A0A077Z2J6_TRITR Loading...

DNA repair and recombination protein RAD54B

AlphaFold DB , UniProt , Accession A0A077Z2J6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 205 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	43.3	Very low	48.7	Very low	236 Å²	236	144.2 Å²	144.2	100%	1.163	83%	0.834	S	S	*	*				0	120.9	0	-77.7	-178.4	141.4	0	0	108.9
2	L	49.9	Very low	48.2	Very low	141 Å²	141	139.7 Å²	139.7	74%	0.738	83%	0.827	S	S	*	*			trans	54	111.5	152.7	-63.5	159.1	0	0	0	121
3	K	51.6	Low	47.6	Very low	185 Å²	185	138.2 Å²	138.2	80%	0.804	82%	0.82	S	S	*	*			trans	74.9	105.3	131.8	-61	171.2	174.1	176	0	117
4	S	46.7	Very low	47.7	Very low	113 Å²	113	138.7 Å²	138.7	79%	0.79	82%	0.816	S	S	*	*				73.7	105.9	66.5	-173.7	0	0	0	0	114.4
5	A	44.2	Very low	47.2	Very low	93 Å²	93	139.3 Å²	139.3	77%	0.769	81%	0.814	S	S	*	*			trans	46.3	120.2	133.2	0	0	0	0	0	121.3
6	A	55.2	Low	46.8	Very low	99 Å²	99	138.8 Å²	138.8	82%	0.818	81%	0.807	S	S	*	*				-163	124.9	120.7	0	0	0	0	0	110.1
7	P	51.1	Low	46	Very low	121 Å²	121	141.1 Å²	141.1	79%	0.786	81%	0.805	S	S	*	*			trans	-91.1	131.4	161.9	32.8	-25.1	0	0	0	109.6	R9	P7-R9 PolarHBondContact O-N 3.16Å; P7-R9 VanDerWaalsContact O-N 3.15Å
8	S	47.5	Very low	45.5	Very low	125 Å²	125	139.1 Å²	139.1	87%	0.874	80%	0.795	S	S	*	*			trans	-76	104	176.6	-172.9	0	0	0	0	111
9	R	50.5	Low	44.8	Very low	216 Å²	216	139.6 Å²	139.6	82%	0.815	79%	0.79	S	S	*	*			trans	4.6	123.4	140.6	-66.3	177.4	174.1	-173.8	-3.6	115.7	P7	P7-R9 PolarHBondContact O-N 3.16Å; P7-R9 VanDerWaalsContact O-N 3.15Å
10	L	51.1	Low	44.4	Very low	167 Å²	167	142.7 Å²	142.7	87%	0.874	79%	0.79	S	S	*	*				51.1	136.7	84.5	-64.5	171.8	0	0	0	112
11	A	44.3	Very low	43.8	Very low	90 Å²	90	141.8 Å²	141.8	74%	0.744	79%	0.791	S	S	*	*			cis	179.8	-176.5	-0.1	0	0	0	0	0	105.2
12	A	43.8	Very low	43.3	Very low	90 Å²	90	139.8 Å²	139.8	74%	0.744	78%	0.776	S	S	*	*			trans	94.6	96.1	174.6	0	0	0	0	0	113.7
13	T	40.4	Very low	42.5	Very low	121 Å²	121	142.4 Å²	142.4	74%	0.742	78%	0.784	S	S	*	*				52.8	105.2	62.3	-45.3	0	0	0	0	111.3
14	L	48.2	Very low	41.7	Very low	145 Å²	145	142.7 Å²	142.7	76%	0.759	79%	0.789	S	S	*	*				-168.2	100	121	-97.7	167	0	0	0	108.7	N16	L14-N16 PolarHBondContact O-N 3.15Å
15	D	39.7	Very low	40.9	Very low	148 Å²	148	146 Å²	146	79%	0.791	79%	0.789	S	S	*	*			trans	-54.7	115.4	152.6	-54.1	-61.8	0	0	0	107.9
16	N	41.3	Very low	40.2	Very low	130 Å²	130	146.2 Å²	146.2	70%	0.695	79%	0.791	S	S	*	*			trans	-124.6	86.4	160.7	-98.8	-32.5	0	0	0	108.2	L14 V18	L14-N16 PolarHBondContact O-N 3.15Å; N16-V18 PolarHBondContact O-N 2.89Å
17	K	33.3	Very low	39.3	Very low	178 Å²	178	148.4 Å²	148.4	77%	0.774	79%	0.788	S	S	*	*			trans	-55.9	85.2	156.4	-176.2	-174.6	-179.8	-171.9	0	108.2	Q19	K17-Q19 PolarHBondContact O-N 3.26Å; K17-Q19 VanDerWaalsContact O-N 3.16Å
18	V	37.1	Very low	38.6	Very low	105 Å²	105	149.9 Å²	149.9	64%	0.636	79%	0.785	S	S	*	*			trans	-80.2	98.2	166	-179.6	0	0	0	0	106.8	N16 Y20	N16-V18 PolarHBondContact O-N 2.89Å; V18-Y20 PolarHBondContact O-N 3.23Å
19	Q	31.9	Very low	38	Very low	150 Å²	150	150.7 Å²	150.7	70%	0.701	78%	0.778	S	S	*	*			trans	-65.2	108.2	171.6	-153.7	151.8	-48.2	0	0	107.6	K17	K17-Q19 PolarHBondContact O-N 3.26Å; K17-Q19 VanDerWaalsContact O-N 3.16Å
20	Y	36.3	Very low	37.4	Very low	201 Å²	201	145.6 Å²	145.6	79%	0.788	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-64.3	132.7	171.9	-67.2	-84.9	0	0	0	108.9	V18 K22	V18-Y20 PolarHBondContact O-N 3.23Å; Y20-K22 PolarHBondContact O-N 3.25Å
21	P	33.3	Very low	36.8	Very low	124 Å²	124	144 Å²	144	81%	0.805	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-60.6	128.7	174.8	-3.6	14.1	0	0	0	108.8	Q23	P21-Q23 PolarHBondContact O-N 3.49Å
22	K	31.2	Very low	36.7	Very low	194 Å²	194	142.1 Å²	142.1	84%	0.843	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-54.9	133.9	167.7	-79.9	174.3	172	176.6	0	109.3	Y20 E24	Y20-K22 PolarHBondContact O-N 3.25Å; K22-E24 PolarHBondContact O-N 3.33Å
23	Q	33	Very low	37	Very low	196 Å²	196	141.8 Å²	141.8	92%	0.916	74%	0.738	S	S	*	*			trans	-5.9	108	158.2	-64.5	173.5	-57.9	0	0	115	P21	P21-Q23 PolarHBondContact O-N 3.49Å
24	E	36.5	Very low	37.7	Very low	191 Å²	191	141.1 Å²	141.1	89%	0.893	73%	0.727	S	S	*	*			trans	-115	104	149.1	-94.7	-178.3	156.9	0	0	108	K22	K22-E24 PolarHBondContact O-N 3.33Å
25	K	28.8	Very low	38	Very low	182 Å²	182	136.9 Å²	136.9	79%	0.791	71%	0.713	S	S	*	*			trans	50.6	108.6	142.1	-130.7	171.5	-179.5	-178.3	0	117.2	D27	K25-D27 VanDerWaalsContact C-N 3.34Å; K25-D27 PolarHBondContact O-N 2.9Å
26	A	30.7	Very low	39.5	Very low	98 Å²	98	135.4 Å²	135.4	81%	0.81	70%	0.704	S	S	*	*			trans	-53	97.9	156.5	0	0	0	0	0	109.4	E28	A26-E28 PolarHBondContact O-N 3.33Å
27	D	36	Very low	41.4	Very low	145 Å²	145	130.4 Å²	130.4	78%	0.775	68%	0.679	S	S	*	*			trans	-74.3	110.3	155.5	-78	-18.2	0	0	0	106.4	K25 I29	K25-D27 VanDerWaalsContact C-N 3.34Å; K25-D27 PolarHBondContact O-N 2.9Å; D27-I29 PolarHBondContact O-N 3.37Å
28	E	36.2	Very low	43.9	Very low	151 Å²	151	127.5 Å²	127.5	71%	0.706	67%	0.672	S	S	*	*			trans	-31.3	125.2	170	-63.6	173.9	152.7	0	0	111.8	A26 L30	A26-E28 PolarHBondContact O-N 3.33Å; E28-L30 HydrophobicContact CB-CD2 4.31Å; E28-L30 HydrophobicContact CB-CG 3.93Å; E28-L30 PolarHBondContact O-N 2.74Å
29	I	35.2	Very low	46.4	Very low	142 Å²	142	126 Å²	126	73%	0.728	66%	0.655	S	S	*	*			trans	-66.4	81.3	164.1	-60	171.6	0	0	0	106.4	D27	D27-I29 PolarHBondContact O-N 3.37Å
30	L	37.3	Very low	49.2	Very low	109 Å²	109	120 Å²	120	57%	0.571	63%	0.627	S	S	*	*			trans	-75.7	147.1	174.1	-72.7	170.9	0	0	0	109.4	E28 G32	E28-L30 HydrophobicContact CB-CD2 4.31Å; E28-L30 HydrophobicContact CB-CG 3.93Å; E28-L30 PolarHBondContact O-N 2.74Å; L30-G32 PolarHBondContact O-N 3.34Å
31	P	37.8	Very low	51.8	Low	133 Å²	133	110.4 Å²	110.4	86%	0.864	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.9	24.9	-164.8	29.3	-36.4	0	0	0	115.9
32	G	42.3	Very low	54.6	Low	51 Å²	51	106.5 Å²	106.5	53%	0.526	56%	0.56	S	S	.	*	T	Hydrogen-bonded Turn	trans	-99.3	-11.5	-175.6	0	0	0	0	0	116.2	L30 H34 A35	L30-G32 PolarHBondContact O-N 3.34Å; G32-H34 VanDerWaalsContact C-N 3.28Å; G32-H34 PolarHBondContact O-N 2.9Å; G32-A35 WeakPolarHBondContact O-CB 3.43Å; G32-A35 PolarHBondContact O-N 2.9Å
33	Q	50.8	Low	57.6	Low	83 Å²	83	97.3 Å²	97.3	39%	0.388	52%	0.52	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-16.7	-170.7	-67.5	-169.4	19.2	0	0	114.5
34	H	54.1	Low	60.5	Low	108 Å²	108	88.3 Å²	88.3	50%	0.5	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	3.8	174.6	-65.1	-65.9	0	0	0	114.4	G32 N36 C37 H40	G32-H34 VanDerWaalsContact C-N 3.28Å; G32-H34 PolarHBondContact O-N 2.9Å; H34-N36 PolarHBondContact O-N 3.01Å; H34-C37 PolarHBondContact O-N 2.86Å; H34-C37 VanDerWaalsContact O-N 3.12Å; H34-H40 AromaticContact CE1-NE2 3.99Å; H34-H40 AromaticContact CG-NE2 3.99Å; H34-H40 AromaticContact ND1-NE2 3.37Å; H34-H40 PolarHBondContact ND1-NE2 3.03Å
35	A	54.9	Low	63.2	Low	56 Å²	56	79.2 Å²	79.2	46%	0.463	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	115.7	173.8	0	0	0	0	0	108.9	G32	G32-A35 WeakPolarHBondContact O-CB 3.43Å; G32-A35 PolarHBondContact O-N 2.9Å
36	N	72.3	Confident	66.3	Low	116 Å²	116	70.6 Å²	70.6	62%	0.62	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.8	21.2	-177.9	-45.4	-42.5	0	0	0	117.5	H34 L38 R65	H34-N36 PolarHBondContact O-N 3.01Å; N36-L38 PolarHBondContact O-N 2.83Å; N36-R65 WeakPolarHBondContact O-CA 3.32Å
37	C	80.9	Confident	69.1	Low	25 Å²	25	73.2 Å²	73.2	17%	0.169	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	119.8	164.7	-66	0	0	0	0	110.3	H34 H40 C63 L64	H34-C37 PolarHBondContact O-N 2.86Å; H34-C37 VanDerWaalsContact O-N 3.12Å; C37-H40 WeakPolarHBondContact CB-CE1 3.4Å; C37-C63 HydrophobicContact CB-CB 4.04Å; C37-C63 WeakPolarHBondContact CB-SG 3.11Å; C37-C63 WeakPolarHBondContact SG-CB 3.02Å; C37-C63 CovalentContact SG-SG 2.02Å; C37-C63 PolarHBondContact SG-SG 2.93Å; C37-L64 CarbonylContact C-O 3.58Å
38	L	85.1	Confident	71.6	Confident	118 Å²	118	73.8 Å²	73.8	62%	0.618	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81	-38.9	175.2	-67.9	178.6	0	0	0	112.2	N36 L64 A66	N36-L38 PolarHBondContact O-N 2.83Å; L38-L64 PolarHBondContact N-O 3.27Å; L38-A66 HydrophobicContact CD1-CB 3.81Å; L38-A66 HydrophobicContact CD2-CB 4.37Å; L38-A66 HydrophobicContact CG-CB 4.06Å
39	R	89.4	Confident	73.9	Confident	74 Å²	74	68.1 Å²	68.1	28%	0.279	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	145.3	-177.5	-66.4	-171.2	-74.9	-165.3	-5.3	110.2	F41 C63 L64 I90 D91 E110	R39-F41 HydrophobicContact CB-CD2 4.47Å; R39-F41 HydrophobicContact CB-CE2 3.6Å; R39-F41 HydrophobicContact CB-CZ 3.98Å; R39-C63 WeakPolarHBondContact O-CA 3.3Å; R39-L64 PolarHBondContact N-O 3.28Å; R39-L64 PolarHBondContact O-N 3.11Å; R39-I90 PolarHBondContact NH2-O 2.81Å; R39-D91 IonicContact NH2-OD1 2.73Å; R39-E110 WeakPolarHBondContact CD-OE1 3.39Å; R39-E110 WeakPolarHBondContact CG-OE1 3.26Å
40	H	90.9	Very high	76.2	Confident	23 Å²	23	70 Å²	70	11%	0.106	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	137.3	174.3	-66.2	71.4	0	0	0	109.1	H34 C37 L62 E110 K111 L113	H34-H40 AromaticContact CE1-NE2 3.99Å; H34-H40 AromaticContact CG-NE2 3.99Å; H34-H40 AromaticContact ND1-NE2 3.37Å; H34-H40 PolarHBondContact ND1-NE2 3.03Å; C37-H40 WeakPolarHBondContact CB-CE1 3.4Å; H40-L62 CarbonylContact C-O 3.53Å; H40-L62 WeakPolarHBondContact CA-O 3.2Å; H40-E110 CarbonylContact O-C 3.56Å; H40-E110 WeakPolarHBondContact O-CG 3.3Å; H40-K111 HydrophobicContact CB-CB 4.3Å; H40-K111 PolarHBondContact O-N 3.18Å; H40-L113 HydrophobicContact CB-CD1 4.49Å; H40-L113 WeakPolarHBondContact CE1-CD1 3.12Å; H40-L113 VanDerWaalsContact ND1-CD1 3.32Å; H40-L113 WeakPolarHBondContact ND1-CD1 3.49Å; H40-L113 WeakPolarHBondContact NE2-CD1 3.36Å
41	F	92.1	Very high	78.5	Confident	0 Å²	0	73.5 Å²	73.5	0%	0	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	140.1	176.6	-59.5	-89.8	0	0	0	109.6	R39 V43 L61 L62 L64 V107 Q109 E110	R39-F41 HydrophobicContact CB-CD2 4.47Å; R39-F41 HydrophobicContact CB-CE2 3.6Å; R39-F41 HydrophobicContact CB-CZ 3.98Å; F41-V43 HydrophobicContact CB-CG1 3.92Å; F41-L61 WeakPolarHBondContact O-CA 3.32Å; F41-L62 HydrophobicContact CB-CB 4.28Å; F41-L62 PolarHBondContact N-O 2.82Å; F41-L62 PolarHBondContact O-N 2.84Å; F41-L64 HydrophobicContact CD2-CD1 4.26Å; F41-L64 HydrophobicContact CD2-CG 4.21Å; F41-L64 HydrophobicContact CE2-CD1 3.48Å; F41-L64 VanDerWaalsContact CE2-CD1 3.48Å; F41-L64 HydrophobicContact CE2-CG 3.84Å; F41-L64 HydrophobicContact CZ-CD1 4.29Å; F41-V107 HydrophobicContact CB-CG1 3.97Å; F41-V107 HydrophobicContact CD1-CG1 3.57Å; F41-V107 HydrophobicContact CE1-CG1 4.36Å; F41-V107 HydrophobicContact CG-CG1 3.97Å; F41-Q109 CarbonylContact C-O 3.57Å; F41-Q109 VanDerWaalsContact CA-O 3.26Å; F41-Q109 WeakPolarHBondContact CA-O 3.43Å; F41-E110 HydrophobicContact CD1-CB 3.87Å; F41-E110 HydrophobicContact CD1-CG 4.12Å; F41-E110 HydrophobicContact CE1-CB 3.78Å; F41-E110 HydrophobicContact CE1-CG 3.81Å; F41-E110 HydrophobicContact CZ-CG 4.3Å
42	E	92.2	Very high	80.6	Confident	42 Å²	42	77.7 Å²	77.7	20%	0.196	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	128.8	160.2	-171.2	-175.2	158.1	0	0	107.8	V108 Q109 R174	E42-V108 WeakPolarHBondContact O-CB 3.15Å; E42-V108 PolarHBondContact O-N 2.97Å; E42-Q109 HydrophobicContact CB-CG 3.93Å; E42-Q109 PolarHBondContact N-O 2.82Å; E42-Q109 PolarHBondContact O-N 2.8Å; E42-Q109 PolarHBondContact OE2-NE2 3.05Å; E42-R174 IonicContact OE1-CZ 3.43Å; E42-R174 IonicContact OE1-NE 3.1Å; E42-R174 IonicContact OE1-NH2 2.89Å; E42-R174 PolarHBondContact OE1-NH2 2.9Å
43	V	93.9	Very high	82.5	Confident	0 Å²	0	83.6 Å²	83.6	0%	0	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	151.2	-176.7	-50.8	0	0	0	0	110.3	F41 V45 A60 L62 L72 V105 E106 V107	F41-V43 HydrophobicContact CB-CG1 3.92Å; V43-V45 HydrophobicContact CG2-CG2 4.25Å; V43-A60 HydrophobicContact CG2-CB 3.78Å; V43-A60 PolarHBondContact N-O 2.79Å; V43-A60 PolarHBondContact O-N 2.81Å; V43-A60 VanDerWaalsContact O-O 3.08Å; V43-L62 HydrophobicContact CB-CB 4.49Å; V43-L62 HydrophobicContact CG1-CB 3.48Å; V43-L62 VanDerWaalsContact CG1-CB 3.48Å; V43-L62 HydrophobicContact CG1-CD2 4.12Å; V43-L62 HydrophobicContact CG1-CG 4.44Å; V43-L62 HydrophobicContact CG2-CB 4.12Å; V43-L72 HydrophobicContact CG2-CD1 3.48Å; V43-L72 VanDerWaalsContact CG2-CD1 3.48Å; V43-V105 HydrophobicContact CB-CG1 3.59Å; V43-V105 HydrophobicContact CG1-CG1 4.1Å; V43-V105 HydrophobicContact CG2-CG1 3.55Å; V43-E106 CarbonylContact C-O 3.57Å; V43-E106 WeakPolarHBondContact CA-O 3.39Å; V43-E106 WeakPolarHBondContact CB-O 3.49Å; V43-V107 HydrophobicContact CG1-CB 4.47Å; V43-V107 HydrophobicContact CG1-CG2 4.09Å
44	V	93.3	Very high	84	Confident	8 Å²	8	82.3 Å²	82.3	5%	0.048	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	140.3	170.9	-70.9	0	0	0	0	109.5	W56 Y58 D59 V105 E106 V108	V44-W56 HydrophobicContact CB-CB 3.96Å; V44-W56 HydrophobicContact CB-CD2 3.85Å; V44-W56 HydrophobicContact CB-CE3 3.97Å; V44-W56 HydrophobicContact CB-CG 3.82Å; V44-W56 HydrophobicContact CG2-CB 4.35Å; V44-W56 HydrophobicContact CG2-CD2 3.38Å; V44-W56 HydrophobicContact CG2-CE3 3.69Å; V44-W56 HydrophobicContact CG2-CG 3.65Å; V44-W56 HydrophobicContact CG2-CH2 4.49Å; V44-W56 HydrophobicContact CG2-CZ2 4.24Å; V44-W56 HydrophobicContact CG2-CZ3 4.22Å; V44-W56 WeakPolarHBondContact O-CZ3 3.45Å; V44-Y58 WeakPolarHBondContact CA-O 3.48Å; V44-D59 WeakPolarHBondContact CG1-OD1 3.36Å; V44-V105 CarbonylContact O-C 3.47Å; V44-V105 VanDerWaalsContact O-CA 3.31Å; V44-V105 WeakPolarHBondContact O-CA 3.35Å; V44-E106 HydrophobicContact CG2-CB 3.72Å; V44-E106 HydrophobicContact CG2-CG 4.5Å; V44-E106 PolarHBondContact N-O 2.89Å; V44-E106 PolarHBondContact O-N 3.1Å; V44-V108 HydrophobicContact CB-CG2 4.38Å; V44-V108 HydrophobicContact CG1-CG2 3.81Å; V44-V108 HydrophobicContact CG2-CG2 4.01Å
45	V	93.5	Very high	85.6	Confident	0 Å²	0	84.7 Å²	84.7	0%	0	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	135.7	-173.4	-171.6	0	0	0	0	110.2	V43 Q57 Y58 A60 L72 I74 M103 E104 V105	V43-V45 HydrophobicContact CG2-CG2 4.25Å; V45-Q57 PolarHBondContact O-N 3.48Å; V45-Y58 PolarHBondContact N-O 3.26Å; V45-Y58 PolarHBondContact O-N 2.94Å; V45-A60 HydrophobicContact CG2-CB 3.59Å; V45-L72 HydrophobicContact CG2-CD1 3.96Å; V45-L72 HydrophobicContact CG2-CD2 4.14Å; V45-I74 HydrophobicContact CB-CD1 4.48Å; V45-I74 HydrophobicContact CG1-CD1 4.06Å; V45-I74 HydrophobicContact CG2-CD1 4.4Å; V45-I74 HydrophobicContact CG2-CG1 4.27Å; V45-M103 HydrophobicContact CG1-CB 3.75Å; V45-M103 HydrophobicContact CG1-CE 3.88Å; V45-M103 HydrophobicContact CG1-CG 4.19Å; V45-M103 HydrophobicContact CG1-SD 3.65Å; V45-E104 WeakPolarHBondContact CA-O 3.08Å; V45-V105 HydrophobicContact CG1-CG2 4.37Å; V45-V105 HydrophobicContact CG2-CG1 4.48Å; V45-V105 HydrophobicContact CG2-CG2 4.23Å
46	G	92.6	Very high	87.3	Confident	1 Å²	1	85.7 Å²	85.7	1%	0.01	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	174.1	179	0	0	0	0	0	113.1	E104	G46-E104 PolarHBondContact N-O 2.96Å; G46-E104 PolarHBondContact O-N 3.29Å
47	K	91.2	Very high	88.2	Confident	152 Å²	152	84.1 Å²	84.1	66%	0.661	37%	0.373	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.5	140.2	170.8	-69.6	-179.3	-176.9	179.8	0	109.7	S49	K47-S49 PolarHBondContact O-N 3.31Å; K47-S49 VanDerWaalsContact O-N 3.15Å
48	R	86.9	Confident	88.8	Confident	157 Å²	157	86.3 Å²	86.3	59%	0.592	38%	0.378	S	S	*	.			trans	-54.6	121.6	173.3	-170.7	179.9	-64.4	178.8	4.5	109.9	N101	R48-N101 PolarHBondContact NH2-O 2.75Å
49	S	84.4	Confident	89.1	Confident	33 Å²	33	85.4 Å²	85.4	23%	0.231	37%	0.373	C	S	.	.			trans	-142.7	135.2	-178.2	-179.3	0	0	0	0	111	K47 R51 K54	K47-S49 PolarHBondContact O-N 3.31Å; K47-S49 VanDerWaalsContact O-N 3.15Å; S49-R51 VanDerWaalsContact C-N 3.27Å; S49-R51 WeakPolarHBondContact OG-CB 3.48Å; S49-R51 WeakPolarHBondContact OG-CG 3.31Å; S49-R51 PolarHBondContact OG-N 2.87Å; S49-K54 WeakPolarHBondContact O-CE 3.45Å
50	L	84.1	Confident	89.3	Confident	181 Å²	181	82.2 Å²	82.2	95%	0.948	36%	0.363	S	S	*	.			trans	-87.9	4.3	172.8	-60.1	177.8	0	0	0	112.6
51	R	85.9	Confident	89.4	Confident	183 Å²	183	83.9 Å²	83.9	69%	0.691	37%	0.372	S	S	*	.	S	Bend	trans	-73.5	142.1	-178.8	-63.7	179.4	176.3	-176.2	-1.2	110.1	S49 R53	S49-R51 VanDerWaalsContact C-N 3.27Å; S49-R51 WeakPolarHBondContact OG-CB 3.48Å; S49-R51 WeakPolarHBondContact OG-CG 3.31Å; S49-R51 PolarHBondContact OG-N 2.87Å; R51-R53 WeakPolarHBondContact CB-O 3.48Å; R51-R53 PolarHBondContact O-N 2.93Å
52	K	82.4	Confident	89.5	Confident	221 Å²	221	83.9 Å²	83.9	96%	0.961	37%	0.372	S	S	*	.	S	Bend	trans	-54.2	-37.4	173.9	-65.8	-174.5	178.3	-176.2	0	112.5
53	R	80.8	Confident	89.5	Confident	175 Å²	175	82 Å²	82	66%	0.66	36%	0.364	S	S	*	.	S	Bend	trans	-103.5	116.9	175	-70.5	-179.8	165	164.4	-7.5	109.4	R51 A205	R51-R53 WeakPolarHBondContact CB-O 3.48Å; R51-R53 PolarHBondContact O-N 2.93Å; R53-A205 PolarHBondContact NE-OXT 3.07Å; R53-A205 PolarHBondContact NH2-O 3.23Å; R53-A205 PolarHBondContact NH2-OXT 2.61Å
54	K	83.5	Confident	89.4	Confident	56 Å²	56	82.2 Å²	82.2	24%	0.243	37%	0.365	C	S	.	.			trans	-96.1	143	178.3	-65.5	-171.6	-178.5	-173.7	0	110.5	S49 W56 E104	S49-K54 WeakPolarHBondContact O-CE 3.45Å; K54-W56 HydrophobicContact CB-CZ2 4.24Å; K54-W56 HydrophobicContact CD-CH2 4.12Å; K54-W56 HydrophobicContact CD-CZ2 3.78Å; K54-E104 WeakPolarHBondContact CE-OE2 3.34Å; K54-E104 IonicContact NZ-OE1 3.7Å; K54-E104 PolarHBondContact NZ-OE1 2.73Å; K54-E104 IonicContact NZ-OE2 2.73Å; K54-E104 PolarHBondContact NZ-OE2 2.88Å
55	H	87.2	Confident	89.2	Confident	157 Å²	157	84.2 Å²	84.2	73%	0.727	37%	0.372	S	S	*	.			trans	-100.3	102.9	168.5	-71.7	-77.7	0	0	0	108
56	W	91.2	Very high	88.8	Confident	77 Å²	77	87.3 Å²	87.3	29%	0.292	40%	0.398	S	S	.	.			trans	-73.8	127	169.3	-61.6	115.9	0	0	0	108.7	V44 K54 E104 E106	V44-W56 HydrophobicContact CB-CB 3.96Å; V44-W56 HydrophobicContact CB-CD2 3.85Å; V44-W56 HydrophobicContact CB-CE3 3.97Å; V44-W56 HydrophobicContact CB-CG 3.82Å; V44-W56 HydrophobicContact CG2-CB 4.35Å; V44-W56 HydrophobicContact CG2-CD2 3.38Å; V44-W56 HydrophobicContact CG2-CE3 3.69Å; V44-W56 HydrophobicContact CG2-CG 3.65Å; V44-W56 HydrophobicContact CG2-CH2 4.49Å; V44-W56 HydrophobicContact CG2-CZ2 4.24Å; V44-W56 HydrophobicContact CG2-CZ3 4.22Å; V44-W56 WeakPolarHBondContact O-CZ3 3.45Å; K54-W56 HydrophobicContact CB-CZ2 4.24Å; K54-W56 HydrophobicContact CD-CH2 4.12Å; K54-W56 HydrophobicContact CD-CZ2 3.78Å; W56-E104 HydrophobicContact CH2-CG 4.12Å; W56-E104 HydrophobicContact CZ3-CB 4.47Å; W56-E104 HydrophobicContact CZ3-CG 4.4Å; W56-E106 HydrophobicContact CH2-CB 3.53Å; W56-E106 HydrophobicContact CZ2-CB 3.59Å; W56-E106 HydrophobicContact CZ2-CG 4.4Å; W56-E106 WeakPolarHBondContact CZ2-OE2 3.33Å; W56-E106 HydrophobicContact CZ3-CB 4.2Å
57	Q	91.6	Very high	88.6	Confident	84 Å²	84	90.6 Å²	90.6	39%	0.393	42%	0.415	S	S	.	.			trans	-96.3	-35.1	-172	-62.7	-177.2	-70.4	0	0	112.2	V45	V45-Q57 PolarHBondContact O-N 3.48Å
58	Y	93	Very high	88.4	Confident	71 Å²	71	85 Å²	85	28%	0.278	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	143	-173.7	-49.3	-72.5	0	0	0	110.6	V44 V45 I74 A76 F79	V44-Y58 WeakPolarHBondContact CA-O 3.48Å; V45-Y58 PolarHBondContact N-O 3.26Å; V45-Y58 PolarHBondContact O-N 2.94Å; Y58-I74 HydrophobicContact CD1-CG2 4.41Å; Y58-I74 HydrophobicContact CD2-CG2 4.36Å; Y58-I74 HydrophobicContact CG-CG2 3.91Å; Y58-A76 HydrophobicContact CD1-CB 4Å; Y58-A76 HydrophobicContact CE1-CB 4.43Å; Y58-F79 HydrophobicContact CE1-CB 4.48Å; Y58-F79 HydrophobicContact CE1-CD1 4.21Å; Y58-F79 HydrophobicContact CE2-CD1 4.44Å; Y58-F79 HydrophobicContact CE2-CE1 4.37Å
59	D	92.3	Very high	88.6	Confident	98 Å²	98	79.1 Å²	79.1	52%	0.524	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	143.8	160.3	-61.4	-57.4	0	0	0	108.6	V44 R174	V44-D59 WeakPolarHBondContact CG1-OD1 3.36Å; D59-R174 IonicContact OD1-NH2 3.52Å
60	A	93.2	Very high	89	Confident	8 Å²	8	77.5 Å²	77.5	7%	0.066	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	166.6	-176.3	0	0	0	0	0	111.4	V43 V45 L72 S73 I74	V43-A60 HydrophobicContact CG2-CB 3.78Å; V43-A60 PolarHBondContact N-O 2.79Å; V43-A60 PolarHBondContact O-N 2.81Å; V43-A60 VanDerWaalsContact O-O 3.08Å; V45-A60 HydrophobicContact CG2-CB 3.59Å; A60-L72 HydrophobicContact CB-CD1 3.73Å; A60-S73 WeakPolarHBondContact CA-O 3.44Å; A60-S73 VanDerWaalsContact CB-O 3.31Å; A60-S73 WeakPolarHBondContact CB-O 3.36Å; A60-I74 HydrophobicContact CB-CB 4.37Å; A60-I74 HydrophobicContact CB-CG1 3.82Å
61	L	92.8	Very high	89.4	Confident	57 Å²	57	69.5 Å²	69.5	30%	0.298	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	130.7	173.3	-66.5	175	0	0	0	109.9	F41 L72 S73 K111	F41-L61 WeakPolarHBondContact O-CA 3.32Å; L61-L72 CarbonylContact O-C 3.53Å; L61-L72 WeakPolarHBondContact O-CA 3.4Å; L61-S73 PolarHBondContact N-O 2.81Å; L61-S73 PolarHBondContact O-N 3.48Å; L61-K111 HydrophobicContact CD2-CD 4.09Å
62	L	93.5	Very high	89.8	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	112.3	172.8	-175.5	70.7	0	0	0	109	H40 F41 V43 L64 A70 V71 L72 I92 L98 M100 V107	H40-L62 CarbonylContact C-O 3.53Å; H40-L62 WeakPolarHBondContact CA-O 3.2Å; F41-L62 HydrophobicContact CB-CB 4.28Å; F41-L62 PolarHBondContact N-O 2.82Å; F41-L62 PolarHBondContact O-N 2.84Å; V43-L62 HydrophobicContact CB-CB 4.49Å; V43-L62 HydrophobicContact CG1-CB 3.48Å; V43-L62 VanDerWaalsContact CG1-CB 3.48Å; V43-L62 HydrophobicContact CG1-CD2 4.12Å; V43-L62 HydrophobicContact CG1-CG 4.44Å; V43-L62 HydrophobicContact CG2-CB 4.12Å; L62-L64 HydrophobicContact CD2-CD2 4.34Å; L62-L64 HydrophobicContact CG-CD2 4.34Å; L62-A70 HydrophobicContact CD1-CB 3.97Å; L62-V71 WeakPolarHBondContact CA-O 3.5Å; L62-L72 HydrophobicContact CD1-CB 4.14Å; L62-L72 HydrophobicContact CD1-CD1 4.38Å; L62-I92 HydrophobicContact CD2-CD1 4.07Å; L62-L98 HydrophobicContact CD2-CD2 4Å; L62-M100 HydrophobicContact CD1-CE 4.26Å; L62-M100 HydrophobicContact CD1-SD 3.73Å; L62-V107 HydrophobicContact CD2-CG2 4.4Å
63	C	92.1	Very high	90.3	Very high	4 Å²	4	51.8 Å²	51.8	3%	0.027	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	129.8	168.7	147.8	0	0	0	0	109.8	C37 R39 A70 V71	C37-C63 HydrophobicContact CB-CB 4.04Å; C37-C63 WeakPolarHBondContact CB-SG 3.11Å; C37-C63 WeakPolarHBondContact SG-CB 3.02Å; C37-C63 CovalentContact SG-SG 2.02Å; C37-C63 PolarHBondContact SG-SG 2.93Å; R39-C63 WeakPolarHBondContact O-CA 3.3Å; C63-A70 CarbonylContact O-C 3.59Å; C63-A70 WeakPolarHBondContact O-CA 3.31Å; C63-V71 HydrophobicContact CB-CB 4.47Å; C63-V71 PolarHBondContact N-O 2.65Å; C63-V71 PolarHBondContact O-N 3.15Å
64	L	91.6	Very high	90.9	Very high	3 Å²	3	43.5 Å²	43.5	2%	0.016	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	122.7	168.9	-60.9	-174.2	0	0	0	110	C37 L38 R39 F41 L62 A70 L87 I90 I92	C37-L64 CarbonylContact C-O 3.58Å; L38-L64 PolarHBondContact N-O 3.27Å; R39-L64 PolarHBondContact N-O 3.28Å; R39-L64 PolarHBondContact O-N 3.11Å; F41-L64 HydrophobicContact CD2-CD1 4.26Å; F41-L64 HydrophobicContact CD2-CG 4.21Å; F41-L64 HydrophobicContact CE2-CD1 3.48Å; F41-L64 VanDerWaalsContact CE2-CD1 3.48Å; F41-L64 HydrophobicContact CE2-CG 3.84Å; F41-L64 HydrophobicContact CZ-CD1 4.29Å; L62-L64 HydrophobicContact CD2-CD2 4.34Å; L62-L64 HydrophobicContact CG-CD2 4.34Å; L64-A70 HydrophobicContact CD2-CB 3.64Å; L64-L87 HydrophobicContact CD2-CD1 3.96Å; L64-I90 HydrophobicContact CB-CG2 4.42Å; L64-I90 HydrophobicContact CD1-CG2 4.02Å; L64-I90 WeakPolarHBondContact CD1-O 3Å; L64-I92 HydrophobicContact CD1-CB 4.29Å; L64-I92 HydrophobicContact CD1-CD1 3.66Å; L64-I92 HydrophobicContact CD1-CG1 3.99Å; L64-I92 HydrophobicContact CD2-CD1 3.62Å; L64-I92 HydrophobicContact CG-CD1 4.18Å
65	R	90.1	Very high	91.2	Very high	50 Å²	50	45 Å²	45	19%	0.189	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	159.5	176.3	-65.8	167.1	53.5	114.5	0.5	111.6	N36 D67 S68 V69	N36-R65 WeakPolarHBondContact O-CA 3.32Å; R65-D67 WeakPolarHBondContact CB-OD1 3.41Å; R65-D67 IonicContact CZ-OD2 2.86Å; R65-D67 IonicContact NE-OD1 3.54Å; R65-D67 PolarHBondContact NE-OD1 3.41Å; R65-D67 IonicContact NE-OD2 3.74Å; R65-D67 PolarHBondContact NE-OD2 2.9Å; R65-D67 VanDerWaalsContact NE-OD2 3.1Å; R65-D67 IonicContact NH2-OD2 2.65Å; R65-D67 PolarHBondContact NH2-OD2 2.02Å; R65-D67 PolarHBondContact O-N 3.22Å; R65-S68 PolarHBondContact O-N 3.48Å; R65-V69 VanDerWaalsContact CB-O 3.32Å; R65-V69 WeakPolarHBondContact CB-O 3.42Å; R65-V69 PolarHBondContact N-O 2.86Å
66	A	85.5	Confident	91.1	Very high	66 Å²	66	38.6 Å²	38.6	55%	0.545	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-25.6	178.3	0	0	0	0	0	114	L38 S68	L38-A66 HydrophobicContact CD1-CB 3.81Å; L38-A66 HydrophobicContact CD2-CB 4.37Å; L38-A66 HydrophobicContact CG-CB 4.06Å; A66-S68 PolarHBondContact O-N 3.37Å
67	D	87	Confident	90.9	Very high	70 Å²	70	41.3 Å²	41.3	37%	0.374	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	15.5	179.3	56.3	10.3	0	0	0	113.9	R65 V69	R65-D67 WeakPolarHBondContact CB-OD1 3.41Å; R65-D67 IonicContact CZ-OD2 2.86Å; R65-D67 IonicContact NE-OD1 3.54Å; R65-D67 PolarHBondContact NE-OD1 3.41Å; R65-D67 IonicContact NE-OD2 3.74Å; R65-D67 PolarHBondContact NE-OD2 2.9Å; R65-D67 VanDerWaalsContact NE-OD2 3.1Å; R65-D67 IonicContact NH2-OD2 2.65Å; R65-D67 PolarHBondContact NH2-OD2 2.02Å; R65-D67 PolarHBondContact O-N 3.22Å; D67-V69 HydrophobicContact CB-CG2 4.46Å; D67-V69 PolarHBondContact O-N 3.12Å; D67-V69 WeakPolarHBondContact OD1-CB 3.42Å; D67-V69 WeakPolarHBondContact OD1-CG2 3.34Å; D67-V69 PolarHBondContact OD1-N 3.03Å; D67-V69 VanDerWaalsContact OD1-N 3.11Å
68	S	86.9	Confident	90.8	Very high	33 Å²	33	45.3 Å²	45.3	23%	0.231	26%	0.264	C	S	.	.	S	Bend	trans	64	13.6	-173.1	-34.8	0	0	0	0	114.7	R65 A66 R86 L87 I90	R65-S68 PolarHBondContact O-N 3.48Å; A66-S68 PolarHBondContact O-N 3.37Å; S68-R86 WeakPolarHBondContact O-CA 3.46Å; S68-L87 PolarHBondContact O-N 2.89Å; S68-I90 VanDerWaalsContact OG-CD1 3.3Å; S68-I90 WeakPolarHBondContact OG-CD1 3.48Å
69	V	91.4	Very high	90.4	Very high	34 Å²	34	45.2 Å²	45.2	21%	0.206	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	124.4	175.7	-177.5	0	0	0	0	109.6	R65 D67 V71 R84	R65-V69 VanDerWaalsContact CB-O 3.32Å; R65-V69 WeakPolarHBondContact CB-O 3.42Å; R65-V69 PolarHBondContact N-O 2.86Å; D67-V69 HydrophobicContact CB-CG2 4.46Å; D67-V69 PolarHBondContact O-N 3.12Å; D67-V69 WeakPolarHBondContact OD1-CB 3.42Å; D67-V69 WeakPolarHBondContact OD1-CG2 3.34Å; D67-V69 PolarHBondContact OD1-N 3.03Å; D67-V69 VanDerWaalsContact OD1-N 3.11Å; V69-V71 HydrophobicContact CG1-CG2 4.43Å; V69-R84 HydrophobicContact CG1-CB 4.39Å
70	A	92.2	Very high	90.3	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	134	169.6	0	0	0	0	0	110.2	L62 C63 L64 R84 R85 L87 M100	L62-A70 HydrophobicContact CD1-CB 3.97Å; C63-A70 CarbonylContact O-C 3.59Å; C63-A70 WeakPolarHBondContact O-CA 3.31Å; L64-A70 HydrophobicContact CD2-CB 3.64Å; A70-R84 WeakPolarHBondContact O-CA 3.42Å; A70-R85 PolarHBondContact N-O 2.84Å; A70-R85 PolarHBondContact O-N 2.81Å; A70-L87 HydrophobicContact CB-CD1 3.52Å; A70-L87 HydrophobicContact CB-CD2 4.38Å; A70-L87 HydrophobicContact CB-CG 3.67Å; A70-M100 HydrophobicContact CB-CE 4.27Å
71	V	93.2	Very high	90.1	Very high	13 Å²	13	51.4 Å²	51.4	8%	0.079	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	110.8	178.1	-175.5	0	0	0	0	108.1	L62 C63 V69 I82 I83 R84	L62-V71 WeakPolarHBondContact CA-O 3.5Å; C63-V71 HydrophobicContact CB-CB 4.47Å; C63-V71 PolarHBondContact N-O 2.65Å; C63-V71 PolarHBondContact O-N 3.15Å; V69-V71 HydrophobicContact CG1-CG2 4.43Å; V71-I82 HydrophobicContact CG1-CG2 3.82Å; V71-I83 WeakPolarHBondContact CA-O 3.5Å; V71-R84 HydrophobicContact CG1-CG 4.22Å; V71-R84 HydrophobicContact CG2-CG 4.11Å
72	L	94	Very high	90.1	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	118.1	174	178.3	70.2	0	0	0	108.8	V43 V45 A60 L61 L62 I74 I82 I83 M100 M103 V105	V43-L72 HydrophobicContact CG2-CD1 3.48Å; V43-L72 VanDerWaalsContact CG2-CD1 3.48Å; V45-L72 HydrophobicContact CG2-CD1 3.96Å; V45-L72 HydrophobicContact CG2-CD2 4.14Å; A60-L72 HydrophobicContact CB-CD1 3.73Å; L61-L72 CarbonylContact O-C 3.53Å; L61-L72 WeakPolarHBondContact O-CA 3.4Å; L62-L72 HydrophobicContact CD1-CB 4.14Å; L62-L72 HydrophobicContact CD1-CD1 4.38Å; L72-I74 HydrophobicContact CD2-CD1 4.13Å; L72-I74 HydrophobicContact CD2-CG1 4.24Å; L72-I74 HydrophobicContact CG-CG1 4.13Å; L72-I82 CarbonylContact O-C 3.55Å; L72-I82 VanDerWaalsContact O-CA 3.3Å; L72-I82 WeakPolarHBondContact O-CA 3.44Å; L72-I83 HydrophobicContact CB-CB 4.35Å; L72-I83 PolarHBondContact N-O 2.93Å; L72-I83 PolarHBondContact O-N 2.9Å; L72-M100 HydrophobicContact CB-CE 3.67Å; L72-M100 HydrophobicContact CB-SD 3.75Å; L72-M100 HydrophobicContact CD2-CB 4.45Å; L72-M100 HydrophobicContact CD2-SD 4.16Å; L72-M100 HydrophobicContact CG-SD 4.45Å; L72-M103 HydrophobicContact CD2-CE 4.02Å; L72-V105 HydrophobicContact CD1-CG1 4.32Å; L72-V105 HydrophobicContact CD1-CG2 4.48Å; L72-V105 HydrophobicContact CD2-CG2 3.85Å
73	S	93.1	Very high	90	Very high	31 Å²	31	52.9 Å²	52.9	22%	0.217	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	107.6	174.7	-172.7	0	0	0	0	109.1	A60 L61	A60-S73 WeakPolarHBondContact CA-O 3.44Å; A60-S73 VanDerWaalsContact CB-O 3.31Å; A60-S73 WeakPolarHBondContact CB-O 3.36Å; L61-S73 PolarHBondContact N-O 2.81Å; L61-S73 PolarHBondContact O-N 3.48Å
74	I	93.2	Very high	90	Very high	1 Å²	1	59.4 Å²	59.4	1%	0.005	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	123.3	173.4	-57.2	168.2	0	0	0	107.1	V45 Y58 A60 L72 F79 E80 R81 M103	V45-I74 HydrophobicContact CB-CD1 4.48Å; V45-I74 HydrophobicContact CG1-CD1 4.06Å; V45-I74 HydrophobicContact CG2-CD1 4.4Å; V45-I74 HydrophobicContact CG2-CG1 4.27Å; Y58-I74 HydrophobicContact CD1-CG2 4.41Å; Y58-I74 HydrophobicContact CD2-CG2 4.36Å; Y58-I74 HydrophobicContact CG-CG2 3.91Å; A60-I74 HydrophobicContact CB-CB 4.37Å; A60-I74 HydrophobicContact CB-CG1 3.82Å; L72-I74 HydrophobicContact CD2-CD1 4.13Å; L72-I74 HydrophobicContact CD2-CG1 4.24Å; L72-I74 HydrophobicContact CG-CG1 4.13Å; I74-F79 HydrophobicContact CB-CE1 4.39Å; I74-F79 HydrophobicContact CD1-CE1 4.23Å; I74-F79 HydrophobicContact CG2-CD1 3.84Å; I74-F79 HydrophobicContact CG2-CE1 3.95Å; I74-E80 WeakPolarHBondContact O-CA 3.36Å; I74-R81 HydrophobicContact CB-CB 4.46Å; I74-R81 HydrophobicContact CD1-CB 4.47Å; I74-R81 PolarHBondContact N-O 2.8Å; I74-R81 PolarHBondContact O-N 2.8Å; I74-M103 HydrophobicContact CD1-CE 3.45Å; I74-M103 VanDerWaalsContact CD1-CE 3.45Å; I74-M103 HydrophobicContact CD1-SD 3.93Å
75	T	89.8	Confident	90	Very high	88 Å²	88	63.7 Å²	63.7	54%	0.54	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	105.3	179.9	-56.1	0	0	0	0	108.1
76	A	86.2	Confident	90.1	Very high	23 Å²	23	70.3 Å²	70.3	19%	0.19	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	155.3	174.5	0	0	0	0	0	109.6	Y58 D78 F79	Y58-A76 HydrophobicContact CD1-CB 4Å; Y58-A76 HydrophobicContact CE1-CB 4.43Å; A76-D78 PolarHBondContact O-N 2.92Å; A76-F79 HydrophobicContact CB-CB 4.29Å; A76-F79 WeakPolarHBondContact CB-O 3.36Å; A76-F79 PolarHBondContact N-O 3.06Å; A76-F79 CarbonylContact O-C 3.55Å; A76-F79 PolarHBondContact O-N 2.8Å
77	P	85.7	Confident	90.2	Very high	134 Å²	134	68.4 Å²	68.4	87%	0.87	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	-36.6	-171.5	-29.2	35.1	0	0	0	115.4
78	D	89.7	Confident	90.2	Very high	168 Å²	168	77.5 Å²	77.5	90%	0.898	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.2	4.5	-179.4	-57.2	-42	0	0	0	113.1	A76	A76-D78 PolarHBondContact O-N 2.92Å
79	F	84.6	Confident	90	Very high	68 Å²	68	80.1 Å²	80.1	30%	0.298	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	108.5	-173.1	-175.7	-95.8	0	0	0	111.4	Y58 I74 A76 R81	Y58-F79 HydrophobicContact CE1-CB 4.48Å; Y58-F79 HydrophobicContact CE1-CD1 4.21Å; Y58-F79 HydrophobicContact CE2-CD1 4.44Å; Y58-F79 HydrophobicContact CE2-CE1 4.37Å; I74-F79 HydrophobicContact CB-CE1 4.39Å; I74-F79 HydrophobicContact CD1-CE1 4.23Å; I74-F79 HydrophobicContact CG2-CD1 3.84Å; I74-F79 HydrophobicContact CG2-CE1 3.95Å; A76-F79 HydrophobicContact CB-CB 4.29Å; A76-F79 WeakPolarHBondContact CB-O 3.36Å; A76-F79 PolarHBondContact N-O 3.06Å; A76-F79 CarbonylContact O-C 3.55Å; A76-F79 PolarHBondContact O-N 2.8Å; F79-R81 HydrophobicContact CD1-CB 4.45Å; F79-R81 HydrophobicContact CE1-CB 3.65Å; F79-R81 HydrophobicContact CZ-CB 3.75Å; F79-R81 HydrophobicContact CZ-CG 4.35Å
80	E	90.2	Very high	89.6	Confident	138 Å²	138	80.9 Å²	80.9	65%	0.645	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114	131.9	168.7	-64.9	-167.8	156.7	0	0	109.8	I74	I74-E80 WeakPolarHBondContact O-CA 3.36Å
81	R	90.4	Very high	89.4	Confident	99 Å²	99	86.2 Å²	86.2	37%	0.374	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	128.2	178.1	-170.6	175.8	-177.6	-177.2	4	110.8	I74 F79 I83	I74-R81 HydrophobicContact CB-CB 4.46Å; I74-R81 HydrophobicContact CD1-CB 4.47Å; I74-R81 PolarHBondContact N-O 2.8Å; I74-R81 PolarHBondContact O-N 2.8Å; F79-R81 HydrophobicContact CD1-CB 4.45Å; F79-R81 HydrophobicContact CE1-CB 3.65Å; F79-R81 HydrophobicContact CZ-CB 3.75Å; F79-R81 HydrophobicContact CZ-CG 4.35Å; R81-I83 HydrophobicContact CG-CD1 4.41Å; R81-I83 HydrophobicContact CG-CG1 4.06Å
82	I	92	Very high	89.2	Confident	81 Å²	81	86 Å²	86	42%	0.415	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	126.8	173.4	-60.2	170	0	0	0	108.8	V71 L72	V71-I82 HydrophobicContact CG1-CG2 3.82Å; L72-I82 CarbonylContact O-C 3.55Å; L72-I82 VanDerWaalsContact O-CA 3.3Å; L72-I82 WeakPolarHBondContact O-CA 3.44Å
83	I	91.7	Very high	88.9	Confident	7 Å²	7	89 Å²	89	4%	0.036	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	128.7	177.7	-60	178.5	0	0	0	108.9	V71 L72 R81 M100 M103	V71-I83 WeakPolarHBondContact CA-O 3.5Å; L72-I83 HydrophobicContact CB-CB 4.35Å; L72-I83 PolarHBondContact N-O 2.93Å; L72-I83 PolarHBondContact O-N 2.9Å; R81-I83 HydrophobicContact CG-CD1 4.41Å; R81-I83 HydrophobicContact CG-CG1 4.06Å; I83-M100 HydrophobicContact CG2-CE 4.24Å; I83-M103 HydrophobicContact CD1-CE 3.1Å; I83-M103 HydrophobicContact CG1-CE 4.44Å
84	R	92.4	Very high	88.8	Confident	141 Å²	141	91.3 Å²	91.3	53%	0.532	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	130.2	175.7	-58	-171.4	178.5	-169.2	-0.1	109.3	V69 A70 V71	V69-R84 HydrophobicContact CG1-CB 4.39Å; A70-R84 WeakPolarHBondContact O-CA 3.42Å; V71-R84 HydrophobicContact CG1-CG 4.22Å; V71-R84 HydrophobicContact CG2-CG 4.11Å
85	R	91.7	Very high	88.5	Confident	93 Å²	93	93.8 Å²	93.8	35%	0.351	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	135.6	177.3	-175	-179.2	173.1	173.9	4.4	110.2	A70 L87 S99 M100	A70-R85 PolarHBondContact N-O 2.84Å; A70-R85 PolarHBondContact O-N 2.81Å; R85-L87 PolarHBondContact O-N 3.25Å; R85-S99 VanDerWaalsContact NH1-C 3.35Å; R85-S99 PolarHBondContact NH1-O 2.74Å; R85-S99 PolarHBondContact NH1-OG 2.9Å; R85-M100 HydrophobicContact CB-CE 3.83Å
86	R	91.4	Very high	88.5	Confident	189 Å²	189	92.5 Å²	92.5	71%	0.713	46%	0.457	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.4	122.8	168.4	-165.6	174.4	-175.8	176.3	0.8	109.8	S68	S68-R86 WeakPolarHBondContact O-CA 3.46Å
87	L	87.8	Confident	88.8	Confident	26 Å²	26	95.6 Å²	95.6	14%	0.136	47%	0.468	C	S	.	.			trans	-91	147.8	177	-62.2	-177.2	0	0	0	110.4	L64 S68 A70 R85 N89 I92	L64-L87 HydrophobicContact CD2-CD1 3.96Å; S68-L87 PolarHBondContact O-N 2.89Å; A70-L87 HydrophobicContact CB-CD1 3.52Å; A70-L87 HydrophobicContact CB-CD2 4.38Å; A70-L87 HydrophobicContact CB-CG 3.67Å; R85-L87 PolarHBondContact O-N 3.25Å; L87-N89 WeakPolarHBondContact CB-O 3.14Å; L87-I92 HydrophobicContact CD1-CD1 3.53Å
88	R	86	Confident	89.1	Confident	261 Å²	261	90.1 Å²	90.1	99%	0.985	43%	0.431	S	S	*	.	S	Bend	trans	-77.5	-30.6	173.4	-63.6	-176.1	-176.5	-172.8	0.5	111.7
89	N	83.3	Confident	89	Confident	87 Å²	87	84.5 Å²	84.5	47%	0.465	40%	0.404	S	S	.	.			trans	-127	130	176.9	-171.9	6.8	0	0	0	108.8	L87 D91	L87-N89 WeakPolarHBondContact CB-O 3.14Å; N89-D91 WeakPolarHBondContact OD1-CB 3.32Å; N89-D91 PolarHBondContact OD1-N 3.45Å
90	I	83.9	Confident	89.3	Confident	50 Å²	50	81.2 Å²	81.2	26%	0.256	39%	0.39	S	S	.	.			trans	-98.5	-12.1	-179.9	-47.2	168.2	0	0	0	110.3	R39 L64 S68 I92	R39-I90 PolarHBondContact NH2-O 2.81Å; L64-I90 HydrophobicContact CB-CG2 4.42Å; L64-I90 HydrophobicContact CD1-CG2 4.02Å; L64-I90 WeakPolarHBondContact CD1-O 3Å; S68-I90 VanDerWaalsContact OG-CD1 3.3Å; S68-I90 WeakPolarHBondContact OG-CD1 3.48Å; I90-I92 PolarHBondContact O-N 2.76Å
91	D	86.6	Confident	89.1	Confident	113 Å²	113	78.4 Å²	78.4	60%	0.604	38%	0.38	S	S	*	.			trans	-79.2	89	175.5	-63.2	-32.5	0	0	0	109.2	R39 N89 Q96	R39-D91 IonicContact NH2-OD1 2.73Å; N89-D91 WeakPolarHBondContact OD1-CB 3.32Å; N89-D91 PolarHBondContact OD1-N 3.45Å; D91-Q96 PolarHBondContact O-OE1 3.23Å
92	I	89.2	Confident	89	Confident	9 Å²	9	80.1 Å²	80.1	5%	0.046	40%	0.396	C	S	.	.			trans	-107.1	130.3	178.9	-53.3	-180	0	0	0	108.3	L62 L64 L87 I90 Q96 L98 V107	L62-I92 HydrophobicContact CD2-CD1 4.07Å; L64-I92 HydrophobicContact CD1-CB 4.29Å; L64-I92 HydrophobicContact CD1-CD1 3.66Å; L64-I92 HydrophobicContact CD1-CG1 3.99Å; L64-I92 HydrophobicContact CD2-CD1 3.62Å; L64-I92 HydrophobicContact CG-CD1 4.18Å; L87-I92 HydrophobicContact CD1-CD1 3.53Å; I90-I92 PolarHBondContact O-N 2.76Å; I92-Q96 HydrophobicContact CG2-CB 4.33Å; I92-L98 HydrophobicContact CD1-CD2 4Å; I92-L98 HydrophobicContact CG2-CD2 4.25Å; I92-V107 HydrophobicContact CG2-CB 4.09Å; I92-V107 HydrophobicContact CG2-CG1 4.2Å; I92-V107 HydrophobicContact CG2-CG2 3.3Å
93	S	88.2	Confident	89	Confident	63 Å²	63	77 Å²	77	44%	0.441	38%	0.38	S	S	.	.			trans	-112.8	156.3	174.8	58.3	0	0	0	0	111.8	G95 Q96	S93-G95 PolarHBondContact O-N 2.87Å; S93-Q96 WeakPolarHBondContact O-CB 3.18Å; S93-Q96 PolarHBondContact O-N 3.21Å; S93-Q96 VanDerWaalsContact O-N 3.11Å
94	P	89.9	Confident	89	Confident	78 Å²	78	78.1 Å²	78.1	51%	0.506	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.7	137.9	165.7	-27.8	36.8	0	0	0	112.1	Q96	P94-Q96 VanDerWaalsContact C-N 3.31Å
95	G	88.4	Confident	89.1	Confident	53 Å²	53	71.4 Å²	71.4	55%	0.546	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.6	-10.1	-174.5	0	0	0	0	0	115	S93 V107	S93-G95 PolarHBondContact O-N 2.87Å; G95-V107 WeakPolarHBondContact CA-O 3.2Å; G95-V107 PolarHBondContact N-O 3.24Å
96	Q	90.1	Very high	89.2	Confident	62 Å²	62	69.3 Å²	69.3	29%	0.29	35%	0.354	S	S	.	.			trans	-74.2	133.1	179	-173.8	173.3	-24.9	0	0	111.5	D91 I92 S93 P94 V107	D91-Q96 PolarHBondContact O-OE1 3.23Å; I92-Q96 HydrophobicContact CG2-CB 4.33Å; S93-Q96 WeakPolarHBondContact O-CB 3.18Å; S93-Q96 PolarHBondContact O-N 3.21Å; S93-Q96 VanDerWaalsContact O-N 3.11Å; P94-Q96 VanDerWaalsContact C-N 3.31Å; Q96-V107 PolarHBondContact O-N 2.77Å
97	Q	91.3	Very high	89.3	Confident	88 Å²	88	60.3 Å²	60.3	41%	0.411	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	134.9	172.6	-69.9	179.2	-1.5	0	0	110.9	E104 V105 E106	Q97-E104 PolarHBondContact OE1-OE1 2.84Å; Q97-V105 CarbonylContact C-O 3.55Å; Q97-V105 WeakPolarHBondContact CA-O 3.49Å; Q97-E106 HydrophobicContact CG-CB 3.89Å; Q97-E106 HydrophobicContact CG-CG 3.88Å; Q97-E106 PolarHBondContact NE2-OE2 2.78Å
98	L	91.5	Very high	89.4	Confident	19 Å²	19	60.5 Å²	60.5	10%	0.099	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	148.1	178.7	57.3	100.5	0	0	0	109.9	L62 I92 M100 V105 V107	L62-L98 HydrophobicContact CD2-CD2 4Å; I92-L98 HydrophobicContact CD1-CD2 4Å; I92-L98 HydrophobicContact CG2-CD2 4.25Å; L98-M100 HydrophobicContact CD1-CG 3.56Å; L98-M100 HydrophobicContact CD1-SD 3.71Å; L98-V105 HydrophobicContact CD1-CB 3.58Å; L98-V105 HydrophobicContact CD1-CG1 3.95Å; L98-V105 HydrophobicContact CD1-CG2 4.03Å; L98-V105 HydrophobicContact CG-CB 3.9Å; L98-V105 HydrophobicContact CG-CG1 4.22Å; L98-V105 PolarHBondContact N-O 2.79Å; L98-V105 PolarHBondContact O-N 3.33Å; L98-V107 HydrophobicContact CD2-CG2 3.81Å
99	S	89.4	Confident	89.6	Confident	49 Å²	49	49.5 Å²	49.5	34%	0.343	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	139.2	170.7	54.9	0	0	0	0	109	R85 M103	R85-S99 VanDerWaalsContact NH1-C 3.35Å; R85-S99 PolarHBondContact NH1-O 2.74Å; R85-S99 PolarHBondContact NH1-OG 2.9Å; S99-M103 WeakPolarHBondContact CA-O 3.39Å
100	M	89.7	Confident	89.9	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	109.5	166.3	-75	-178	82.1	0	0	107.7	L62 A70 L72 I83 R85 L98 D102 M103 V105	L62-M100 HydrophobicContact CD1-CE 4.26Å; L62-M100 HydrophobicContact CD1-SD 3.73Å; A70-M100 HydrophobicContact CB-CE 4.27Å; L72-M100 HydrophobicContact CB-CE 3.67Å; L72-M100 HydrophobicContact CB-SD 3.75Å; L72-M100 HydrophobicContact CD2-CB 4.45Å; L72-M100 HydrophobicContact CD2-SD 4.16Å; L72-M100 HydrophobicContact CG-SD 4.45Å; I83-M100 HydrophobicContact CG2-CE 4.24Å; R85-M100 HydrophobicContact CB-CE 3.83Å; L98-M100 HydrophobicContact CD1-CG 3.56Å; L98-M100 HydrophobicContact CD1-SD 3.71Å; M100-D102 PolarHBondContact O-N 3.36Å; M100-M103 PolarHBondContact N-O 3.02Å; M100-M103 PolarHBondContact O-N 3.46Å; M100-M103 VanDerWaalsContact O-N 3.07Å; M100-V105 HydrophobicContact CB-CG2 4.16Å; M100-V105 HydrophobicContact CG-CG2 4.33Å; M100-V105 HydrophobicContact SD-CG2 4.37Å
101	N	87	Confident	89.9	Confident	79 Å²	79	50.9 Å²	50.9	42%	0.422	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.6	-124.2	-169.7	-59.3	21.6	0	0	0	110.8	R48 M103	R48-N101 PolarHBondContact NH2-O 2.75Å; N101-M103 VanDerWaalsContact C-N 3.31Å
102	D	87.4	Confident	89.2	Confident	135 Å²	135	52.2 Å²	52.2	72%	0.722	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	4.6	-179.8	-55.7	-46.6	0	0	0	113.4	M100	M100-D102 PolarHBondContact O-N 3.36Å
103	M	91.8	Very high	88	Confident	16 Å²	16	56.8 Å²	56.8	8%	0.079	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	151.1	-179.4	-61.4	-175.8	-52.8	0	0	111.3	V45 L72 I74 I83 S99 M100 N101	V45-M103 HydrophobicContact CG1-CB 3.75Å; V45-M103 HydrophobicContact CG1-CE 3.88Å; V45-M103 HydrophobicContact CG1-CG 4.19Å; V45-M103 HydrophobicContact CG1-SD 3.65Å; L72-M103 HydrophobicContact CD2-CE 4.02Å; I74-M103 HydrophobicContact CD1-CE 3.45Å; I74-M103 VanDerWaalsContact CD1-CE 3.45Å; I74-M103 HydrophobicContact CD1-SD 3.93Å; I83-M103 HydrophobicContact CD1-CE 3.1Å; I83-M103 HydrophobicContact CG1-CE 4.44Å; S99-M103 WeakPolarHBondContact CA-O 3.39Å; M100-M103 PolarHBondContact N-O 3.02Å; M100-M103 PolarHBondContact O-N 3.46Å; M100-M103 VanDerWaalsContact O-N 3.07Å; N101-M103 VanDerWaalsContact C-N 3.31Å
104	E	93	Very high	86.4	Confident	29 Å²	29	58 Å²	58	14%	0.136	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	138.3	169.4	-169.7	163.7	-145.8	0	0	108.5	V45 G46 K54 W56 Q97	V45-E104 WeakPolarHBondContact CA-O 3.08Å; G46-E104 PolarHBondContact N-O 2.96Å; G46-E104 PolarHBondContact O-N 3.29Å; K54-E104 WeakPolarHBondContact CE-OE2 3.34Å; K54-E104 IonicContact NZ-OE1 3.7Å; K54-E104 PolarHBondContact NZ-OE1 2.73Å; K54-E104 IonicContact NZ-OE2 2.73Å; K54-E104 PolarHBondContact NZ-OE2 2.88Å; W56-E104 HydrophobicContact CH2-CG 4.12Å; W56-E104 HydrophobicContact CZ3-CB 4.47Å; W56-E104 HydrophobicContact CZ3-CG 4.4Å; Q97-E104 PolarHBondContact OE1-OE1 2.84Å
105	V	93.8	Very high	84.5	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	125.3	-175.5	-178.3	0	0	0	0	107	V43 V44 V45 L72 Q97 L98 M100	V43-V105 HydrophobicContact CB-CG1 3.59Å; V43-V105 HydrophobicContact CG1-CG1 4.1Å; V43-V105 HydrophobicContact CG2-CG1 3.55Å; V44-V105 CarbonylContact O-C 3.47Å; V44-V105 VanDerWaalsContact O-CA 3.31Å; V44-V105 WeakPolarHBondContact O-CA 3.35Å; V45-V105 HydrophobicContact CG1-CG2 4.37Å; V45-V105 HydrophobicContact CG2-CG1 4.48Å; V45-V105 HydrophobicContact CG2-CG2 4.23Å; L72-V105 HydrophobicContact CD1-CG1 4.32Å; L72-V105 HydrophobicContact CD1-CG2 4.48Å; L72-V105 HydrophobicContact CD2-CG2 3.85Å; Q97-V105 CarbonylContact C-O 3.55Å; Q97-V105 WeakPolarHBondContact CA-O 3.49Å; L98-V105 HydrophobicContact CD1-CB 3.58Å; L98-V105 HydrophobicContact CD1-CG1 3.95Å; L98-V105 HydrophobicContact CD1-CG2 4.03Å; L98-V105 HydrophobicContact CG-CB 3.9Å; L98-V105 HydrophobicContact CG-CG1 4.22Å; L98-V105 PolarHBondContact N-O 2.79Å; L98-V105 PolarHBondContact O-N 3.33Å; M100-V105 HydrophobicContact CB-CG2 4.16Å; M100-V105 HydrophobicContact CG-CG2 4.33Å; M100-V105 HydrophobicContact SD-CG2 4.37Å
106	E	93.6	Very high	82.6	Confident	50 Å²	50	65.7 Å²	65.7	23%	0.234	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	128.9	170.9	-177.2	177.5	135.7	0	0	109.2	V43 V44 W56 Q97 V108	V43-E106 CarbonylContact C-O 3.57Å; V43-E106 WeakPolarHBondContact CA-O 3.39Å; V43-E106 WeakPolarHBondContact CB-O 3.49Å; V44-E106 HydrophobicContact CG2-CB 3.72Å; V44-E106 HydrophobicContact CG2-CG 4.5Å; V44-E106 PolarHBondContact N-O 2.89Å; V44-E106 PolarHBondContact O-N 3.1Å; W56-E106 HydrophobicContact CH2-CB 3.53Å; W56-E106 HydrophobicContact CZ2-CB 3.59Å; W56-E106 HydrophobicContact CZ2-CG 4.4Å; W56-E106 WeakPolarHBondContact CZ2-OE2 3.33Å; W56-E106 HydrophobicContact CZ3-CB 4.2Å; Q97-E106 HydrophobicContact CG-CB 3.89Å; Q97-E106 HydrophobicContact CG-CG 3.88Å; Q97-E106 PolarHBondContact NE2-OE2 2.78Å; E106-V108 PolarHBondContact O-N 2.82Å
107	V	93.4	Very high	80.6	Confident	0 Å²	0	67.2 Å²	67.2	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	116.7	175.9	179.3	0	0	0	0	108.4	F41 V43 L62 I92 G95 Q96 L98	F41-V107 HydrophobicContact CB-CG1 3.97Å; F41-V107 HydrophobicContact CD1-CG1 3.57Å; F41-V107 HydrophobicContact CE1-CG1 4.36Å; F41-V107 HydrophobicContact CG-CG1 3.97Å; V43-V107 HydrophobicContact CG1-CB 4.47Å; V43-V107 HydrophobicContact CG1-CG2 4.09Å; L62-V107 HydrophobicContact CD2-CG2 4.4Å; I92-V107 HydrophobicContact CG2-CB 4.09Å; I92-V107 HydrophobicContact CG2-CG1 4.2Å; I92-V107 HydrophobicContact CG2-CG2 3.3Å; G95-V107 WeakPolarHBondContact CA-O 3.2Å; G95-V107 PolarHBondContact N-O 3.24Å; Q96-V107 PolarHBondContact O-N 2.77Å; L98-V107 HydrophobicContact CD2-CG2 3.81Å
108	V	90.9	Very high	78.4	Confident	30 Å²	30	66.2 Å²	66.2	18%	0.182	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	-56	-179.3	178.1	0	0	0	0	109.7	E42 V44 E106 R174	E42-V108 WeakPolarHBondContact O-CB 3.15Å; E42-V108 PolarHBondContact O-N 2.97Å; V44-V108 HydrophobicContact CB-CG2 4.38Å; V44-V108 HydrophobicContact CG1-CG2 3.81Å; V44-V108 HydrophobicContact CG2-CG2 4.01Å; E106-V108 PolarHBondContact O-N 2.82Å; V108-R174 HydrophobicContact CG1-CG 4.04Å
109	Q	88.9	Confident	76.2	Confident	30 Å²	30	70.7 Å²	70.7	14%	0.14	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	159.9	-176	60.7	-175.1	20.1	0	0	111.5	F41 E42 V172	F41-Q109 CarbonylContact C-O 3.57Å; F41-Q109 VanDerWaalsContact CA-O 3.26Å; F41-Q109 WeakPolarHBondContact CA-O 3.43Å; E42-Q109 HydrophobicContact CB-CG 3.93Å; E42-Q109 PolarHBondContact N-O 2.82Å; E42-Q109 PolarHBondContact O-N 2.8Å; E42-Q109 PolarHBondContact OE2-NE2 3.05Å; Q109-V172 PolarHBondContact NE2-O 3.47Å; Q109-V172 VanDerWaalsContact NE2-O 3.16Å
110	E	89	Confident	74.1	Confident	63 Å²	63	73.3 Å²	73.3	29%	0.294	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	127.6	172.6	-168.8	166.3	-167.3	0	0	109.4	R39 H40 F41 F112	R39-E110 WeakPolarHBondContact CD-OE1 3.39Å; R39-E110 WeakPolarHBondContact CG-OE1 3.26Å; H40-E110 CarbonylContact O-C 3.56Å; H40-E110 WeakPolarHBondContact O-CG 3.3Å; F41-E110 HydrophobicContact CD1-CB 3.87Å; F41-E110 HydrophobicContact CD1-CG 4.12Å; F41-E110 HydrophobicContact CE1-CB 3.78Å; F41-E110 HydrophobicContact CE1-CG 3.81Å; F41-E110 HydrophobicContact CZ-CG 4.3Å; E110-F112 HydrophobicContact CG-CZ 4.44Å
111	K	84.3	Confident	71.9	Confident	103 Å²	103	80.6 Å²	80.6	45%	0.448	44%	0.438	S	S	.	.			trans	-94	105.2	177.6	-170.8	176.3	-177.4	175.5	0	108.3	H40 L61 L113	H40-K111 HydrophobicContact CB-CB 4.3Å; H40-K111 PolarHBondContact O-N 3.18Å; L61-K111 HydrophobicContact CD2-CD 4.09Å; K111-L113 PolarHBondContact O-N 3.34Å
112	F	71.6	Confident	69.5	Low	140 Å²	140	80.8 Å²	80.8	61%	0.614	46%	0.459	S	S	*	.			trans	-71.4	112	171.5	-61.7	-80.7	0	0	0	109	E110 D114	E110-F112 HydrophobicContact CG-CZ 4.44Å; F112-D114 PolarHBondContact O-N 2.82Å
113	L	64.6	Low	67.3	Low	106 Å²	106	79.4 Å²	79.4	56%	0.555	46%	0.46	S	S	*	.			trans	-77.6	70.1	169	-80.1	161.5	0	0	0	108.9	H40 K111	H40-L113 HydrophobicContact CB-CD1 4.49Å; H40-L113 WeakPolarHBondContact CE1-CD1 3.12Å; H40-L113 VanDerWaalsContact ND1-CD1 3.32Å; H40-L113 WeakPolarHBondContact ND1-CD1 3.49Å; H40-L113 WeakPolarHBondContact NE2-CD1 3.36Å; K111-L113 PolarHBondContact O-N 3.34Å
114	D	55.6	Low	64.8	Low	89 Å²	89	84.9 Å²	84.9	48%	0.476	50%	0.5	S	S	.	.			trans	-82.9	118.4	165.6	-63.6	-27.5	0	0	0	107.5	F112 N116 K171	F112-D114 PolarHBondContact O-N 2.82Å; D114-N116 PolarHBondContact O-N 3.41Å; D114-K171 IonicContact OD2-NZ 3.41Å; D114-K171 PolarHBondContact OD2-NZ 3.47Å
115	N	50	Low	62.1	Low	157 Å²	157	86.8 Å²	86.8	84%	0.84	52%	0.521	S	S	*	.			trans	-65.1	18.9	175.2	-76.6	-19.5	0	0	0	114.3	S117	N115-S117 PolarHBondContact O-N 3.48Å
116	N	48.7	Very low	59.4	Low	135 Å²	135	92 Å²	92	72%	0.722	56%	0.563	S	S	*	*			trans	-89.2	79.3	172.6	-73.6	12.5	0	0	0	108.4	D114 C118	D114-N116 PolarHBondContact O-N 3.41Å; N116-C118 PolarHBondContact O-N 3.16Å
117	S	46.9	Very low	56.8	Low	93 Å²	93	97.2 Å²	97.2	65%	0.65	59%	0.592	S	S	*	*			trans	-57.7	121.9	162.1	65	0	0	0	0	107.8	N115 V119	N115-S117 PolarHBondContact O-N 3.48Å; S117-V119 PolarHBondContact O-N 3.11Å
118	C	45	Very low	54	Low	67 Å²	67	108.4 Å²	108.4	45%	0.453	63%	0.634	S	S	.	*			trans	-61.2	94.8	160.5	39.7	0	0	0	0	108.1	N116 S120 C168	N116-C118 PolarHBondContact O-N 3.16Å; C118-S120 VanDerWaalsContact C-N 3.34Å; C118-S120 PolarHBondContact O-N 3.03Å; C118-C168 HydrophobicContact CB-CB 3.93Å; C118-C168 WeakPolarHBondContact CB-SG 3.35Å; C118-C168 WeakPolarHBondContact SG-CB 3.29Å; C118-C168 CovalentContact SG-SG 2.01Å; C118-C168 PolarHBondContact SG-SG 3.05Å
119	V	46.8	Very low	51.6	Low	114 Å²	114	113.1 Å²	113.1	69%	0.691	67%	0.666	S	S	*	*			trans	-74.3	96.8	158.8	-92.7	0	0	0	0	106.1	S117 D121	S117-V119 PolarHBondContact O-N 3.11Å; V119-D121 PolarHBondContact O-N 2.01Å
120	S	44.9	Very low	49	Very low	104 Å²	104	118.3 Å²	118.3	73%	0.727	70%	0.699	S	S	*	*			trans	-71.5	74.8	165.4	-53.8	0	0	0	0	108.6	C118 G122	C118-S120 VanDerWaalsContact C-N 3.34Å; C118-S120 PolarHBondContact O-N 3.03Å; S120-G122 PolarHBondContact O-N 3.22Å
121	D	42.6	Very low	46.6	Very low	152 Å²	152	122 Å²	122	81%	0.813	73%	0.726	S	S	*	*			trans	-73.1	106.7	160.9	-90.4	-18.9	0	0	0	107.3	V119 S123	V119-D121 PolarHBondContact O-N 2.01Å; D121-S123 PolarHBondContact O-N 2.73Å
122	G	37	Very low	44.4	Very low	84 Å²	84	121.9 Å²	121.9	87%	0.866	74%	0.738	S	S	*	*			trans	-58.3	106.2	174.4	0	0	0	0	0	110.3	S120	S120-G122 PolarHBondContact O-N 3.22Å
123	S	41.1	Very low	42.8	Very low	105 Å²	105	121.6 Å²	121.6	73%	0.734	74%	0.743	S	S	*	*			trans	-144.6	102.4	157.7	-165.4	0	0	0	0	109.3	D121 A125	D121-S123 PolarHBondContact O-N 2.73Å; S123-A125 VanDerWaalsContact C-N 3.35Å; S123-A125 PolarHBondContact O-N 3.19Å
124	S	39.8	Very low	41.5	Very low	132 Å²	132	123.6 Å²	123.6	92%	0.923	75%	0.754	S	S	*	*			trans	-58.1	93.5	165.3	154.9	0	0	0	0	109.1
125	A	35.7	Very low	40.9	Very low	69 Å²	69	124.2 Å²	124.2	57%	0.57	77%	0.772	S	S	*	*			trans	-146	115.4	163.2	0	0	0	0	0	109.1	S123 L127	S123-A125 VanDerWaalsContact C-N 3.35Å; S123-A125 PolarHBondContact O-N 3.19Å; A125-L127 PolarHBondContact O-N 3.23Å; A125-L127 VanDerWaalsContact O-N 3.16Å
126	A	36.6	Very low	40.3	Very low	108 Å²	108	124.2 Å²	124.2	89%	0.893	77%	0.771	S	S	*	*			trans	-49.3	114.6	179.6	0	0	0	0	0	111.9
127	L	39.9	Very low	40	Very low	161 Å²	161	127.7 Å²	127.7	84%	0.843	78%	0.78	S	S	*	*			trans	-129.3	110.1	170.3	-68.7	175.9	0	0	0	109	A125	A125-L127 PolarHBondContact O-N 3.23Å; A125-L127 VanDerWaalsContact O-N 3.16Å
128	R	35	Very low	39.9	Very low	235 Å²	235	128.1 Å²	128.1	89%	0.887	77%	0.771	S	S	*	*			trans	-56.2	136.9	168.1	-69	170.9	165.5	168.2	-5.6	109.1	T130	R128-T130 PolarHBondContact O-N 2.82Å; R128-T130 VanDerWaalsContact O-N 3.09Å
129	P	40.3	Very low	40	Very low	129 Å²	129	129.6 Å²	129.6	84%	0.838	78%	0.778	S	S	*	*			trans	-79.5	100.4	175.1	29.3	-25.3	0	0	0	109
130	T	33.8	Very low	40	Very low	139 Å²	139	128 Å²	128	85%	0.853	77%	0.768	S	S	*	*			trans	-73.5	120.4	160.4	8.1	0	0	0	0	108.9	R128	R128-T130 PolarHBondContact O-N 2.82Å; R128-T130 VanDerWaalsContact O-N 3.09Å
131	V	38.1	Very low	40.2	Very low	139 Å²	139	130 Å²	130	84%	0.842	76%	0.761	S	S	*	*			trans	-57.5	126	177.4	177.3	0	0	0	0	111.3
132	S	38.1	Very low	40.2	Very low	102 Å²	102	132 Å²	132	71%	0.713	76%	0.763	S	S	*	*			trans	-159.2	107.7	148.4	67.3	0	0	0	0	111.2
133	D	39.1	Very low	40.8	Very low	133 Å²	133	134 Å²	134	71%	0.711	76%	0.757	S	S	*	*			trans	42.5	99.2	136.4	-62.8	-17.1	0	0	0	118.4
134	N	36.4	Very low	41.1	Very low	149 Å²	149	134 Å²	134	80%	0.797	76%	0.755	S	S	*	*				154.3	125.3	107.1	-74.1	-41.8	0	0	0	112.8
135	A	42.4	Very low	41.5	Very low	102 Å²	102	133.6 Å²	133.6	84%	0.843	75%	0.749	S	S	*	*			trans	86.8	10.5	148.2	0	0	0	0	0	122.2
136	L	39	Very low	42.2	Very low	156 Å²	156	139.6 Å²	139.6	82%	0.817	76%	0.763	S	S	*	*			trans	-97.7	118.4	172.1	-62.2	-179	0	0	0	111.2	E138	L136-E138 PolarHBondContact O-N 2.96Å
137	K	40.9	Very low	42.5	Very low	209 Å²	209	142.2 Å²	142.2	91%	0.909	76%	0.762	S	S	*	*			trans	-66.2	83.9	166.7	-74.7	-179.5	179	177.5	0	108.1
138	E	46.1	Very low	43.3	Very low	101 Å²	101	136.4 Å²	136.4	47%	0.472	74%	0.741	S	S	.	*			trans	-63.6	128.3	167.1	-170.4	162.1	-150.8	0	0	108.4	L136 V140 E162 S164	L136-E138 PolarHBondContact O-N 2.96Å; E138-V140 HydrophobicContact CB-CG2 4.22Å; E138-V140 HydrophobicContact CG-CG2 4.13Å; E138-V140 PolarHBondContact O-N 3Å; E138-E162 VanDerWaalsContact CD-CD 3.45Å; E138-E162 WeakPolarHBondContact CG-OE1 3.4Å; E138-S164 PolarHBondContact OE1-OG 3.03Å
139	V	47.4	Very low	43.7	Very low	99 Å²	99	131.6 Å²	131.6	60%	0.6	74%	0.74	S	S	*	*			trans	-79.4	79.4	175.9	-173.5	0	0	0	0	107.4	Y141	V139-Y141 HydrophobicContact CB-CE2 4.33Å; V139-Y141 HydrophobicContact CG1-CD1 4.43Å; V139-Y141 HydrophobicContact CG1-CD2 4.29Å; V139-Y141 HydrophobicContact CG1-CE1 3.78Å; V139-Y141 HydrophobicContact CG1-CE2 3.62Å; V139-Y141 WeakPolarHBondContact CG1-OH 3.04Å; V139-Y141 WeakPolarHBondContact O-CD2 2.86Å; V139-Y141 PolarHBondContact O-N 3.2Å
140	V	46.7	Very low	43.8	Very low	80 Å²	80	130.9 Å²	130.9	49%	0.485	74%	0.738	S	S	.	*			trans	-74.7	109.7	176	-178	0	0	0	0	108.2	E138 E162	E138-V140 HydrophobicContact CB-CG2 4.22Å; E138-V140 HydrophobicContact CG-CG2 4.13Å; E138-V140 PolarHBondContact O-N 3Å; V140-E162 WeakPolarHBondContact CA-OE1 3.41Å; V140-E162 WeakPolarHBondContact CG2-OE1 3.35Å
141	Y	48.9	Very low	44.3	Very low	146 Å²	146	133.8 Å²	133.8	57%	0.573	74%	0.739	S	S	*	*			trans	-87.9	113.6	171.6	-59.3	-82	0	0	0	109.9	V139	V139-Y141 HydrophobicContact CB-CE2 4.33Å; V139-Y141 HydrophobicContact CG1-CD1 4.43Å; V139-Y141 HydrophobicContact CG1-CD2 4.29Å; V139-Y141 HydrophobicContact CG1-CE1 3.78Å; V139-Y141 HydrophobicContact CG1-CE2 3.62Å; V139-Y141 WeakPolarHBondContact CG1-OH 3.04Å; V139-Y141 WeakPolarHBondContact O-CD2 2.86Å; V139-Y141 PolarHBondContact O-N 3.2Å
142	K	42.6	Very low	44.3	Very low	195 Å²	195	132.6 Å²	132.6	85%	0.848	74%	0.737	S	S	*	*			trans	-87.4	113.2	168.3	-71.7	-172.7	178.8	-169.4	0	109.9
143	V	48.6	Very low	44.6	Very low	125 Å²	125	139.2 Å²	139.2	76%	0.758	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-91	128	172.2	-177.1	0	0	0	0	109.1
144	P	48	Very low	44.6	Very low	104 Å²	104	136.7 Å²	136.7	68%	0.675	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-70.4	151.5	178.5	26.7	-31.9	0	0	0	112.2	F146	P144-F146 PolarHBondContact O-N 3.31Å
145	P	48.6	Very low	44.9	Very low	124 Å²	124	138.8 Å²	138.8	81%	0.805	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-69.2	130.8	-179.5	-6.5	22.5	0	0	0	110.3
146	F	49.7	Very low	45	Very low	195 Å²	195	142.6 Å²	142.6	86%	0.855	75%	0.745	S	S	*	*			trans	-94.9	113.1	174.3	-178.5	-102.1	0	0	0	110.2	P144 G148	P144-F146 PolarHBondContact O-N 3.31Å; F146-G148 PolarHBondContact O-N 3.3Å
147	D	43.8	Very low	45.4	Very low	163 Å²	163	139.8 Å²	139.8	87%	0.872	73%	0.73	S	S	*	*			trans	-86	94.6	171	-71.6	-34.1	0	0	0	109.7
148	G	55.3	Low	45.6	Very low	39 Å²	39	137.2 Å²	137.2	40%	0.402	72%	0.721	S	S	.	*			trans	-136.2	150.6	175.4	0	0	0	0	0	112.7	F146	F146-G148 PolarHBondContact O-N 3.3Å
149	P	44.6	Very low	45.7	Very low	134 Å²	134	137.6 Å²	137.6	87%	0.87	72%	0.719	S	S	*	*			trans	-74.7	141.9	-164.7	10.3	1.8	0	0	0	112.8
150	S	41.5	Very low	45.8	Very low	115 Å²	115	138.2 Å²	138.2	80%	0.804	73%	0.727	S	S	*	*			trans	-46.7	126.9	-174.2	56.8	0	0	0	0	115.8
151	F	44.4	Very low	46.2	Very low	199 Å²	199	142.1 Å²	142.1	87%	0.873	74%	0.74	S	S	*	*			trans	-119.2	123.1	150.9	-111.5	-95	0	0	0	109.4
152	S	39	Very low	46.9	Very low	115 Å²	115	139.6 Å²	139.6	80%	0.804	73%	0.734	S	S	*	*	S	Bend	trans	-69.2	149.5	-173.1	48	0	0	0	0	113.4
153	Y	44.3	Very low	48.1	Very low	241 Å²	241	134.5 Å²	134.5	95%	0.945	72%	0.715	S	S	*	*			trans	83.7	27.4	-177.8	-144	-94.4	0	0	0	117.2
154	A	39.2	Very low	49.4	Very low	79 Å²	79	132.1 Å²	132.1	65%	0.653	70%	0.704	S	S	*	*			trans	-97.8	109.5	163	0	0	0	0	0	109.4	K156	A154-K156 PolarHBondContact O-N 3.07Å
155	K	41.2	Very low	51.1	Low	193 Å²	193	130.5 Å²	130.5	84%	0.839	69%	0.689	S	S	*	*			trans	-62.9	90.2	153.4	-174.8	177.1	-177	179.1	0	105.7	I157	K155-I157 VanDerWaalsContact C-N 3.29Å; K155-I157 PolarHBondContact O-N 2.78Å
156	K	44.2	Very low	52.8	Low	183 Å²	183	128.7 Å²	128.7	80%	0.796	67%	0.672	S	S	*	*			trans	-63.5	92.5	175.3	-170.9	179.9	-176.8	-174	0	106.6	A154 E158	A154-K156 PolarHBondContact O-N 3.07Å; K156-E158 VanDerWaalsContact C-N 3.3Å; K156-E158 PolarHBondContact O-N 3.01Å
157	I	47.8	Very low	54.2	Low	96 Å²	96	123.1 Å²	123.1	49%	0.492	65%	0.654	S	S	.	*			trans	-69.6	99.9	167.6	-63.1	173.9	0	0	0	104.8	K155 W159	K155-I157 VanDerWaalsContact C-N 3.29Å; K155-I157 PolarHBondContact O-N 2.78Å; I157-W159 HydrophobicContact CG2-CZ2 4.1Å; I157-W159 VanDerWaalsContact O-CD1 3.29Å; I157-W159 PolarHBondContact O-N 3.13Å; I157-W159 PolarHBondContact O-NE1 2.89Å
158	E	44.8	Very low	55.8	Low	156 Å²	156	117 Å²	117	73%	0.729	62%	0.624	S	S	*	*			trans	-71.8	113.4	170.3	-170.4	169.3	-153.7	0	0	107.2	K156 S160	K156-E158 VanDerWaalsContact C-N 3.3Å; K156-E158 PolarHBondContact O-N 3.01Å; E158-S160 PolarHBondContact O-N 3.16Å; E158-S160 VanDerWaalsContact O-N 3.11Å
159	W	48	Very low	57.1	Low	109 Å²	109	122.8 Å²	122.8	41%	0.413	63%	0.634	S	S	.	*			trans	-78.1	97.1	177.6	-67.7	79.6	0	0	0	108.3	I157 E161 I163 Y185 L191	I157-W159 HydrophobicContact CG2-CZ2 4.1Å; I157-W159 VanDerWaalsContact O-CD1 3.29Å; I157-W159 PolarHBondContact O-N 3.13Å; I157-W159 PolarHBondContact O-NE1 2.89Å; W159-E161 VanDerWaalsContact C-N 3.35Å; W159-I163 HydrophobicContact CE3-CD1 3.61Å; W159-I163 HydrophobicContact CE3-CG1 4.27Å; W159-I163 HydrophobicContact CH2-CD1 4.39Å; W159-I163 HydrophobicContact CZ3-CD1 3.51Å; W159-I163 HydrophobicContact CZ3-CG1 4.11Å; W159-Y185 HydrophobicContact CH2-CE1 4.02Å; W159-Y185 WeakPolarHBondContact CH2-OH 3.34Å; W159-Y185 HydrophobicContact CZ3-CE1 4.18Å; W159-Y185 VanDerWaalsContact CZ3-OH 3.25Å; W159-Y185 WeakPolarHBondContact CZ3-OH 3.27Å; W159-L191 HydrophobicContact CD2-CD1 4Å; W159-L191 HydrophobicContact CG-CD1 4.5Å; W159-L191 HydrophobicContact CH2-CD1 4.06Å; W159-L191 HydrophobicContact CZ2-CD1 3.17Å; W159-L191 HydrophobicContact CZ2-CD2 3.67Å; W159-L191 HydrophobicContact CZ2-CG 3.76Å
160	S	49.5	Very low	58.7	Low	112 Å²	112	118.8 Å²	118.8	78%	0.783	61%	0.609	S	S	*	*			trans	-94.5	0.8	166.1	-53.8	0	0	0	0	112	E158	E158-S160 PolarHBondContact O-N 3.16Å; E158-S160 VanDerWaalsContact O-N 3.11Å
161	E	55.8	Low	60.4	Low	161 Å²	161	118.1 Å²	118.1	75%	0.752	59%	0.592	S	S	*	*	S	Bend	trans	-110.8	118.2	-177.4	-138.1	164.4	-158.6	0	0	109.7	W159 I163	W159-E161 VanDerWaalsContact C-N 3.35Å; E161-I163 PolarHBondContact O-N 3.25Å
162	E	63.7	Low	62	Low	94 Å²	94	113.1 Å²	113.1	44%	0.439	58%	0.577	S	S	.	*			trans	-68	114.8	175.1	-176.8	158	-158.4	0	0	108.9	E138 V140 S164	E138-E162 VanDerWaalsContact CD-CD 3.45Å; E138-E162 WeakPolarHBondContact CG-OE1 3.4Å; V140-E162 WeakPolarHBondContact CA-OE1 3.41Å; V140-E162 WeakPolarHBondContact CG2-OE1 3.35Å; E162-S164 PolarHBondContact O-N 3.33Å
163	I	68.3	Low	64.1	Low	87 Å²	87	109.2 Å²	109.2	45%	0.446	55%	0.547	S	S	.	.			trans	-88	97.9	176.5	-58.8	143.4	0	0	0	107.7	W159 E161 Y185	W159-I163 HydrophobicContact CE3-CD1 3.61Å; W159-I163 HydrophobicContact CE3-CG1 4.27Å; W159-I163 HydrophobicContact CH2-CD1 4.39Å; W159-I163 HydrophobicContact CZ3-CD1 3.51Å; W159-I163 HydrophobicContact CZ3-CG1 4.11Å; E161-I163 PolarHBondContact O-N 3.25Å; I163-Y185 HydrophobicContact CD1-CD1 3.87Å; I163-Y185 HydrophobicContact CD1-CE1 3.1Å; I163-Y185 HydrophobicContact CD1-CE2 4.32Å; I163-Y185 WeakPolarHBondContact CD1-OH 3.5Å; I163-Y185 HydrophobicContact CG1-CE1 4.32Å; I163-Y185 HydrophobicContact CG2-CE2 4.47Å
164	S	75.7	Confident	66	Low	76 Å²	76	100.1 Å²	100.1	53%	0.531	51%	0.511	S	S	.	.	P	Polyproline II helix	trans	-79.7	131.2	173.8	-38.3	0	0	0	0	109.3	E138 E162	E138-S164 PolarHBondContact OE1-OG 3.03Å; E162-S164 PolarHBondContact O-N 3.33Å
165	L	82.5	Confident	68	Low	70 Å²	70	100.5 Å²	100.5	37%	0.366	51%	0.507	S	S	.	.	P	Polyproline II helix	trans	-70.9	143.4	166.2	-71.6	173.2	0	0	0	108.9	V167 L178 V181	L165-V167 PolarHBondContact O-N 3.16Å; L165-L178 HydrophobicContact CD1-CD2 3.58Å; L165-V181 HydrophobicContact CD1-CB 4.48Å; L165-V181 HydrophobicContact CD1-CG1 4.01Å; L165-V181 HydrophobicContact CD2-CG1 3.73Å
166	D	85.4	Confident	70.1	Confident	85 Å²	85	96.6 Å²	96.6	46%	0.455	49%	0.491	S	S	.	.	P	Polyproline II helix	trans	-51.4	133.5	172.8	171.5	3.2	0	0	0	109.6	C168 W169 S170	D166-C168 PolarHBondContact O-N 3.47Å; D166-C168 PolarHBondContact OD1-N 2.88Å; D166-W169 PolarHBondContact O-N 3.07Å; D166-S170 PolarHBondContact O-N 2.96Å
167	V	79.6	Confident	72.2	Confident	79 Å²	79	91.3 Å²	91.3	48%	0.479	47%	0.47	S	S	.	.	H	α-helix	trans	-49.9	-33.7	-177.3	-179.3	0	0	0	0	111.5	L165 W169 S170 K171	L165-V167 PolarHBondContact O-N 3.16Å; V167-W169 VanDerWaalsContact C-N 3.34Å; V167-W169 PolarHBondContact O-N 3.29Å; V167-S170 WeakPolarHBondContact CA-OG 3.39Å; V167-S170 PolarHBondContact O-OG 2.91Å; V167-K171 HydrophobicContact CG1-CD 4.17Å; V167-K171 WeakPolarHBondContact O-CG 3.24Å; V167-K171 PolarHBondContact O-N 3.16Å
168	C	76.4	Confident	74	Confident	35 Å²	35	88.5 Å²	88.5	24%	0.236	46%	0.455	C	S	.	.	H	α-helix	trans	-68.5	-31.1	178.8	-97.1	0	0	0	0	114.1	C118 D166 V172	C118-C168 HydrophobicContact CB-CB 3.93Å; C118-C168 WeakPolarHBondContact CB-SG 3.35Å; C118-C168 WeakPolarHBondContact SG-CB 3.29Å; C118-C168 CovalentContact SG-SG 2.01Å; C118-C168 PolarHBondContact SG-SG 3.05Å; D166-C168 PolarHBondContact O-N 3.47Å; D166-C168 PolarHBondContact OD1-N 2.88Å; C168-V172 WeakPolarHBondContact O-CG2 3.36Å
169	W	82.6	Confident	76	Confident	159 Å²	159	86.9 Å²	86.9	60%	0.602	45%	0.448	S	S	*	.	H	α-helix	trans	-85.9	-37.5	176.2	-63.7	94	0	0	0	111.4	D166 V167 K171 V172 L173	D166-W169 PolarHBondContact O-N 3.07Å; V167-W169 VanDerWaalsContact C-N 3.34Å; V167-W169 PolarHBondContact O-N 3.29Å; W169-K171 PolarHBondContact O-N 2.93Å; W169-V172 PolarHBondContact O-N 3.23Å; W169-L173 HydrophobicContact CB-CD1 4.17Å; W169-L173 WeakPolarHBondContact O-CB 3.41Å; W169-L173 VanDerWaalsContact O-CG 3.24Å; W169-L173 WeakPolarHBondContact O-CG 3.42Å; W169-L173 PolarHBondContact O-N 3.4Å
170	S	79.6	Confident	77.8	Confident	50 Å²	50	82.7 Å²	82.7	35%	0.35	44%	0.438	S	S	.	.	H	α-helix	trans	-63.4	-28.8	-178.5	66.5	0	0	0	0	113.7	D166 V167	D166-S170 PolarHBondContact O-N 2.96Å; V167-S170 WeakPolarHBondContact CA-OG 3.39Å; V167-S170 PolarHBondContact O-OG 2.91Å
171	K	76.5	Confident	79.8	Confident	101 Å²	101	79.9 Å²	79.9	44%	0.439	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-25.5	177.5	-69.6	-177.9	180	-167.6	0	114.9	D114 V167 W169	D114-K171 IonicContact OD2-NZ 3.41Å; D114-K171 PolarHBondContact OD2-NZ 3.47Å; V167-K171 HydrophobicContact CG1-CD 4.17Å; V167-K171 WeakPolarHBondContact O-CG 3.24Å; V167-K171 PolarHBondContact O-N 3.16Å; W169-K171 PolarHBondContact O-N 2.93Å
172	V	78.3	Confident	81.1	Confident	95 Å²	95	77.3 Å²	77.3	58%	0.576	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.7	-33.3	-172.4	179.4	0	0	0	0	111.3	Q109 C168 W169	Q109-V172 PolarHBondContact NE2-O 3.47Å; Q109-V172 VanDerWaalsContact NE2-O 3.16Å; C168-V172 WeakPolarHBondContact O-CG2 3.36Å; W169-V172 PolarHBondContact O-N 3.23Å
173	L	83.5	Confident	82.1	Confident	32 Å²	32	77.3 Å²	77.3	17%	0.168	40%	0.403	C	S	.	.	S	Bend	trans	-72.5	130.3	-178.7	-66.6	175.9	0	0	0	111.2	W169 Q177 L178 V181	W169-L173 HydrophobicContact CB-CD1 4.17Å; W169-L173 WeakPolarHBondContact O-CB 3.41Å; W169-L173 VanDerWaalsContact O-CG 3.24Å; W169-L173 WeakPolarHBondContact O-CG 3.42Å; W169-L173 PolarHBondContact O-N 3.4Å; L173-Q177 HydrophobicContact CB-CB 4.08Å; L173-Q177 HydrophobicContact CD2-CB 3.98Å; L173-L178 HydrophobicContact CB-CD2 3.72Å; L173-L178 HydrophobicContact CB-CG 3.75Å; L173-L178 HydrophobicContact CD1-CD2 3.8Å; L173-L178 HydrophobicContact CG-CD2 4.39Å; L173-V181 HydrophobicContact CD1-CG2 4Å
174	R	82.7	Confident	83.1	Confident	50 Å²	50	77 Å²	77	19%	0.189	40%	0.402	C	S	.	.			trans	-64.3	154	171.8	-58.8	174.9	-171.1	-169.7	0.9	109.2	E42 D59 V108 H176 Q177 L178	E42-R174 IonicContact OE1-CZ 3.43Å; E42-R174 IonicContact OE1-NE 3.1Å; E42-R174 IonicContact OE1-NH2 2.89Å; E42-R174 PolarHBondContact OE1-NH2 2.9Å; D59-R174 IonicContact OD1-NH2 3.52Å; V108-R174 HydrophobicContact CG1-CG 4.04Å; R174-H176 VanDerWaalsContact C-N 3.3Å; R174-H176 PolarHBondContact O-N 2.84Å; R174-H176 VanDerWaalsContact O-N 3.13Å; R174-Q177 HydrophobicContact CB-CG 4.17Å; R174-Q177 WeakPolarHBondContact O-CA 3.32Å; R174-Q177 VanDerWaalsContact O-CB 3.29Å; R174-Q177 WeakPolarHBondContact O-CB 3.45Å; R174-Q177 PolarHBondContact O-N 3.16Å; R174-L178 PolarHBondContact O-N 3.23Å
175	P	82.5	Confident	83.7	Confident	87 Å²	87	77 Å²	77	57%	0.565	39%	0.391	S	S	*	.	H	α-helix	trans	-50.1	-45.1	-177.3	-30.7	35.6	0	0	0	114.4	Q177 L178 E179	P175-Q177 VanDerWaalsContact C-N 3.26Å; P175-Q177 PolarHBondContact O-N 3.15Å; P175-L178 WeakPolarHBondContact O-CB 3.4Å; P175-L178 PolarHBondContact O-N 3.22Å; P175-L178 VanDerWaalsContact O-N 3.16Å; P175-E179 WeakPolarHBondContact O-CG 3.49Å; P175-E179 PolarHBondContact O-N 3.39Å
176	H	84.2	Confident	83.7	Confident	111 Å²	111	77.1 Å²	77.1	51%	0.514	39%	0.388	S	S	.	.	H	α-helix	trans	-66.5	-25.6	177	70.1	-89	0	0	0	113.8	R174 G180	R174-H176 VanDerWaalsContact C-N 3.3Å; R174-H176 PolarHBondContact O-N 2.84Å; R174-H176 VanDerWaalsContact O-N 3.13Å; H176-G180 PolarHBondContact O-N 2.9Å
177	Q	88.2	Confident	83.7	Confident	73 Å²	73	73.2 Å²	73.2	34%	0.341	37%	0.368	S	S	.	.	H	α-helix	trans	-75.9	-40	173.7	-61.3	175.2	-36.9	0	0	110.3	L173 R174 P175 G180 V181	L173-Q177 HydrophobicContact CB-CB 4.08Å; L173-Q177 HydrophobicContact CD2-CB 3.98Å; R174-Q177 HydrophobicContact CB-CG 4.17Å; R174-Q177 WeakPolarHBondContact O-CA 3.32Å; R174-Q177 VanDerWaalsContact O-CB 3.29Å; R174-Q177 WeakPolarHBondContact O-CB 3.45Å; R174-Q177 PolarHBondContact O-N 3.16Å; P175-Q177 VanDerWaalsContact C-N 3.26Å; P175-Q177 PolarHBondContact O-N 3.15Å; Q177-G180 PolarHBondContact O-N 3.24Å; Q177-G180 VanDerWaalsContact O-N 3.16Å; Q177-V181 WeakPolarHBondContact O-CG2 3.41Å; Q177-V181 PolarHBondContact O-N 3.15Å
178	L	86.8	Confident	84	Confident	36 Å²	36	74.1 Å²	74.1	19%	0.188	37%	0.369	C	S	.	.	H	α-helix	trans	-60.4	-45.6	172.3	-69.3	169.4	0	0	0	111.4	L165 L173 R174 P175 G180 V181 H182	L165-L178 HydrophobicContact CD1-CD2 3.58Å; L173-L178 HydrophobicContact CB-CD2 3.72Å; L173-L178 HydrophobicContact CB-CG 3.75Å; L173-L178 HydrophobicContact CD1-CD2 3.8Å; L173-L178 HydrophobicContact CG-CD2 4.39Å; R174-L178 PolarHBondContact O-N 3.23Å; P175-L178 WeakPolarHBondContact O-CB 3.4Å; P175-L178 PolarHBondContact O-N 3.22Å; P175-L178 VanDerWaalsContact O-N 3.16Å; L178-G180 VanDerWaalsContact C-N 3.28Å; L178-G180 PolarHBondContact O-N 3.33Å; L178-V181 PolarHBondContact O-N 3.48Å; L178-H182 WeakPolarHBondContact O-CB 3.43Å; L178-H182 PolarHBondContact O-N 3.32Å
179	E	85.1	Confident	84.3	Confident	122 Å²	122	74.5 Å²	74.5	57%	0.57	37%	0.372	S	S	*	.	H	α-helix	trans	-57.6	-41.8	172.7	-71.7	171.1	-156.7	0	0	111.6	P175 H182 F183	P175-E179 WeakPolarHBondContact O-CG 3.49Å; P175-E179 PolarHBondContact O-N 3.39Å; E179-H182 PolarHBondContact O-N 2.97Å; E179-F183 VanDerWaalsContact O-CB 3.32Å; E179-F183 WeakPolarHBondContact O-CB 3.41Å; E179-F183 PolarHBondContact O-N 3.06Å
180	G	87.8	Confident	84.2	Confident	21 Å²	21	68 Å²	68	22%	0.216	35%	0.354	C	S	.	.	H	α-helix	trans	-63.7	-41.1	176	0	0	0	0	0	113.6	H176 Q177 L178 F183 L184	H176-G180 PolarHBondContact O-N 2.9Å; Q177-G180 PolarHBondContact O-N 3.24Å; Q177-G180 VanDerWaalsContact O-N 3.16Å; L178-G180 VanDerWaalsContact C-N 3.28Å; L178-G180 PolarHBondContact O-N 3.33Å; G180-F183 PolarHBondContact O-N 3.49Å; G180-L184 WeakPolarHBondContact O-CB 3.42Å; G180-L184 PolarHBondContact O-N 3.09Å
181	V	89.5	Confident	83.8	Confident	54 Å²	54	67.7 Å²	67.7	33%	0.327	35%	0.348	S	S	.	.	H	α-helix	trans	-65.7	-44.9	175	172.9	0	0	0	0	110.6	L165 L173 Q177 L178 F183 L184 Y185	L165-V181 HydrophobicContact CD1-CB 4.48Å; L165-V181 HydrophobicContact CD1-CG1 4.01Å; L165-V181 HydrophobicContact CD2-CG1 3.73Å; L173-V181 HydrophobicContact CD1-CG2 4Å; Q177-V181 WeakPolarHBondContact O-CG2 3.41Å; Q177-V181 PolarHBondContact O-N 3.15Å; L178-V181 PolarHBondContact O-N 3.48Å; V181-F183 PolarHBondContact O-N 3.34Å; V181-L184 PolarHBondContact O-N 2.93Å; V181-Y185 PolarHBondContact O-N 2.96Å
182	H	84.7	Confident	83.7	Confident	107 Å²	107	64 Å²	64	50%	0.495	33%	0.333	S	S	.	.	H	α-helix	trans	-61	-44.1	176.2	179.9	-99.3	0	0	0	111.8	L178 E179 L184 Y185 K186	L178-H182 WeakPolarHBondContact O-CB 3.43Å; L178-H182 PolarHBondContact O-N 3.32Å; E179-H182 PolarHBondContact O-N 2.97Å; H182-L184 PolarHBondContact O-N 3.34Å; H182-Y185 PolarHBondContact O-N 3.24Å; H182-K186 PolarHBondContact O-N 2.9Å
183	F	85.1	Confident	83.3	Confident	93 Å²	93	66.4 Å²	66.4	41%	0.408	34%	0.343	S	S	.	.	H	α-helix	trans	-58.9	-46	174	171.3	-99	0	0	0	112	E179 G180 V181 Y185 K186 C187 A199 L201	E179-F183 VanDerWaalsContact O-CB 3.32Å; E179-F183 WeakPolarHBondContact O-CB 3.41Å; E179-F183 PolarHBondContact O-N 3.06Å; G180-F183 PolarHBondContact O-N 3.49Å; V181-F183 PolarHBondContact O-N 3.34Å; F183-Y185 VanDerWaalsContact C-N 3.34Å; F183-Y185 PolarHBondContact O-N 3.25Å; F183-K186 PolarHBondContact O-N 3.48Å; F183-C187 VanDerWaalsContact CZ-SG 3.59Å; F183-C187 PolarHBondContact O-N 3.31Å; F183-C187 PolarHBondContact O-SG 2.88Å; F183-A199 HydrophobicContact CE1-CB 4.29Å; F183-L201 HydrophobicContact CD1-CD1 4.42Å
184	L	88.9	Confident	82.7	Confident	81 Å²	81	70.9 Å²	70.9	42%	0.424	37%	0.366	S	S	.	.	H	α-helix	trans	-60.9	-45.8	178.2	-177.3	61.7	0	0	0	110.7	G180 V181 H182 K186 C187 I188 A199	G180-L184 WeakPolarHBondContact O-CB 3.42Å; G180-L184 PolarHBondContact O-N 3.09Å; V181-L184 PolarHBondContact O-N 2.93Å; H182-L184 PolarHBondContact O-N 3.34Å; L184-K186 PolarHBondContact O-N 2.81Å; L184-C187 PolarHBondContact O-N 3.32Å; L184-C187 VanDerWaalsContact O-N 3.15Å; L184-I188 HydrophobicContact CD1-CG2 4.04Å; L184-I188 HydrophobicContact CG-CG2 4.37Å; L184-I188 WeakPolarHBondContact O-CG1 3.35Å; L184-I188 WeakPolarHBondContact O-CG2 3.49Å; L184-I188 PolarHBondContact O-N 3.15Å; L184-A199 HydrophobicContact CD1-CB 3.64Å
185	Y	87.3	Confident	82.1	Confident	75 Å²	75	71.3 Å²	71.3	29%	0.294	39%	0.387	S	S	.	.	H	α-helix	trans	-57.1	-49.1	176.1	-175.6	-88.2	0	0	0	111.9	W159 I163 V181 H182 F183 C187 I188 S189 L191	W159-Y185 HydrophobicContact CH2-CE1 4.02Å; W159-Y185 WeakPolarHBondContact CH2-OH 3.34Å; W159-Y185 HydrophobicContact CZ3-CE1 4.18Å; W159-Y185 VanDerWaalsContact CZ3-OH 3.25Å; W159-Y185 WeakPolarHBondContact CZ3-OH 3.27Å; I163-Y185 HydrophobicContact CD1-CD1 3.87Å; I163-Y185 HydrophobicContact CD1-CE1 3.1Å; I163-Y185 HydrophobicContact CD1-CE2 4.32Å; I163-Y185 WeakPolarHBondContact CD1-OH 3.5Å; I163-Y185 HydrophobicContact CG1-CE1 4.32Å; I163-Y185 HydrophobicContact CG2-CE2 4.47Å; V181-Y185 PolarHBondContact O-N 2.96Å; H182-Y185 PolarHBondContact O-N 3.24Å; F183-Y185 VanDerWaalsContact C-N 3.34Å; F183-Y185 PolarHBondContact O-N 3.25Å; Y185-C187 PolarHBondContact O-N 3.09Å; Y185-I188 WeakPolarHBondContact O-CG1 3.33Å; Y185-I188 PolarHBondContact O-N 3.09Å; Y185-S189 WeakPolarHBondContact CE1-OG 3.49Å; Y185-S189 VanDerWaalsContact CZ-OG 3.31Å; Y185-S189 VanDerWaalsContact O-CB 3.27Å; Y185-S189 WeakPolarHBondContact O-CB 3.38Å; Y185-S189 PolarHBondContact O-N 3.12Å; Y185-S189 PolarHBondContact O-OG 2.92Å; Y185-S189 VanDerWaalsContact O-OG 3.09Å; Y185-L191 HydrophobicContact CE1-CD1 4.18Å
186	K	83.1	Confident	81.8	Confident	73 Å²	73	73.6 Å²	73.6	32%	0.317	39%	0.388	S	S	.	.	H	α-helix	trans	-55.4	-40.6	177.2	-168.2	-176.1	-177.2	-164.1	0	111.2	H182 F183 L184 L191 N192 D193	H182-K186 PolarHBondContact O-N 2.9Å; F183-K186 PolarHBondContact O-N 3.48Å; L184-K186 PolarHBondContact O-N 2.81Å; K186-L191 WeakPolarHBondContact CE-O 3.48Å; K186-L191 HydrophobicContact CG-CB 3.91Å; K186-L191 CarbonylContact O-C 3.56Å; K186-L191 WeakPolarHBondContact O-CA 3.25Å; K186-L191 WeakPolarHBondContact O-CB 3.15Å; K186-L191 PolarHBondContact O-N 3Å; K186-N192 HydrophobicContact CG-CB 4.45Å; K186-N192 PolarHBondContact O-N 2.84Å; K186-N192 VanDerWaalsContact O-N 3.12Å; K186-D193 IonicContact NZ-OD1 2.89Å; K186-D193 PolarHBondContact NZ-OD1 2.89Å; K186-D193 IonicContact NZ-OD2 3.98Å
187	C	85.2	Confident	81.5	Confident	4 Å²	4	76.2 Å²	76.2	3%	0.027	40%	0.4	C	S	.	.	H	α-helix	trans	-73.2	-46	-179.4	-66.3	0	0	0	0	113.6	F183 L184 Y185 G190 K196 Q197 A199	F183-C187 VanDerWaalsContact CZ-SG 3.59Å; F183-C187 PolarHBondContact O-N 3.31Å; F183-C187 PolarHBondContact O-SG 2.88Å; L184-C187 PolarHBondContact O-N 3.32Å; L184-C187 VanDerWaalsContact O-N 3.15Å; Y185-C187 PolarHBondContact O-N 3.09Å; C187-G190 PolarHBondContact O-N 3.21Å; C187-K196 VanDerWaalsContact O-O 3.07Å; C187-Q197 WeakPolarHBondContact O-CA 3.19Å; C187-A199 HydrophobicContact CB-CB 3.56Å
188	I	85	Confident	81.1	Confident	97 Å²	97	74.9 Å²	74.9	50%	0.497	41%	0.406	S	S	.	.	H	α-helix	trans	-70.2	-33.7	-178.7	64.9	-176.6	0	0	0	112.1	L184 Y185 G190	L184-I188 HydrophobicContact CD1-CG2 4.04Å; L184-I188 HydrophobicContact CG-CG2 4.37Å; L184-I188 WeakPolarHBondContact O-CG1 3.35Å; L184-I188 WeakPolarHBondContact O-CG2 3.49Å; L184-I188 PolarHBondContact O-N 3.15Å; Y185-I188 WeakPolarHBondContact O-CG1 3.33Å; Y185-I188 PolarHBondContact O-N 3.09Å; I188-G190 PolarHBondContact O-N 3.16Å
189	S	83.2	Confident	81	Confident	43 Å²	43	75 Å²	75	30%	0.301	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-2.5	176.7	-60.5	0	0	0	0	112.9	Y185 L191	Y185-S189 WeakPolarHBondContact CE1-OG 3.49Å; Y185-S189 VanDerWaalsContact CZ-OG 3.31Å; Y185-S189 VanDerWaalsContact O-CB 3.27Å; Y185-S189 WeakPolarHBondContact O-CB 3.38Å; Y185-S189 PolarHBondContact O-N 3.12Å; Y185-S189 PolarHBondContact O-OG 2.92Å; Y185-S189 VanDerWaalsContact O-OG 3.09Å; S189-L191 PolarHBondContact O-N 3.39Å
190	G	80	Confident	80.9	Confident	22 Å²	22	75.7 Å²	75.7	23%	0.227	43%	0.425	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.5	19.8	-178.9	0	0	0	0	0	113.9	C187 I188	C187-G190 PolarHBondContact O-N 3.21Å; I188-G190 PolarHBondContact O-N 3.16Å
191	L	71.2	Confident	80.7	Confident	44 Å²	44	81 Å²	81	23%	0.23	45%	0.447	C	S	.	.			trans	-94.7	-1.5	-177.1	-53	169.8	0	0	0	113.1	W159 Y185 K186 S189	W159-L191 HydrophobicContact CD2-CD1 4Å; W159-L191 HydrophobicContact CG-CD1 4.5Å; W159-L191 HydrophobicContact CH2-CD1 4.06Å; W159-L191 HydrophobicContact CZ2-CD1 3.17Å; W159-L191 HydrophobicContact CZ2-CD2 3.67Å; W159-L191 HydrophobicContact CZ2-CG 3.76Å; Y185-L191 HydrophobicContact CE1-CD1 4.18Å; K186-L191 WeakPolarHBondContact CE-O 3.48Å; K186-L191 HydrophobicContact CG-CB 3.91Å; K186-L191 CarbonylContact O-C 3.56Å; K186-L191 WeakPolarHBondContact O-CA 3.25Å; K186-L191 WeakPolarHBondContact O-CB 3.15Å; K186-L191 PolarHBondContact O-N 3Å; S189-L191 PolarHBondContact O-N 3.39Å
192	N	76.3	Confident	80.2	Confident	23 Å²	23	81.1 Å²	81.1	12%	0.123	46%	0.46	C	S	.	.	S	Bend	trans	-65.5	158.6	170.5	64.7	22.2	0	0	0	109.7	K186 L194 G195 K196	K186-N192 HydrophobicContact CG-CB 4.45Å; K186-N192 PolarHBondContact O-N 2.84Å; K186-N192 VanDerWaalsContact O-N 3.12Å; N192-L194 PolarHBondContact O-N 3.46Å; N192-L194 PolarHBondContact OD1-N 3.01Å; N192-G195 PolarHBondContact O-N 3.44Å; N192-G195 PolarHBondContact OD1-N 3.44Å; N192-G195 VanDerWaalsContact OD1-N 3.16Å; N192-K196 PolarHBondContact ND2-O 3.43Å; N192-K196 PolarHBondContact OD1-N 3.43Å; N192-K196 VanDerWaalsContact OD1-N 3.09Å; N192-K196 PolarHBondContact OD1-O 2.82Å
193	D	69.4	Low	79.6	Confident	147 Å²	147	85.6 Å²	85.6	79%	0.786	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-3.8	-173.1	-45.4	-24.4	0	0	0	112.5	K186	K186-D193 IonicContact NZ-OD1 2.89Å; K186-D193 PolarHBondContact NZ-OD1 2.89Å; K186-D193 IonicContact NZ-OD2 3.98Å
194	L	69.8	Low	78.4	Confident	125 Å²	125	92.1 Å²	92.1	65%	0.654	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.4	-7.7	-179.5	-60.6	175.8	0	0	0	113.3	N192 K196	N192-L194 PolarHBondContact O-N 3.46Å; N192-L194 PolarHBondContact OD1-N 3.01Å; L194-K196 HydrophobicContact CB-CB 4.28Å; L194-K196 HydrophobicContact CB-CD 4.08Å; L194-K196 HydrophobicContact CB-CG 4.04Å; L194-K196 WeakPolarHBondContact O-CG 3.03Å; L194-K196 PolarHBondContact O-N 3.11Å; L194-K196 VanDerWaalsContact O-N 3.15Å
195	G	69.9	Low	76	Confident	60 Å²	60	94.2 Å²	94.2	62%	0.619	53%	0.53	S	S	*	.			trans	58.7	23.1	-174	0	0	0	0	0	113.3	N192	N192-G195 PolarHBondContact O-N 3.44Å; N192-G195 PolarHBondContact OD1-N 3.44Å; N192-G195 VanDerWaalsContact OD1-N 3.16Å
196	K	76.6	Confident	75.4	Confident	134 Å²	134	95.2 Å²	95.2	58%	0.583	54%	0.542	S	S	*	.			trans	-104.8	137.4	-176.3	-69.5	178.6	-173.2	-179.5	0	109.9	C187 N192 L194 G198	C187-K196 VanDerWaalsContact O-O 3.07Å; N192-K196 PolarHBondContact ND2-O 3.43Å; N192-K196 PolarHBondContact OD1-N 3.43Å; N192-K196 VanDerWaalsContact OD1-N 3.09Å; N192-K196 PolarHBondContact OD1-O 2.82Å; L194-K196 HydrophobicContact CB-CB 4.28Å; L194-K196 HydrophobicContact CB-CD 4.08Å; L194-K196 HydrophobicContact CB-CG 4.04Å; L194-K196 WeakPolarHBondContact O-CG 3.03Å; L194-K196 PolarHBondContact O-N 3.11Å; L194-K196 VanDerWaalsContact O-N 3.15Å; K196-G198 PolarHBondContact O-N 2.87Å; K196-G198 VanDerWaalsContact O-N 3.15Å
197	Q	78.8	Confident	75	Confident	167 Å²	167	96.3 Å²	96.3	78%	0.78	55%	0.554	S	S	*	*	S	Bend	trans	-88.6	43.6	-179.3	-65.1	173.4	-13.3	0	0	112.8	C187	C187-Q197 WeakPolarHBondContact O-CA 3.19Å
198	G	80.1	Confident	74.5	Confident	45 Å²	45	101.4 Å²	101.4	46%	0.464	58%	0.583	S	S	.	*			trans	-142.4	145	-175.8	0	0	0	0	0	112.3	K196	K196-G198 PolarHBondContact O-N 2.87Å; K196-G198 VanDerWaalsContact O-N 3.15Å
199	A	83.3	Confident	73.8	Confident	39 Å²	39	101.7 Å²	101.7	32%	0.322	59%	0.588	S	S	.	*			trans	-131.3	141	176.8	0	0	0	0	0	110.1	F183 L184 C187	F183-A199 HydrophobicContact CE1-CB 4.29Å; L184-A199 HydrophobicContact CD1-CB 3.64Å; C187-A199 HydrophobicContact CB-CB 3.56Å
200	V	84.4	Confident	73.3	Confident	136 Å²	136	105.4 Å²	105.4	82%	0.824	61%	0.606	S	S	*	*			trans	-115.6	115	165.3	179.6	0	0	0	0	106.8
201	L	83.7	Confident	72.8	Confident	131 Å²	131	110.9 Å²	110.9	69%	0.686	63%	0.631	S	S	*	*			trans	-94.2	114	177.8	-167.9	71.2	0	0	0	109.3	F183	F183-L201 HydrophobicContact CD1-CD1 4.42Å
202	G	78.8	Confident	72.9	Confident	58 Å²	58	115.7 Å²	115.7	60%	0.598	66%	0.66	S	S	*	*			trans	-113.6	129.3	174.4	0	0	0	0	0	110.7
203	K	72.4	Confident	72.7	Confident	200 Å²	200	122.8 Å²	122.8	87%	0.87	70%	0.701	S	S	*	*			trans	-84.6	113.8	167.5	-170.8	176.9	-178.1	177.2	0	107.8	A205	K203-A205 PolarHBondContact O-N 3.02Å
204	Y	58.4	Low	72.9	Confident	231 Å²	231	120.8 Å²	120.8	91%	0.906	69%	0.694	S	S	*	*			trans	-62.1	126.3	169.4	-70.4	-82.7	0	0	0	108.8
205	A	39	Very low	73.2	Confident	124 Å²	124	120.5 Å²	120.5	100%	1.025	70%	0.698	S	S	*	*			trans	-96.7	0	-179.5	0	0	0	0	0	113	R53 K203	R53-A205 PolarHBondContact NE-OXT 3.07Å; R53-A205 PolarHBondContact NH2-O 3.23Å; R53-A205 PolarHBondContact NH2-OXT 2.61Å; K203-A205 PolarHBondContact O-N 3.02Å

Retrieved 205 of 205 residues in 556.1 ms (Link to these results)

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