-CG 4.12Å; E108-R111 HydrophobicContact CB-CB 4.21Å; E108-R111 PolarHBondContact O-N 3.25Å; E108-R111 VanDerWaalsContact O-N 3.14Å; H109-R111 VanDerWaalsContact C-N 3.32Å; H109-R111 PolarHBondContact O-N 3.04Å; R111-V113 VanDerWaalsContact C-N 3.33Å; R111-V113 PolarHBondContact O-N 3.44Å; R111-E114 WeakPolarHBondContact CD-OE2 3.44Å; R111-E114 IonicContact CZ-OE2 3.72Å; R111-E114 IonicContact NE-OE2 3.97Å; R111-E114 IonicContact NH1-OE1 3.96Å; R111-E114 PolarHBondContact NH1-OE1 3.14Å; R111-E114 IonicContact NH1-OE2 2.74Å; R111-E114 PolarHBondContact NH1-OE2 3.28Å; R111-E114 WeakPolarHBondContact O-CB 3.47Å; R111-E114 PolarHBondContact O-N 3.07Å; R111-I115 HydrophobicContact CG-CD1 4.11Å; R111-I115 WeakPolarHBondContact O-CG1 3.39Å; R111-I115 PolarHBondContact O-N 2.64Å
112	A	91.9	Very high	90.1	Very high	0 Å²	0	71.2 Å²	71.2	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-58.4	-45.6	173.5	0	0	0	0	0	111.6	I64 I74 F104 I107 E108 H109 E114 I115 L116	I64-A112 HydrophobicContact CD1-CB 4.16Å; I74-A112 HydrophobicContact CD1-CB 3.95Å; I74-A112 HydrophobicContact CG1-CB 4.16Å; F104-A112 HydrophobicContact CD1-CB 4.1Å; F104-A112 HydrophobicContact CE1-CB 3.62Å; F104-A112 HydrophobicContact CZ-CB 4.3Å; I107-A112 HydrophobicContact CD1-CB 4.33Å; I107-A112 HydrophobicContact CG2-CB 3.94Å; E108-A112 PolarHBondContact O-N 3.43Å; H109-A112 PolarHBondContact O-N 3.33Å; A112-E114 VanDerWaalsContact C-N 3.34Å; A112-E114 PolarHBondContact O-N 3Å; A112-I115 PolarHBondContact O-N 3.41Å; A112-L116 WeakPolarHBondContact O-CB 3.27Å; A112-L116 VanDerWaalsContact O-CG 3.31Å; A112-L116 WeakPolarHBondContact O-CG 3.46Å; A112-L116 PolarHBondContact O-N 3.41Å
113	V	90.9	Very high	90.2	Very high	36 Å²	36	72 Å²	72	22%	0.218	35%	0.351	C	S	.	.	H	α-helix	trans	-61.3	-42.2	176.5	173.9	0	0	0	0	111.5	I64 H109 S110 R111 K117	I64-V113 HydrophobicContact CD1-CG2 3.79Å; I64-V113 HydrophobicContact CG1-CG2 4.39Å; H109-V113 WeakPolarHBondContact O-CG2 3.46Å; H109-V113 PolarHBondContact O-N 3.3Å; S110-V113 PolarHBondContact O-N 3.2Å; R111-V113 VanDerWaalsContact C-N 3.33Å; R111-V113 PolarHBondContact O-N 3.44Å; V113-K117 HydrophobicContact CG1-CD 3.76Å; V113-K117 VanDerWaalsContact CG1-CE 3.47Å; V113-K117 HydrophobicContact CG1-CG 4.29Å; V113-K117 VanDerWaalsContact O-CB 3.31Å; V113-K117 WeakPolarHBondContact O-CB 3.1Å; V113-K117 VanDerWaalsContact O-CG 3.26Å; V113-K117 WeakPolarHBondContact O-CG 3.21Å; V113-K117 PolarHBondContact O-N 3.46Å
114	E	91.6	Very high	90.2	Very high	97 Å²	97	68.2 Å²	68.2	45%	0.453	33%	0.33	S	S	.	.	H	α-helix	trans	-61.7	-46.5	178.8	-170	-169.3	171.4	0	0	112.1	S110 R111 A112 K117 T118	S110-E114 PolarHBondContact O-N 3.21Å; R111-E114 WeakPolarHBondContact CD-OE2 3.44Å; R111-E114 IonicContact CZ-OE2 3.72Å; R111-E114 IonicContact NE-OE2 3.97Å; R111-E114 IonicContact NH1-OE1 3.96Å; R111-E114 PolarHBondContact NH1-OE1 3.14Å; R111-E114 IonicContact NH1-OE2 2.74Å; R111-E114 PolarHBondContact NH1-OE2 3.28Å; R111-E114 WeakPolarHBondContact O-CB 3.47Å; R111-E114 PolarHBondContact O-N 3.07Å; A112-E114 VanDerWaalsContact C-N 3.34Å; A112-E114 PolarHBondContact O-N 3Å; E114-K117 PolarHBondContact O-N 3.47Å; E114-T118 WeakPolarHBondContact O-CB 3.31Å; E114-T118 PolarHBondContact O-N 3.47Å; E114-T118 PolarHBondContact O-OG1 2.71Å
115	I	91.2	Very high	90.3	Very high	23 Å²	23	73.7 Å²	73.7	12%	0.118	35%	0.351	C	S	.	.	H	α-helix	trans	-62.4	-49.3	179.2	-68.1	167.1	0	0	0	110.4	V99 V102 F104 I107 R111 A112 K117 T118 A119	V99-I115 HydrophobicContact CG1-CG2 4.38Å; V102-I115 HydrophobicContact CB-CD1 4.42Å; V102-I115 HydrophobicContact CG1-CD1 3.88Å; V102-I115 HydrophobicContact CG2-CD1 4.5Å; F104-I115 HydrophobicContact CE2-CD1 4.08Å; F104-I115 HydrophobicContact CE2-CG2 4.22Å; F104-I115 HydrophobicContact CZ-CB 4.12Å; F104-I115 HydrophobicContact CZ-CD1 4.21Å; F104-I115 HydrophobicContact CZ-CG2 3.94Å; I107-I115 HydrophobicContact CD1-CD1 3.71Å; R111-I115 HydrophobicContact CG-CD1 4.11Å; R111-I115 WeakPolarHBondContact O-CG1 3.39Å; R111-I115 PolarHBondContact O-N 2.64Å; A112-I115 PolarHBondContact O-N 3.41Å; I115-K117 VanDerWaalsContact C-N 3.29Å; I115-K117 PolarHBondContact O-N 3.23Å; I115-T118 PolarHBondContact O-N 3.48Å; I115-A119 WeakPolarHBondContact O-CB 3.26Å; I115-A119 PolarHBondContact O-N 3.06Å
116	L	89.9	Confident	90.6	Very high	6 Å²	6	68.3 Å²	68.3	3%	0.031	33%	0.326	C	S	.	.	H	α-helix	trans	-64.3	-32.6	179.9	-71	170.7	0	0	0	112.5	L60 F62 I64 V99 F104 A112 I122 M124	L60-L116 HydrophobicContact CD1-CB 3.83Å; F62-L116 HydrophobicContact CE2-CD1 4.3Å; F62-L116 HydrophobicContact CZ-CD1 4.48Å; F62-L116 HydrophobicContact CZ-CD2 4.28Å; I64-L116 HydrophobicContact CD1-CD1 3.98Å; I64-L116 HydrophobicContact CG2-CD1 4.08Å; V99-L116 HydrophobicContact CG1-CD2 4.1Å; V99-L116 HydrophobicContact CG2-CD2 4.14Å; F104-L116 HydrophobicContact CE1-CD1 4.25Å; F104-L116 HydrophobicContact CE1-CG 4.24Å; F104-L116 HydrophobicContact CZ-CG 4.43Å; A112-L116 WeakPolarHBondContact O-CB 3.27Å; A112-L116 VanDerWaalsContact O-CG 3.31Å; A112-L116 WeakPolarHBondContact O-CG 3.46Å; A112-L116 PolarHBondContact O-N 3.41Å; L116-I122 HydrophobicContact CD2-CD1 4.15Å; L116-I122 HydrophobicContact CD2-CG2 3.94Å; L116-M124 HydrophobicContact CD2-CE 4.33Å
117	K	87.1	Confident	90.9	Very high	138 Å²	138	67.4 Å²	67.4	60%	0.6	32%	0.315	S	S	*	.	H	α-helix	trans	-75.4	-36	176.9	-78	179.1	178.3	176	0	112.9	K54 V113 E114 I115	K54-K117 PolarHBondContact NZ-O 2.87Å; V113-K117 HydrophobicContact CG1-CD 3.76Å; V113-K117 VanDerWaalsContact CG1-CE 3.47Å; V113-K117 HydrophobicContact CG1-CG 4.29Å; V113-K117 VanDerWaalsContact O-CB 3.31Å; V113-K117 WeakPolarHBondContact O-CB 3.1Å; V113-K117 VanDerWaalsContact O-CG 3.26Å; V113-K117 WeakPolarHBondContact O-CG 3.21Å; V113-K117 PolarHBondContact O-N 3.46Å; E114-K117 PolarHBondContact O-N 3.47Å; I115-K117 VanDerWaalsContact C-N 3.29Å; I115-K117 PolarHBondContact O-N 3.23Å
118	T	86.4	Confident	90.9	Very high	109 Å²	109	68.5 Å²	68.5	67%	0.669	32%	0.319	S	S	*	.	H	α-helix	trans	-80.1	-31.6	-175.1	-55.5	0	0	0	0	112.4	E114 I115	E114-T118 WeakPolarHBondContact O-CB 3.31Å; E114-T118 PolarHBondContact O-N 3.47Å; E114-T118 PolarHBondContact O-OG1 2.71Å; I115-T118 PolarHBondContact O-N 3.48Å
119	A	85.1	Confident	90.6	Very high	16 Å²	16	66.9 Å²	66.9	13%	0.132	31%	0.311	C	S	.	.			trans	-67.9	131.1	-179.9	0	0	0	0	0	112.6	K54 I115 I122	K54-A119 WeakPolarHBondContact CD-O 3.48Å; I115-A119 WeakPolarHBondContact O-CB 3.26Å; I115-A119 PolarHBondContact O-N 3.06Å; A119-I122 HydrophobicContact CB-CD1 4.42Å; A119-I122 HydrophobicContact CB-CG1 3.7Å
120	R	85.1	Confident	90.1	Very high	219 Å²	219	64.3 Å²	64.3	83%	0.826	30%	0.302	S	S	*	.	S	Bend	trans	-83.2	-34.4	169.7	-75.6	-176.3	176.6	175.7	-0.9	112.2	K54	K54-R120 WeakPolarHBondContact CB-O 3.24Å; K54-R120 PolarHBondContact N-O 2.81Å
121	E	89.3	Confident	89.3	Confident	108 Å²	108	68.2 Å²	68.2	51%	0.505	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	131.9	172.8	-174.8	164.5	-140.7	0	0	107.8	V51 L52 N100	V51-E121 HydrophobicContact CG1-CG 4.24Å; L52-E121 WeakPolarHBondContact O-CA 3.47Å; N100-E121 PolarHBondContact ND2-O 3.49Å; N100-E121 PolarHBondContact OD1-O 2.93Å
122	I	91.1	Very high	88.3	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	99.1	-173.3	-57.5	176.7	0	0	0	106.7	L52 L60 V99 L116 A119 M124	L52-I122 HydrophobicContact CB-CB 4.22Å; L52-I122 PolarHBondContact N-O 2.96Å; L52-I122 PolarHBondContact O-N 2.77Å; L60-I122 HydrophobicContact CD2-CD1 3.42Å; L60-I122 VanDerWaalsContact CD2-CD1 3.42Å; V99-I122 HydrophobicContact CG1-CG2 3.54Å; L116-I122 HydrophobicContact CD2-CD1 4.15Å; L116-I122 HydrophobicContact CD2-CG2 3.94Å; A119-I122 HydrophobicContact CB-CD1 4.42Å; A119-I122 HydrophobicContact CB-CG1 3.7Å; I122-M124 HydrophobicContact CB-CE 4.4Å; I122-M124 HydrophobicContact CG2-CB 4.35Å; I122-M124 HydrophobicContact CG2-CE 3.31Å
123	L	93.6	Very high	87.4	Confident	79 Å²	79	65.5 Å²	65.5	41%	0.414	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	107.6	166.6	-179.6	72.2	0	0	0	107.2	T49 V51 V99 N100	T49-L123 HydrophobicContact CG2-CD1 3.38Å; T49-L123 HydrophobicContact CG2-CG 4.18Å; V51-L123 HydrophobicContact CG2-CD1 3.63Å; V99-L123 CarbonylContact C-O 3.52Å; V99-L123 WeakPolarHBondContact CA-O 3Å; N100-L123 PolarHBondContact N-O 2.58Å; N100-L123 PolarHBondContact OD1-N 3.47Å
124	M	93.9	Very high	86.6	Confident	2 Å²	2	68.8 Å²	68.8	1%	0.01	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	142.5	179.2	65.2	174.9	75.6	0	0	111.9	T49 I50 L52 F62 L90 S98 V99 L116 I122 V126	T49-M124 WeakPolarHBondContact CA-O 3.48Å; I50-M124 HydrophobicContact CD1-CG 3.73Å; I50-M124 HydrophobicContact CD1-SD 3.57Å; I50-M124 VanDerWaalsContact CD1-SD 3.57Å; I50-M124 HydrophobicContact CG1-CG 3.21Å; I50-M124 HydrophobicContact CG1-SD 3.81Å; I50-M124 PolarHBondContact N-O 3.08Å; I50-M124 PolarHBondContact O-N 3.43Å; L52-M124 HydrophobicContact CD1-CE 3.53Å; L52-M124 HydrophobicContact CD1-SD 4.48Å; L52-M124 HydrophobicContact CG-CE 4.34Å; F62-M124 HydrophobicContact CE1-CE 4.22Å; F62-M124 HydrophobicContact CZ-CE 3.85Å; L90-M124 HydrophobicContact CD1-SD 4.41Å; S98-M124 CarbonylContact O-C 3.56Å; S98-M124 WeakPolarHBondContact O-CA 3.37Å; S98-M124 WeakPolarHBondContact O-CB 3.5Å; V99-M124 HydrophobicContact CG2-CB 3.91Å; L116-M124 HydrophobicContact CD2-CE 4.33Å; I122-M124 HydrophobicContact CB-CE 4.4Å; I122-M124 HydrophobicContact CG2-CB 4.35Å; I122-M124 HydrophobicContact CG2-CE 3.31Å; M124-V126 HydrophobicContact CB-CG1 4.44Å; M124-V126 HydrophobicContact CG-CG1 3.9Å; M124-V126 HydrophobicContact SD-CG1 3.72Å
125	R	95.2	Very high	85.4	Confident	115 Å²	115	72.6 Å²	72.6	43%	0.434	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	117.6	170.8	-166.5	-179.8	175.5	102.6	-2.4	107.9	P47 R48 L97 S98	P47-R125 HydrophobicContact CB-CG 4.17Å; R48-R125 CarbonylContact O-C 3.5Å; R48-R125 WeakPolarHBondContact O-CA 3.17Å; L97-R125 HydrophobicContact CB-CB 4.49Å; L97-R125 WeakPolarHBondContact CB-O 3.5Å; L97-R125 HydrophobicContact CD1-CG 4.42Å; L97-R125 PolarHBondContact N-O 3.04Å; S98-R125 PolarHBondContact N-O 3.43Å; S98-R125 PolarHBondContact O-N 3.37Å; S98-R125 WeakPolarHBondContact OG-CB 3.47Å
126	V	94.9	Very high	84.2	Confident	0 Å²	0	71.8 Å²	71.8	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	155.4	-176.4	-59.9	0	0	0	0	110.9	P47 R48 I50 L90 D94 Q95 V96 M124	P47-V126 CarbonylContact C-O 3.37Å; P47-V126 VanDerWaalsContact CA-O 3.28Å; P47-V126 WeakPolarHBondContact CA-O 3.35Å; R48-V126 HydrophobicContact CG-CG2 3.59Å; R48-V126 PolarHBondContact N-O 2.8Å; R48-V126 PolarHBondContact O-N 2.81Å; I50-V126 HydrophobicContact CG1-CG2 4.42Å; I50-V126 HydrophobicContact CG2-CG2 4.35Å; L90-V126 HydrophobicContact CD1-CG1 4.13Å; L90-V126 HydrophobicContact CD1-CG2 4.45Å; D94-V126 HydrophobicContact CB-CB 4.36Å; Q95-V126 CarbonylContact O-C 3.47Å; Q95-V126 WeakPolarHBondContact O-CA 3.41Å; V96-V126 HydrophobicContact CG2-CG1 4.35Å; M124-V126 HydrophobicContact CB-CG1 4.44Å; M124-V126 HydrophobicContact CG-CG1 3.9Å; M124-V126 HydrophobicContact SD-CG1 3.72Å
127	R	93.3	Very high	83	Confident	76 Å²	76	76.7 Å²	76.7	29%	0.287	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	129	173.9	-170.7	-178.6	96.8	-178.8	3.3	109.4	F45 D94 Q95 L97 F129	F45-R127 WeakPolarHBondContact O-CD 3.49Å; F45-R127 WeakPolarHBondContact O-CG 3.45Å; D94-R127 WeakPolarHBondContact CA-O 3.43Å; Q95-R127 PolarHBondContact N-O 3.15Å; Q95-R127 PolarHBondContact O-N 3.34Å; L97-R127 HydrophobicContact CD1-CB 4.21Å; R127-F129 VanDerWaalsContact NH2-CG 3.33Å; R127-F129 VanDerWaalsContact NH2-CZ 3.3Å; R127-F129 PolarHBondContact O-N 3.26Å; R127-F129 VanDerWaalsContact O-N 3.16Å
128	F	91.5	Very high	81.9	Confident	39 Å²	39	76.2 Å²	76.2	17%	0.171	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	116.9	172.9	-177	-127.6	0	0	0	109.9	Q44 F45 Q91 D94 P130	Q44-F128 WeakPolarHBondContact O-CB 3.13Å; F45-F128 HydrophobicContact CD1-CD1 4.16Å; F45-F128 HydrophobicContact CE1-CD1 4.05Å; F45-F128 HydrophobicContact CE1-CE1 4.36Å; Q91-F128 HydrophobicContact CG-CD2 4.15Å; Q91-F128 HydrophobicContact CG-CE2 4.34Å; Q91-F128 VanDerWaalsContact NE2-CE2 3.3Å; Q91-F128 VanDerWaalsContact NE2-CG 3.3Å; D94-F128 VanDerWaalsContact OD1-CA 3.23Å; D94-F128 WeakPolarHBondContact OD1-CA 3.3Å; D94-F128 WeakPolarHBondContact OD1-CB 3.07Å; D94-F128 WeakPolarHBondContact OD1-CD2 3.39Å; F128-P130 HydrophobicContact CD1-CG 4.33Å; F128-P130 HydrophobicContact CE1-CB 4.42Å; F128-P130 HydrophobicContact CE1-CG 3.7Å; F128-P130 HydrophobicContact CE2-CB 4.05Å; F128-P130 HydrophobicContact CE2-CG 4.14Å; F128-P130 HydrophobicContact CZ-CB 3.81Å; F128-P130 HydrophobicContact CZ-CG 3.6Å
129	F	86.4	Confident	80.7	Confident	50 Å²	50	79.7 Å²	79.7	22%	0.219	34%	0.339	C	S	.	.			trans	-142.3	71.9	-178.9	-150.9	-125.1	0	0	0	112.5	F75 G93 R127 Y131 N132 Y133	F75-F129 HydrophobicContact CE1-CB 4.49Å; G93-F129 CarbonylContact O-C 3.58Å; G93-F129 PolarHBondContact O-N 3.26Å; R127-F129 VanDerWaalsContact NH2-CG 3.33Å; R127-F129 VanDerWaalsContact NH2-CZ 3.3Å; R127-F129 PolarHBondContact O-N 3.26Å; R127-F129 VanDerWaalsContact O-N 3.16Å; F129-Y131 VanDerWaalsContact C-N 3.33Å; F129-Y131 PolarHBondContact O-N 3.03Å; F129-N132 HydrophobicContact CD1-CB 3.59Å; F129-N132 VanDerWaalsContact CD1-CG 3.44Å; F129-N132 WeakPolarHBondContact CD1-ND2 3.12Å; F129-N132 HydrophobicContact CE1-CB 3.89Å; F129-N132 WeakPolarHBondContact CE1-ND2 3.3Å; F129-N132 WeakPolarHBondContact CE1-OD1 3.44Å; F129-Y133 PolarHBondContact O-N 3.15Å
130	P	80	Confident	79.2	Confident	27 Å²	27	84 Å²	84	18%	0.175	36%	0.364	C	S	.	.	H	α-helix	trans	-65.8	-30.8	-170.1	26	-35.4	0	0	0	113.6	F128 Y133 Q134	F128-P130 HydrophobicContact CD1-CG 4.33Å; F128-P130 HydrophobicContact CE1-CB 4.42Å; F128-P130 HydrophobicContact CE1-CG 3.7Å; F128-P130 HydrophobicContact CE2-CB 4.05Å; F128-P130 HydrophobicContact CE2-CG 4.14Å; F128-P130 HydrophobicContact CZ-CB 3.81Å; F128-P130 HydrophobicContact CZ-CG 3.6Å; P130-Y133 WeakPolarHBondContact O-CB 3.14Å; P130-Y133 PolarHBondContact O-N 3.22Å; P130-Q134 WeakPolarHBondContact O-CG 3.31Å; P130-Q134 PolarHBondContact O-N 2.82Å
131	Y	74.1	Confident	77.6	Confident	167 Å²	167	78.7 Å²	78.7	66%	0.655	36%	0.356	S	S	*	.	H	α-helix	trans	-64.1	-46.4	-178.6	-76.6	-77.6	0	0	0	113.3	F129 Y133 Q134 R135	F129-Y131 VanDerWaalsContact C-N 3.33Å; F129-Y131 PolarHBondContact O-N 3.03Å; Y131-Y133 VanDerWaalsContact C-N 3.29Å; Y131-Y133 PolarHBondContact O-N 2.9Å; Y131-Q134 PolarHBondContact O-N 3.09Å; Y131-R135 PolarHBondContact O-N 3.04Å
132	N	71.3	Confident	75.3	Confident	54 Å²	54	85.4 Å²	85.4	29%	0.289	39%	0.386	S	S	.	.	H	α-helix	trans	-69.1	-33.9	176.6	-81.2	6.4	0	0	0	111.8	F75 F129 R135 Q136	F75-N132 HydrophobicContact CE1-CB 4.01Å; F75-N132 HydrophobicContact CZ-CB 3.7Å; F129-N132 HydrophobicContact CD1-CB 3.59Å; F129-N132 VanDerWaalsContact CD1-CG 3.44Å; F129-N132 WeakPolarHBondContact CD1-ND2 3.12Å; F129-N132 HydrophobicContact CE1-CB 3.89Å; F129-N132 WeakPolarHBondContact CE1-ND2 3.3Å; F129-N132 WeakPolarHBondContact CE1-OD1 3.44Å; N132-R135 PolarHBondContact O-N 2.99Å; N132-Q136 PolarHBondContact O-N 3.32Å
133	Y	73.8	Confident	74.5	Confident	14 Å²	14	89.7 Å²	89.7	6%	0.055	41%	0.406	C	S	.	.	H	α-helix	trans	-60.5	-45.7	175.6	178.8	-96.5	0	0	0	111.4	R65 F75 I76 S77 E92 F129 P130 Y131 Q136 K137	R65-Y133 VanDerWaalsContact NH2-CD1 3.27Å; R65-Y133 PolarHBondContact NH2-O 3.11Å; R65-Y133 PolarHBondContact NH2-OH 2.72Å; F75-Y133 HydrophobicContact CB-CD2 3.8Å; F75-Y133 HydrophobicContact CB-CE2 4.34Å; F75-Y133 HydrophobicContact CD1-CD2 4.27Å; F75-Y133 HydrophobicContact CG-CD2 4.27Å; I76-Y133 WeakPolarHBondContact O-CE2 3.39Å; S77-Y133 VanDerWaalsContact CA-OH 3.3Å; S77-Y133 WeakPolarHBondContact CA-OH 3.43Å; S77-Y133 PolarHBondContact O-OH 3.15Å; S77-Y133 VanDerWaalsContact O-OH 3.08Å; E92-Y133 VanDerWaalsContact CD-OH 3.22Å; E92-Y133 HydrophobicContact CG-CD1 4.39Å; E92-Y133 HydrophobicContact CG-CE1 3.46Å; E92-Y133 VanDerWaalsContact CG-CE1 3.46Å; E92-Y133 HydrophobicContact CG-CE2 4.06Å; E92-Y133 VanDerWaalsContact CG-OH 3.24Å; E92-Y133 WeakPolarHBondContact CG-OH 3.36Å; E92-Y133 WeakPolarHBondContact OE1-CE1 3.3Å; E92-Y133 PolarHBondContact OE1-OH 2.91Å; F129-Y133 PolarHBondContact O-N 3.15Å; P130-Y133 WeakPolarHBondContact O-CB 3.14Å; P130-Y133 PolarHBondContact O-N 3.22Å; Y131-Y133 VanDerWaalsContact C-N 3.29Å; Y131-Y133 PolarHBondContact O-N 2.9Å; Y133-Q136 WeakPolarHBondContact O-CB 3.44Å; Y133-Q136 PolarHBondContact O-N 3Å; Y133-K137 HydrophobicContact CE1-CD 4.43Å; Y133-K137 PolarHBondContact O-N 3.21Å
134	Q	73.6	Confident	73.5	Confident	105 Å²	105	90.2 Å²	90.2	49%	0.491	41%	0.405	S	S	.	.	H	α-helix	trans	-60.3	-48.4	176.8	-74.2	171.3	-6.6	0	0	112	P130 Y131 Q136 K137 E138	P130-Q134 WeakPolarHBondContact O-CG 3.31Å; P130-Q134 PolarHBondContact O-N 2.82Å; Y131-Q134 PolarHBondContact O-N 3.09Å; Q134-Q136 PolarHBondContact O-N 3.22Å; Q134-K137 WeakPolarHBondContact O-CA 3.41Å; Q134-K137 VanDerWaalsContact O-CB 3.3Å; Q134-K137 WeakPolarHBondContact O-CB 3.24Å; Q134-K137 PolarHBondContact O-N 3.29Å; Q134-E138 PolarHBondContact O-N 3.44Å
135	R	67.5	Low	72.3	Confident	178 Å²	178	95.1 Å²	95.1	67%	0.672	43%	0.427	S	S	*	.	H	α-helix	trans	-56.1	-37.5	175.5	-72.4	-171.2	174.5	-145	-1.7	113.1	Y131 N132 R139	Y131-R135 PolarHBondContact O-N 3.04Å; N132-R135 PolarHBondContact O-N 2.99Å; R135-R139 WeakPolarHBondContact O-CG 3.5Å; R135-R139 PolarHBondContact O-N 3.32Å
136	Q	64.6	Low	71	Confident	6 Å²	6	93.9 Å²	93.9	3%	0.028	43%	0.427	C	S	.	.	H	α-helix	trans	-68.3	-38.8	175.4	-164.4	169.5	32.9	0	0	112.1	L72 N132 Y133 Q134 R139 T140	L72-Q136 HydrophobicContact CD1-CB 3.76Å; L72-Q136 HydrophobicContact CD1-CG 3.63Å; N132-Q136 PolarHBondContact O-N 3.32Å; Y133-Q136 WeakPolarHBondContact O-CB 3.44Å; Y133-Q136 PolarHBondContact O-N 3Å; Q134-Q136 PolarHBondContact O-N 3.22Å; Q136-R139 PolarHBondContact O-N 3.16Å; Q136-T140 PolarHBondContact O-OG1 3Å
137	K	65.6	Low	69.5	Low	108 Å²	108	99.8 Å²	99.8	47%	0.47	45%	0.453	S	S	.	.	H	α-helix	trans	-61.5	-46.6	178	-157.2	164.8	-178.2	171.2	0	110.7	R65 E92 Y133 Q134 R139 T140 V141	R65-K137 VanDerWaalsContact NH1-CB 3.29Å; E92-K137 IonicContact OE1-NZ 3.37Å; E92-K137 PolarHBondContact OE1-NZ 3.28Å; Y133-K137 HydrophobicContact CE1-CD 4.43Å; Y133-K137 PolarHBondContact O-N 3.21Å; Q134-K137 WeakPolarHBondContact O-CA 3.41Å; Q134-K137 VanDerWaalsContact O-CB 3.3Å; Q134-K137 WeakPolarHBondContact O-CB 3.24Å; Q134-K137 PolarHBondContact O-N 3.29Å; K137-R139 PolarHBondContact O-N 3.49Å; K137-T140 PolarHBondContact O-N 3.14Å; K137-V141 WeakPolarHBondContact O-CG2 3.49Å
138	E	64	Low	67.9	Low	128 Å²	128	101.4 Å²	101.4	60%	0.598	47%	0.465	S	S	*	.	H	α-helix	trans	-64	-37.3	-178.8	-68.4	165.5	178.1	0	0	113	Q134 T140	Q134-E138 PolarHBondContact O-N 3.44Å; E138-T140 PolarHBondContact O-N 3.44Å
139	R	60.1	Low	66.2	Low	182 Å²	182	105.9 Å²	105.9	69%	0.687	49%	0.486	S	S	*	.	H	α-helix	trans	-68.3	-18.9	178.5	-78.8	-177.4	169.5	-145.4	-3.6	115	R135 Q136 K137	R135-R139 WeakPolarHBondContact O-CG 3.5Å; R135-R139 PolarHBondContact O-N 3.32Å; Q136-R139 PolarHBondContact O-N 3.16Å; K137-R139 PolarHBondContact O-N 3.49Å
140	T	54.8	Low	64.7	Low	108 Å²	108	110.2 Å²	110.2	66%	0.663	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.9	6.9	-174.2	-22.8	0	0	0	0	112.6	Q136 K137 E138	Q136-T140 PolarHBondContact O-OG1 3Å; K137-T140 PolarHBondContact O-N 3.14Å; E138-T140 PolarHBondContact O-N 3.44Å
141	V	51.7	Low	63.4	Low	107 Å²	107	117.1 Å²	117.1	65%	0.648	53%	0.534	S	S	*	.			trans	-99.2	24.8	-175.6	-154.1	0	0	0	0	112.7	K137	K137-V141 WeakPolarHBondContact O-CG2 3.49Å
142	H	39.3	Very low	62.4	Low	248 Å²	248	112.5 Å²	112.5	100%	1.148	52%	0.523	S	S	*	.			trans	-121.6	0	177.6	-68.3	-7.1	0	0	0	111

Retrieved 142 of 142 residues in 668.4 ms (Link to these results)

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