A0A3Q0KI18_SCHMA Loading...

SUI1 domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KI18, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 178 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	45.8	Very low	60.7	Low	229 Å²	229	173.8 Å²	173.8	100%	1.128	86%	0.856	S	S	*	*				0	89.9	0	-78.2	155.9	169.4	0	0	107	E3	M1-E3 PolarHBondContact O-N 3.09Å
2	T	53.2	Low	60.8	Low	147 Å²	147	178 Å²	178	90%	0.902	86%	0.856	S	S	*	*			trans	-86.1	85.6	168.6	35.1	0	0	0	0	106.6
3	E	56.7	Low	61	Low	170 Å²	170	171.8 Å²	171.8	79%	0.794	84%	0.838	S	S	*	*			trans	-69.6	128.7	173	-73.5	173.5	143.6	0	0	108.7	M1 Y5	M1-E3 PolarHBondContact O-N 3.09Å; E3-Y5 PolarHBondContact O-N 3.15Å; E3-Y5 VanDerWaalsContact O-N 3.15Å
4	N	62.7	Low	61.3	Low	162 Å²	162	167.4 Å²	167.4	87%	0.866	82%	0.82	S	S	*	*			trans	-52.7	115.9	177.3	-76.3	-51.5	0	0	0	110	E6	N4-E6 PolarHBondContact O-N 3.2Å
5	Y	62.5	Low	61.7	Low	205 Å²	205	164.3 Å²	164.3	80%	0.804	82%	0.818	S	S	*	*			trans	-77.8	100.7	162.1	59.4	-86	0	0	0	107.1	E3 Y7	E3-Y5 PolarHBondContact O-N 3.15Å; E3-Y5 VanDerWaalsContact O-N 3.15Å; Y5-Y7 HydrophobicContact CD2-CD2 4.41Å; Y5-Y7 PolarHBondContact O-N 3.21Å
6	E	66.5	Low	62.1	Low	182 Å²	182	163.9 Å²	163.9	85%	0.85	82%	0.82	S	S	*	*			trans	-81.7	111.4	170.3	-153.4	165.4	-177.8	0	0	107.3	N4 M8	N4-E6 PolarHBondContact O-N 3.2Å; E6-M8 PolarHBondContact O-N 3.17Å; E6-M8 VanDerWaalsContact O-N 3.12Å
7	Y	65.7	Low	62.5	Low	198 Å²	198	157.4 Å²	157.4	78%	0.776	79%	0.791	S	S	*	*			trans	-63.6	113.6	178.8	-129.4	-87.6	0	0	0	108.1	Y5	Y5-Y7 HydrophobicContact CD2-CD2 4.41Å; Y5-Y7 PolarHBondContact O-N 3.21Å
8	M	63.6	Low	62.9	Low	169 Å²	169	158.9 Å²	158.9	83%	0.833	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-56.2	129.7	171.4	-86.7	-177.6	158	0	0	109	E6 R10	E6-M8 PolarHBondContact O-N 3.17Å; E6-M8 VanDerWaalsContact O-N 3.12Å; M8-R10 PolarHBondContact O-N 2.93Å
9	P	62.3	Low	63.1	Low	121 Å²	121	157.7 Å²	157.7	79%	0.786	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-58.3	134.7	175.7	23.2	-31.1	0	0	0	108.9	A11	P9-A11 PolarHBondContact O-N 3.36Å
10	R	62.6	Low	63.6	Low	231 Å²	231	155.7 Å²	155.7	87%	0.872	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-55.3	128.2	176.1	-60.2	-171.7	-159.6	-175.9	6	107.9	M8 R12	M8-R10 PolarHBondContact O-N 2.93Å; R10-R12 PolarHBondContact O-N 3.28Å
11	A	66.2	Low	63.8	Low	98 Å²	98	153.1 Å²	153.1	81%	0.81	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-49.1	125	174.3	0	0	0	0	0	108.7	P9	P9-A11 PolarHBondContact O-N 3.36Å
12	R	62.4	Low	65.1	Low	224 Å²	224	148 Å²	148	85%	0.845	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-63	142	174.7	-72.1	-173.4	-80.6	-148	-2.5	107.5	R10 D14	R10-R12 PolarHBondContact O-N 3.28Å; R12-D14 PolarHBondContact O-N 3.11Å
13	P	63.6	Low	66.2	Low	97 Å²	97	144.8 Å²	144.8	63%	0.63	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-53.8	125.8	172.4	-21.3	31.7	0	0	0	108.9	Y19	P13-Y19 HydrophobicContact CB-CE2 4.03Å
14	D	65.2	Low	67.1	Low	110 Å²	110	141.8 Å²	141.8	59%	0.588	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-62.7	131.6	173.3	-81.4	-47.9	0	0	0	108.5	R12 D16 V17	R12-D14 PolarHBondContact O-N 3.11Å; D14-D16 PolarHBondContact O-N 3.42Å; D14-D16 VanDerWaalsContact O-N 3.09Å; D14-V17 HydrophobicContact CB-CG2 4.11Å; D14-V17 PolarHBondContact O-N 3.39Å; D14-V17 VanDerWaalsContact O-N 3.15Å
15	P	67.4	Low	67.9	Low	121 Å²	121	140.3 Å²	140.3	79%	0.786	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.7	-16.5	-172.2	25.4	-34.1	0	0	0	113.7
16	D	67.3	Low	68.8	Low	159 Å²	159	130.7 Å²	130.7	85%	0.85	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.3	-0.6	-179	-65.4	-33.1	0	0	0	113.6	D14	D14-D16 PolarHBondContact O-N 3.42Å; D14-D16 VanDerWaalsContact O-N 3.09Å
17	V	68.3	Low	69.5	Low	53 Å²	53	124.3 Å²	124.3	32%	0.321	64%	0.64	S	S	.	*			trans	-108.6	109.9	-179	-176.6	0	0	0	0	110.2	D14 Y19 L21	D14-V17 HydrophobicContact CB-CG2 4.11Å; D14-V17 PolarHBondContact O-N 3.39Å; D14-V17 VanDerWaalsContact O-N 3.15Å; V17-Y19 HydrophobicContact CB-CE2 4.22Å; V17-Y19 HydrophobicContact CG1-CD2 4.48Å; V17-Y19 HydrophobicContact CG1-CE1 4.26Å; V17-Y19 HydrophobicContact CG1-CE2 4.05Å; V17-Y19 WeakPolarHBondContact O-CD2 3.46Å; V17-Y19 WeakPolarHBondContact O-CE2 3.35Å; V17-L21 HydrophobicContact CG1-CD2 3.55Å; V17-L21 HydrophobicContact CG1-CG 4.19Å
18	E	69.8	Low	70.2	Confident	185 Å²	185	119.4 Å²	119.4	86%	0.864	62%	0.624	S	S	*	*	P	Polyproline II helix	trans	-83.4	116.6	173.6	-149.9	172.9	-161.9	0	0	109.6
19	Y	67.1	Low	70.8	Confident	135 Å²	135	112.3 Å²	112.3	53%	0.529	59%	0.591	S	S	.	*	S	Bend	trans	-87.5	141.2	176.5	-63.8	-89.9	0	0	0	109.5	P13 V17 L21	P13-Y19 HydrophobicContact CB-CE2 4.03Å; V17-Y19 HydrophobicContact CB-CE2 4.22Å; V17-Y19 HydrophobicContact CG1-CD2 4.48Å; V17-Y19 HydrophobicContact CG1-CE1 4.26Å; V17-Y19 HydrophobicContact CG1-CE2 4.05Å; V17-Y19 WeakPolarHBondContact O-CD2 3.46Å; V17-Y19 WeakPolarHBondContact O-CE2 3.35Å; Y19-L21 HydrophobicContact CD1-CD1 4.33Å; Y19-L21 HydrophobicContact CD1-CG 4.13Å; Y19-L21 HydrophobicContact CE1-CD1 3.92Å; Y19-L21 HydrophobicContact CE1-CG 4.14Å
20	P	72.8	Confident	71.6	Confident	117 Å²	117	111.8 Å²	111.8	76%	0.76	59%	0.585	S	S	*	*	S	Bend	cis	-86.3	136.1	13.8	32	-34	0	0	0	114.6	T22	P20-T22 PolarHBondContact O-N 2.83Å
21	L	69.4	Low	72.5	Confident	102 Å²	102	105 Å²	105	53%	0.534	56%	0.564	S	S	.	*	P	Polyproline II helix	trans	-61.9	120.1	172.2	-72.5	167.8	0	0	0	110.4	V17 Y19 I23	V17-L21 HydrophobicContact CG1-CD2 3.55Å; V17-L21 HydrophobicContact CG1-CG 4.19Å; Y19-L21 HydrophobicContact CD1-CD1 4.33Å; Y19-L21 HydrophobicContact CD1-CG 4.13Å; Y19-L21 HydrophobicContact CE1-CD1 3.92Å; Y19-L21 HydrophobicContact CE1-CG 4.14Å; L21-I23 HydrophobicContact CB-CG1 4.19Å; L21-I23 PolarHBondContact O-N 3.05Å; L21-I23 VanDerWaalsContact O-N 3.13Å
22	T	72.3	Confident	73.2	Confident	122 Å²	122	101.5 Å²	101.5	75%	0.748	53%	0.534	S	S	*	.			trans	-83.6	86.9	172.9	-60.5	0	0	0	0	109.1	P20	P20-T22 PolarHBondContact O-N 2.83Å
23	I	75.3	Confident	73.9	Confident	80 Å²	80	91.4 Å²	91.4	41%	0.41	50%	0.496	S	S	.	.	P	Polyproline II helix	trans	-79.6	127.9	178.5	-55.5	169.8	0	0	0	108.8	L21 Y25 P32	L21-I23 HydrophobicContact CB-CG1 4.19Å; L21-I23 PolarHBondContact O-N 3.05Å; L21-I23 VanDerWaalsContact O-N 3.13Å; I23-Y25 HydrophobicContact CB-CE2 4.1Å; I23-Y25 HydrophobicContact CG2-CE1 4.4Å; I23-Y25 HydrophobicContact CG2-CE2 4.29Å; I23-Y25 WeakPolarHBondContact O-CD2 3.38Å; I23-Y25 WeakPolarHBondContact O-CE2 3.37Å; I23-P32 HydrophobicContact CG2-CB 3.73Å; I23-P32 HydrophobicContact CG2-CG 4.1Å
24	K	76.6	Confident	74.6	Confident	106 Å²	106	92.4 Å²	92.4	46%	0.461	49%	0.493	S	S	.	.	P	Polyproline II helix	trans	-80.7	128.7	169.5	-58.4	-63.6	-177.2	176.9	0	108.5	L33 L53	K24-L33 HydrophobicContact CB-CD1 3.74Å; K24-L33 HydrophobicContact CB-CG 4.06Å; K24-L33 WeakPolarHBondContact O-CG 3.46Å; K24-L33 PolarHBondContact O-N 3.41Å; K24-L53 HydrophobicContact CD-CD2 4.35Å; K24-L53 HydrophobicContact CG-CD2 4.28Å
25	Y	80.2	Confident	75.3	Confident	132 Å²	132	93 Å²	93	52%	0.518	49%	0.488	S	S	.	.	B	Isolated β-bridge	trans	-102.8	141.8	176.8	-65.4	-88.6	0	0	0	109.6	I23 T30 P32 W48	I23-Y25 HydrophobicContact CB-CE2 4.1Å; I23-Y25 HydrophobicContact CG2-CE1 4.4Å; I23-Y25 HydrophobicContact CG2-CE2 4.29Å; I23-Y25 WeakPolarHBondContact O-CD2 3.38Å; I23-Y25 WeakPolarHBondContact O-CE2 3.37Å; Y25-T30 WeakPolarHBondContact CD1-O 3.05Å; Y25-P32 HydrophobicContact CD1-CG 4.31Å; Y25-P32 HydrophobicContact CE1-CG 4.03Å; Y25-W48 WeakPolarHBondContact O-CH2 3.45Å
26	C	81	Confident	75.9	Confident	3 Å²	3	87.7 Å²	87.7	2%	0.02	45%	0.453	C	S	.	.	P	Polyproline II helix	trans	-72.4	130.1	172.4	179.9	0	0	0	0	109.8	E28 C29 T30 M31 L33 W48	C26-E28 VanDerWaalsContact C-N 3.25Å; C26-E28 PolarHBondContact O-N 3.25Å; C26-C29 WeakPolarHBondContact CB-SG 2.96Å; C26-T30 WeakPolarHBondContact O-CA 3.48Å; C26-T30 PolarHBondContact O-N 3.12Å; C26-M31 PolarHBondContact N-O 3.34Å; C26-L33 HydrophobicContact CB-CD2 4.11Å; C26-W48 HydrophobicContact CB-CE3 4.38Å; C26-W48 HydrophobicContact CB-CZ3 4.37Å
27	G	79.7	Confident	76.5	Confident	48 Å²	48	86 Å²	86	50%	0.495	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-18.5	-178.9	0	0	0	0	0	115.1	W48	G27-W48 VanDerWaalsContact N-CE2 3.35Å; G27-W48 VanDerWaalsContact N-CH2 3.27Å
28	E	80.6	Confident	77.1	Confident	95 Å²	95	90.4 Å²	90.4	44%	0.444	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-44.1	-178.5	-170.3	71.4	-172.9	0	0	112.2	C26 K44	C26-E28 VanDerWaalsContact C-N 3.25Å; C26-E28 PolarHBondContact O-N 3.25Å; E28-K44 HydrophobicContact CG-CB 3.93Å; E28-K44 HydrophobicContact CG-CD 4.37Å; E28-K44 WeakPolarHBondContact OE1-CD 3.36Å; E28-K44 IonicContact OE1-NZ 3.78Å
29	C	76.2	Confident	77.5	Confident	20 Å²	20	82.4 Å²	82.4	14%	0.135	42%	0.42	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-6.1	-177.3	68.2	0	0	0	0	113.8	C26 M31 S39	C26-C29 WeakPolarHBondContact CB-SG 2.96Å; C29-M31 PolarHBondContact O-N 3.15Å; C29-S39 VanDerWaalsContact CB-OG 3.3Å; C29-S39 WeakPolarHBondContact CB-OG 3.31Å
30	T	80	Confident	78.1	Confident	109 Å²	109	81.2 Å²	81.2	67%	0.669	43%	0.429	S	S	*	.			trans	57	6.5	-176.2	62.8	0	0	0	0	115.2	Y25 C26	Y25-T30 WeakPolarHBondContact CD1-O 3.05Å; C26-T30 WeakPolarHBondContact O-CA 3.48Å; C26-T30 PolarHBondContact O-N 3.12Å
31	M	80.4	Confident	78.5	Confident	88 Å²	88	81 Å²	81	43%	0.433	42%	0.416	S	S	.	.	S	Bend	trans	-91.8	157.8	177.5	-66.4	-66.7	-74.5	0	0	109.7	C26 C29 Y35	C26-M31 PolarHBondContact N-O 3.34Å; C29-M31 PolarHBondContact O-N 3.15Å; M31-Y35 HydrophobicContact CE-CD1 4.32Å; M31-Y35 HydrophobicContact CE-CG 4.02Å
32	P	80.8	Confident	79	Confident	26 Å²	26	78 Å²	78	17%	0.169	40%	0.403	C	S	.	.	B	Isolated β-bridge	trans	-54.7	152.3	169.3	-19.9	30.7	0	0	0	110.7	I23 Y25 E34 Y35	I23-P32 HydrophobicContact CG2-CB 3.73Å; I23-P32 HydrophobicContact CG2-CG 4.1Å; Y25-P32 HydrophobicContact CD1-CG 4.31Å; Y25-P32 HydrophobicContact CE1-CG 4.03Å; P32-E34 PolarHBondContact O-N 3.22Å; P32-Y35 HydrophobicContact CB-CD2 3.97Å; P32-Y35 HydrophobicContact CG-CD2 3.89Å; P32-Y35 HydrophobicContact CG-CE2 4.41Å; P32-Y35 PolarHBondContact O-N 3.15Å
33	L	77.1	Confident	79.4	Confident	11 Å²	11	78.2 Å²	78.2	6%	0.058	40%	0.399	C	S	.	.	G	3₁₀ helix	trans	-52.2	-42.2	-174.7	-57.7	-177.4	0	0	0	112.9	K24 C26 Y35 C36 W48 L49 L53 E56	K24-L33 HydrophobicContact CB-CD1 3.74Å; K24-L33 HydrophobicContact CB-CG 4.06Å; K24-L33 WeakPolarHBondContact O-CG 3.46Å; K24-L33 PolarHBondContact O-N 3.41Å; C26-L33 HydrophobicContact CB-CD2 4.11Å; L33-Y35 PolarHBondContact O-N 3.32Å; L33-C36 VanDerWaalsContact O-CB 3.31Å; L33-C36 WeakPolarHBondContact O-CB 3.32Å; L33-C36 PolarHBondContact O-N 3.03Å; L33-W48 HydrophobicContact CD2-CZ3 4.46Å; L33-L49 HydrophobicContact CD1-CD1 3.87Å; L33-L49 HydrophobicContact CD2-CD1 3.33Å; L33-L49 HydrophobicContact CG-CD1 4.08Å; L33-L53 HydrophobicContact CD1-CD1 4.44Å; L33-E56 HydrophobicContact CD1-CB 3.64Å; L33-E56 HydrophobicContact CD1-CG 3.78Å
34	E	79.1	Confident	79.7	Confident	118 Å²	118	79.4 Å²	79.4	55%	0.551	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-54	-33.7	174.8	-54.1	-49.1	120.9	0	0	113.8	P32 C36	P32-E34 PolarHBondContact O-N 3.22Å; E34-C36 VanDerWaalsContact C-N 3.33Å
35	Y	80.5	Confident	80	Confident	123 Å²	123	74.4 Å²	74.4	48%	0.482	38%	0.38	S	S	.	.	G	3₁₀ helix	trans	-91.6	1.5	-176.3	-71.9	-83	0	0	0	113.2	M31 P32 L33 E37 F38	M31-Y35 HydrophobicContact CE-CD1 4.32Å; M31-Y35 HydrophobicContact CE-CG 4.02Å; P32-Y35 HydrophobicContact CB-CD2 3.97Å; P32-Y35 HydrophobicContact CG-CD2 3.89Å; P32-Y35 HydrophobicContact CG-CE2 4.41Å; P32-Y35 PolarHBondContact O-N 3.15Å; L33-Y35 PolarHBondContact O-N 3.32Å; Y35-E37 PolarHBondContact O-N 3.07Å; Y35-F38 AromaticContact CD1-CD2 3.84Å; Y35-F38 HydrophobicContact CD1-CD2 3.84Å; Y35-F38 HydrophobicContact CD1-CE2 4.2Å; Y35-F38 PolarHBondContact O-N 3.38Å; Y35-F38 VanDerWaalsContact O-N 3.14Å
36	C	80.4	Confident	79.9	Confident	10 Å²	10	74.1 Å²	74.1	7%	0.068	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-64.6	-30.3	179.8	169.2	0	0	0	0	111.9	L33 E34 F38 S39 C45	L33-C36 VanDerWaalsContact O-CB 3.31Å; L33-C36 WeakPolarHBondContact O-CB 3.32Å; L33-C36 PolarHBondContact O-N 3.03Å; E34-C36 VanDerWaalsContact C-N 3.33Å; C36-F38 PolarHBondContact O-N 3.33Å; C36-F38 VanDerWaalsContact O-N 3.13Å; C36-S39 WeakPolarHBondContact O-CB 3.4Å; C36-S39 PolarHBondContact O-N 3.02Å; C36-C45 HydrophobicContact CB-CB 3.86Å; C36-C45 WeakPolarHBondContact CB-SG 3.17Å; C36-C45 WeakPolarHBondContact SG-CB 3.25Å; C36-C45 CovalentContact SG-SG 2.04Å; C36-C45 PolarHBondContact SG-SG 2.96Å
37	E	79.5	Confident	80	Confident	124 Å²	124	75.9 Å²	75.9	58%	0.579	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-59.4	-26.1	175.7	62.8	169.7	170.5	0	0	113.4	Y35 S39	Y35-E37 PolarHBondContact O-N 3.07Å; E37-S39 VanDerWaalsContact C-N 3.33Å
38	F	79.4	Confident	80.2	Confident	144 Å²	144	76.8 Å²	76.8	63%	0.632	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-88.3	-1.2	176	-54.3	-73.6	0	0	0	113.1	Y35 C36	Y35-F38 AromaticContact CD1-CD2 3.84Å; Y35-F38 HydrophobicContact CD1-CD2 3.84Å; Y35-F38 HydrophobicContact CD1-CE2 4.2Å; Y35-F38 PolarHBondContact O-N 3.38Å; Y35-F38 VanDerWaalsContact O-N 3.14Å; C36-F38 PolarHBondContact O-N 3.33Å; C36-F38 VanDerWaalsContact O-N 3.13Å
39	S	79.3	Confident	80.3	Confident	17 Å²	17	72.6 Å²	72.6	12%	0.119	36%	0.362	C	S	.	.	S	Bend	trans	-66.6	148.1	176.7	-174.1	0	0	0	0	110.7	C29 C36 E37 F41 P42	C29-S39 VanDerWaalsContact CB-OG 3.3Å; C29-S39 WeakPolarHBondContact CB-OG 3.31Å; C36-S39 WeakPolarHBondContact O-CB 3.4Å; C36-S39 PolarHBondContact O-N 3.02Å; E37-S39 VanDerWaalsContact C-N 3.33Å; S39-F41 PolarHBondContact O-N 3.47Å; S39-F41 VanDerWaalsContact O-N 3.07Å; S39-F41 PolarHBondContact OG-N 2.89Å; S39-P42 WeakPolarHBondContact O-CD 3.49Å
40	P	79.7	Confident	80.4	Confident	111 Å²	111	76.6 Å²	76.6	72%	0.721	38%	0.378	S	S	*	.	S	Bend	trans	-57.4	-19.1	168.3	-23.7	33.6	0	0	0	113.9
41	F	80.3	Confident	80.5	Confident	112 Å²	112	79.7 Å²	79.7	49%	0.491	38%	0.383	S	S	.	.			trans	-131.8	68.6	-177.4	-51.9	-69.8	0	0	0	111.9	S39 D43 K44 C45	S39-F41 PolarHBondContact O-N 3.47Å; S39-F41 VanDerWaalsContact O-N 3.07Å; S39-F41 PolarHBondContact OG-N 2.89Å; F41-D43 PolarHBondContact O-N 3.47Å; F41-K44 HydrophobicContact CB-CB 4.09Å; F41-K44 HydrophobicContact CB-CD 3.99Å; F41-K44 HydrophobicContact CB-CG 4.1Å; F41-K44 HydrophobicContact CG-CD 4.25Å; F41-K44 PolarHBondContact O-N 3.34Å; F41-C45 PolarHBondContact O-N 3.42Å
42	P	80.8	Confident	80.3	Confident	40 Å²	40	79.8 Å²	79.8	26%	0.26	39%	0.385	S	S	.	.	H	α-helix	trans	-61.4	-34.9	-178.5	27	-33.9	0	0	0	111.6	S39 K44 C45 R46	S39-P42 WeakPolarHBondContact O-CD 3.49Å; P42-K44 PolarHBondContact O-N 2.68Å; P42-C45 PolarHBondContact O-N 3.1Å; P42-R46 WeakPolarHBondContact O-CG 3.4Å; P42-R46 PolarHBondContact O-N 3.23Å
43	D	81	Confident	80.2	Confident	125 Å²	125	80.4 Å²	80.4	67%	0.668	39%	0.386	S	S	*	.	H	α-helix	trans	-62.1	-41.3	179.1	-57.2	-42.2	0	0	0	112.4	F41 R46 A47	F41-D43 PolarHBondContact O-N 3.47Å; D43-R46 PolarHBondContact O-N 2.9Å; D43-A47 PolarHBondContact O-N 3.18Å; D43-A47 VanDerWaalsContact O-N 3.13Å
44	K	81.8	Confident	80.1	Confident	105 Å²	105	83.4 Å²	83.4	46%	0.457	41%	0.407	S	S	.	.	H	α-helix	trans	-71.2	-41.3	-179.5	-67.5	-173.4	-178.1	177.3	0	111.6	E28 F41 P42 R46 W48	E28-K44 HydrophobicContact CG-CB 3.93Å; E28-K44 HydrophobicContact CG-CD 4.37Å; E28-K44 WeakPolarHBondContact OE1-CD 3.36Å; E28-K44 IonicContact OE1-NZ 3.78Å; F41-K44 HydrophobicContact CB-CB 4.09Å; F41-K44 HydrophobicContact CB-CD 3.99Å; F41-K44 HydrophobicContact CB-CG 4.1Å; F41-K44 HydrophobicContact CG-CD 4.25Å; F41-K44 PolarHBondContact O-N 3.34Å; P42-K44 PolarHBondContact O-N 2.68Å; K44-R46 VanDerWaalsContact C-N 3.33Å; K44-R46 PolarHBondContact O-N 2.79Å; K44-W48 WeakPolarHBondContact O-CB 3.43Å; K44-W48 PolarHBondContact O-N 3.13Å
45	C	82.4	Confident	79.9	Confident	2 Å²	2	84 Å²	84	1%	0.014	41%	0.41	C	S	.	.	H	α-helix	trans	-60.4	-44.3	172.9	-72.1	0	0	0	0	111.7	C36 F41 P42 A47 W48 L49	C36-C45 HydrophobicContact CB-CB 3.86Å; C36-C45 WeakPolarHBondContact CB-SG 3.17Å; C36-C45 WeakPolarHBondContact SG-CB 3.25Å; C36-C45 CovalentContact SG-SG 2.04Å; C36-C45 PolarHBondContact SG-SG 2.96Å; F41-C45 PolarHBondContact O-N 3.42Å; P42-C45 PolarHBondContact O-N 3.1Å; C45-A47 VanDerWaalsContact C-N 3.32Å; C45-A47 PolarHBondContact O-N 3.27Å; C45-W48 CarbonylContact O-C 3.14Å; C45-W48 WeakPolarHBondContact O-CA 3.47Å; C45-W48 WeakPolarHBondContact O-CB 3.13Å; C45-W48 PolarHBondContact O-N 3.05Å; C45-L49 WeakPolarHBondContact O-CB 2.44Å; C45-L49 PolarHBondContact O-N 2.87Å
46	R	77.2	Confident	79.3	Confident	126 Å²	126	80.3 Å²	80.3	48%	0.475	40%	0.397	S	S	.	.	H	α-helix	trans	-60.1	-46.6	-177	-77.2	175.8	177.5	-163.1	-4.1	109.8	P42 D43 K44 W48 L49 E50 F57	P42-R46 WeakPolarHBondContact O-CG 3.4Å; P42-R46 PolarHBondContact O-N 3.23Å; D43-R46 PolarHBondContact O-N 2.9Å; K44-R46 VanDerWaalsContact C-N 3.33Å; K44-R46 PolarHBondContact O-N 2.79Å; R46-W48 VanDerWaalsContact C-N 3.29Å; R46-W48 PolarHBondContact O-N 2.94Å; R46-L49 WeakPolarHBondContact O-CB 3.07Å; R46-L49 PolarHBondContact O-N 3.34Å; R46-L49 VanDerWaalsContact O-N 3.11Å; R46-E50 WeakPolarHBondContact O-CG 3.41Å; R46-E50 PolarHBondContact O-N 3.01Å; R46-F57 HydrophobicContact CB-CE2 4.31Å
47	A	83.3	Confident	78.7	Confident	39 Å²	39	81.7 Å²	81.7	32%	0.322	40%	0.402	S	S	.	.	H	α-helix	trans	-62.7	-32.7	173.5	0	0	0	0	0	113.4	D43 C45 K51	D43-A47 PolarHBondContact O-N 3.18Å; D43-A47 VanDerWaalsContact O-N 3.13Å; C45-A47 VanDerWaalsContact C-N 3.32Å; C45-A47 PolarHBondContact O-N 3.27Å; A47-K51 VanDerWaalsContact O-CG 3.3Å; A47-K51 WeakPolarHBondContact O-CG 3.32Å; A47-K51 PolarHBondContact O-N 2.86Å
48	W	84.2	Confident	78.2	Confident	67 Å²	67	82.2 Å²	82.2	25%	0.254	40%	0.404	S	S	.	.	H	α-helix	trans	-71.5	-37.8	173.3	-174	95	0	0	0	111.6	Y25 C26 G27 L33 K44 C45 R46 K51 N52 L53	Y25-W48 WeakPolarHBondContact O-CH2 3.45Å; C26-W48 HydrophobicContact CB-CE3 4.38Å; C26-W48 HydrophobicContact CB-CZ3 4.37Å; G27-W48 VanDerWaalsContact N-CE2 3.35Å; G27-W48 VanDerWaalsContact N-CH2 3.27Å; L33-W48 HydrophobicContact CD2-CZ3 4.46Å; K44-W48 WeakPolarHBondContact O-CB 3.43Å; K44-W48 PolarHBondContact O-N 3.13Å; C45-W48 CarbonylContact O-C 3.14Å; C45-W48 WeakPolarHBondContact O-CA 3.47Å; C45-W48 WeakPolarHBondContact O-CB 3.13Å; C45-W48 PolarHBondContact O-N 3.05Å; R46-W48 VanDerWaalsContact C-N 3.29Å; R46-W48 PolarHBondContact O-N 2.94Å; W48-K51 PolarHBondContact O-N 2.96Å; W48-N52 HydrophobicContact CD2-CB 4.41Å; W48-N52 VanDerWaalsContact CD2-ND2 3.31Å; W48-N52 HydrophobicContact CE3-CB 4.4Å; W48-N52 HydrophobicContact CH2-CB 4.11Å; W48-N52 HydrophobicContact CZ2-CB 4.1Å; W48-N52 HydrophobicContact CZ3-CB 4.24Å; W48-N52 PolarHBondContact NE1-ND2 3.11Å; W48-N52 VanDerWaalsContact NE1-ND2 3.14Å; W48-N52 WeakPolarHBondContact O-CB 3.36Å; W48-N52 PolarHBondContact O-N 2.9Å; W48-N52 PolarHBondContact O-ND2 3.19Å; W48-L53 HydrophobicContact CH2-CD1 4.15Å; W48-L53 HydrophobicContact CZ3-CD1 3.89Å
49	L	82.5	Confident	77.8	Confident	8 Å²	8	81.5 Å²	81.5	4%	0.042	40%	0.397	C	S	.	.	H	α-helix	trans	-67.9	-45.3	-179.7	-157.5	62.5	0	0	0	110.7	L33 C45 R46 K51 N52 L53 F57 L60	L33-L49 HydrophobicContact CD1-CD1 3.87Å; L33-L49 HydrophobicContact CD2-CD1 3.33Å; L33-L49 HydrophobicContact CG-CD1 4.08Å; C45-L49 WeakPolarHBondContact O-CB 2.44Å; C45-L49 PolarHBondContact O-N 2.87Å; R46-L49 WeakPolarHBondContact O-CB 3.07Å; R46-L49 PolarHBondContact O-N 3.34Å; R46-L49 VanDerWaalsContact O-N 3.11Å; L49-K51 PolarHBondContact O-N 3.35Å; L49-N52 PolarHBondContact O-N 3.18Å; L49-L53 HydrophobicContact CD1-CB 4.26Å; L49-L53 HydrophobicContact CD1-CD1 4.29Å; L49-L53 CarbonylContact O-C 3.52Å; L49-L53 WeakPolarHBondContact O-CA 3.21Å; L49-L53 PolarHBondContact O-N 3.42Å; L49-F57 HydrophobicContact CB-CD2 4.13Å; L49-F57 HydrophobicContact CD2-CB 4.28Å; L49-F57 HydrophobicContact CD2-CD2 4.11Å; L49-F57 HydrophobicContact CG-CB 4.07Å; L49-F57 HydrophobicContact CG-CD2 4.31Å; L49-L60 HydrophobicContact CD2-CD2 3.8Å
50	E	78.8	Confident	77	Confident	103 Å²	103	83 Å²	83	48%	0.481	40%	0.403	S	S	.	.	H	α-helix	trans	-54.2	-39.7	172.5	-75.4	175.1	-176	0	0	112.6	R46 F57	R46-E50 WeakPolarHBondContact O-CG 3.41Å; R46-E50 PolarHBondContact O-N 3.01Å; E50-F57 HydrophobicContact CG-CD1 3.76Å; E50-F57 HydrophobicContact CG-CD2 3.85Å; E50-F57 HydrophobicContact CG-CE1 3.54Å; E50-F57 HydrophobicContact CG-CE2 3.66Å; E50-F57 HydrophobicContact CG-CG 3.9Å; E50-F57 HydrophobicContact CG-CZ 3.48Å; E50-F57 VanDerWaalsContact CG-CZ 3.48Å; E50-F57 WeakPolarHBondContact OE1-CZ 3.49Å
51	K	81.2	Confident	76.2	Confident	175 Å²	175	80.9 Å²	80.9	76%	0.761	39%	0.386	S	S	*	.	H	α-helix	trans	-80.9	-37.4	-175.8	-73	175.8	-176.1	176.4	0	113.9	A47 W48 L49	A47-K51 VanDerWaalsContact O-CG 3.3Å; A47-K51 WeakPolarHBondContact O-CG 3.32Å; A47-K51 PolarHBondContact O-N 2.86Å; W48-K51 PolarHBondContact O-N 2.96Å; L49-K51 PolarHBondContact O-N 3.35Å
52	N	77.7	Confident	75.1	Confident	90 Å²	90	79.7 Å²	79.7	48%	0.481	39%	0.388	S	S	.	.	H	α-helix	trans	-99.2	-33.9	-171.5	-66.6	-80	0	0	0	112.8	W48 L49	W48-N52 HydrophobicContact CD2-CB 4.41Å; W48-N52 VanDerWaalsContact CD2-ND2 3.31Å; W48-N52 HydrophobicContact CE3-CB 4.4Å; W48-N52 HydrophobicContact CH2-CB 4.11Å; W48-N52 HydrophobicContact CZ2-CB 4.1Å; W48-N52 HydrophobicContact CZ3-CB 4.24Å; W48-N52 PolarHBondContact NE1-ND2 3.11Å; W48-N52 VanDerWaalsContact NE1-ND2 3.14Å; W48-N52 WeakPolarHBondContact O-CB 3.36Å; W48-N52 PolarHBondContact O-N 2.9Å; W48-N52 PolarHBondContact O-ND2 3.19Å; L49-N52 PolarHBondContact O-N 3.18Å
53	L	77.6	Confident	73.8	Confident	38 Å²	38	83.3 Å²	83.3	20%	0.199	41%	0.405	C	S	.	.			trans	-141.7	70.6	-173	-69.6	134	0	0	0	110.1	K24 L33 W48 L49 E55 E56 F57	K24-L53 HydrophobicContact CD-CD2 4.35Å; K24-L53 HydrophobicContact CG-CD2 4.28Å; L33-L53 HydrophobicContact CD1-CD1 4.44Å; W48-L53 HydrophobicContact CH2-CD1 4.15Å; W48-L53 HydrophobicContact CZ3-CD1 3.89Å; L49-L53 HydrophobicContact CD1-CB 4.26Å; L49-L53 HydrophobicContact CD1-CD1 4.29Å; L49-L53 CarbonylContact O-C 3.52Å; L49-L53 WeakPolarHBondContact O-CA 3.21Å; L49-L53 PolarHBondContact O-N 3.42Å; L53-E55 PolarHBondContact O-N 3.5Å; L53-E56 HydrophobicContact CB-CB 4.03Å; L53-E56 HydrophobicContact CB-CG 4.08Å; L53-E56 HydrophobicContact CD2-CG 3.87Å; L53-E56 PolarHBondContact O-N 3.41Å; L53-F57 PolarHBondContact O-N 3.26Å
54	P	76	Confident	72.5	Confident	74 Å²	74	82.3 Å²	82.3	48%	0.481	40%	0.4	S	S	.	.	H	α-helix	trans	-58.4	-34.6	178.5	23.4	-33.2	0	0	0	112.4	F57 E58	P54-F57 PolarHBondContact O-N 3.43Å; P54-E58 PolarHBondContact O-N 3.32Å
55	E	74.5	Confident	70.8	Confident	132 Å²	132	84.9 Å²	84.9	62%	0.617	42%	0.415	S	S	*	.	H	α-helix	trans	-65.2	-39.6	177.1	-67	-171.3	166.9	0	0	113.1	L53 E58 R59	L53-E55 PolarHBondContact O-N 3.5Å; E55-E58 PolarHBondContact O-N 2.97Å; E55-R59 WeakPolarHBondContact O-CG 3.49Å; E55-R59 PolarHBondContact O-N 2.88Å; E55-R59 VanDerWaalsContact O-N 3.1Å; E55-R59 IonicContact OE2-NH2 3.98Å
56	E	68.4	Low	68.9	Low	44 Å²	44	92.1 Å²	92.1	21%	0.206	45%	0.454	C	S	.	.	H	α-helix	trans	-76	-30.9	177.5	-59.2	-62	146.1	0	0	111.1	L33 L53 E58 R59 L60	L33-E56 HydrophobicContact CD1-CB 3.64Å; L33-E56 HydrophobicContact CD1-CG 3.78Å; L53-E56 HydrophobicContact CB-CB 4.03Å; L53-E56 HydrophobicContact CB-CG 4.08Å; L53-E56 HydrophobicContact CD2-CG 3.87Å; L53-E56 PolarHBondContact O-N 3.41Å; E56-E58 VanDerWaalsContact C-N 3.35Å; E56-R59 VanDerWaalsContact CD-NH1 3.32Å; E56-R59 PolarHBondContact O-N 3.43Å; E56-R59 IonicContact OE1-CZ 3.44Å; E56-R59 IonicContact OE1-NH1 2.68Å; E56-R59 PolarHBondContact OE1-NH1 2.73Å; E56-R59 IonicContact OE1-NH2 3.76Å; E56-R59 IonicContact OE2-NH1 3.34Å; E56-R59 PolarHBondContact OE2-NH1 3.01Å; E56-L60 VanDerWaalsContact O-CB 3.25Å; E56-L60 WeakPolarHBondContact O-CB 3.38Å; E56-L60 PolarHBondContact O-N 2.88Å
57	F	66.8	Low	67.3	Low	40 Å²	40	90.8 Å²	90.8	18%	0.175	46%	0.464	C	S	.	.	H	α-helix	trans	-64.1	-40.3	171.2	-175.9	-104.5	0	0	0	111.5	R46 L49 E50 L53 P54 N61	R46-F57 HydrophobicContact CB-CE2 4.31Å; L49-F57 HydrophobicContact CB-CD2 4.13Å; L49-F57 HydrophobicContact CD2-CB 4.28Å; L49-F57 HydrophobicContact CD2-CD2 4.11Å; L49-F57 HydrophobicContact CG-CB 4.07Å; L49-F57 HydrophobicContact CG-CD2 4.31Å; E50-F57 HydrophobicContact CG-CD1 3.76Å; E50-F57 HydrophobicContact CG-CD2 3.85Å; E50-F57 HydrophobicContact CG-CE1 3.54Å; E50-F57 HydrophobicContact CG-CE2 3.66Å; E50-F57 HydrophobicContact CG-CG 3.9Å; E50-F57 HydrophobicContact CG-CZ 3.48Å; E50-F57 VanDerWaalsContact CG-CZ 3.48Å; E50-F57 WeakPolarHBondContact OE1-CZ 3.49Å; L53-F57 PolarHBondContact O-N 3.26Å; P54-F57 PolarHBondContact O-N 3.43Å; F57-N61 WeakPolarHBondContact CD1-ND2 3.42Å; F57-N61 WeakPolarHBondContact CE1-ND2 3.45Å; F57-N61 VanDerWaalsContact CE2-ND2 3.32Å; F57-N61 WeakPolarHBondContact CE2-ND2 3.3Å; F57-N61 WeakPolarHBondContact CG-ND2 3.42Å; F57-N61 WeakPolarHBondContact CZ-ND2 3.3Å; F57-N61 WeakPolarHBondContact O-CB 3.41Å; F57-N61 PolarHBondContact O-N 3.13Å; F57-N61 PolarHBondContact O-ND2 2.84Å
58	E	69.2	Low	65	Low	135 Å²	135	96 Å²	96	63%	0.631	49%	0.486	S	S	*	.	H	α-helix	trans	-63.2	-47	173.8	-76.5	-176.5	175.2	0	0	111.3	P54 E55 E56 L60 N61 T62	P54-E58 PolarHBondContact O-N 3.32Å; E55-E58 PolarHBondContact O-N 2.97Å; E56-E58 VanDerWaalsContact C-N 3.35Å; E58-L60 PolarHBondContact O-N 3.14Å; E58-N61 PolarHBondContact O-N 3.33Å; E58-T62 WeakPolarHBondContact O-CG2 3.19Å; E58-T62 PolarHBondContact O-N 2.87Å; E58-T62 PolarHBondContact O-OG1 3.22Å; E58-T62 VanDerWaalsContact O-OG1 3.05Å
59	R	70.4	Confident	62.6	Low	128 Å²	128	101.8 Å²	101.8	48%	0.483	52%	0.516	S	S	.	.	H	α-helix	trans	-59.3	-47.7	176.7	-70.8	-175.9	-155.8	143.7	14.3	112.5	E55 E56 N61 T62 D63	E55-R59 WeakPolarHBondContact O-CG 3.49Å; E55-R59 PolarHBondContact O-N 2.88Å; E55-R59 VanDerWaalsContact O-N 3.1Å; E55-R59 IonicContact OE2-NH2 3.98Å; E56-R59 VanDerWaalsContact CD-NH1 3.32Å; E56-R59 PolarHBondContact O-N 3.43Å; E56-R59 IonicContact OE1-CZ 3.44Å; E56-R59 IonicContact OE1-NH1 2.68Å; E56-R59 PolarHBondContact OE1-NH1 2.73Å; E56-R59 IonicContact OE1-NH2 3.76Å; E56-R59 IonicContact OE2-NH1 3.34Å; E56-R59 PolarHBondContact OE2-NH1 3.01Å; R59-N61 VanDerWaalsContact C-N 3.3Å; R59-N61 PolarHBondContact O-N 2.04Å; R59-T62 WeakPolarHBondContact CA-OG1 3.34Å; R59-T62 PolarHBondContact O-N 2.95Å; R59-T62 VanDerWaalsContact O-N 3.15Å; R59-T62 PolarHBondContact O-OG1 3.28Å; R59-D63 PolarHBondContact O-N 3.39Å; R59-D63 VanDerWaalsContact O-N 3.07Å
60	L	63.5	Low	60.5	Low	48 Å²	48	107.7 Å²	107.7	25%	0.251	55%	0.553	S	S	.	*	H	α-helix	trans	-66.6	-32.2	-177.7	-160.5	71.4	0	0	0	112	L49 E56 E58	L49-L60 HydrophobicContact CD2-CD2 3.8Å; E56-L60 VanDerWaalsContact O-CB 3.25Å; E56-L60 WeakPolarHBondContact O-CB 3.38Å; E56-L60 PolarHBondContact O-N 2.88Å; E58-L60 PolarHBondContact O-N 3.14Å
61	N	63.4	Low	58.4	Low	67 Å²	67	112.2 Å²	112.2	36%	0.358	57%	0.574	S	S	.	*	H	α-helix	trans	-78.9	-25.3	173.8	-73.3	-55.5	0	0	0	113.6	F57 E58 R59	F57-N61 WeakPolarHBondContact CD1-ND2 3.42Å; F57-N61 WeakPolarHBondContact CE1-ND2 3.45Å; F57-N61 VanDerWaalsContact CE2-ND2 3.32Å; F57-N61 WeakPolarHBondContact CE2-ND2 3.3Å; F57-N61 WeakPolarHBondContact CG-ND2 3.42Å; F57-N61 WeakPolarHBondContact CZ-ND2 3.3Å; F57-N61 WeakPolarHBondContact O-CB 3.41Å; F57-N61 PolarHBondContact O-N 3.13Å; F57-N61 PolarHBondContact O-ND2 2.84Å; E58-N61 PolarHBondContact O-N 3.33Å; R59-N61 VanDerWaalsContact C-N 3.3Å; R59-N61 PolarHBondContact O-N 2.04Å
62	T	57.3	Low	56.5	Low	87 Å²	87	108.4 Å²	108.4	53%	0.534	58%	0.575	S	S	.	*	H	α-helix	trans	-77	-34	176.1	48.5	0	0	0	0	112.7	E58 R59 D64 M65	E58-T62 WeakPolarHBondContact O-CG2 3.19Å; E58-T62 PolarHBondContact O-N 2.87Å; E58-T62 PolarHBondContact O-OG1 3.22Å; E58-T62 VanDerWaalsContact O-OG1 3.05Å; R59-T62 WeakPolarHBondContact CA-OG1 3.34Å; R59-T62 PolarHBondContact O-N 2.95Å; R59-T62 VanDerWaalsContact O-N 3.15Å; R59-T62 PolarHBondContact O-OG1 3.28Å; T62-D64 VanDerWaalsContact C-N 3.31Å; T62-D64 PolarHBondContact O-N 3.23Å; T62-M65 PolarHBondContact O-N 3.41Å; T62-M65 VanDerWaalsContact O-N 3.11Å
63	D	53.2	Low	54.6	Low	116 Å²	116	108 Å²	108	62%	0.62	59%	0.585	S	S	*	*	H	α-helix	trans	-68.4	-28.3	179.1	-102.7	-90.4	0	0	0	113.1	R59 M65 S67	R59-D63 PolarHBondContact O-N 3.39Å; R59-D63 VanDerWaalsContact O-N 3.07Å; D63-M65 PolarHBondContact O-N 3.13Å; D63-S67 PolarHBondContact O-OG 3.46Å
64	D	52.6	Low	52.7	Low	104 Å²	104	112.8 Å²	112.8	56%	0.556	62%	0.618	S	S	*	*	H	α-helix	trans	-67.3	-12.7	172.2	-103.9	-64.5	0	0	0	113.6	T62	T62-D64 VanDerWaalsContact C-N 3.31Å; T62-D64 PolarHBondContact O-N 3.23Å
65	M	45.7	Very low	51.3	Low	159 Å²	159	118.6 Å²	118.6	78%	0.783	64%	0.636	S	S	*	*	H	α-helix	trans	-100.2	-16.3	-178.7	-72.6	-80.5	97.2	0	0	114.6	T62 D63	T62-M65 PolarHBondContact O-N 3.41Å; T62-M65 VanDerWaalsContact O-N 3.11Å; D63-M65 PolarHBondContact O-N 3.13Å
66	D	42.9	Very low	49.5	Very low	154 Å²	154	116.2 Å²	116.2	82%	0.824	65%	0.647	S	S	*	*	H	α-helix	trans	-106.7	-1.5	-170.5	-155.9	44.2	0	0	0	115.5
67	S	43.3	Very low	48.5	Very low	99 Å²	99	125.2 Å²	125.2	69%	0.692	68%	0.679	S	S	*	*	S	Bend	trans	-108	14.1	-178.2	41.3	0	0	0	0	115.4	D63	D63-S67 PolarHBondContact O-OG 3.46Å
68	N	36	Very low	47.8	Very low	147 Å²	147	132.1 Å²	132.1	79%	0.786	71%	0.711	S	S	*	*			trans	-113.1	48.2	-176.5	-150.8	5.3	0	0	0	115.1
69	Q	34.3	Very low	46.7	Very low	189 Å²	189	132.1 Å²	132.1	88%	0.883	72%	0.72	S	S	*	*			trans	-134.7	77.5	161.1	-79.5	-174.2	73	0	0	110.3
70	T	38.2	Very low	45.4	Very low	132 Å²	132	137.2 Å²	137.2	81%	0.81	74%	0.74	S	S	*	*			trans	-149.4	121	150.9	-21	0	0	0	0	110.8	A72	T70-A72 PolarHBondContact O-N 2.95Å
71	E	34.3	Very low	44.3	Very low	198 Å²	198	138 Å²	138	93%	0.925	76%	0.76	S	S	*	*			trans	-55.9	114.4	-178.5	-60.8	168.4	103.4	0	0	111.8
72	A	40.4	Very low	43.5	Very low	95 Å²	95	138 Å²	138	79%	0.785	78%	0.775	S	S	*	*			trans	-144.5	88.1	167.1	0	0	0	0	0	111.3	T70	T70-A72 PolarHBondContact O-N 2.95Å
73	A	38.4	Very low	42.9	Very low	83 Å²	83	143.8 Å²	143.8	69%	0.686	79%	0.793	S	S	*	*			trans	31.5	113.1	147.5	0	0	0	0	0	118.7	K75	A73-K75 PolarHBondContact O-N 3.05Å
74	P	38.6	Very low	42.5	Very low	137 Å²	137	142.4 Å²	142.4	89%	0.89	81%	0.806	S	S	*	*			trans	-77.2	89.5	169.1	32.8	-31.1	0	0	0	109.5	G76	P74-G76 PolarHBondContact O-N 3.25Å
75	K	45.3	Very low	42.5	Very low	197 Å²	197	139.9 Å²	139.9	86%	0.857	80%	0.804	S	S	*	*			trans	-75.7	110.1	159.4	-86.6	-178.4	177.4	172.9	0	108	A73 R77	A73-K75 PolarHBondContact O-N 3.05Å; K75-R77 PolarHBondContact O-N 3.07Å
76	G	36.3	Very low	42.5	Very low	82 Å²	82	138.1 Å²	138.1	85%	0.845	81%	0.805	S	S	*	*			trans	-44.7	106.7	-176.1	0	0	0	0	0	113.6	P74	P74-G76 PolarHBondContact O-N 3.25Å
77	R	48.9	Very low	42.8	Very low	233 Å²	233	140.8 Å²	140.8	88%	0.879	81%	0.809	S	S	*	*			trans	-89.3	110.5	157.7	-158.1	174.8	-158.8	-166.6	5.4	106.8	K75 V79	K75-R77 PolarHBondContact O-N 3.07Å; R77-V79 PolarHBondContact O-N 3.35Å
78	Q	51.6	Low	43	Very low	184 Å²	184	144.5 Å²	144.5	86%	0.86	81%	0.813	S	S	*	*			trans	-35.6	99.5	173.2	-160.4	172.8	-15.6	0	0	111.6	R80	Q78-R80 VanDerWaalsContact C-N 3.29Å; Q78-R80 PolarHBondContact O-N 2.89Å
79	V	45.3	Very low	43.5	Very low	135 Å²	135	142.9 Å²	142.9	82%	0.818	81%	0.811	S	S	*	*			trans	-67.8	94.4	165.9	177.7	0	0	0	0	105.6	R77 G81	R77-V79 PolarHBondContact O-N 3.35Å; V79-G81 PolarHBondContact O-N 3.14Å
80	R	43.9	Very low	44.2	Very low	236 Å²	236	140.2 Å²	140.2	89%	0.891	81%	0.807	S	S	*	*			trans	-73.2	78	162	-162.8	173.7	174.9	-179.7	-3.1	106.7	Q78 G82	Q78-R80 VanDerWaalsContact C-N 3.29Å; Q78-R80 PolarHBondContact O-N 2.89Å; R80-G82 PolarHBondContact O-N 3.3Å
81	G	40.2	Very low	45.1	Very low	65 Å²	65	141.2 Å²	141.2	67%	0.67	80%	0.8	S	S	*	*			trans	-55.1	117.8	166	0	0	0	0	0	108.5	V79	V79-G81 PolarHBondContact O-N 3.14Å
82	G	45.9	Very low	46.6	Very low	66 Å²	66	137.2 Å²	137.2	68%	0.68	78%	0.781	S	S	*	*			trans	-152.1	52.1	-177.5	0	0	0	0	0	110.1	R80 G84	R80-G82 PolarHBondContact O-N 3.3Å; G82-G84 PolarHBondContact O-N 2.8Å
83	K	45	Very low	47.9	Very low	208 Å²	208	136 Å²	136	90%	0.904	76%	0.759	S	S	*	*			trans	40.6	78.5	147	-147.4	156.1	-179.8	174.6	0	113.9	G85	K83-G85 PolarHBondContact O-N 3.36Å
84	G	45.5	Very low	49.7	Very low	87 Å²	87	132 Å²	132	90%	0.897	73%	0.727	S	S	*	*			trans	-60.1	87.1	161	0	0	0	0	0	109.2	G82	G82-G84 PolarHBondContact O-N 2.8Å
85	G	51.7	Low	51.5	Low	51 Å²	51	126.1 Å²	126.1	53%	0.526	69%	0.689	S	S	.	*			trans	-65.6	151.3	168.1	0	0	0	0	0	109.7	K83 K87	K83-G85 PolarHBondContact O-N 3.36Å; G85-K87 PolarHBondContact O-N 3.29Å
86	P	47.6	Very low	53.3	Low	123 Å²	123	116.8 Å²	116.8	80%	0.799	65%	0.648	S	S	*	*			trans	-57.1	131	-179.6	25	-33	0	0	0	109.2	K88	P86-K88 VanDerWaalsContact C-N 3.29Å; P86-K88 PolarHBondContact O-N 2.77Å
87	K	47.5	Very low	55.3	Low	210 Å²	210	114.9 Å²	114.9	91%	0.913	62%	0.617	S	S	*	*			trans	-54.9	94.7	171.5	-70.8	178.6	178.3	174.3	0	108.1	G85	G85-K87 PolarHBondContact O-N 3.29Å
88	K	48.4	Very low	56.9	Low	176 Å²	176	106 Å²	106	77%	0.765	59%	0.585	S	S	*	*			trans	-56	142.7	162.8	-70.1	179.1	-179.7	177.4	0	106.6	P86 V90	P86-K88 VanDerWaalsContact C-N 3.29Å; P86-K88 PolarHBondContact O-N 2.77Å; K88-V90 PolarHBondContact O-N 3.03Å
89	P	45.8	Very low	58.2	Low	114 Å²	114	99.3 Å²	99.3	74%	0.74	56%	0.556	S	S	*	*			trans	-51.9	121.5	176.8	24	-33.5	0	0	0	107.5	K91	P89-K91 VanDerWaalsContact C-N 3.31Å; P89-K91 PolarHBondContact O-N 3.17Å
90	V	50.5	Low	59.9	Low	132 Å²	132	95.2 Å²	95.2	80%	0.8	53%	0.534	S	S	*	.			trans	-61.5	98.2	-176.2	-179	0	0	0	0	106.4	K88 Q92	K88-V90 PolarHBondContact O-N 3.03Å; V90-Q92 PolarHBondContact O-N 3.11Å
91	K	56.6	Low	61.1	Low	154 Å²	154	92.9 Å²	92.9	67%	0.67	53%	0.525	S	S	*	.			trans	-63.2	126.1	169	-69.1	-175.2	178	-175.6	0	105.3	P89 Q93	P89-K91 VanDerWaalsContact C-N 3.31Å; P89-K91 PolarHBondContact O-N 3.17Å; K91-Q93 HydrophobicContact CB-CG 3.91Å; K91-Q93 PolarHBondContact O-N 2.92Å
92	Q	64.6	Low	62.5	Low	113 Å²	113	92 Å²	92	53%	0.528	52%	0.516	S	S	.	.			trans	-59.3	107.7	172.2	-53.5	177.3	-58.7	0	0	105.5	V90 T115 F116 V169	V90-Q92 PolarHBondContact O-N 3.11Å; Q92-T115 HydrophobicContact CB-CG2 3.81Å; Q92-T115 HydrophobicContact CG-CG2 3.6Å; Q92-T115 PolarHBondContact NE2-O 2.92Å; Q92-F116 HydrophobicContact CB-CE1 4.33Å; Q92-F116 HydrophobicContact CB-CE2 4.23Å; Q92-F116 HydrophobicContact CB-CZ 3.81Å; Q92-V169 WeakPolarHBondContact O-CG1 3.25Å
93	Q	67.9	Low	63.6	Low	70 Å²	70	98.9 Å²	98.9	33%	0.327	53%	0.527	S	S	.	.			trans	-134.8	139.4	-174.7	-74.3	-178.9	-56.3	0	0	109.4	K91 V169 E171	K91-Q93 HydrophobicContact CB-CG 3.91Å; K91-Q93 PolarHBondContact O-N 2.92Å; Q93-V169 HydrophobicContact CB-CG1 4.41Å; Q93-V169 HydrophobicContact CG-CG1 4.24Å; Q93-E171 PolarHBondContact NE2-OE1 3.2Å; Q93-E171 PolarHBondContact OE1-OE1 3.46Å
94	I	76.2	Confident	65	Low	0 Å²	0	98.3 Å²	98.3	0%	0	53%	0.525	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	121.8	176.7	-59.8	179.2	0	0	0	106.5	V96 V110 T111 L113 F116 L158 I165 V169 I170 E171	I94-V96 HydrophobicContact CG2-CG2 4.31Å; I94-V110 HydrophobicContact CG2-CG1 3.83Å; I94-T111 WeakPolarHBondContact CA-O 3.29Å; I94-L113 HydrophobicContact CD1-CD2 4.04Å; I94-F116 HydrophobicContact CD1-CD2 3.79Å; I94-F116 HydrophobicContact CD1-CE2 3.66Å; I94-F116 HydrophobicContact CD1-CZ 4.28Å; I94-F116 HydrophobicContact CG1-CD2 3.82Å; I94-F116 HydrophobicContact CG1-CE2 3.33Å; I94-F116 HydrophobicContact CG1-CZ 4.11Å; I94-L158 HydrophobicContact CD1-CD2 4Å; I94-L158 HydrophobicContact CG2-CD2 4.18Å; I94-I165 HydrophobicContact CD1-CB 4.29Å; I94-I165 HydrophobicContact CD1-CD1 3.3Å; I94-I165 HydrophobicContact CD1-CG1 3.66Å; I94-I165 HydrophobicContact CD1-CG2 3.63Å; I94-V169 PolarHBondContact N-O 3.43Å; I94-I170 CarbonylContact O-C 3.51Å; I94-I170 VanDerWaalsContact O-CA 3.28Å; I94-I170 WeakPolarHBondContact O-CA 3.22Å; I94-E171 PolarHBondContact O-N 3.16Å
95	A	77	Confident	66.5	Low	12 Å²	12	101.5 Å²	101.5	10%	0.099	51%	0.514	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	129.2	177.8	0	0	0	0	0	110.1	F97 V110 T111 E171 L173	A95-F97 HydrophobicContact CB-CD2 4.23Å; A95-F97 HydrophobicContact CB-CE2 3.29Å; A95-F97 HydrophobicContact CB-CZ 3.56Å; A95-V110 WeakPolarHBondContact O-CA 3.22Å; A95-T111 WeakPolarHBondContact CB-OG1 3.26Å; A95-T111 PolarHBondContact N-O 2.83Å; A95-T111 PolarHBondContact O-N 3.4Å; A95-T111 PolarHBondContact O-OG1 3.42Å; A95-E171 WeakPolarHBondContact CA-O 3.15Å; A95-L173 HydrophobicContact CB-CD1 4.02Å
96	V	82.5	Confident	67.9	Low	1 Å²	1	103.6 Å²	103.6	1%	0.006	51%	0.506	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	117	-179.2	-177.5	0	0	0	0	108.9	I94 T108 S109 V110 L154 I170 E171 L173	I94-V96 HydrophobicContact CG2-CG2 4.31Å; V96-T108 HydrophobicContact CG1-CG2 3.61Å; V96-S109 WeakPolarHBondContact CA-O 3.23Å; V96-V110 HydrophobicContact CG2-CG1 4.31Å; V96-L154 HydrophobicContact CG1-CD2 3.9Å; V96-L154 HydrophobicContact CG2-CD2 4.3Å; V96-I170 HydrophobicContact CG2-CG2 4.03Å; V96-E171 PolarHBondContact N-O 2.84Å; V96-E171 VanDerWaalsContact N-O 3.1Å; V96-L173 PolarHBondContact O-N 3.34Å
97	F	79.4	Confident	69.7	Low	43 Å²	43	98.3 Å²	98.3	19%	0.189	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	140.7	-176.2	-53.1	-98.9	0	0	0	110	A95 T108 S109 T111 L173	A95-F97 HydrophobicContact CB-CD2 4.23Å; A95-F97 HydrophobicContact CB-CE2 3.29Å; A95-F97 HydrophobicContact CB-CZ 3.56Å; F97-T108 CarbonylContact O-C 3.57Å; F97-T108 WeakPolarHBondContact O-CA 3.02Å; F97-S109 PolarHBondContact N-O 2.8Å; F97-S109 PolarHBondContact O-N 2.94Å; F97-T111 HydrophobicContact CD2-CG2 4.45Å; F97-T111 HydrophobicContact CE2-CG2 4.16Å; F97-L173 HydrophobicContact CD1-CB 3.26Å; F97-L173 HydrophobicContact CD1-CD1 4.49Å; F97-L173 HydrophobicContact CD1-CG 4.41Å; F97-L173 VanDerWaalsContact CD1-O 3.23Å; F97-L173 WeakPolarHBondContact CD1-O 3.43Å; F97-L173 HydrophobicContact CE1-CB 3.01Å; F97-L173 HydrophobicContact CE1-CD1 3.43Å; F97-L173 VanDerWaalsContact CE1-CD1 3.43Å; F97-L173 HydrophobicContact CE1-CD2 4.28Å; F97-L173 HydrophobicContact CE1-CG 3.71Å; F97-L173 HydrophobicContact CE2-CD1 4.49Å; F97-L173 HydrophobicContact CG-CB 4.22Å; F97-L173 HydrophobicContact CZ-CB 3.78Å; F97-L173 HydrophobicContact CZ-CD1 3.41Å; F97-L173 VanDerWaalsContact CZ-CD1 3.41Å; F97-L173 HydrophobicContact CZ-CG 4.18Å
98	K	82.5	Confident	71.5	Confident	47 Å²	47	88.3 Å²	88.3	20%	0.204	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	134.9	159.1	54	-177	156.8	174	0	109.2	K151 G174 E175 M176	K98-K151 HydrophobicContact CB-CD 4.44Å; K98-K151 HydrophobicContact CD-CD 4.48Å; K98-G174 VanDerWaalsContact CG-O 3.26Å; K98-G174 WeakPolarHBondContact CG-O 3.49Å; K98-G174 PolarHBondContact N-O 3.05Å; K98-G174 VanDerWaalsContact N-O 3.15Å; K98-E175 HydrophobicContact CD-CB 4.19Å; K98-E175 HydrophobicContact CD-CG 3.67Å; K98-E175 WeakPolarHBondContact CD-OE1 3.26Å; K98-E175 WeakPolarHBondContact CE-OE1 3.39Å; K98-E175 HydrophobicContact CG-CB 4.08Å; K98-E175 HydrophobicContact CG-CG 3.8Å; K98-E175 IonicContact NZ-OE1 2.59Å; K98-E175 PolarHBondContact NZ-OE1 3.32Å; K98-M176 PolarHBondContact O-N 2.95Å
99	T	79.3	Confident	73.3	Confident	42 Å²	42	80.6 Å²	80.6	26%	0.258	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	128.3	169.2	-56.4	0	0	0	0	108	R101 T107	T99-R101 PolarHBondContact O-N 2.96Å; T99-T107 PolarHBondContact N-O 3.31Å; T99-T107 PolarHBondContact O-N 3.49Å
100	S	79.2	Confident	75.1	Confident	49 Å²	49	75.2 Å²	75.2	34%	0.343	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	108.6	172.5	59.1	0	0	0	0	109.6	G102 K105	S100-G102 PolarHBondContact O-N 2.82Å; S100-K105 CarbonylContact C-O 3.46Å
101	R	70.8	Confident	76.6	Confident	187 Å²	187	70.3 Å²	70.3	71%	0.706	33%	0.332	S	S	*	.	S	Bend	trans	-99.3	67.8	176.1	-164.1	179.9	-178.6	-173.5	1.1	109.8	T99 K105	T99-R101 PolarHBondContact O-N 2.96Å; R101-K105 CarbonylContact C-O 3.54Å; R101-K105 PolarHBondContact N-O 3.35Å; R101-K105 VanDerWaalsContact O-CB 3.29Å; R101-K105 WeakPolarHBondContact O-CB 3.32Å
102	G	69.2	Low	77.6	Confident	46 Å²	46	63.5 Å²	63.5	47%	0.474	31%	0.306	S	S	.	.	S	Bend	trans	98.6	148.2	-176.9	0	0	0	0	0	112.4	S100 K104 K105	S100-G102 PolarHBondContact O-N 2.82Å; G102-K104 PolarHBondContact O-N 2.78Å; G102-K105 PolarHBondContact O-N 3.37Å
103	K	68.3	Low	78.2	Confident	211 Å²	211	58.1 Å²	58.1	92%	0.917	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-40.4	-33.7	-163.3	-65.4	-179.2	-179.8	-178.6	0	117.2
104	K	73.7	Confident	78.4	Confident	197 Å²	197	57.3 Å²	57.3	86%	0.857	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.6	1.7	-178.5	-64.7	-173.9	177.1	-176.4	0	114.5	G102	G102-K104 PolarHBondContact O-N 2.78Å
105	K	77.7	Confident	78.2	Confident	154 Å²	154	60.5 Å²	60.5	67%	0.67	30%	0.302	S	S	*	.			trans	-112.2	119.7	-175	-69.3	-175.5	-178.2	-173.6	0	109.2	S100 R101 G102	S100-K105 CarbonylContact C-O 3.46Å; R101-K105 CarbonylContact C-O 3.54Å; R101-K105 PolarHBondContact N-O 3.35Å; R101-K105 VanDerWaalsContact O-CB 3.29Å; R101-K105 WeakPolarHBondContact O-CB 3.32Å; G102-K105 PolarHBondContact O-N 3.37Å
106	Y	82.1	Confident	77.8	Confident	95 Å²	95	61.4 Å²	61.4	37%	0.373	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	154.5	174.3	-59.1	-79.4	0	0	0	109.9	G148	Y106-G148 WeakPolarHBondContact O-CA 3.31Å; Y106-G148 PolarHBondContact O-N 2.84Å
107	T	84.7	Confident	77.1	Confident	12 Å²	12	64.8 Å²	64.8	7%	0.074	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	124.3	177.8	-55.2	0	0	0	0	107.1	T99 V145 I146	T99-T107 PolarHBondContact N-O 3.31Å; T99-T107 PolarHBondContact O-N 3.49Å; T107-V145 HydrophobicContact CG2-CB 4.47Å; T107-V145 HydrophobicContact CG2-CG1 3.09Å; T107-I146 CarbonylContact C-O 3.55Å; T107-I146 WeakPolarHBondContact CA-O 3.48Å; T107-I146 VanDerWaalsContact CG2-O 3.26Å; T107-I146 WeakPolarHBondContact CG2-O 3.33Å
108	T	85.6	Confident	76.8	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	121.5	178.8	-58.6	0	0	0	0	108.9	V96 F97 I146 G148 K151 L154	V96-T108 HydrophobicContact CG1-CG2 3.61Å; F97-T108 CarbonylContact O-C 3.57Å; F97-T108 WeakPolarHBondContact O-CA 3.02Å; T108-I146 PolarHBondContact N-O 3.39Å; T108-I146 PolarHBondContact O-N 3.48Å; T108-G148 PolarHBondContact OG1-O 3.21Å; T108-K151 HydrophobicContact CG2-CG 4.16Å; T108-L154 HydrophobicContact CG2-CD2 3.91Å
109	S	85	Confident	76.7	Confident	14 Å²	14	65.7 Å²	65.7	10%	0.098	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	132.6	175.3	-59	0	0	0	0	109.7	V96 F97 I144	V96-S109 WeakPolarHBondContact CA-O 3.23Å; F97-S109 PolarHBondContact N-O 2.8Å; F97-S109 PolarHBondContact O-N 2.94Å; S109-I144 CarbonylContact C-O 3.54Å; S109-I144 WeakPolarHBondContact CA-O 3.03Å
110	V	84.5	Confident	76.7	Confident	1 Å²	1	65.1 Å²	65.1	1%	0.006	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	123.9	179.9	-170.2	0	0	0	0	108.3	I94 A95 V96 L113 E143 I144 I146 L154	I94-V110 HydrophobicContact CG2-CG1 3.83Å; A95-V110 WeakPolarHBondContact O-CA 3.22Å; V96-V110 HydrophobicContact CG2-CG1 4.31Å; V110-L113 HydrophobicContact CB-CD1 4.42Å; V110-L113 HydrophobicContact CG1-CD1 3.89Å; V110-L113 HydrophobicContact CG1-CD2 4.31Å; V110-L113 HydrophobicContact CG1-CG 3.96Å; V110-E143 CarbonylContact O-C 3.5Å; V110-E143 VanDerWaalsContact O-CA 3.31Å; V110-E143 WeakPolarHBondContact O-CA 3.3Å; V110-I144 PolarHBondContact N-O 3.09Å; V110-I144 PolarHBondContact O-N 2.78Å; V110-I146 HydrophobicContact CG2-CD1 4.43Å; V110-L154 HydrophobicContact CG2-CD1 4.37Å; V110-L154 HydrophobicContact CG2-CD2 3.23Å; V110-L154 HydrophobicContact CG2-CG 4.35Å
111	T	81.8	Confident	76.8	Confident	29 Å²	29	70.2 Å²	70.2	18%	0.178	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	147.2	179.3	71.3	0	0	0	0	110.7	I94 A95 F97 D142 E143	I94-T111 WeakPolarHBondContact CA-O 3.29Å; A95-T111 WeakPolarHBondContact CB-OG1 3.26Å; A95-T111 PolarHBondContact N-O 2.83Å; A95-T111 PolarHBondContact O-N 3.4Å; A95-T111 PolarHBondContact O-OG1 3.42Å; F97-T111 HydrophobicContact CD2-CG2 4.45Å; F97-T111 HydrophobicContact CE2-CG2 4.16Å; T111-D142 WeakPolarHBondContact CA-O 3.48Å; T111-E143 HydrophobicContact CG2-CB 4.1Å; T111-E143 HydrophobicContact CG2-CG 3.56Å
112	G	78.3	Confident	77.4	Confident	11 Å²	11	63.3 Å²	63.3	11%	0.113	34%	0.342	C	S	.	.			trans	97.7	6	173.9	0	0	0	0	0	115.7	S114 T115 F116 D142	G112-S114 VanDerWaalsContact C-N 3.28Å; G112-S114 PolarHBondContact O-N 2.8Å; G112-T115 PolarHBondContact O-N 2.83Å; G112-F116 WeakPolarHBondContact O-CD2 3.42Å; G112-D142 PolarHBondContact N-O 3.23Å
113	L	76.5	Confident	78.1	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-65.2	-31	177.2	-68.6	172.3	0	0	0	113.2	I94 V110 T115 F116 I118 L120 A123 F127 I144 L158	I94-L113 HydrophobicContact CD1-CD2 4.04Å; V110-L113 HydrophobicContact CB-CD1 4.42Å; V110-L113 HydrophobicContact CG1-CD1 3.89Å; V110-L113 HydrophobicContact CG1-CD2 4.31Å; V110-L113 HydrophobicContact CG1-CG 3.96Å; L113-T115 VanDerWaalsContact C-N 3.27Å; L113-T115 PolarHBondContact O-N 2.87Å; L113-F116 PolarHBondContact O-N 2.83Å; L113-I118 HydrophobicContact CD2-CD1 4.11Å; L113-I118 PolarHBondContact O-N 2.78Å; L113-L120 HydrophobicContact CB-CD2 4.07Å; L113-A123 HydrophobicContact CD1-CB 4.39Å; L113-F127 HydrophobicContact CD1-CE2 4.12Å; L113-I144 HydrophobicContact CD1-CD1 3.51Å; L113-I144 HydrophobicContact CD1-CG1 4.09Å; L113-L158 HydrophobicContact CD2-CD1 3.89Å
114	S	72.9	Confident	78.9	Confident	53 Å²	53	51.8 Å²	51.8	37%	0.371	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-65.6	-30.1	178.4	-172.9	0	0	0	0	112.8	G112 F116 G117 D142	G112-S114 VanDerWaalsContact C-N 3.28Å; G112-S114 PolarHBondContact O-N 2.8Å; S114-F116 PolarHBondContact O-N 2.9Å; S114-G117 PolarHBondContact O-N 3.39Å; S114-D142 WeakPolarHBondContact CB-OD1 3.28Å; S114-D142 WeakPolarHBondContact CB-OD2 3.31Å; S114-D142 PolarHBondContact OG-OD1 3.21Å; S114-D142 VanDerWaalsContact OG-OD1 3.09Å; S114-D142 PolarHBondContact OG-OD2 3.08Å
115	T	70.7	Confident	79.4	Confident	66 Å²	66	50.3 Å²	50.3	41%	0.405	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-67	-21	177.4	-48.4	0	0	0	0	112.8	Q92 G112 L113	Q92-T115 HydrophobicContact CB-CG2 3.81Å; Q92-T115 HydrophobicContact CG-CG2 3.6Å; Q92-T115 PolarHBondContact NE2-O 2.92Å; G112-T115 PolarHBondContact O-N 2.83Å; L113-T115 VanDerWaalsContact C-N 3.27Å; L113-T115 PolarHBondContact O-N 2.87Å
116	F	68.6	Low	79.8	Confident	31 Å²	31	45.5 Å²	45.5	14%	0.136	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-93.6	7.9	174.6	-66	-89.8	0	0	0	112.8	Q92 I94 G112 L113 S114 I118 I165 V169	Q92-F116 HydrophobicContact CB-CE1 4.33Å; Q92-F116 HydrophobicContact CB-CE2 4.23Å; Q92-F116 HydrophobicContact CB-CZ 3.81Å; I94-F116 HydrophobicContact CD1-CD2 3.79Å; I94-F116 HydrophobicContact CD1-CE2 3.66Å; I94-F116 HydrophobicContact CD1-CZ 4.28Å; I94-F116 HydrophobicContact CG1-CD2 3.82Å; I94-F116 HydrophobicContact CG1-CE2 3.33Å; I94-F116 HydrophobicContact CG1-CZ 4.11Å; G112-F116 WeakPolarHBondContact O-CD2 3.42Å; L113-F116 PolarHBondContact O-N 2.83Å; S114-F116 PolarHBondContact O-N 2.9Å; F116-I118 HydrophobicContact CB-CD1 3.95Å; F116-I118 HydrophobicContact CB-CG1 4.04Å; F116-I118 PolarHBondContact O-N 3.23Å; F116-I165 HydrophobicContact CD1-CG1 4.17Å; F116-I165 HydrophobicContact CE1-CG1 4.35Å; F116-I165 HydrophobicContact CG-CG1 4.42Å; F116-V169 HydrophobicContact CZ-CG1 3.76Å
117	G	69	Low	79.9	Confident	72 Å²	72	41 Å²	41	74%	0.742	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.4	15.5	-178.4	0	0	0	0	0	114.1	S114	S114-G117 PolarHBondContact O-N 3.39Å
118	I	72.1	Confident	80	Confident	15 Å²	15	41.4 Å²	41.4	8%	0.077	24%	0.244	C	C	.	.			trans	-82.2	123.8	179.1	-56.6	169.2	0	0	0	109	L113 F116 L120 A123 W162 I165	L113-I118 HydrophobicContact CD2-CD1 4.11Å; L113-I118 PolarHBondContact O-N 2.78Å; F116-I118 HydrophobicContact CB-CD1 3.95Å; F116-I118 HydrophobicContact CB-CG1 4.04Å; F116-I118 PolarHBondContact O-N 3.23Å; I118-L120 PolarHBondContact O-N 2.99Å; I118-A123 HydrophobicContact CG2-CB 3.9Å; I118-W162 HydrophobicContact CD1-CB 4.31Å; I118-W162 VanDerWaalsContact CD1-CD1 3.45Å; I118-W162 HydrophobicContact CD1-CD2 3.74Å; I118-W162 HydrophobicContact CD1-CG 3.59Å; I118-W162 HydrophobicContact CD1-CZ2 4.41Å; I118-W162 HydrophobicContact CG1-CG 4.32Å; I118-W162 HydrophobicContact CG2-CH2 4.42Å; I118-W162 HydrophobicContact CG2-CZ2 3.5Å; I118-W162 VanDerWaalsContact CG2-CZ2 3.5Å; I118-I165 HydrophobicContact CD1-CD1 4.01Å
119	D	80	Confident	80	Confident	95 Å²	95	49.4 Å²	49.4	51%	0.508	28%	0.281	S	S	.	.			trans	-63.7	117.7	173.7	174.6	35	0	0	0	110.8	K121 A122 A123	D119-K121 PolarHBondContact O-N 3.1Å; D119-K121 VanDerWaalsContact O-N 3.17Å; D119-K121 PolarHBondContact OD1-N 2.59Å; D119-A122 HydrophobicContact CB-CB 4.03Å; D119-A122 PolarHBondContact O-N 3.38Å; D119-A122 VanDerWaalsContact O-N 3.12Å; D119-A122 PolarHBondContact OD2-N 3.15Å; D119-A122 VanDerWaalsContact OD2-N 3.08Å; D119-A123 PolarHBondContact O-N 2.87Å
120	L	80.8	Confident	80	Confident	29 Å²	29	53 Å²	53	15%	0.152	30%	0.295	C	S	.	.	H	α-helix	trans	-57.1	-32.7	-179.2	-61.2	175.1	0	0	0	111.9	L113 I118 S124 V137 I144	L113-L120 HydrophobicContact CB-CD2 4.07Å; I118-L120 PolarHBondContact O-N 2.99Å; L120-S124 VanDerWaalsContact O-CB 3.23Å; L120-S124 WeakPolarHBondContact O-CB 3.02Å; L120-S124 PolarHBondContact O-N 3.47Å; L120-V137 HydrophobicContact CB-CG1 3.95Å; L120-V137 HydrophobicContact CB-CG2 4.06Å; L120-V137 HydrophobicContact CD1-CG1 3.93Å; L120-V137 WeakPolarHBondContact O-CG2 3.43Å; L120-I144 HydrophobicContact CB-CD1 4.5Å; L120-I144 HydrophobicContact CD2-CD1 4.16Å; L120-I144 HydrophobicContact CD2-CG1 4.17Å
121	K	81.5	Confident	79.9	Confident	156 Å²	156	54.1 Å²	54.1	68%	0.678	30%	0.3	S	S	*	.	H	α-helix	trans	-72.6	-43.3	178.2	-70.8	178.8	-178.5	172.3	0	111.7	D119 K125	D119-K121 PolarHBondContact O-N 3.1Å; D119-K121 VanDerWaalsContact O-N 3.17Å; D119-K121 PolarHBondContact OD1-N 2.59Å; K121-K125 WeakPolarHBondContact O-CG 3.43Å; K121-K125 PolarHBondContact O-N 2.85Å
122	A	83.1	Confident	80	Confident	43 Å²	43	57.4 Å²	57.4	36%	0.355	33%	0.33	S	S	.	.	H	α-helix	trans	-63.4	-47	174.4	0	0	0	0	0	111.8	D119 S124 K125 I126	D119-A122 HydrophobicContact CB-CB 4.03Å; D119-A122 PolarHBondContact O-N 3.38Å; D119-A122 VanDerWaalsContact O-N 3.12Å; D119-A122 PolarHBondContact OD2-N 3.15Å; D119-A122 VanDerWaalsContact OD2-N 3.08Å; A122-S124 VanDerWaalsContact C-N 3.35Å; A122-S124 PolarHBondContact O-N 3.38Å; A122-K125 PolarHBondContact O-N 3.3Å; A122-I126 WeakPolarHBondContact O-CG1 2.93Å; A122-I126 PolarHBondContact O-N 3.21Å; A122-I126 VanDerWaalsContact O-N 3.08Å
123	A	83.5	Confident	80.2	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-59.2	-45.6	177	0	0	0	0	0	111.5	L113 I118 D119 K125 I126 F127 I144 W162	L113-A123 HydrophobicContact CD1-CB 4.39Å; I118-A123 HydrophobicContact CG2-CB 3.9Å; D119-A123 PolarHBondContact O-N 2.87Å; A123-K125 VanDerWaalsContact C-N 3.32Å; A123-K125 PolarHBondContact O-N 2.88Å; A123-I126 PolarHBondContact O-N 2.87Å; A123-F127 HydrophobicContact CB-CD2 4.47Å; A123-F127 HydrophobicContact CB-CE2 3.95Å; A123-F127 WeakPolarHBondContact O-CD2 3.47Å; A123-F127 WeakPolarHBondContact O-CG 3.26Å; A123-F127 PolarHBondContact O-N 2.98Å; A123-I144 HydrophobicContact CB-CD1 3.76Å; A123-W162 HydrophobicContact CB-CH2 4.01Å; A123-W162 HydrophobicContact CB-CZ2 4.19Å
124	S	84.5	Confident	80.6	Confident	14 Å²	14	60.6 Å²	60.6	10%	0.098	36%	0.355	C	S	.	.	H	α-helix	trans	-56.8	-43.3	176.5	-174.4	0	0	0	0	112.5	L120 A122 F127 G128 S135	L120-S124 VanDerWaalsContact O-CB 3.23Å; L120-S124 WeakPolarHBondContact O-CB 3.02Å; L120-S124 PolarHBondContact O-N 3.47Å; A122-S124 VanDerWaalsContact C-N 3.35Å; A122-S124 PolarHBondContact O-N 3.38Å; S124-F127 PolarHBondContact O-N 3.24Å; S124-G128 PolarHBondContact O-N 3.39Å; S124-S135 PolarHBondContact O-OG 3.12Å; S124-S135 PolarHBondContact OG-O 2.91Å; S124-S135 PolarHBondContact OG-OG 3.17Å
125	K	84.4	Confident	81.1	Confident	166 Å²	166	59.3 Å²	59.3	72%	0.722	35%	0.346	S	S	*	.	H	α-helix	trans	-64.9	-40.5	177.1	-72.2	178.8	-179.4	-179.9	0	112.8	K121 A122 A123 G128 H129	K121-K125 WeakPolarHBondContact O-CG 3.43Å; K121-K125 PolarHBondContact O-N 2.85Å; A122-K125 PolarHBondContact O-N 3.3Å; A123-K125 VanDerWaalsContact C-N 3.32Å; A123-K125 PolarHBondContact O-N 2.88Å; K125-G128 PolarHBondContact O-N 3.29Å; K125-H129 PolarHBondContact O-N 3.25Å
126	I	85.5	Confident	81.6	Confident	54 Å²	54	59.3 Å²	59.3	28%	0.277	35%	0.349	S	S	.	.	H	α-helix	trans	-63.2	-45.9	178.1	-66	165.3	0	0	0	110.1	A122 A123 G128 H129 K130 V157 K161 W162	A122-I126 WeakPolarHBondContact O-CG1 2.93Å; A122-I126 PolarHBondContact O-N 3.21Å; A122-I126 VanDerWaalsContact O-N 3.08Å; A123-I126 PolarHBondContact O-N 2.87Å; I126-G128 PolarHBondContact O-N 3.02Å; I126-H129 PolarHBondContact O-N 2.97Å; I126-K130 HydrophobicContact CG2-CG 4.37Å; I126-K130 WeakPolarHBondContact O-CB 3.49Å; I126-K130 PolarHBondContact O-N 2.88Å; I126-V157 HydrophobicContact CG2-CG1 4.48Å; I126-K161 HydrophobicContact CG2-CG 4.36Å; I126-W162 HydrophobicContact CD1-CH2 4.18Å; I126-W162 HydrophobicContact CD1-CZ2 4.13Å
127	F	85.1	Confident	82.3	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-63.5	-41	176.7	-61.3	-42.3	0	0	0	111.9	L113 A123 S124 H129 K130 F131 I144 I146 L154 V157 W162	L113-F127 HydrophobicContact CD1-CE2 4.12Å; A123-F127 HydrophobicContact CB-CD2 4.47Å; A123-F127 HydrophobicContact CB-CE2 3.95Å; A123-F127 WeakPolarHBondContact O-CD2 3.47Å; A123-F127 WeakPolarHBondContact O-CG 3.26Å; A123-F127 PolarHBondContact O-N 2.98Å; S124-F127 PolarHBondContact O-N 3.24Å; F127-H129 VanDerWaalsContact C-N 3.33Å; F127-H129 PolarHBondContact O-N 2.82Å; F127-K130 PolarHBondContact O-N 2.79Å; F127-F131 HydrophobicContact CB-CD2 4.12Å; F127-F131 HydrophobicContact CB-CE2 4.26Å; F127-F131 AromaticContact CD1-CE2 3.88Å; F127-F131 HydrophobicContact CD1-CE2 3.88Å; F127-F131 HydrophobicContact CG-CE2 4.44Å; F127-F131 WeakPolarHBondContact O-CB 3.47Å; F127-F131 WeakPolarHBondContact O-CD2 3.37Å; F127-F131 PolarHBondContact O-N 3.4Å; F127-I144 HydrophobicContact CD2-CD1 4.45Å; F127-I144 HydrophobicContact CD2-CG2 4.23Å; F127-I144 HydrophobicContact CE2-CD1 4.19Å; F127-I146 HydrophobicContact CB-CD1 3.94Å; F127-I146 HydrophobicContact CB-CG1 4.46Å; F127-I146 HydrophobicContact CD1-CD1 4.46Å; F127-I146 HydrophobicContact CD2-CD1 3.96Å; F127-I146 HydrophobicContact CG-CD1 3.88Å; F127-L154 HydrophobicContact CD1-CD1 3.63Å; F127-L154 HydrophobicContact CE1-CD1 3.3Å; F127-L154 HydrophobicContact CE2-CD1 4.27Å; F127-L154 HydrophobicContact CG-CD1 4.27Å; F127-L154 HydrophobicContact CZ-CD1 3.66Å; F127-V157 HydrophobicContact CD1-CG1 4.2Å; F127-V157 HydrophobicContact CE1-CG1 3.98Å; F127-W162 HydrophobicContact CE1-CH2 4.41Å; F127-W162 HydrophobicContact CE1-CZ3 4.07Å; F127-W162 HydrophobicContact CZ-CH2 4.08Å; F127-W162 AromaticContact CZ-CZ3 3.9Å; F127-W162 HydrophobicContact CZ-CZ3 3.9Å
128	G	85.8	Confident	82.7	Confident	20 Å²	20	59.3 Å²	59.3	21%	0.206	34%	0.337	C	S	.	.	H	α-helix	trans	-61.4	-39.5	176.3	0	0	0	0	0	113.1	S124 K125 I126 A132 T133 S135	S124-G128 PolarHBondContact O-N 3.39Å; K125-G128 PolarHBondContact O-N 3.29Å; I126-G128 PolarHBondContact O-N 3.02Å; G128-A132 VanDerWaalsContact O-CA 3.26Å; G128-A132 WeakPolarHBondContact O-CA 3.35Å; G128-A132 PolarHBondContact O-N 2.79Å; G128-T133 WeakPolarHBondContact CA-O 3.37Å; G128-S135 PolarHBondContact N-OG 3.03Å
129	H	85.8	Confident	82.1	Confident	168 Å²	168	62.2 Å²	62.2	78%	0.778	37%	0.371	S	S	*	.	H	α-helix	trans	-76	-39.7	178.2	-172.1	-68.6	0	0	0	113.2	K125 I126 F127	K125-H129 PolarHBondContact O-N 3.25Å; I126-H129 PolarHBondContact O-N 2.97Å; F127-H129 VanDerWaalsContact C-N 3.33Å; F127-H129 PolarHBondContact O-N 2.82Å
130	K	85.6	Confident	81.3	Confident	89 Å²	89	65.2 Å²	65.2	39%	0.387	39%	0.387	S	S	.	.	H	α-helix	trans	-69.9	-40.4	-179.3	-79.8	-80	-164.8	160.4	0	112	I126 F127 V157 E160	I126-K130 HydrophobicContact CG2-CG 4.37Å; I126-K130 WeakPolarHBondContact O-CB 3.49Å; I126-K130 PolarHBondContact O-N 2.88Å; F127-K130 PolarHBondContact O-N 2.79Å; K130-V157 HydrophobicContact CB-CG2 4.39Å; K130-V157 HydrophobicContact CD-CG2 4.31Å; K130-V157 HydrophobicContact CG-CG1 4.41Å; K130-V157 HydrophobicContact CG-CG2 4.29Å; K130-E160 IonicContact NZ-OE1 3.24Å; K130-E160 PolarHBondContact NZ-OE1 3.43Å; K130-E160 IonicContact NZ-OE2 2.95Å; K130-E160 PolarHBondContact NZ-OE2 3.13Å
131	F	82.6	Confident	80.4	Confident	25 Å²	25	66 Å²	66	11%	0.11	40%	0.401	C	S	.	.	H	α-helix	trans	-96.4	-11	-175.9	-59.7	-52.7	0	0	0	113.9	F127 T133 I146 V150 E153 L154 V157	F127-F131 HydrophobicContact CB-CD2 4.12Å; F127-F131 HydrophobicContact CB-CE2 4.26Å; F127-F131 AromaticContact CD1-CE2 3.88Å; F127-F131 HydrophobicContact CD1-CE2 3.88Å; F127-F131 HydrophobicContact CG-CE2 4.44Å; F127-F131 WeakPolarHBondContact O-CB 3.47Å; F127-F131 WeakPolarHBondContact O-CD2 3.37Å; F127-F131 PolarHBondContact O-N 3.4Å; F131-T133 HydrophobicContact CB-CG2 4.02Å; F131-T133 WeakPolarHBondContact CB-OG1 3.35Å; F131-T133 WeakPolarHBondContact O-CG2 3.49Å; F131-T133 PolarHBondContact O-N 2.86Å; F131-T133 VanDerWaalsContact O-N 3.15Å; F131-I146 HydrophobicContact CD2-CG2 4.45Å; F131-V150 HydrophobicContact CB-CG1 4.31Å; F131-V150 HydrophobicContact CD1-CB 4.22Å; F131-V150 HydrophobicContact CD1-CG1 3.95Å; F131-V150 HydrophobicContact CD2-CB 4.48Å; F131-V150 HydrophobicContact CD2-CG2 4.45Å; F131-V150 HydrophobicContact CE1-CB 4.34Å; F131-V150 HydrophobicContact CG-CB 4.34Å; F131-V150 HydrophobicContact CG-CG1 3.98Å; F131-V150 HydrophobicContact CZ-CB 4.47Å; F131-E153 HydrophobicContact CD1-CB 4.25Å; F131-E153 WeakPolarHBondContact CD1-OE2 3.44Å; F131-E153 HydrophobicContact CE1-CB 3.35Å; F131-E153 HydrophobicContact CE1-CG 4.39Å; F131-E153 WeakPolarHBondContact CE1-OE2 3.43Å; F131-E153 HydrophobicContact CZ-CB 4Å; F131-L154 HydrophobicContact CE2-CD1 4.15Å; F131-L154 HydrophobicContact CZ-CB 4.31Å; F131-V157 HydrophobicContact CE1-CG2 4.26Å; F131-V157 HydrophobicContact CZ-CB 4.32Å; F131-V157 HydrophobicContact CZ-CG2 3.77Å
132	A	84.2	Confident	80	Confident	98 Å²	98	61.3 Å²	61.3	81%	0.81	38%	0.384	S	S	*	.			trans	52.8	28.7	-169.2	0	0	0	0	0	112.8	G128	G128-A132 VanDerWaalsContact O-CA 3.26Å; G128-A132 WeakPolarHBondContact O-CA 3.35Å; G128-A132 PolarHBondContact O-N 2.79Å
133	T	81.9	Confident	79.8	Confident	39 Å²	39	63.2 Å²	63.2	24%	0.239	39%	0.385	C	S	.	.	S	Bend	trans	-114.5	154.3	-178	55.7	0	0	0	0	111.3	G128 F131 S135 I146 Q147	G128-T133 WeakPolarHBondContact CA-O 3.37Å; F131-T133 HydrophobicContact CB-CG2 4.02Å; F131-T133 WeakPolarHBondContact CB-OG1 3.35Å; F131-T133 WeakPolarHBondContact O-CG2 3.49Å; F131-T133 PolarHBondContact O-N 2.86Å; F131-T133 VanDerWaalsContact O-N 3.15Å; T133-S135 PolarHBondContact O-N 3.19Å; T133-I146 WeakPolarHBondContact OG1-CG2 2.99Å; T133-Q147 WeakPolarHBondContact CB-O 3.29Å; T133-Q147 VanDerWaalsContact CG2-O 3.29Å; T133-Q147 WeakPolarHBondContact CG2-O 3.45Å
134	G	84.4	Confident	79.9	Confident	39 Å²	39	63.2 Å²	63.2	40%	0.402	39%	0.385	S	S	.	.			trans	-64	118.3	169.4	0	0	0	0	0	111.5	Q147	G134-Q147 WeakPolarHBondContact O-CG 3.37Å; G134-Q147 PolarHBondContact O-N 2.95Å
135	S	83.3	Confident	79.9	Confident	27 Å²	27	63.7 Å²	63.7	19%	0.189	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	128.2	169.3	46.2	0	0	0	0	109.4	S124 G128 T133 V145	S124-S135 PolarHBondContact O-OG 3.12Å; S124-S135 PolarHBondContact OG-O 2.91Å; S124-S135 PolarHBondContact OG-OG 3.17Å; G128-S135 PolarHBondContact N-OG 3.03Å; T133-S135 PolarHBondContact O-N 3.19Å; S135-V145 WeakPolarHBondContact CA-O 3.47Å
136	S	82.8	Confident	80.1	Confident	66 Å²	66	55.8 Å²	55.8	46%	0.462	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	132.4	178.3	60.4	0	0	0	0	110.6	V145	S136-V145 PolarHBondContact N-O 2.98Å; S136-V145 PolarHBondContact O-N 3.28Å
137	V	81.7	Confident	80	Confident	53 Å²	53	58.6 Å²	58.6	32%	0.321	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	121.2	168.8	-175	0	0	0	0	107.3	L120 G139 I144	L120-V137 HydrophobicContact CB-CG1 3.95Å; L120-V137 HydrophobicContact CB-CG2 4.06Å; L120-V137 HydrophobicContact CD1-CG1 3.93Å; L120-V137 WeakPolarHBondContact O-CG2 3.43Å; V137-G139 PolarHBondContact O-N 3.36Å; V137-I144 HydrophobicContact CG2-CG1 4.34Å
138	T	77.6	Confident	79.9	Confident	49 Å²	49	60 Å²	60	30%	0.301	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	122	173	-61.8	0	0	0	0	107.9	N140 E143 V145	T138-N140 HydrophobicContact CG2-CB 4.36Å; T138-N140 PolarHBondContact O-N 2.65Å; T138-E143 PolarHBondContact N-O 3.18Å; T138-V145 VanDerWaalsContact OG1-CG2 3.22Å; T138-V145 WeakPolarHBondContact OG1-CG2 3.43Å
139	G	60.5	Low	79.7	Confident	77 Å²	77	63.6 Å²	63.6	79%	0.794	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	7.1	-172.7	0	0	0	0	0	116.4	V137	V137-G139 PolarHBondContact O-N 3.36Å
140	N	63.6	Low	79.4	Confident	158 Å²	158	56.1 Å²	56.1	85%	0.845	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104	16.5	-173.3	-70.7	16	0	0	0	114	T138	T138-N140 HydrophobicContact CG2-CB 4.36Å; T138-N140 PolarHBondContact O-N 2.65Å
141	G	60.7	Low	79	Confident	44 Å²	44	53 Å²	53	45%	0.454	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	116.6	110.3	172.6	0	0	0	0	0	112.3	E143	G141-E143 VanDerWaalsContact C-N 3.26Å; G141-E143 VanDerWaalsContact O-CG 3.25Å; G141-E143 WeakPolarHBondContact O-CG 3.23Å; G141-E143 PolarHBondContact O-N 3.29Å
142	D	73.1	Confident	78.9	Confident	59 Å²	59	57.8 Å²	57.8	32%	0.316	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.9	28.5	163.2	-56.4	-19.2	0	0	0	119.3	T111 G112 S114	T111-D142 WeakPolarHBondContact CA-O 3.48Å; G112-D142 PolarHBondContact N-O 3.23Å; S114-D142 WeakPolarHBondContact CB-OD1 3.28Å; S114-D142 WeakPolarHBondContact CB-OD2 3.31Å; S114-D142 PolarHBondContact OG-OD1 3.21Å; S114-D142 VanDerWaalsContact OG-OD1 3.09Å; S114-D142 PolarHBondContact OG-OD2 3.08Å
143	E	79.2	Confident	78.8	Confident	82 Å²	82	58.4 Å²	58.4	38%	0.383	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	128.3	174.8	-47.5	-167.6	158.8	0	0	112	V110 T111 T138 G141	V110-E143 CarbonylContact O-C 3.5Å; V110-E143 VanDerWaalsContact O-CA 3.31Å; V110-E143 WeakPolarHBondContact O-CA 3.3Å; T111-E143 HydrophobicContact CG2-CB 4.1Å; T111-E143 HydrophobicContact CG2-CG 3.56Å; T138-E143 PolarHBondContact N-O 3.18Å; G141-E143 VanDerWaalsContact C-N 3.26Å; G141-E143 VanDerWaalsContact O-CG 3.25Å; G141-E143 WeakPolarHBondContact O-CG 3.23Å; G141-E143 PolarHBondContact O-N 3.29Å
144	I	84.9	Confident	78.8	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	127.3	169.4	-56.3	-173.1	0	0	0	108.8	S109 V110 L113 L120 A123 F127 V137 I146	S109-I144 CarbonylContact C-O 3.54Å; S109-I144 WeakPolarHBondContact CA-O 3.03Å; V110-I144 PolarHBondContact N-O 3.09Å; V110-I144 PolarHBondContact O-N 2.78Å; L113-I144 HydrophobicContact CD1-CD1 3.51Å; L113-I144 HydrophobicContact CD1-CG1 4.09Å; L120-I144 HydrophobicContact CB-CD1 4.5Å; L120-I144 HydrophobicContact CD2-CD1 4.16Å; L120-I144 HydrophobicContact CD2-CG1 4.17Å; A123-I144 HydrophobicContact CB-CD1 3.76Å; F127-I144 HydrophobicContact CD2-CD1 4.45Å; F127-I144 HydrophobicContact CD2-CG2 4.23Å; F127-I144 HydrophobicContact CE2-CD1 4.19Å; V137-I144 HydrophobicContact CG2-CG1 4.34Å; I144-I146 HydrophobicContact CG2-CG1 4.2Å
145	V	86.1	Confident	78.5	Confident	24 Å²	24	56.3 Å²	56.3	15%	0.145	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	120.1	-177.3	179.9	0	0	0	0	108.5	T107 S135 S136 T138	T107-V145 HydrophobicContact CG2-CB 4.47Å; T107-V145 HydrophobicContact CG2-CG1 3.09Å; S135-V145 WeakPolarHBondContact CA-O 3.47Å; S136-V145 PolarHBondContact N-O 2.98Å; S136-V145 PolarHBondContact O-N 3.28Å; T138-V145 VanDerWaalsContact OG1-CG2 3.22Å; T138-V145 WeakPolarHBondContact OG1-CG2 3.43Å
146	I	86.9	Confident	78.5	Confident	0 Å²	0	60 Å²	60	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	131.8	-178	-51.8	168.1	0	0	0	108.9	T107 T108 V110 F127 F131 T133 I144 V150 L154	T107-I146 CarbonylContact C-O 3.55Å; T107-I146 WeakPolarHBondContact CA-O 3.48Å; T107-I146 VanDerWaalsContact CG2-O 3.26Å; T107-I146 WeakPolarHBondContact CG2-O 3.33Å; T108-I146 PolarHBondContact N-O 3.39Å; T108-I146 PolarHBondContact O-N 3.48Å; V110-I146 HydrophobicContact CG2-CD1 4.43Å; F127-I146 HydrophobicContact CB-CD1 3.94Å; F127-I146 HydrophobicContact CB-CG1 4.46Å; F127-I146 HydrophobicContact CD1-CD1 4.46Å; F127-I146 HydrophobicContact CD2-CD1 3.96Å; F127-I146 HydrophobicContact CG-CD1 3.88Å; F131-I146 HydrophobicContact CD2-CG2 4.45Å; T133-I146 WeakPolarHBondContact OG1-CG2 2.99Å; I144-I146 HydrophobicContact CG2-CG1 4.2Å; I146-V150 HydrophobicContact CB-CG2 4.08Å; I146-V150 HydrophobicContact CD1-CG2 4.34Å; I146-V150 HydrophobicContact CG2-CG2 3.7Å; I146-L154 HydrophobicContact CD1-CD1 3.76Å; I146-L154 HydrophobicContact CD1-CD2 4.44Å
147	Q	85.1	Confident	78.4	Confident	113 Å²	113	57.2 Å²	57.2	53%	0.528	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	131.4	176.4	-66.8	179.9	-21.1	0	0	111	T133 G134	T133-Q147 WeakPolarHBondContact CB-O 3.29Å; T133-Q147 VanDerWaalsContact CG2-O 3.29Å; T133-Q147 WeakPolarHBondContact CG2-O 3.45Å; G134-Q147 WeakPolarHBondContact O-CG 3.37Å; G134-Q147 PolarHBondContact O-N 2.95Å
148	G	83	Confident	78.3	Confident	31 Å²	31	54.8 Å²	54.8	32%	0.32	32%	0.321	S	S	.	.	B	Isolated β-bridge	trans	106	173	179.8	0	0	0	0	0	113.2	Y106 T108 V150	Y106-G148 WeakPolarHBondContact O-CA 3.31Å; Y106-G148 PolarHBondContact O-N 2.84Å; T108-G148 PolarHBondContact OG1-O 3.21Å; G148-V150 PolarHBondContact O-N 3.07Å
149	D	80.9	Confident	78.3	Confident	94 Å²	94	55.1 Å²	55.1	50%	0.503	32%	0.32	S	S	.	.			trans	-95.8	79.9	171.2	-168.5	5.8	0	0	0	108.7	K151	D149-K151 WeakPolarHBondContact OD1-CG 3.2Å
150	V	80.1	Confident	79.2	Confident	12 Å²	12	57.1 Å²	57.1	7%	0.073	31%	0.309	C	S	.	.			trans	-101.8	23	-179.2	-65.8	0	0	0	0	111.7	F131 I146 G148 D152 E153 L154	F131-V150 HydrophobicContact CB-CG1 4.31Å; F131-V150 HydrophobicContact CD1-CB 4.22Å; F131-V150 HydrophobicContact CD1-CG1 3.95Å; F131-V150 HydrophobicContact CD2-CB 4.48Å; F131-V150 HydrophobicContact CD2-CG2 4.45Å; F131-V150 HydrophobicContact CE1-CB 4.34Å; F131-V150 HydrophobicContact CG-CB 4.34Å; F131-V150 HydrophobicContact CG-CG1 3.98Å; F131-V150 HydrophobicContact CZ-CB 4.47Å; I146-V150 HydrophobicContact CB-CG2 4.08Å; I146-V150 HydrophobicContact CD1-CG2 4.34Å; I146-V150 HydrophobicContact CG2-CG2 3.7Å; G148-V150 PolarHBondContact O-N 3.07Å; V150-D152 PolarHBondContact O-N 3.45Å; V150-E153 PolarHBondContact O-N 3.42Å; V150-L154 WeakPolarHBondContact O-CA 3.07Å; V150-L154 WeakPolarHBondContact O-CB 3.34Å; V150-L154 PolarHBondContact O-N 2.78Å
151	K	76.2	Confident	79.8	Confident	24 Å²	24	54.1 Å²	54.1	10%	0.104	29%	0.288	C	S	.	.	H	α-helix	trans	-55.9	-52.7	-172.7	-75.8	179.8	170	-118.9	0	113.1	K98 T108 D149 L154 I155 G174	K98-K151 HydrophobicContact CB-CD 4.44Å; K98-K151 HydrophobicContact CD-CD 4.48Å; T108-K151 HydrophobicContact CG2-CG 4.16Å; D149-K151 WeakPolarHBondContact OD1-CG 3.2Å; K151-L154 PolarHBondContact O-N 3.47Å; K151-I155 VanDerWaalsContact O-CG1 3.3Å; K151-I155 WeakPolarHBondContact O-CG1 3.33Å; K151-I155 PolarHBondContact O-N 3.08Å; K151-I155 VanDerWaalsContact O-N 3.08Å; K151-G174 PolarHBondContact NZ-O 2.91Å
152	D	79.7	Confident	80.3	Confident	125 Å²	125	53.8 Å²	53.8	67%	0.668	27%	0.274	S	S	*	.	H	α-helix	trans	-69.2	-41.1	-174.9	-60.6	-35.3	0	0	0	111	V150 I155 N156	V150-D152 PolarHBondContact O-N 3.45Å; D152-I155 PolarHBondContact O-N 3.17Å; D152-N156 PolarHBondContact O-N 3.15Å; D152-N156 VanDerWaalsContact O-N 3.16Å; D152-N156 PolarHBondContact O-ND2 3.41Å
153	E	83.2	Confident	80	Confident	111 Å²	111	56.2 Å²	56.2	52%	0.519	29%	0.293	S	S	.	.	H	α-helix	trans	-70	-35.3	178.4	-49.4	-176.4	178.1	0	0	112.1	F131 V150 N156 V157	F131-E153 HydrophobicContact CD1-CB 4.25Å; F131-E153 WeakPolarHBondContact CD1-OE2 3.44Å; F131-E153 HydrophobicContact CE1-CB 3.35Å; F131-E153 HydrophobicContact CE1-CG 4.39Å; F131-E153 WeakPolarHBondContact CE1-OE2 3.43Å; F131-E153 HydrophobicContact CZ-CB 4Å; V150-E153 PolarHBondContact O-N 3.42Å; E153-N156 WeakPolarHBondContact O-CB 3.19Å; E153-N156 PolarHBondContact O-N 3.03Å; E153-V157 WeakPolarHBondContact O-CG2 3.45Å; E153-V157 PolarHBondContact O-N 3.41Å
154	L	81.3	Confident	79.3	Confident	1 Å²	1	59.1 Å²	59.1	1%	0.005	31%	0.306	C	S	.	.	H	α-helix	trans	-63.1	-43.4	174.8	178.9	71.8	0	0	0	111.1	V96 T108 V110 F127 F131 I146 V150 K151 N156 V157 L158	V96-L154 HydrophobicContact CG1-CD2 3.9Å; V96-L154 HydrophobicContact CG2-CD2 4.3Å; T108-L154 HydrophobicContact CG2-CD2 3.91Å; V110-L154 HydrophobicContact CG2-CD1 4.37Å; V110-L154 HydrophobicContact CG2-CD2 3.23Å; V110-L154 HydrophobicContact CG2-CG 4.35Å; F127-L154 HydrophobicContact CD1-CD1 3.63Å; F127-L154 HydrophobicContact CE1-CD1 3.3Å; F127-L154 HydrophobicContact CE2-CD1 4.27Å; F127-L154 HydrophobicContact CG-CD1 4.27Å; F127-L154 HydrophobicContact CZ-CD1 3.66Å; F131-L154 HydrophobicContact CE2-CD1 4.15Å; F131-L154 HydrophobicContact CZ-CB 4.31Å; I146-L154 HydrophobicContact CD1-CD1 3.76Å; I146-L154 HydrophobicContact CD1-CD2 4.44Å; V150-L154 WeakPolarHBondContact O-CA 3.07Å; V150-L154 WeakPolarHBondContact O-CB 3.34Å; V150-L154 PolarHBondContact O-N 2.78Å; K151-L154 PolarHBondContact O-N 3.47Å; L154-N156 VanDerWaalsContact C-N 3.28Å; L154-N156 PolarHBondContact O-N 3.45Å; L154-V157 PolarHBondContact O-N 3.36Å; L154-L158 VanDerWaalsContact O-CB 3.24Å; L154-L158 WeakPolarHBondContact O-CB 3.39Å; L154-L158 PolarHBondContact O-N 2.99Å
155	I	78.6	Confident	78.2	Confident	32 Å²	32	59.4 Å²	59.4	16%	0.164	31%	0.307	C	S	.	.	H	α-helix	trans	-59.6	-43.7	175.4	-67.7	163.8	0	0	0	109.9	K151 D152 L158 I159 I170	K151-I155 VanDerWaalsContact O-CG1 3.3Å; K151-I155 WeakPolarHBondContact O-CG1 3.33Å; K151-I155 PolarHBondContact O-N 3.08Å; K151-I155 VanDerWaalsContact O-N 3.08Å; D152-I155 PolarHBondContact O-N 3.17Å; I155-L158 PolarHBondContact O-N 3.34Å; I155-I159 HydrophobicContact CG2-CD1 3.84Å; I155-I159 WeakPolarHBondContact O-CD1 3.34Å; I155-I159 VanDerWaalsContact O-CG1 3.26Å; I155-I159 WeakPolarHBondContact O-CG1 3.49Å; I155-I159 PolarHBondContact O-N 3.08Å; I155-I159 VanDerWaalsContact O-N 3.13Å; I155-I170 HydrophobicContact CG2-CD1 4.32Å
156	N	82.2	Confident	76.9	Confident	104 Å²	104	63.4 Å²	63.4	56%	0.556	33%	0.328	S	S	*	.	H	α-helix	trans	-63	-45.5	177.1	-67.3	-32.1	0	0	0	112.4	D152 E153 L154 L158 I159 E160	D152-N156 PolarHBondContact O-N 3.15Å; D152-N156 VanDerWaalsContact O-N 3.16Å; D152-N156 PolarHBondContact O-ND2 3.41Å; E153-N156 WeakPolarHBondContact O-CB 3.19Å; E153-N156 PolarHBondContact O-N 3.03Å; L154-N156 VanDerWaalsContact C-N 3.28Å; L154-N156 PolarHBondContact O-N 3.45Å; N156-L158 VanDerWaalsContact C-N 3.32Å; N156-L158 PolarHBondContact O-N 3.44Å; N156-I159 PolarHBondContact O-N 3Å; N156-E160 WeakPolarHBondContact O-CB 3.45Å; N156-E160 PolarHBondContact O-N 3.2Å
157	V	81.4	Confident	75.5	Confident	9 Å²	9	70.6 Å²	70.6	6%	0.055	36%	0.359	C	S	.	.	H	α-helix	trans	-65.3	-37	178.3	171.9	0	0	0	0	111.4	I126 F127 K130 F131 E153 L154 E160 K161	I126-V157 HydrophobicContact CG2-CG1 4.48Å; F127-V157 HydrophobicContact CD1-CG1 4.2Å; F127-V157 HydrophobicContact CE1-CG1 3.98Å; K130-V157 HydrophobicContact CB-CG2 4.39Å; K130-V157 HydrophobicContact CD-CG2 4.31Å; K130-V157 HydrophobicContact CG-CG1 4.41Å; K130-V157 HydrophobicContact CG-CG2 4.29Å; F131-V157 HydrophobicContact CE1-CG2 4.26Å; F131-V157 HydrophobicContact CZ-CB 4.32Å; F131-V157 HydrophobicContact CZ-CG2 3.77Å; E153-V157 WeakPolarHBondContact O-CG2 3.45Å; E153-V157 PolarHBondContact O-N 3.41Å; L154-V157 PolarHBondContact O-N 3.36Å; V157-E160 PolarHBondContact O-N 2.95Å; V157-K161 HydrophobicContact CG1-CG 4.12Å; V157-K161 WeakPolarHBondContact O-CB 3.26Å; V157-K161 WeakPolarHBondContact O-CG 3.24Å; V157-K161 PolarHBondContact O-N 3.5Å
158	L	79.2	Confident	74.1	Confident	1 Å²	1	72.4 Å²	72.4	1%	0.005	37%	0.373	C	S	.	.	H	α-helix	trans	-63.5	-45.5	179.6	-164.6	63	0	0	0	110.7	I94 L113 L154 I155 N156 W162 I165 I170	I94-L158 HydrophobicContact CD1-CD2 4Å; I94-L158 HydrophobicContact CG2-CD2 4.18Å; L113-L158 HydrophobicContact CD2-CD1 3.89Å; L154-L158 VanDerWaalsContact O-CB 3.24Å; L154-L158 WeakPolarHBondContact O-CB 3.39Å; L154-L158 PolarHBondContact O-N 2.99Å; I155-L158 PolarHBondContact O-N 3.34Å; N156-L158 VanDerWaalsContact C-N 3.32Å; N156-L158 PolarHBondContact O-N 3.44Å; L158-W162 HydrophobicContact CD1-CD2 4.49Å; L158-W162 HydrophobicContact CD1-CE3 3.61Å; L158-W162 HydrophobicContact CD1-CZ3 3.93Å; L158-W162 PolarHBondContact O-N 3.43Å; L158-I165 HydrophobicContact CD1-CD1 3.33Å; L158-I165 HydrophobicContact CD2-CD1 4.09Å; L158-I165 HydrophobicContact CD2-CG2 3.98Å; L158-I165 HydrophobicContact CG-CB 4.44Å; L158-I165 HydrophobicContact CG-CD1 3.51Å; L158-I165 HydrophobicContact CG-CG2 4.14Å; L158-I170 HydrophobicContact CD2-CD1 3.84Å; L158-I170 HydrophobicContact CD2-CG1 4.19Å
159	I	78.4	Confident	73.1	Confident	56 Å²	56	72.4 Å²	72.4	29%	0.287	37%	0.367	S	S	.	.	H	α-helix	trans	-66.3	-39.3	175.8	-62	159.5	0	0	0	111.4	I155 N156 K167	I155-I159 HydrophobicContact CG2-CD1 3.84Å; I155-I159 WeakPolarHBondContact O-CD1 3.34Å; I155-I159 VanDerWaalsContact O-CG1 3.26Å; I155-I159 WeakPolarHBondContact O-CG1 3.49Å; I155-I159 PolarHBondContact O-N 3.08Å; I155-I159 VanDerWaalsContact O-N 3.13Å; N156-I159 PolarHBondContact O-N 3Å; I159-K167 HydrophobicContact CD1-CD 4.35Å; I159-K167 HydrophobicContact CD1-CG 3.91Å; I159-K167 HydrophobicContact CG1-CG 4.44Å
160	E	80.3	Confident	72.3	Confident	119 Å²	119	68.6 Å²	68.6	56%	0.556	35%	0.346	S	S	*	.	H	α-helix	trans	-68.4	-39	-179.3	-168.2	-163.3	151.2	0	0	112.4	K130 N156 V157	K130-E160 IonicContact NZ-OE1 3.24Å; K130-E160 PolarHBondContact NZ-OE1 3.43Å; K130-E160 IonicContact NZ-OE2 2.95Å; K130-E160 PolarHBondContact NZ-OE2 3.13Å; N156-E160 WeakPolarHBondContact O-CB 3.45Å; N156-E160 PolarHBondContact O-N 3.2Å; V157-E160 PolarHBondContact O-N 2.95Å
161	K	75.6	Confident	71.5	Confident	96 Å²	96	72 Å²	72	42%	0.417	36%	0.361	S	S	.	.	H	α-helix	trans	-93	-31.4	-173.1	-69.7	-59.2	-175.1	-164.2	0	113.9	I126 V157	I126-K161 HydrophobicContact CG2-CG 4.36Å; V157-K161 HydrophobicContact CG1-CG 4.12Å; V157-K161 WeakPolarHBondContact O-CB 3.26Å; V157-K161 WeakPolarHBondContact O-CG 3.24Å; V157-K161 PolarHBondContact O-N 3.5Å
162	W	71.7	Confident	70.9	Confident	37 Å²	37	75.3 Å²	75.3	14%	0.14	38%	0.38	C	S	.	.			trans	-130.7	86.9	-177	-63.6	-80	0	0	0	109	I118 A123 I126 F127 L158 E164 I165	I118-W162 HydrophobicContact CD1-CB 4.31Å; I118-W162 VanDerWaalsContact CD1-CD1 3.45Å; I118-W162 HydrophobicContact CD1-CD2 3.74Å; I118-W162 HydrophobicContact CD1-CG 3.59Å; I118-W162 HydrophobicContact CD1-CZ2 4.41Å; I118-W162 HydrophobicContact CG1-CG 4.32Å; I118-W162 HydrophobicContact CG2-CH2 4.42Å; I118-W162 HydrophobicContact CG2-CZ2 3.5Å; I118-W162 VanDerWaalsContact CG2-CZ2 3.5Å; A123-W162 HydrophobicContact CB-CH2 4.01Å; A123-W162 HydrophobicContact CB-CZ2 4.19Å; I126-W162 HydrophobicContact CD1-CH2 4.18Å; I126-W162 HydrophobicContact CD1-CZ2 4.13Å; F127-W162 HydrophobicContact CE1-CH2 4.41Å; F127-W162 HydrophobicContact CE1-CZ3 4.07Å; F127-W162 HydrophobicContact CZ-CH2 4.08Å; F127-W162 AromaticContact CZ-CZ3 3.9Å; F127-W162 HydrophobicContact CZ-CZ3 3.9Å; L158-W162 HydrophobicContact CD1-CD2 4.49Å; L158-W162 HydrophobicContact CD1-CE3 3.61Å; L158-W162 HydrophobicContact CD1-CZ3 3.93Å; L158-W162 PolarHBondContact O-N 3.43Å; W162-E164 PolarHBondContact O-N 3.37Å; W162-I165 HydrophobicContact CB-CD1 3.6Å; W162-I165 HydrophobicContact CB-CG1 4.06Å; W162-I165 HydrophobicContact CG-CD1 4.26Å; W162-I165 PolarHBondContact O-N 3.4Å
163	P	65.5	Low	69.9	Low	110 Å²	110	73.4 Å²	73.4	71%	0.714	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-8.8	176.8	28.5	-35.7	0	0	0	112.9	I165	P163-I165 PolarHBondContact O-N 3.05Å
164	E	64.4	Low	68.9	Low	143 Å²	143	69.8 Å²	69.8	67%	0.668	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-12.2	171.8	-64.9	-179.7	-178.8	0	0	113.1	W162	W162-E164 PolarHBondContact O-N 3.37Å
165	I	62.3	Low	67.6	Low	5 Å²	5	75.4 Å²	75.4	3%	0.026	39%	0.388	C	S	.	.	S	Bend	trans	-100.2	99.4	-179.1	-58.7	168.2	0	0	0	108.9	I94 F116 I118 L158 W162 P163 I170	I94-I165 HydrophobicContact CD1-CB 4.29Å; I94-I165 HydrophobicContact CD1-CD1 3.3Å; I94-I165 HydrophobicContact CD1-CG1 3.66Å; I94-I165 HydrophobicContact CD1-CG2 3.63Å; F116-I165 HydrophobicContact CD1-CG1 4.17Å; F116-I165 HydrophobicContact CE1-CG1 4.35Å; F116-I165 HydrophobicContact CG-CG1 4.42Å; I118-I165 HydrophobicContact CD1-CD1 4.01Å; L158-I165 HydrophobicContact CD1-CD1 3.33Å; L158-I165 HydrophobicContact CD2-CD1 4.09Å; L158-I165 HydrophobicContact CD2-CG2 3.98Å; L158-I165 HydrophobicContact CG-CB 4.44Å; L158-I165 HydrophobicContact CG-CD1 3.51Å; L158-I165 HydrophobicContact CG-CG2 4.14Å; W162-I165 HydrophobicContact CB-CD1 3.6Å; W162-I165 HydrophobicContact CB-CG1 4.06Å; W162-I165 HydrophobicContact CG-CD1 4.26Å; W162-I165 PolarHBondContact O-N 3.4Å; P163-I165 PolarHBondContact O-N 3.05Å; I165-I170 HydrophobicContact CG2-CD1 4.09Å; I165-I170 HydrophobicContact CG2-CG1 3.94Å
166	D	58.2	Low	66.3	Low	109 Å²	109	78.3 Å²	78.3	58%	0.583	40%	0.402	S	S	*	.			trans	-67.6	144.4	170.8	-81.6	-39.3	0	0	0	111.4	D168 V169	D166-D168 PolarHBondContact O-N 3.06Å; D166-D168 VanDerWaalsContact O-N 3.07Å; D166-V169 HydrophobicContact CB-CG2 3.97Å; D166-V169 VanDerWaalsContact O-CB 3.31Å; D166-V169 WeakPolarHBondContact O-CB 3.34Å; D166-V169 PolarHBondContact O-N 3.29Å
167	K	57.3	Low	64.4	Low	150 Å²	150	81.7 Å²	81.7	65%	0.652	41%	0.412	S	S	*	.	G	3₁₀ helix	trans	-55	-29	178.7	-70.6	179.9	177.4	-177.7	0	113.1	I159 V169 I170	I159-K167 HydrophobicContact CD1-CD 4.35Å; I159-K167 HydrophobicContact CD1-CG 3.91Å; I159-K167 HydrophobicContact CG1-CG 4.44Å; K167-V169 PolarHBondContact O-N 2.88Å; K167-I170 PolarHBondContact O-N 3.26Å
168	D	56.3	Low	62.5	Low	151 Å²	151	94.2 Å²	94.2	81%	0.807	46%	0.458	S	S	*	.	G	3₁₀ helix	trans	-76.1	-12.3	-178.5	-64.8	-30.8	0	0	0	113.3	D166	D166-D168 PolarHBondContact O-N 3.06Å; D166-D168 VanDerWaalsContact O-N 3.07Å
169	V	61.4	Low	61.7	Low	32 Å²	32	98.9 Å²	98.9	19%	0.194	48%	0.481	C	S	.	.	G	3₁₀ helix	trans	-92.5	-11.7	-178.1	-175.7	0	0	0	0	111.6	Q92 Q93 I94 F116 D166 K167 E171	Q92-V169 WeakPolarHBondContact O-CG1 3.25Å; Q93-V169 HydrophobicContact CB-CG1 4.41Å; Q93-V169 HydrophobicContact CG-CG1 4.24Å; I94-V169 PolarHBondContact N-O 3.43Å; F116-V169 HydrophobicContact CZ-CG1 3.76Å; D166-V169 HydrophobicContact CB-CG2 3.97Å; D166-V169 VanDerWaalsContact O-CB 3.31Å; D166-V169 WeakPolarHBondContact O-CB 3.34Å; D166-V169 PolarHBondContact O-N 3.29Å; K167-V169 PolarHBondContact O-N 2.88Å; V169-E171 PolarHBondContact O-N 3.41Å
170	I	64.6	Low	60.8	Low	14 Å²	14	101.1 Å²	101.1	7%	0.072	49%	0.491	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	99.2	179.3	-56	170.4	0	0	0	109	I94 V96 I155 L158 I165 K167 N172	I94-I170 CarbonylContact O-C 3.51Å; I94-I170 VanDerWaalsContact O-CA 3.28Å; I94-I170 WeakPolarHBondContact O-CA 3.22Å; V96-I170 HydrophobicContact CG2-CG2 4.03Å; I155-I170 HydrophobicContact CG2-CD1 4.32Å; L158-I170 HydrophobicContact CD2-CD1 3.84Å; L158-I170 HydrophobicContact CD2-CG1 4.19Å; I165-I170 HydrophobicContact CG2-CD1 4.09Å; I165-I170 HydrophobicContact CG2-CG1 3.94Å; K167-I170 PolarHBondContact O-N 3.26Å; I170-N172 PolarHBondContact O-N 3.47Å
171	E	63.1	Low	59.7	Low	83 Å²	83	100.1 Å²	100.1	39%	0.388	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	103	171.4	-71.3	-168.3	175.9	0	0	109.6	Q93 I94 A95 V96 V169 L173	Q93-E171 PolarHBondContact NE2-OE1 3.2Å; Q93-E171 PolarHBondContact OE1-OE1 3.46Å; I94-E171 PolarHBondContact O-N 3.16Å; A95-E171 WeakPolarHBondContact CA-O 3.15Å; V96-E171 PolarHBondContact N-O 2.84Å; V96-E171 VanDerWaalsContact N-O 3.1Å; V169-E171 PolarHBondContact O-N 3.41Å; E171-L173 HydrophobicContact CB-CD1 4.28Å; E171-L173 PolarHBondContact O-N 2.93Å
172	N	64.6	Low	58.8	Low	94 Å²	94	100.4 Å²	100.4	50%	0.503	49%	0.491	S	S	.	.			trans	-71.9	80.3	169.2	-74	-54.2	0	0	0	109.7	I170 G174	I170-N172 PolarHBondContact O-N 3.47Å; N172-G174 PolarHBondContact O-N 2.95Å
173	L	59.1	Low	58	Low	85 Å²	85	104.3 Å²	104.3	45%	0.445	51%	0.513	S	S	.	.			trans	-78.1	69	171.6	-82	147.8	0	0	0	109.5	A95 V96 F97 E171	A95-L173 HydrophobicContact CB-CD1 4.02Å; V96-L173 PolarHBondContact O-N 3.34Å; F97-L173 HydrophobicContact CD1-CB 3.26Å; F97-L173 HydrophobicContact CD1-CD1 4.49Å; F97-L173 HydrophobicContact CD1-CG 4.41Å; F97-L173 VanDerWaalsContact CD1-O 3.23Å; F97-L173 WeakPolarHBondContact CD1-O 3.43Å; F97-L173 HydrophobicContact CE1-CB 3.01Å; F97-L173 HydrophobicContact CE1-CD1 3.43Å; F97-L173 VanDerWaalsContact CE1-CD1 3.43Å; F97-L173 HydrophobicContact CE1-CD2 4.28Å; F97-L173 HydrophobicContact CE1-CG 3.71Å; F97-L173 HydrophobicContact CE2-CD1 4.49Å; F97-L173 HydrophobicContact CG-CB 4.22Å; F97-L173 HydrophobicContact CZ-CB 3.78Å; F97-L173 HydrophobicContact CZ-CD1 3.41Å; F97-L173 VanDerWaalsContact CZ-CD1 3.41Å; F97-L173 HydrophobicContact CZ-CG 4.18Å; E171-L173 HydrophobicContact CB-CD1 4.28Å; E171-L173 PolarHBondContact O-N 2.93Å
174	G	62.1	Low	57.5	Low	35 Å²	35	103.9 Å²	103.9	36%	0.361	50%	0.5	S	S	.	.			trans	23	-125.1	164.3	0	0	0	0	0	116.5	K98 K151 N172	K98-G174 VanDerWaalsContact CG-O 3.26Å; K98-G174 WeakPolarHBondContact CG-O 3.49Å; K98-G174 PolarHBondContact N-O 3.05Å; K98-G174 VanDerWaalsContact N-O 3.15Å; K151-G174 PolarHBondContact NZ-O 2.91Å; N172-G174 PolarHBondContact O-N 2.95Å
175	E	53	Low	57	Low	118 Å²	118	101.1 Å²	101.1	55%	0.551	49%	0.488	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.8	99.5	-166.5	-151.1	165.1	-110.4	0	0	108.3	K98 K177	K98-E175 HydrophobicContact CD-CB 4.19Å; K98-E175 HydrophobicContact CD-CG 3.67Å; K98-E175 WeakPolarHBondContact CD-OE1 3.26Å; K98-E175 WeakPolarHBondContact CE-OE1 3.39Å; K98-E175 HydrophobicContact CG-CB 4.08Å; K98-E175 HydrophobicContact CG-CG 3.8Å; K98-E175 IonicContact NZ-OE1 2.59Å; K98-E175 PolarHBondContact NZ-OE1 3.32Å; E175-K177 PolarHBondContact O-N 2.98Å; E175-K177 VanDerWaalsContact O-N 3.11Å
176	M	51	Low	56.6	Low	93 Å²	93	108.5 Å²	108.5	46%	0.458	52%	0.523	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	89.6	173.6	-148.1	178.5	103.8	0	0	108.2	K98 R178	K98-M176 PolarHBondContact O-N 2.95Å; M176-R178 HydrophobicContact CE-CG 4.21Å; M176-R178 PolarHBondContact O-N 3.24Å; M176-R178 VanDerWaalsContact O-N 3.17Å
177	K	42.2	Very low	56.4	Low	175 Å²	175	108.5 Å²	108.5	76%	0.761	52%	0.518	S	S	*	.			trans	-73.7	99.4	171.3	-162.5	174.8	-175.1	177.4	0	107.9	E175	E175-K177 PolarHBondContact O-N 2.98Å; E175-K177 VanDerWaalsContact O-N 3.11Å
178	R	42.6	Very low	56.4	Low	272 Å²	272	104.7 Å²	104.7	100%	1.026	51%	0.506	S	S	*	.			trans	-77.9	0	155.8	-83.4	-168	179.9	-176.8	3.2	109.6	M176	M176-R178 HydrophobicContact CE-CG 4.21Å; M176-R178 PolarHBondContact O-N 3.24Å; M176-R178 VanDerWaalsContact O-N 3.17Å

Retrieved 178 of 178 residues in 56.3 ms (Link to these results)

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