A0A077ZIY6_TRITR Loading...

U1 small nuclear ribonucleoprotein 70 kDa

AlphaFold DB , UniProt , Accession A0A077ZIY6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 247 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	67	Low	87.8	Confident	240 Å²	240	110.5 Å²	110.5	100%	1.182	59%	0.585	S	S	*	*				0	-3.3	0	-77.1	-177.2	-177.6	0	0	114.1
2	T	84.7	Confident	88.2	Confident	64 Å²	64	112.2 Å²	112.2	39%	0.393	59%	0.593	S	S	.	*			trans	-99.9	-4.8	180	49.2	0	0	0	0	114.6	Y4 L5 L10 F13	T2-Y4 VanDerWaalsContact C-N 3.31Å; T2-Y4 PolarHBondContact O-N 3.1Å; T2-L5 HydrophobicContact CG2-CD1 4.15Å; T2-L5 PolarHBondContact O-N 2.94Å; T2-L10 WeakPolarHBondContact O-CD2 3.47Å; T2-F13 HydrophobicContact CG2-CD1 4.29Å; T2-F13 HydrophobicContact CG2-CD2 4.03Å; T2-F13 HydrophobicContact CG2-CE1 4.03Å; T2-F13 HydrophobicContact CG2-CE2 3.76Å; T2-F13 HydrophobicContact CG2-CG 4.28Å; T2-F13 HydrophobicContact CG2-CZ 3.76Å
3	Q	83.5	Confident	88.6	Confident	146 Å²	146	113.1 Å²	113.1	68%	0.682	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.1	-25.4	-165.6	-174.9	173.2	-8.4	0	0	115.4
4	Y	89.6	Confident	88.8	Confident	205 Å²	205	110.1 Å²	110.1	80%	0.804	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.8	25.7	-175.3	-59.7	-73.8	0	0	0	113.1	T2	T2-Y4 VanDerWaalsContact C-N 3.31Å; T2-Y4 PolarHBondContact O-N 3.1Å
5	L	89.9	Confident	89.3	Confident	56 Å²	56	110.8 Å²	110.8	29%	0.293	60%	0.602	S	S	.	*			trans	-74.4	149.8	175.6	-71.6	171.5	0	0	0	110.9	T2 L9 L10 F13	T2-L5 HydrophobicContact CG2-CD1 4.15Å; T2-L5 PolarHBondContact O-N 2.94Å; L5-L9 HydrophobicContact CB-CB 4.04Å; L5-L9 HydrophobicContact CD1-CB 4.35Å; L5-L9 HydrophobicContact CD2-CD1 4.08Å; L5-L10 HydrophobicContact CB-CG 4.14Å; L5-L10 WeakPolarHBondContact O-CD1 3.49Å; L5-L10 WeakPolarHBondContact O-CG 3.5Å; L5-F13 HydrophobicContact CD1-CD2 4.49Å; L5-F13 HydrophobicContact CD1-CE2 3.82Å
6	P	91.7	Very high	89.6	Confident	67 Å²	67	118.7 Å²	118.7	44%	0.435	62%	0.621	S	S	.	*			trans	-60.2	152.6	174	20.2	-28.7	0	0	0	111.6	N8 L9 L10	P6-N8 VanDerWaalsContact CB-OD1 3.28Å; P6-N8 WeakPolarHBondContact CB-OD1 3.21Å; P6-N8 WeakPolarHBondContact CG-OD1 3.41Å; P6-N8 PolarHBondContact O-N 2.85Å; P6-N8 PolarHBondContact O-OD1 3.33Å; P6-L9 HydrophobicContact CG-CD1 4.1Å; P6-L9 HydrophobicContact CG-CG 4.41Å; P6-L9 PolarHBondContact O-N 3.46Å; P6-L10 PolarHBondContact O-N 2.72Å
7	P	92.3	Very high	90	Very high	105 Å²	105	120.4 Å²	120.4	68%	0.682	63%	0.63	S	S	*	*	H	α-helix	trans	-55.1	-32.5	-168.9	-27.6	34.3	0	0	0	114.8	L9 L10 A11	P7-L9 VanDerWaalsContact C-N 3.32Å; P7-L9 PolarHBondContact O-N 3.06Å; P7-L10 PolarHBondContact O-N 3.05Å; P7-A11 PolarHBondContact O-N 2.7Å; P7-A11 VanDerWaalsContact O-N 3.12Å
8	N	92.7	Very high	90.4	Very high	117 Å²	117	120.3 Å²	120.3	63%	0.626	64%	0.638	S	S	*	*	H	α-helix	trans	-61.9	-35.5	175.4	61.6	-22.4	0	0	0	113.2	P6	P6-N8 VanDerWaalsContact CB-OD1 3.28Å; P6-N8 WeakPolarHBondContact CB-OD1 3.21Å; P6-N8 WeakPolarHBondContact CG-OD1 3.41Å; P6-N8 PolarHBondContact O-N 2.85Å; P6-N8 PolarHBondContact O-OD1 3.33Å
9	L	91.7	Very high	90.7	Very high	71 Å²	71	122.3 Å²	122.3	37%	0.372	65%	0.647	S	S	.	*	H	α-helix	trans	-87.8	-33.3	176.9	-67.4	-178.9	0	0	0	112	L5 P6 P7 A11 L12 F13	L5-L9 HydrophobicContact CB-CB 4.04Å; L5-L9 HydrophobicContact CD1-CB 4.35Å; L5-L9 HydrophobicContact CD2-CD1 4.08Å; P6-L9 HydrophobicContact CG-CD1 4.1Å; P6-L9 HydrophobicContact CG-CG 4.41Å; P6-L9 PolarHBondContact O-N 3.46Å; P7-L9 VanDerWaalsContact C-N 3.32Å; P7-L9 PolarHBondContact O-N 3.06Å; L9-A11 PolarHBondContact O-N 3.32Å; L9-L12 HydrophobicContact CD2-CD1 4.03Å; L9-L12 WeakPolarHBondContact O-CB 3.46Å; L9-L12 PolarHBondContact O-N 3.47Å; L9-F13 WeakPolarHBondContact O-CD2 3.44Å
10	L	91.8	Very high	90.9	Very high	76 Å²	76	121.7 Å²	121.7	40%	0.398	65%	0.651	S	S	.	*	H	α-helix	trans	-59.8	-36.2	174	-85.8	171.5	0	0	0	112.2	T2 L5 P6 P7 L12 F13	T2-L10 WeakPolarHBondContact O-CD2 3.47Å; L5-L10 HydrophobicContact CB-CG 4.14Å; L5-L10 WeakPolarHBondContact O-CD1 3.49Å; L5-L10 WeakPolarHBondContact O-CG 3.5Å; P6-L10 PolarHBondContact O-N 2.72Å; P7-L10 PolarHBondContact O-N 3.05Å; L10-L12 PolarHBondContact O-N 3.04Å; L10-F13 PolarHBondContact O-N 3.37Å; L10-F13 VanDerWaalsContact O-N 3.07Å
11	A	90.8	Very high	91.2	Very high	69 Å²	69	124.8 Å²	124.8	57%	0.57	65%	0.654	S	S	*	*	G	3₁₀ helix	trans	-60	-25.1	178.1	0	0	0	0	0	113.9	P7 L9 F13 A14	P7-A11 PolarHBondContact O-N 2.7Å; P7-A11 VanDerWaalsContact O-N 3.12Å; L9-A11 PolarHBondContact O-N 3.32Å; A11-F13 PolarHBondContact O-N 2.49Å; A11-A14 PolarHBondContact O-N 3.07Å
12	L	93.2	Very high	92.5	Very high	130 Å²	130	120.2 Å²	120.2	68%	0.681	63%	0.634	S	S	*	*	G	3₁₀ helix	trans	-69.6	-21.7	177.5	-60.2	176.1	0	0	0	113	L9 L10	L9-L12 HydrophobicContact CD2-CD1 4.03Å; L9-L12 WeakPolarHBondContact O-CB 3.46Å; L9-L12 PolarHBondContact O-N 3.47Å; L10-L12 PolarHBondContact O-N 3.04Å
13	F	93.5	Very high	93	Very high	124 Å²	124	121.4 Å²	121.4	54%	0.544	64%	0.643	S	S	.	*	G	3₁₀ helix	trans	-102.3	20.7	-178.4	-58	-76.5	0	0	0	112.5	T2 L5 L9 L10 A11	T2-F13 HydrophobicContact CG2-CD1 4.29Å; T2-F13 HydrophobicContact CG2-CD2 4.03Å; T2-F13 HydrophobicContact CG2-CE1 4.03Å; T2-F13 HydrophobicContact CG2-CE2 3.76Å; T2-F13 HydrophobicContact CG2-CG 4.28Å; T2-F13 HydrophobicContact CG2-CZ 3.76Å; L5-F13 HydrophobicContact CD1-CD2 4.49Å; L5-F13 HydrophobicContact CD1-CE2 3.82Å; L9-F13 WeakPolarHBondContact O-CD2 3.44Å; L10-F13 PolarHBondContact O-N 3.37Å; L10-F13 VanDerWaalsContact O-N 3.07Å; A11-F13 PolarHBondContact O-N 2.49Å
14	A	91.4	Very high	93.4	Very high	71 Å²	71	118.9 Å²	118.9	59%	0.587	64%	0.639	S	S	*	*	P	Polyproline II helix	trans	-57.5	130.8	169.9	0	0	0	0	0	109.4	A11	A11-A14 PolarHBondContact O-N 3.07Å
15	P	95	Very high	93.5	Very high	121 Å²	121	115.6 Å²	115.6	79%	0.786	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-62.2	149.5	177.7	28.1	-34.3	0	0	0	109.7
16	R	95.5	Very high	93.6	Very high	237 Å²	237	118 Å²	118	89%	0.894	66%	0.656	S	S	*	*	P	Polyproline II helix	trans	-66.5	161.8	165.3	-65.2	-178.8	179.8	-179.7	-1	109.3
17	D	96	Very high	93.6	Very high	147 Å²	147	121.4 Å²	121.4	79%	0.786	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-50.7	142.4	168.4	-65.2	-30.9	0	0	0	110.5	I19	D17-I19 PolarHBondContact O-N 3.38Å
18	P	96.7	Very high	93.4	Very high	119 Å²	119	122 Å²	122	77%	0.773	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-57.7	135.2	-178.9	24.3	-33.7	0	0	0	110.3
19	I	95.5	Very high	93.3	Very high	159 Å²	159	121.3 Å²	121.3	82%	0.815	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-63.2	131.6	-178.1	-55.3	171.7	0	0	0	108.6	D17 Y21	D17-I19 PolarHBondContact O-N 3.38Å; I19-Y21 PolarHBondContact O-N 2.72Å
20	P	95.5	Very high	93.1	Very high	109 Å²	109	123.1 Å²	123.1	71%	0.708	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-54.9	130.5	173	-25.2	34	0	0	0	110.9	L22	P20-L22 PolarHBondContact O-N 3.31Å
21	Y	96.4	Very high	93	Very high	187 Å²	187	124.6 Å²	124.6	73%	0.733	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-63.8	128.3	178.5	171.1	-97.6	0	0	0	110.6	I19 P23	I19-Y21 PolarHBondContact O-N 2.72Å; Y21-P23 HydrophobicContact CE1-CB 4.45Å
22	L	95.3	Very high	92.9	Very high	144 Å²	144	125 Å²	125	75%	0.754	67%	0.673	S	S	*	*			trans	-121.7	137.6	164.4	-65.3	176.7	0	0	0	108.2	P20	P20-L22 PolarHBondContact O-N 3.31Å
23	P	94.4	Very high	92.6	Very high	90 Å²	90	128.9 Å²	128.9	58%	0.584	69%	0.685	S	S	*	*			trans	-61.6	145.4	175.7	27.1	-33.9	0	0	0	110.2	Y21	Y21-P23 HydrophobicContact CE1-CB 4.45Å
24	P	93.3	Very high	92.2	Very high	93 Å²	93	131.1 Å²	131.1	60%	0.604	69%	0.689	S	S	*	*			trans	-55	136.6	173.7	-24.3	33.4	0	0	0	110.8	D26	P24-D26 PolarHBondContact O-N 3.36Å
25	P	92.2	Very high	91.9	Very high	136 Å²	136	134 Å²	134	88%	0.883	70%	0.7	S	S	*	*	S	Bend	trans	-65.9	-27.5	-179.8	26.7	-34.5	0	0	0	112.1
26	D	91.6	Very high	91.6	Very high	105 Å²	105	133.4 Å²	133.4	56%	0.561	70%	0.696	S	S	*	*	S	Bend	trans	-96.2	139.6	-178.9	-92.2	13.4	0	0	0	111.7	P24 K32	P24-D26 PolarHBondContact O-N 3.36Å; D26-K32 IonicContact OD2-NZ 2.72Å; D26-K32 PolarHBondContact OD2-NZ 3.37Å
27	K	90.4	Very high	91.4	Very high	140 Å²	140	132.8 Å²	132.8	61%	0.609	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-62.4	153.1	167.7	-61.2	-176.6	-179.8	-177.6	0	111.3	E31 K32	K27-E31 HydrophobicContact CB-CB 4.01Å; K27-K32 HydrophobicContact CB-CG 4.23Å; K27-K32 WeakPolarHBondContact O-CE 3.47Å
28	L	89.7	Confident	91.2	Very high	116 Å²	116	135.4 Å²	135.4	61%	0.607	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-60.3	153.1	173.2	-67.9	171.8	0	0	0	110.9	S30 E31 K32	L28-S30 PolarHBondContact O-N 3.49Å; L28-S30 VanDerWaalsContact O-N 3.11Å; L28-E31 HydrophobicContact CB-CG 4.42Å; L28-E31 CarbonylContact O-C 3.59Å; L28-E31 WeakPolarHBondContact O-CA 3.19Å; L28-E31 PolarHBondContact O-N 2.69Å; L28-K32 WeakPolarHBondContact O-CG 3.41Å; L28-K32 PolarHBondContact O-N 3.41Å
29	V	89.3	Confident	91	Very high	104 Å²	104	132.4 Å²	132.4	63%	0.63	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.6	-33.9	-176.7	178.3	0	0	0	0	112.5	E31	V29-E31 VanDerWaalsContact C-N 3.33Å
30	S	88.9	Confident	90.9	Very high	108 Å²	108	131.3 Å²	131.3	76%	0.755	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.4	-30.6	174.7	47.5	0	0	0	0	113.7	L28	L28-S30 PolarHBondContact O-N 3.49Å; L28-S30 VanDerWaalsContact O-N 3.11Å
31	E	89.4	Confident	90.8	Very high	108 Å²	108	129.7 Å²	129.7	51%	0.505	68%	0.676	S	S	.	*	T	Hydrogen-bonded Turn	trans	-94.4	-16	-178	-65.1	170.5	-171.3	0	0	112.6	K27 L28 V29 K33	K27-E31 HydrophobicContact CB-CB 4.01Å; L28-E31 HydrophobicContact CB-CG 4.42Å; L28-E31 CarbonylContact O-C 3.59Å; L28-E31 WeakPolarHBondContact O-CA 3.19Å; L28-E31 PolarHBondContact O-N 2.69Å; V29-E31 VanDerWaalsContact C-N 3.33Å; E31-K33 PolarHBondContact O-N 3.26Å
32	K	88.8	Confident	90.7	Very high	78 Å²	78	125.5 Å²	125.5	34%	0.339	66%	0.663	S	S	.	*			trans	-64.6	105.6	175.8	-74	-172.9	-177.4	-161.9	0	109	D26 K27 L28 R34	D26-K32 IonicContact OD2-NZ 2.72Å; D26-K32 PolarHBondContact OD2-NZ 3.37Å; K27-K32 HydrophobicContact CB-CG 4.23Å; K27-K32 WeakPolarHBondContact O-CE 3.47Å; L28-K32 WeakPolarHBondContact O-CG 3.41Å; L28-K32 PolarHBondContact O-N 3.41Å; K32-R34 PolarHBondContact O-N 2.95Å
33	K	85.6	Confident	90.6	Very high	211 Å²	211	123.6 Å²	123.6	92%	0.917	65%	0.646	S	S	*	*			trans	-64.6	93.2	168.1	-68.6	-173.6	179.2	-177.1	0	109.3	E31	E31-K33 PolarHBondContact O-N 3.26Å
34	R	84.5	Confident	90.3	Very high	170 Å²	170	125.1 Å²	125.1	64%	0.642	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-82.8	153.2	172.7	-66.5	-177.7	171.9	-162	-3.2	109.9	K32	K32-R34 PolarHBondContact O-N 2.95Å
35	T	86.8	Confident	90.1	Very high	132 Å²	132	125.5 Å²	125.5	81%	0.81	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-57.6	124.9	164.1	47	0	0	0	0	108.4
36	P	88.5	Confident	90	Very high	108 Å²	108	127.6 Å²	127.6	70%	0.701	65%	0.645	S	S	*	*	P	Polyproline II helix	trans	-62.5	144.2	-179.6	26.5	-33.8	0	0	0	109.7	R38	P36-R38 PolarHBondContact O-N 3.39Å
37	Y	91.6	Very high	89.8	Confident	224 Å²	224	129.6 Å²	129.6	88%	0.878	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-56.8	131.7	172	-64.4	-64.6	0	0	0	109.4
38	R	90.4	Very high	89.5	Confident	202 Å²	202	130 Å²	130	76%	0.762	65%	0.653	S	S	*	*	P	Polyproline II helix	trans	-100	149	173.3	-63.9	-173.4	178.6	-167	0.6	109.1	P36	P36-R38 PolarHBondContact O-N 3.39Å
39	G	92.7	Very high	89.3	Confident	57 Å²	57	129.4 Å²	129.4	59%	0.588	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-68.8	162.6	172.6	0	0	0	0	0	112.1	A41	G39-A41 VanDerWaalsContact C-N 3.29Å
40	L	93.7	Very high	89	Confident	136 Å²	136	129.9 Å²	129.9	71%	0.712	66%	0.656	S	S	*	*	S	Bend	trans	-85	0.4	176.5	-62	176.6	0	0	0	113.5	Q42 Y43	L40-Q42 PolarHBondContact O-N 3.2Å; L40-Q42 VanDerWaalsContact O-N 3.15Å; L40-Y43 HydrophobicContact CB-CD2 4.46Å; L40-Y43 HydrophobicContact CD2-CD2 3.94Å; L40-Y43 HydrophobicContact CD2-CE2 4.23Å; L40-Y43 WeakPolarHBondContact O-CB 3.37Å; L40-Y43 PolarHBondContact O-N 3.33Å
41	A	94.1	Very high	88.8	Confident	74 Å²	74	133.8 Å²	133.8	61%	0.612	66%	0.659	S	S	*	*	G	3₁₀ helix	trans	-55.5	-35.7	-174.3	0	0	0	0	0	113.3	G39 Y43 L44	G39-A41 VanDerWaalsContact C-N 3.29Å; A41-Y43 PolarHBondContact O-N 3.15Å; A41-Y43 VanDerWaalsContact O-N 3.16Å; A41-L44 PolarHBondContact O-N 3.35Å
42	Q	92.6	Very high	88.6	Confident	100 Å²	100	134.1 Å²	134.1	47%	0.467	67%	0.665	S	S	.	*	G	3₁₀ helix	trans	-64.7	-15.4	177.4	67	-175.4	15.6	0	0	114.3	L40	L40-Q42 PolarHBondContact O-N 3.2Å; L40-Q42 VanDerWaalsContact O-N 3.15Å
43	Y	93.5	Very high	88.3	Confident	104 Å²	104	137.8 Å²	137.8	41%	0.408	68%	0.681	S	S	.	*	G	3₁₀ helix	trans	-105.3	-1.3	-178.2	-55	-62.5	0	0	0	113.1	L40 A41 S45 Y46	L40-Y43 HydrophobicContact CB-CD2 4.46Å; L40-Y43 HydrophobicContact CD2-CD2 3.94Å; L40-Y43 HydrophobicContact CD2-CE2 4.23Å; L40-Y43 WeakPolarHBondContact O-CB 3.37Å; L40-Y43 PolarHBondContact O-N 3.33Å; A41-Y43 PolarHBondContact O-N 3.15Å; A41-Y43 VanDerWaalsContact O-N 3.16Å; Y43-S45 PolarHBondContact O-N 3.15Å; Y43-Y46 AromaticContact CD1-CD2 3.75Å; Y43-Y46 HydrophobicContact CD1-CD2 3.75Å; Y43-Y46 AromaticContact CD1-CE2 3.51Å; Y43-Y46 HydrophobicContact CD1-CE2 3.51Å; Y43-Y46 HydrophobicContact CE1-CE2 4.14Å; Y43-Y46 HydrophobicContact CG-CD2 4.44Å; Y43-Y46 WeakPolarHBondContact O-CB 3.24Å; Y43-Y46 PolarHBondContact O-N 2.62Å
44	L	89.6	Confident	88.3	Confident	121 Å²	121	131.8 Å²	131.8	63%	0.634	66%	0.663	S	S	*	*	G	3₁₀ helix	trans	-60.8	-28.8	-179	-78.6	168.6	0	0	0	112.4	A41 Y46 F47	A41-L44 PolarHBondContact O-N 3.35Å; L44-Y46 PolarHBondContact O-N 3.47Å; L44-F47 HydrophobicContact CD2-CD2 4.45Å; L44-F47 HydrophobicContact CD2-CE2 4.47Å
45	S	89	Confident	88.4	Confident	101 Å²	101	129 Å²	129	71%	0.706	67%	0.667	S	S	*	*	G	3₁₀ helix	trans	-72.2	-10.8	175.9	53.4	0	0	0	0	114.5	Y43	Y43-S45 PolarHBondContact O-N 3.15Å
46	Y	89.8	Confident	88.4	Confident	180 Å²	180	128.3 Å²	128.3	71%	0.706	67%	0.665	S	S	*	*	G	3₁₀ helix	trans	-89.6	-11.7	178.9	-62.5	-21.6	0	0	0	113.5	Y43 L44	Y43-Y46 AromaticContact CD1-CD2 3.75Å; Y43-Y46 HydrophobicContact CD1-CD2 3.75Å; Y43-Y46 AromaticContact CD1-CE2 3.51Å; Y43-Y46 HydrophobicContact CD1-CE2 3.51Å; Y43-Y46 HydrophobicContact CE1-CE2 4.14Å; Y43-Y46 HydrophobicContact CG-CD2 4.44Å; Y43-Y46 WeakPolarHBondContact O-CB 3.24Å; Y43-Y46 PolarHBondContact O-N 2.62Å; L44-Y46 PolarHBondContact O-N 3.47Å
47	F	87.3	Confident	88.3	Confident	148 Å²	148	129.4 Å²	129.4	65%	0.649	67%	0.669	S	S	*	*	S	Bend	trans	-77	133.6	174.5	-65	-76.7	0	0	0	109.2	L44 D49	L44-F47 HydrophobicContact CD2-CD2 4.45Å; L44-F47 HydrophobicContact CD2-CE2 4.47Å; F47-D49 PolarHBondContact O-N 2.87Å
48	E	83.9	Confident	88.1	Confident	147 Å²	147	128.6 Å²	128.6	69%	0.687	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-54.9	135.9	172	-72.3	172.4	178.9	0	0	109.8
49	D	85.1	Confident	87.9	Confident	104 Å²	104	124.6 Å²	124.6	56%	0.556	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-58.4	139	173.2	-85.8	-33.2	0	0	0	109	F47 K51 D52	F47-D49 PolarHBondContact O-N 2.87Å; D49-K51 PolarHBondContact O-N 3.38Å; D49-D52 PolarHBondContact O-N 3.01Å
50	P	82.7	Confident	87.5	Confident	114 Å²	114	126.7 Å²	126.7	74%	0.74	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.8	-14.4	-178.3	23.5	-34	0	0	0	113.4
51	K	84.5	Confident	87.4	Confident	190 Å²	190	123.4 Å²	123.4	83%	0.826	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.8	-31.3	174.3	-60.5	176.3	-175.9	173.5	0	112.8	D49 K53	D49-K51 PolarHBondContact O-N 3.38Å; K51-K53 VanDerWaalsContact C-N 3.35Å
52	D	84.8	Confident	87	Confident	116 Å²	116	128.2 Å²	128.2	62%	0.62	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.7	-1.5	-178.1	-64.9	-25.4	0	0	0	112.5	D49 P54	D49-D52 PolarHBondContact O-N 3.01Å; D52-P54 WeakPolarHBondContact O-CD 3.42Å; D52-P54 VanDerWaalsContact O-N 3.16Å
53	K	83.3	Confident	86.5	Confident	154 Å²	154	126.5 Å²	126.5	67%	0.67	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-58.2	119.8	178.9	-175.6	176.5	-179.8	176.2	0	109.9	K51	K51-K53 VanDerWaalsContact C-N 3.35Å
54	P	86.5	Confident	86.4	Confident	85 Å²	85	126.2 Å²	126.2	55%	0.552	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-61.1	147.2	176.8	25.1	-33.4	0	0	0	109.8	D52	D52-P54 WeakPolarHBondContact O-CD 3.42Å; D52-P54 VanDerWaalsContact O-N 3.16Å
55	P	86.2	Confident	86.1	Confident	112 Å²	112	128.7 Å²	128.7	73%	0.727	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-56.4	144.8	175	25.5	-33.9	0	0	0	109.6	V57	P55-V57 PolarHBondContact O-N 3.31Å
56	P	85.7	Confident	85.9	Confident	117 Å²	117	128.3 Å²	128.3	76%	0.76	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-57.2	135.4	179.5	24.2	-33.3	0	0	0	110.2	K58	P56-K58 PolarHBondContact O-N 3.37Å; P56-K58 VanDerWaalsContact O-N 3.1Å
57	V	87.9	Confident	85.8	Confident	131 Å²	131	125.8 Å²	125.8	79%	0.794	64%	0.642	S	S	*	*	P	Polyproline II helix	trans	-59.2	117.3	177.9	-179.1	0	0	0	0	108.6	P55 V59	P55-V57 PolarHBondContact O-N 3.31Å; V57-V59 PolarHBondContact O-N 2.96Å
58	K	85.9	Confident	85.9	Confident	207 Å²	207	125.2 Å²	125.2	90%	0.9	64%	0.635	S	S	*	*			trans	-68.7	101.4	175.5	-66.1	-177.9	-179	178.5	0	108.7	P56	P56-K58 PolarHBondContact O-N 3.37Å; P56-K58 VanDerWaalsContact O-N 3.1Å
59	V	87.2	Confident	86.1	Confident	119 Å²	119	124.2 Å²	124.2	72%	0.721	63%	0.629	S	S	*	*	P	Polyproline II helix	trans	-84.4	133.6	171.1	-179.3	0	0	0	0	108.4	V57 T61	V57-V59 PolarHBondContact O-N 2.96Å; V59-T61 PolarHBondContact O-N 3.5Å
60	E	84.9	Confident	86.2	Confident	101 Å²	101	123 Å²	123	47%	0.472	63%	0.625	S	S	.	*	P	Polyproline II helix	trans	-54.8	124.3	176.1	-70.9	-176.1	-175	0	0	110.5	E64 R68	E60-E64 WeakPolarHBondContact CA-OE2 3.48Å; E60-R68 IonicContact OE1-CZ 3.88Å; E60-R68 IonicContact OE1-NH1 2.64Å; E60-R68 PolarHBondContact OE1-NH1 3.24Å; E60-R68 IonicContact OE1-NH2 2.75Å; E60-R68 IonicContact OE2-CZ 3.15Å; E60-R68 VanDerWaalsContact OE2-CZ 3.22Å; E60-R68 IonicContact OE2-NH1 2.83Å; E60-R68 PolarHBondContact OE2-NH1 3.46Å; E60-R68 IonicContact OE2-NH2 3.13Å; E60-R68 PolarHBondContact OE2-NH2 3.07Å
61	T	89.9	Confident	86.6	Confident	66 Å²	66	121.2 Å²	121.2	41%	0.405	62%	0.615	S	S	.	*	P	Polyproline II helix	trans	-69	157.9	172	60.3	0	0	0	0	110.4	V59 S63 E64 R65	V59-T61 PolarHBondContact O-N 3.5Å; T61-S63 PolarHBondContact O-N 3.47Å; T61-S63 PolarHBondContact OG1-OG 3.23Å; T61-E64 PolarHBondContact N-OE2 2.81Å; T61-E64 PolarHBondContact O-N 3.26Å; T61-E64 VanDerWaalsContact OG1-CD 3.23Å; T61-E64 VanDerWaalsContact OG1-CG 3.24Å; T61-E64 WeakPolarHBondContact OG1-CG 3.49Å; T61-E64 PolarHBondContact OG1-N 3.07Å; T61-E64 PolarHBondContact OG1-OE2 3.46Å; T61-R65 PolarHBondContact O-N 2.75Å; T61-R65 VanDerWaalsContact O-N 3.1Å
62	K	85.7	Confident	86.9	Confident	175 Å²	175	119 Å²	119	76%	0.761	60%	0.601	S	S	*	*	H	α-helix	trans	-57.4	-35	175	-175.3	179.6	176.7	-177.6	0	111.9	I66	K62-I66 HydrophobicContact CG-CD1 4.11Å; K62-I66 WeakPolarHBondContact O-CD1 3.26Å; K62-I66 VanDerWaalsContact O-CG1 3.25Å; K62-I66 WeakPolarHBondContact O-CG1 3.43Å; K62-I66 PolarHBondContact O-N 3.13Å; K62-I66 VanDerWaalsContact O-N 3.13Å
63	S	84	Confident	87.1	Confident	64 Å²	64	117.1 Å²	117.1	45%	0.448	59%	0.591	S	S	.	*	H	α-helix	trans	-62.5	-52.3	175.9	32.1	0	0	0	0	111.9	T61 R65 I66 E67	T61-S63 PolarHBondContact O-N 3.47Å; T61-S63 PolarHBondContact OG1-OG 3.23Å; S63-R65 VanDerWaalsContact C-N 3.29Å; S63-R65 PolarHBondContact O-N 3.38Å; S63-I66 WeakPolarHBondContact O-CA 3.45Å; S63-I66 WeakPolarHBondContact O-CB 3.45Å; S63-I66 PolarHBondContact O-N 3.49Å; S63-E67 WeakPolarHBondContact O-CG 2.98Å; S63-E67 PolarHBondContact O-N 3.12Å
64	E	90.2	Very high	87.4	Confident	98 Å²	98	113.1 Å²	113.1	46%	0.458	58%	0.579	S	S	.	*	H	α-helix	trans	-60.6	-39.4	179.5	-71.5	163.2	154.3	0	0	111.7	E60 T61 I66 E67 R68	E60-E64 WeakPolarHBondContact CA-OE2 3.48Å; T61-E64 PolarHBondContact N-OE2 2.81Å; T61-E64 PolarHBondContact O-N 3.26Å; T61-E64 VanDerWaalsContact OG1-CD 3.23Å; T61-E64 VanDerWaalsContact OG1-CG 3.24Å; T61-E64 WeakPolarHBondContact OG1-CG 3.49Å; T61-E64 PolarHBondContact OG1-N 3.07Å; T61-E64 PolarHBondContact OG1-OE2 3.46Å; E64-I66 VanDerWaalsContact C-N 3.33Å; E64-I66 PolarHBondContact O-N 3.39Å; E64-E67 PolarHBondContact O-N 3.45Å; E64-R68 WeakPolarHBondContact O-CB 3.43Å; E64-R68 PolarHBondContact O-N 3.33Å
65	R	83.9	Confident	87.7	Confident	173 Å²	173	111.9 Å²	111.9	65%	0.653	57%	0.572	S	S	*	*	H	α-helix	trans	-61.7	-40.5	174.7	-177.8	177.6	176.3	175.2	1	112.2	T61 S63 K69	T61-R65 PolarHBondContact O-N 2.75Å; T61-R65 VanDerWaalsContact O-N 3.1Å; S63-R65 VanDerWaalsContact C-N 3.29Å; S63-R65 PolarHBondContact O-N 3.38Å; R65-K69 PolarHBondContact O-N 3.24Å; R65-K69 VanDerWaalsContact O-N 3.16Å
66	I	84.1	Confident	87.9	Confident	93 Å²	93	110.8 Å²	110.8	48%	0.477	56%	0.558	S	S	.	*	H	α-helix	trans	-67.1	-46.6	176.6	-70	165.5	0	0	0	109.7	K62 S63 E64 R68 K69 V70	K62-I66 HydrophobicContact CG-CD1 4.11Å; K62-I66 WeakPolarHBondContact O-CD1 3.26Å; K62-I66 VanDerWaalsContact O-CG1 3.25Å; K62-I66 WeakPolarHBondContact O-CG1 3.43Å; K62-I66 PolarHBondContact O-N 3.13Å; K62-I66 VanDerWaalsContact O-N 3.13Å; S63-I66 WeakPolarHBondContact O-CA 3.45Å; S63-I66 WeakPolarHBondContact O-CB 3.45Å; S63-I66 PolarHBondContact O-N 3.49Å; E64-I66 VanDerWaalsContact C-N 3.33Å; E64-I66 PolarHBondContact O-N 3.39Å; I66-R68 PolarHBondContact O-N 3.19Å; I66-K69 WeakPolarHBondContact O-CB 3.25Å; I66-K69 PolarHBondContact O-N 3.41Å; I66-K69 VanDerWaalsContact O-N 3.1Å; I66-V70 HydrophobicContact CG2-CG2 4.28Å; I66-V70 WeakPolarHBondContact O-CG2 3.29Å; I66-V70 PolarHBondContact O-N 2.84Å
67	E	88.1	Confident	88.2	Confident	128 Å²	128	108.1 Å²	108.1	60%	0.598	54%	0.537	S	S	*	.	H	α-helix	trans	-59	-45.7	178.3	-73.9	173.2	-164.8	0	0	112.1	S63 E64 K69 V70 S71	S63-E67 WeakPolarHBondContact O-CG 2.98Å; S63-E67 PolarHBondContact O-N 3.12Å; E64-E67 PolarHBondContact O-N 3.45Å; E67-K69 VanDerWaalsContact C-N 3.3Å; E67-K69 PolarHBondContact O-N 3.5Å; E67-V70 PolarHBondContact O-N 3.08Å; E67-S71 WeakPolarHBondContact O-CB 3.35Å; E67-S71 PolarHBondContact O-N 3.43Å
68	R	88.8	Confident	88.3	Confident	135 Å²	135	106.6 Å²	106.6	51%	0.509	53%	0.527	S	S	.	.	H	α-helix	trans	-57.8	-42.9	173.6	-177.9	177.5	62.5	-170.9	-10.4	111.9	E60 E64 I66 R72	E60-R68 IonicContact OE1-CZ 3.88Å; E60-R68 IonicContact OE1-NH1 2.64Å; E60-R68 PolarHBondContact OE1-NH1 3.24Å; E60-R68 IonicContact OE1-NH2 2.75Å; E60-R68 IonicContact OE2-CZ 3.15Å; E60-R68 VanDerWaalsContact OE2-CZ 3.22Å; E60-R68 IonicContact OE2-NH1 2.83Å; E60-R68 PolarHBondContact OE2-NH1 3.46Å; E60-R68 IonicContact OE2-NH2 3.13Å; E60-R68 PolarHBondContact OE2-NH2 3.07Å; E64-R68 WeakPolarHBondContact O-CB 3.43Å; E64-R68 PolarHBondContact O-N 3.33Å; I66-R68 PolarHBondContact O-N 3.19Å; R68-R72 WeakPolarHBondContact O-CB 3.36Å; R68-R72 PolarHBondContact O-N 3.14Å
69	K	89.3	Confident	88.6	Confident	127 Å²	127	102 Å²	102	55%	0.552	51%	0.511	S	S	*	.	H	α-helix	trans	-65.2	-42.4	177.6	-174.7	178.7	178.6	-179.3	0	111.2	R65 I66 E67 R72 L73	R65-K69 PolarHBondContact O-N 3.24Å; R65-K69 VanDerWaalsContact O-N 3.16Å; I66-K69 WeakPolarHBondContact O-CB 3.25Å; I66-K69 PolarHBondContact O-N 3.41Å; I66-K69 VanDerWaalsContact O-N 3.1Å; E67-K69 VanDerWaalsContact C-N 3.3Å; E67-K69 PolarHBondContact O-N 3.5Å; K69-R72 PolarHBondContact O-N 3.37Å; K69-L73 HydrophobicContact CG-CD1 4.16Å; K69-L73 VanDerWaalsContact O-CG 3.26Å; K69-L73 WeakPolarHBondContact O-CG 3.04Å; K69-L73 PolarHBondContact O-N 3.16Å
70	V	86.8	Confident	88.8	Confident	79 Å²	79	100.4 Å²	100.4	48%	0.479	50%	0.496	S	S	.	.	H	α-helix	trans	-63.2	-50.4	176.7	172.3	0	0	0	0	110.1	I66 E67 R72 L73 T74	I66-V70 HydrophobicContact CG2-CG2 4.28Å; I66-V70 WeakPolarHBondContact O-CG2 3.29Å; I66-V70 PolarHBondContact O-N 2.84Å; E67-V70 PolarHBondContact O-N 3.08Å; V70-R72 VanDerWaalsContact C-N 3.3Å; V70-R72 PolarHBondContact O-N 2.94Å; V70-L73 CarbonylContact O-C 3.52Å; V70-L73 PolarHBondContact O-N 2.75Å; V70-T74 HydrophobicContact CG1-CG2 4.12Å; V70-T74 WeakPolarHBondContact O-CG2 3.35Å; V70-T74 PolarHBondContact O-N 3.23Å; V70-T74 PolarHBondContact O-OG1 2.94Å
71	S	90.2	Very high	89	Confident	75 Å²	75	98 Å²	98	52%	0.524	49%	0.487	S	S	.	.	H	α-helix	trans	-56.8	-39.6	177	-179.8	0	0	0	0	113.1	E67 T74 S75	E67-S71 WeakPolarHBondContact O-CB 3.35Å; E67-S71 PolarHBondContact O-N 3.43Å; S71-T74 VanDerWaalsContact CA-OG1 3.31Å; S71-T74 WeakPolarHBondContact CA-OG1 3.34Å; S71-T74 PolarHBondContact O-OG1 2.78Å; S71-S75 WeakPolarHBondContact O-CB 3.34Å; S71-S75 PolarHBondContact O-N 3.44Å; S71-S75 PolarHBondContact O-OG 3.32Å
72	R	92.1	Very high	88.9	Confident	143 Å²	143	103.8 Å²	103.8	54%	0.54	51%	0.507	S	S	.	.	H	α-helix	trans	-65.8	-42.1	173.6	-174.2	178.2	67.3	-174.5	3.5	112.4	R68 K69 V70 S75 Q76	R68-R72 WeakPolarHBondContact O-CB 3.36Å; R68-R72 PolarHBondContact O-N 3.14Å; K69-R72 PolarHBondContact O-N 3.37Å; V70-R72 VanDerWaalsContact C-N 3.3Å; V70-R72 PolarHBondContact O-N 2.94Å; R72-S75 PolarHBondContact O-OG 2.86Å; R72-Q76 WeakPolarHBondContact O-CB 3.23Å; R72-Q76 VanDerWaalsContact O-CG 3.24Å; R72-Q76 WeakPolarHBondContact O-CG 3.35Å; R72-Q76 PolarHBondContact O-N 2.81Å; R72-Q76 VanDerWaalsContact O-N 3.14Å
73	L	89.1	Confident	89.1	Confident	77 Å²	77	100.1 Å²	100.1	40%	0.403	50%	0.502	S	S	.	.	H	α-helix	trans	-70.5	-38.7	178.9	-70.6	170.7	0	0	0	111.5	K69 V70 Q76 L77	K69-L73 HydrophobicContact CG-CD1 4.16Å; K69-L73 VanDerWaalsContact O-CG 3.26Å; K69-L73 WeakPolarHBondContact O-CG 3.04Å; K69-L73 PolarHBondContact O-N 3.16Å; V70-L73 CarbonylContact O-C 3.52Å; V70-L73 PolarHBondContact O-N 2.75Å; L73-Q76 PolarHBondContact O-N 3.29Å; L73-L77 WeakPolarHBondContact O-CB 3.39Å; L73-L77 VanDerWaalsContact O-CG 3.25Å; L73-L77 WeakPolarHBondContact O-CG 3.35Å; L73-L77 PolarHBondContact O-N 3.14Å
74	T	89.9	Confident	89.3	Confident	71 Å²	71	100.1 Å²	100.1	44%	0.436	49%	0.492	S	S	.	.	H	α-helix	trans	-65.5	-44.6	177.2	54.7	0	0	0	0	111.1	V70 S71 Q76 L77 V78	V70-T74 HydrophobicContact CG1-CG2 4.12Å; V70-T74 WeakPolarHBondContact O-CG2 3.35Å; V70-T74 PolarHBondContact O-N 3.23Å; V70-T74 PolarHBondContact O-OG1 2.94Å; S71-T74 VanDerWaalsContact CA-OG1 3.31Å; S71-T74 WeakPolarHBondContact CA-OG1 3.34Å; S71-T74 PolarHBondContact O-OG1 2.78Å; T74-Q76 PolarHBondContact O-N 2.84Å; T74-L77 PolarHBondContact O-N 3.37Å; T74-V78 WeakPolarHBondContact O-CG2 3.08Å; T74-V78 PolarHBondContact O-N 3.43Å
75	S	91.3	Very high	89.2	Confident	58 Å²	58	99.9 Å²	99.9	41%	0.406	49%	0.494	S	S	.	.	H	α-helix	trans	-61.9	-41.2	175.5	54	0	0	0	0	112.4	S71 R72 L77 V78 I79	S71-S75 WeakPolarHBondContact O-CB 3.34Å; S71-S75 PolarHBondContact O-N 3.44Å; S71-S75 PolarHBondContact O-OG 3.32Å; R72-S75 PolarHBondContact O-OG 2.86Å; S75-L77 PolarHBondContact O-N 3.46Å; S75-V78 PolarHBondContact O-N 3.06Å; S75-I79 WeakPolarHBondContact O-CG1 3.39Å; S75-I79 PolarHBondContact O-N 3.26Å; S75-I79 VanDerWaalsContact O-N 3.13Å
76	Q	92	Very high	89.4	Confident	90 Å²	90	93 Å²	93	42%	0.421	47%	0.472	S	S	.	.	H	α-helix	trans	-61.2	-42.3	172.7	-74.6	174	-10.1	0	0	112.7	R72 L73 T74 I79 Q80	R72-Q76 WeakPolarHBondContact O-CB 3.23Å; R72-Q76 VanDerWaalsContact O-CG 3.24Å; R72-Q76 WeakPolarHBondContact O-CG 3.35Å; R72-Q76 PolarHBondContact O-N 2.81Å; R72-Q76 VanDerWaalsContact O-N 3.14Å; L73-Q76 PolarHBondContact O-N 3.29Å; T74-Q76 PolarHBondContact O-N 2.84Å; Q76-I79 PolarHBondContact O-N 2.84Å; Q76-Q80 WeakPolarHBondContact O-CG 3.48Å; Q76-Q80 PolarHBondContact O-N 3.27Å
77	L	90	Very high	89.5	Confident	60 Å²	60	94.1 Å²	94.1	31%	0.314	48%	0.479	S	S	.	.	H	α-helix	trans	-63.9	-40.1	176.8	-74.1	170.4	0	0	0	111.9	L73 T74 S75 I79 Q80 N81 R185	L73-L77 WeakPolarHBondContact O-CB 3.39Å; L73-L77 VanDerWaalsContact O-CG 3.25Å; L73-L77 WeakPolarHBondContact O-CG 3.35Å; L73-L77 PolarHBondContact O-N 3.14Å; T74-L77 PolarHBondContact O-N 3.37Å; S75-L77 PolarHBondContact O-N 3.46Å; L77-I79 PolarHBondContact O-N 3.13Å; L77-Q80 PolarHBondContact O-N 2.97Å; L77-N81 WeakPolarHBondContact O-CB 3.49Å; L77-N81 VanDerWaalsContact O-CG 3.22Å; L77-N81 PolarHBondContact O-N 3.3Å; L77-R185 VanDerWaalsContact CD2-O 3.25Å; L77-R185 WeakPolarHBondContact CD2-O 3.28Å
78	V	91.1	Very high	89.4	Confident	99 Å²	99	94.5 Å²	94.5	60%	0.6	49%	0.485	S	S	*	.	H	α-helix	trans	-59.4	-47.1	175.7	170.8	0	0	0	0	110.8	T74 S75 Q80 N81 F82	T74-V78 WeakPolarHBondContact O-CG2 3.08Å; T74-V78 PolarHBondContact O-N 3.43Å; S75-V78 PolarHBondContact O-N 3.06Å; V78-Q80 PolarHBondContact O-N 3.21Å; V78-N81 PolarHBondContact O-N 2.86Å; V78-F82 PolarHBondContact O-N 2.85Å; V78-F82 VanDerWaalsContact O-N 3.08Å
79	I	92.3	Very high	89.3	Confident	110 Å²	110	91.9 Å²	91.9	56%	0.564	48%	0.481	S	S	*	.	H	α-helix	trans	-61.8	-46	177.1	-64.7	165.7	0	0	0	110.7	S75 Q76 L77 N81 F82 C83	S75-I79 WeakPolarHBondContact O-CG1 3.39Å; S75-I79 PolarHBondContact O-N 3.26Å; S75-I79 VanDerWaalsContact O-N 3.13Å; Q76-I79 PolarHBondContact O-N 2.84Å; L77-I79 PolarHBondContact O-N 3.13Å; I79-N81 VanDerWaalsContact C-N 3.32Å; I79-N81 PolarHBondContact O-N 2.9Å; I79-F82 PolarHBondContact O-N 2.85Å; I79-C83 PolarHBondContact O-N 3.14Å; I79-C83 VanDerWaalsContact O-N 3.07Å; I79-C83 PolarHBondContact O-SG 3.2Å; I79-C83 VanDerWaalsContact O-SG 3.39Å
80	Q	91.2	Very high	89.1	Confident	87 Å²	87	91.7 Å²	91.7	41%	0.407	49%	0.493	S	S	.	.	H	α-helix	trans	-66.9	-31.8	179.9	-70.2	-175.8	11.8	0	0	113.4	Q76 L77 V78 W84 L186	Q76-Q80 WeakPolarHBondContact O-CG 3.48Å; Q76-Q80 PolarHBondContact O-N 3.27Å; L77-Q80 PolarHBondContact O-N 2.97Å; V78-Q80 PolarHBondContact O-N 3.21Å; Q80-W84 WeakPolarHBondContact O-CB 3.14Å; Q80-W84 PolarHBondContact O-N 3.11Å; Q80-L186 HydrophobicContact CB-CD2 3.54Å
81	N	89.3	Confident	88.9	Confident	51 Å²	51	93.6 Å²	93.6	27%	0.273	50%	0.497	S	S	.	.	H	α-helix	trans	-63.6	-46.4	172.6	-77.8	-10.1	0	0	0	110.7	L77 V78 I79 C83 W84 L186	L77-N81 WeakPolarHBondContact O-CB 3.49Å; L77-N81 VanDerWaalsContact O-CG 3.22Å; L77-N81 PolarHBondContact O-N 3.3Å; V78-N81 PolarHBondContact O-N 2.86Å; I79-N81 VanDerWaalsContact C-N 3.32Å; I79-N81 PolarHBondContact O-N 2.9Å; N81-C83 VanDerWaalsContact C-N 3.35Å; N81-C83 PolarHBondContact O-N 3.48Å; N81-W84 PolarHBondContact O-N 2.94Å; N81-L186 WeakPolarHBondContact OD1-CB 3.45Å; N81-L186 VanDerWaalsContact OD1-CD1 3.3Å; N81-L186 WeakPolarHBondContact OD1-CD1 2.68Å; N81-L186 VanDerWaalsContact OD1-CD2 3.24Å; N81-L186 WeakPolarHBondContact OD1-CD2 2.94Å; N81-L186 VanDerWaalsContact OD1-CG 3.28Å; N81-L186 WeakPolarHBondContact OD1-CG 3.49Å
82	F	88.6	Confident	88.6	Confident	186 Å²	186	91.3 Å²	91.3	82%	0.816	48%	0.482	S	S	*	.	H	α-helix	trans	-62.1	-41.1	179.3	-173.5	-97	0	0	0	112.4	V78 I79 W84	V78-F82 PolarHBondContact O-N 2.85Å; V78-F82 VanDerWaalsContact O-N 3.08Å; I79-F82 PolarHBondContact O-N 2.85Å; F82-W84 VanDerWaalsContact C-N 3.27Å; F82-W84 PolarHBondContact O-N 3.2Å
83	C	89.5	Confident	88.2	Confident	98 Å²	98	84.8 Å²	84.8	66%	0.662	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-6.3	178.6	-60.5	0	0	0	0	114.2	I79 N81 N85	I79-C83 PolarHBondContact O-N 3.14Å; I79-C83 VanDerWaalsContact O-N 3.07Å; I79-C83 PolarHBondContact O-SG 3.2Å; I79-C83 VanDerWaalsContact O-SG 3.39Å; N81-C83 VanDerWaalsContact C-N 3.35Å; N81-C83 PolarHBondContact O-N 3.48Å; C83-N85 PolarHBondContact O-N 2.93Å
84	W	87.8	Confident	88.2	Confident	64 Å²	64	84.7 Å²	84.7	24%	0.242	46%	0.464	C	S	.	.			trans	-90.2	107.5	-176.6	-179.7	64.1	0	0	0	111.3	Q80 N81 F82 P86 W181 L182 P183 L186	Q80-W84 WeakPolarHBondContact O-CB 3.14Å; Q80-W84 PolarHBondContact O-N 3.11Å; N81-W84 PolarHBondContact O-N 2.94Å; F82-W84 VanDerWaalsContact C-N 3.27Å; F82-W84 PolarHBondContact O-N 3.2Å; W84-P86 HydrophobicContact CH2-CB 4.15Å; W84-P86 HydrophobicContact CH2-CG 3.81Å; W84-P86 HydrophobicContact CZ2-CB 3.78Å; W84-P86 HydrophobicContact CZ2-CG 3.94Å; W84-P86 HydrophobicContact CZ3-CG 4.27Å; W84-W181 WeakPolarHBondContact CH2-O 3.5Å; W84-W181 WeakPolarHBondContact CZ3-O 3.48Å; W84-L182 HydrophobicContact CE3-CD2 4.02Å; W84-L182 HydrophobicContact CZ3-CD2 4.05Å; W84-P183 HydrophobicContact CD2-CG 4.4Å; W84-P183 HydrophobicContact CZ2-CG 4.11Å; W84-L186 HydrophobicContact CB-CD1 3.63Å; W84-L186 HydrophobicContact CD2-CD1 3.85Å; W84-L186 HydrophobicContact CE3-CD1 4.17Å; W84-L186 HydrophobicContact CG-CD1 3.63Å
85	N	88.5	Confident	88.3	Confident	93 Å²	93	83.5 Å²	83.5	50%	0.497	46%	0.455	S	S	.	.			trans	-121	110.5	170.2	-172.4	-11.7	0	0	0	110	C83 N87 N88	C83-N85 PolarHBondContact O-N 2.93Å; N85-N87 PolarHBondContact O-N 3.32Å; N85-N87 WeakPolarHBondContact OD1-CB 3.27Å; N85-N87 PolarHBondContact OD1-N 2.94Å; N85-N88 PolarHBondContact O-N 3.48Å
86	P	86.7	Confident	88.4	Confident	29 Å²	29	81.9 Å²	81.9	19%	0.188	44%	0.443	C	S	.	.	G	3₁₀ helix	trans	-68.9	-18.9	-179.1	27.5	-33.4	0	0	0	113.6	W84 G175 R176	W84-P86 HydrophobicContact CH2-CB 4.15Å; W84-P86 HydrophobicContact CH2-CG 3.81Å; W84-P86 HydrophobicContact CZ2-CB 3.78Å; W84-P86 HydrophobicContact CZ2-CG 3.94Å; W84-P86 HydrophobicContact CZ3-CG 4.27Å; P86-G175 VanDerWaalsContact CG-O 3.24Å; P86-G175 WeakPolarHBondContact CG-O 3.06Å; P86-R176 HydrophobicContact CB-CG 3.96Å; P86-R176 HydrophobicContact CG-CG 4.31Å
87	N	86.9	Confident	88.5	Confident	117 Å²	117	84.1 Å²	84.1	63%	0.626	45%	0.449	S	S	*	.	G	3₁₀ helix	trans	-78.5	-21.6	-178.8	-62.3	-41.4	0	0	0	113.2	N85 N89 R176	N85-N87 PolarHBondContact O-N 3.32Å; N85-N87 WeakPolarHBondContact OD1-CB 3.27Å; N85-N87 PolarHBondContact OD1-N 2.94Å; N87-N89 VanDerWaalsContact C-N 3.33Å; N87-R176 WeakPolarHBondContact OD1-CG 3.2Å
88	N	86.5	Confident	88.8	Confident	136 Å²	136	84.2 Å²	84.2	73%	0.727	45%	0.447	S	S	*	.	G	3₁₀ helix	trans	-96.1	24.3	-179.1	-164.9	26.5	0	0	0	112.9	N85	N85-N88 PolarHBondContact O-N 3.48Å
89	N	85.3	Confident	89	Confident	80 Å²	80	79.5 Å²	79.5	43%	0.428	42%	0.418	S	S	.	.			trans	-94.3	115.9	179.8	-178.3	12.4	0	0	0	110.5	N87 E91 A92	N87-N89 VanDerWaalsContact C-N 3.33Å; N89-E91 PolarHBondContact O-N 2.92Å; N89-E91 PolarHBondContact OD1-N 3.19Å; N89-A92 HydrophobicContact CB-CB 4.16Å; N89-A92 VanDerWaalsContact O-CB 3.25Å; N89-A92 WeakPolarHBondContact O-CB 3.41Å; N89-A92 PolarHBondContact O-N 3.45Å; N89-A92 VanDerWaalsContact O-N 3.12Å
90	P	85.3	Confident	89.2	Confident	123 Å²	123	74.3 Å²	74.3	80%	0.799	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-25.4	-179	26.8	-35.7	0	0	0	113.5	A92	P90-A92 VanDerWaalsContact C-N 3.27Å; P90-A92 PolarHBondContact O-N 3.42Å
91	E	84.1	Confident	89.4	Confident	119 Å²	119	72.4 Å²	72.4	56%	0.556	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-11	178.9	-63.8	-176.3	170.7	0	0	112.9	N89	N89-E91 PolarHBondContact O-N 2.92Å; N89-E91 PolarHBondContact OD1-N 3.19Å
92	A	82.6	Confident	89.7	Confident	27 Å²	27	70 Å²	70	22%	0.223	37%	0.369	C	S	.	.	S	Bend	trans	-63	159.6	-175.9	0	0	0	0	0	112.7	N89 P90 K126	N89-A92 HydrophobicContact CB-CB 4.16Å; N89-A92 VanDerWaalsContact O-CB 3.25Å; N89-A92 WeakPolarHBondContact O-CB 3.41Å; N89-A92 PolarHBondContact O-N 3.45Å; N89-A92 VanDerWaalsContact O-N 3.12Å; P90-A92 VanDerWaalsContact C-N 3.27Å; P90-A92 PolarHBondContact O-N 3.42Å; A92-K126 PolarHBondContact O-NZ 2.94Å; A92-K126 VanDerWaalsContact O-NZ 3.07Å
93	T	84.6	Confident	90	Very high	6 Å²	6	61.9 Å²	61.9	4%	0.037	34%	0.335	C	S	.	.			trans	-76.2	159.1	176.2	-58.1	0	0	0	0	111.2	T99 E144 R176	T93-T99 WeakPolarHBondContact CB-OG1 3.33Å; T93-T99 HydrophobicContact CG2-CG2 4.28Å; T93-T99 WeakPolarHBondContact CG2-OG1 3.24Å; T93-E144 HydrophobicContact CG2-CB 3.28Å; T93-E144 HydrophobicContact CG2-CG 3.21Å; T93-E144 WeakPolarHBondContact CG2-OE1 3.31Å; T93-E144 WeakPolarHBondContact CG2-OE2 3.31Å; T93-R176 PolarHBondContact O-NH1 3.02Å; T93-R176 PolarHBondContact O-NH2 3.09Å
94	S	88.6	Confident	90.1	Very high	75 Å²	75	62.3 Å²	62.3	52%	0.524	32%	0.323	S	S	.	.	S	Bend	trans	-69.4	-55.3	-178.8	72	0	0	0	0	113	K125 E144	S94-K125 PolarHBondContact OG-NZ 2.68Å; S94-E144 WeakPolarHBondContact CB-OE1 3.3Å; S94-E144 PolarHBondContact N-OE1 3.14Å; S94-E144 PolarHBondContact OG-OE1 2.85Å
95	D	92.4	Very high	90.4	Very high	46 Å²	46	59.5 Å²	59.5	25%	0.246	31%	0.313	C	S	.	.			trans	-108.9	116	-177.5	-171.9	-16.9	0	0	0	112	Y97 K98 T99 E144	D95-Y97 VanDerWaalsContact C-N 3.29Å; D95-Y97 PolarHBondContact O-N 3.38Å; D95-Y97 PolarHBondContact OD1-N 3.37Å; D95-K98 HydrophobicContact CB-CB 4.2Å; D95-K98 HydrophobicContact CB-CD 4.08Å; D95-K98 HydrophobicContact CB-CG 4.15Å; D95-K98 PolarHBondContact O-N 2.94Å; D95-K98 WeakPolarHBondContact OD2-CD 3.41Å; D95-K98 WeakPolarHBondContact OD2-CE 3.47Å; D95-K98 WeakPolarHBondContact OD2-CG 3.38Å; D95-T99 PolarHBondContact O-N 3.18Å; D95-T99 PolarHBondContact O-OG1 3.12Å; D95-E144 PolarHBondContact N-OE1 3.03Å
96	P	92.5	Very high	90.7	Very high	24 Å²	24	55.7 Å²	55.7	16%	0.156	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-67.4	-25.8	-179.1	30.1	-36.4	0	0	0	113.6	K98 T99 R176 T177	P96-K98 VanDerWaalsContact C-N 3.29Å; P96-K98 PolarHBondContact O-N 2.77Å; P96-T99 PolarHBondContact O-N 2.81Å; P96-R176 HydrophobicContact CB-CB 3.8Å; P96-R176 HydrophobicContact CG-CB 4.26Å; P96-T177 HydrophobicContact CB-CG2 3.85Å; P96-T177 HydrophobicContact CG-CG2 4.41Å
97	Y	94.4	Very high	91	Very high	136 Å²	136	61 Å²	61	53%	0.533	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-79.2	-14	178.5	-63.9	-79	0	0	0	113	D95 M151 T177	D95-Y97 VanDerWaalsContact C-N 3.29Å; D95-Y97 PolarHBondContact O-N 3.38Å; D95-Y97 PolarHBondContact OD1-N 3.37Å; Y97-M151 WeakPolarHBondContact O-CE 3.49Å; Y97-T177 HydrophobicContact CD1-CG2 3.99Å; Y97-T177 HydrophobicContact CE1-CG2 3.89Å; Y97-T177 HydrophobicContact CG-CG2 4.45Å
98	K	96	Very high	91.4	Very high	63 Å²	63	62.2 Å²	62.2	27%	0.274	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-102.5	5.4	173.3	-58.4	179.9	-175.8	-174.3	0	112.8	D95 P96 F145 E146 E148	D95-K98 HydrophobicContact CB-CB 4.2Å; D95-K98 HydrophobicContact CB-CD 4.08Å; D95-K98 HydrophobicContact CB-CG 4.15Å; D95-K98 PolarHBondContact O-N 2.94Å; D95-K98 WeakPolarHBondContact OD2-CD 3.41Å; D95-K98 WeakPolarHBondContact OD2-CE 3.47Å; D95-K98 WeakPolarHBondContact OD2-CG 3.38Å; P96-K98 VanDerWaalsContact C-N 3.29Å; P96-K98 PolarHBondContact O-N 2.77Å; K98-F145 WeakPolarHBondContact CB-O 3.33Å; K98-F145 PolarHBondContact O-N 3.22Å; K98-E146 PolarHBondContact NZ-O 3.03Å; K98-E146 VanDerWaalsContact NZ-O 3.1Å; K98-E148 HydrophobicContact CG-CB 4.22Å
99	T	96.2	Very high	91.7	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	121.1	-175.7	-57.3	0	0	0	0	111.4	T93 D95 P96 F142 L143 E173	T93-T99 WeakPolarHBondContact CB-OG1 3.33Å; T93-T99 HydrophobicContact CG2-CG2 4.28Å; T93-T99 WeakPolarHBondContact CG2-OG1 3.24Å; D95-T99 PolarHBondContact O-N 3.18Å; D95-T99 PolarHBondContact O-OG1 3.12Å; P96-T99 PolarHBondContact O-N 2.81Å; T99-F142 HydrophobicContact CG2-CB 3.86Å; T99-F142 HydrophobicContact CG2-CD1 4Å; T99-F142 HydrophobicContact CG2-CG 4.4Å; T99-L143 CarbonylContact C-O 3.55Å; T99-L143 WeakPolarHBondContact CA-O 2.97Å; T99-E173 VanDerWaalsContact CB-OE2 3.23Å; T99-E173 WeakPolarHBondContact CB-OE2 3.25Å; T99-E173 HydrophobicContact CG2-CB 3.93Å; T99-E173 HydrophobicContact CG2-CG 4.2Å; T99-E173 WeakPolarHBondContact CG2-OE2 3.41Å; T99-E173 WeakPolarHBondContact O-CB 3.46Å; T99-E173 PolarHBondContact O-N 2.85Å; T99-E173 VanDerWaalsContact O-N 3.16Å; T99-E173 PolarHBondContact OG1-OE2 3.42Å
100	L	96.2	Very high	92.1	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	130.8	172.2	-161.6	74	0	0	0	110	V102 F118 F142 L143 F145 M151 A154 V170	L100-V102 HydrophobicContact CD2-CG2 4.1Å; L100-V102 HydrophobicContact CG-CG2 4.4Å; L100-F118 HydrophobicContact CD2-CD1 3.77Å; L100-F118 HydrophobicContact CD2-CE1 3.57Å; L100-F142 CarbonylContact O-C 3.56Å; L100-F142 WeakPolarHBondContact O-CA 3.38Å; L100-L143 HydrophobicContact CB-CB 4.27Å; L100-L143 PolarHBondContact N-O 2.64Å; L100-L143 PolarHBondContact O-N 2.95Å; L100-F145 HydrophobicContact CB-CD2 4.47Å; L100-F145 HydrophobicContact CB-CE2 4.01Å; L100-F145 HydrophobicContact CD2-CE2 4.03Å; L100-M151 HydrophobicContact CB-CG 4.14Å; L100-M151 HydrophobicContact CD1-CG 4.12Å; L100-M151 HydrophobicContact CD1-SD 3.77Å; L100-A154 HydrophobicContact CD2-CB 3.71Å; L100-V170 HydrophobicContact CD1-CG1 3.56Å; L100-V170 HydrophobicContact CD2-CG1 3.59Å; L100-V170 HydrophobicContact CG-CG1 3.63Å
101	F	96	Very high	92.5	Very high	48 Å²	48	53.1 Å²	53.1	21%	0.211	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	123.1	170.4	174.5	-105	0	0	0	109.8	Y140 F142 V170 D171	F101-Y140 AromaticContact CE2-CD2 3.67Å; F101-Y140 HydrophobicContact CE2-CD2 3.67Å; F101-Y140 HydrophobicContact CE2-CE2 4.48Å; F101-Y140 HydrophobicContact CE2-CG 4.04Å; F101-Y140 HydrophobicContact CZ-CD2 4.47Å; F101-Y140 HydrophobicContact CZ-CG 4.44Å; F101-F142 HydrophobicContact CB-CD1 4.47Å; F101-F142 HydrophobicContact CB-CE1 4.39Å; F101-F142 HydrophobicContact CD2-CD1 4.09Å; F101-F142 AromaticContact CD2-CE1 3.55Å; F101-F142 HydrophobicContact CD2-CE1 3.55Å; F101-F142 AromaticContact CD2-CZ 3.87Å; F101-F142 HydrophobicContact CD2-CZ 3.87Å; F101-F142 HydrophobicContact CE2-CE1 4.33Å; F101-F142 HydrophobicContact CE2-CZ 4.2Å; F101-F142 HydrophobicContact CG-CE1 4.41Å; F101-V170 CarbonylContact O-C 3.44Å; F101-V170 WeakPolarHBondContact O-CA 3.25Å; F101-D171 WeakPolarHBondContact CA-O 3.46Å; F101-D171 HydrophobicContact CB-CB 4.46Å; F101-D171 WeakPolarHBondContact CB-O 3.48Å; F101-D171 HydrophobicContact CD1-CB 4.01Å; F101-D171 PolarHBondContact N-O 2.97Å; F101-D171 PolarHBondContact O-N 2.82Å
102	V	95.3	Very high	93	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	129.5	176.2	-173.4	0	0	0	0	108.5	L100 I105 F118 Y140 A141 L143 V168 L169 V170	L100-V102 HydrophobicContact CD2-CG2 4.1Å; L100-V102 HydrophobicContact CG-CG2 4.4Å; V102-I105 HydrophobicContact CB-CD1 4.16Å; V102-I105 HydrophobicContact CG1-CD1 3.91Å; V102-I105 HydrophobicContact CG1-CG1 3.86Å; V102-F118 HydrophobicContact CB-CZ 4.27Å; V102-F118 HydrophobicContact CG1-CE2 4.04Å; V102-F118 HydrophobicContact CG1-CZ 3.75Å; V102-F118 HydrophobicContact CG2-CE1 3.79Å; V102-F118 HydrophobicContact CG2-CE2 3.99Å; V102-F118 HydrophobicContact CG2-CZ 3.46Å; V102-F118 VanDerWaalsContact CG2-CZ 3.46Å; V102-Y140 CarbonylContact O-C 3.48Å; V102-Y140 WeakPolarHBondContact O-CA 3.17Å; V102-Y140 WeakPolarHBondContact O-CB 3.47Å; V102-A141 PolarHBondContact N-O 3.16Å; V102-A141 PolarHBondContact O-N 3.31Å; V102-L143 HydrophobicContact CG2-CD1 3.69Å; V102-L143 HydrophobicContact CG2-CG 4.15Å; V102-V168 HydrophobicContact CG1-CB 4Å; V102-V168 HydrophobicContact CG1-CG1 4.36Å; V102-V168 HydrophobicContact CG1-CG2 4.28Å; V102-L169 CarbonylContact C-O 3.59Å; V102-L169 WeakPolarHBondContact CA-O 3.48Å; V102-V170 HydrophobicContact CG1-CG2 4.44Å; V102-V170 HydrophobicContact CG2-CG2 4.46Å
103	S	94.1	Very high	93.5	Very high	15 Å²	15	52.2 Å²	52.2	11%	0.105	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	170.1	-179.9	73.5	0	0	0	0	112.4	I105 G139 V168 L169	S103-I105 PolarHBondContact O-N 3.36Å; S103-G139 CarbonylContact C-O 3.43Å; S103-V168 WeakPolarHBondContact O-CA 3.42Å; S103-L169 PolarHBondContact N-O 3.37Å; S103-L169 PolarHBondContact O-N 2.94Å; S103-L169 WeakPolarHBondContact OG-CB 3.42Å; S103-L169 WeakPolarHBondContact OG-CD2 3.42Å; S103-L169 PolarHBondContact OG-O 3.09Å
104	R	92.7	Very high	94	Very high	108 Å²	108	52 Å²	52	41%	0.408	27%	0.265	S	S	.	.	S	Bend	trans	61.9	27.3	-172.9	-47.9	-174.3	-171.8	-174.9	9.8	113.4	G139 L169 T193	R104-G139 PolarHBondContact N-O 2.82Å; R104-L169 HydrophobicContact CG-CB 4.31Å; R104-T193 VanDerWaalsContact CZ-CG2 3.43Å
105	I	94.1	Very high	94.3	Very high	5 Å²	5	52.5 Å²	52.5	3%	0.026	26%	0.255	C	S	.	.			trans	-64.2	146.3	173.1	-50.6	174.3	0	0	0	108.3	V102 S103 T109 L114 G139 A141 V168	V102-I105 HydrophobicContact CB-CD1 4.16Å; V102-I105 HydrophobicContact CG1-CD1 3.91Å; V102-I105 HydrophobicContact CG1-CG1 3.86Å; S103-I105 PolarHBondContact O-N 3.36Å; I105-T109 HydrophobicContact CG2-CG2 3.94Å; I105-L114 HydrophobicContact CD1-CD1 4.09Å; I105-L114 HydrophobicContact CD1-CD2 3.94Å; I105-G139 PolarHBondContact N-O 3.36Å; I105-G139 VanDerWaalsContact N-O 3.09Å; I105-A141 HydrophobicContact CD1-CB 3.76Å; I105-V168 HydrophobicContact CG1-CG1 4.33Å
106	S	93.9	Very high	94.5	Very high	12 Å²	12	57.5 Å²	57.5	8%	0.084	27%	0.271	C	S	.	.			trans	-65.8	146.7	171.5	-159.2	0	0	0	0	110.2	D108 T109	S106-D108 PolarHBondContact O-N 3.39Å; S106-T109 WeakPolarHBondContact CB-OG1 3.45Å; S106-T109 WeakPolarHBondContact O-CB 3.49Å; S106-T109 PolarHBondContact O-N 3.49Å
107	Y	94.1	Very high	94.5	Very high	141 Å²	141	58 Å²	58	55%	0.553	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-20.7	177.1	-57.5	-44.3	0	0	0	112.1	P137	Y107-P137 HydrophobicContact CD1-CG 4.31Å; Y107-P137 VanDerWaalsContact CD1-O 3.31Å; Y107-P137 WeakPolarHBondContact CD1-O 3.37Å; Y107-P137 WeakPolarHBondContact CE1-O 3.45Å; Y107-P137 WeakPolarHBondContact O-CG 3.29Å
108	D	93.6	Very high	94.6	Very high	143 Å²	143	51.5 Å²	51.5	77%	0.765	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86	-8.8	177.7	-45.7	-52.4	0	0	0	113.1	S106 S110	S106-D108 PolarHBondContact O-N 3.39Å; D108-S110 PolarHBondContact O-N 3.21Å
109	T	93.3	Very high	94.6	Very high	3 Å²	3	53.1 Å²	53.1	2%	0.018	25%	0.254	C	S	.	.			trans	-73.8	121.3	-178.2	-57.5	0	0	0	0	110	I105 S106 K113 I163 D164	I105-T109 HydrophobicContact CG2-CG2 3.94Å; S106-T109 WeakPolarHBondContact CB-OG1 3.45Å; S106-T109 WeakPolarHBondContact O-CB 3.49Å; S106-T109 PolarHBondContact O-N 3.49Å; T109-K113 HydrophobicContact CG2-CB 4.26Å; T109-K113 HydrophobicContact CG2-CD 4.37Å; T109-K113 HydrophobicContact CG2-CG 4.32Å; T109-I163 HydrophobicContact CG2-CG2 3.91Å; T109-D164 WeakPolarHBondContact CB-OD2 3.03Å; T109-D164 PolarHBondContact OG1-OD2 2.84Å
110	S	93.8	Very high	94.5	Very high	63 Å²	63	58.2 Å²	58.2	44%	0.441	29%	0.285	S	S	.	.			trans	-76.8	156.4	175	67.6	0	0	0	0	112.6	D108 A112 K113 L114	D108-S110 PolarHBondContact O-N 3.21Å; S110-A112 VanDerWaalsContact C-N 3.28Å; S110-A112 PolarHBondContact O-N 2.99Å; S110-K113 WeakPolarHBondContact O-CB 3.37Å; S110-K113 PolarHBondContact O-N 3.01Å; S110-K113 VanDerWaalsContact O-N 3.16Å; S110-K113 WeakPolarHBondContact OG-CB 3.44Å; S110-K113 PolarHBondContact OG-N 3.39Å; S110-L114 PolarHBondContact O-N 2.63Å
111	E	93.6	Very high	94.5	Very high	81 Å²	81	60.6 Å²	60.6	38%	0.379	30%	0.295	S	S	.	.	H	α-helix	trans	-57.5	-41.9	175.3	-168.4	-167.6	140.4	0	0	111.8	K113 L114 R115 V127	E111-K113 VanDerWaalsContact C-N 3.31Å; E111-K113 PolarHBondContact O-N 3.03Å; E111-L114 PolarHBondContact O-N 3.26Å; E111-R115 WeakPolarHBondContact O-CB 3.5Å; E111-R115 PolarHBondContact O-N 3.48Å; E111-V127 HydrophobicContact CG-CB 4.11Å; E111-V127 HydrophobicContact CG-CG1 3.43Å; E111-V127 VanDerWaalsContact CG-CG1 3.43Å
112	A	94.9	Very high	94.4	Very high	71 Å²	71	58.9 Å²	58.9	59%	0.587	29%	0.29	S	S	*	.	H	α-helix	trans	-61.5	-38.6	178.1	0	0	0	0	0	112.3	S110 R115 R116	S110-A112 VanDerWaalsContact C-N 3.28Å; S110-A112 PolarHBondContact O-N 2.99Å; A112-R115 PolarHBondContact O-N 2.96Å; A112-R116 WeakPolarHBondContact O-CB 3.31Å; A112-R116 PolarHBondContact O-N 3.23Å
113	K	94.2	Very high	94.5	Very high	56 Å²	56	61.2 Å²	61.2	24%	0.243	31%	0.305	C	S	.	.	H	α-helix	trans	-66.1	-47.1	175	-175.8	166.5	-174.3	163.3	0	110.7	T109 S110 E111 R115 R116 E117 D164	T109-K113 HydrophobicContact CG2-CB 4.26Å; T109-K113 HydrophobicContact CG2-CD 4.37Å; T109-K113 HydrophobicContact CG2-CG 4.32Å; S110-K113 WeakPolarHBondContact O-CB 3.37Å; S110-K113 PolarHBondContact O-N 3.01Å; S110-K113 VanDerWaalsContact O-N 3.16Å; S110-K113 WeakPolarHBondContact OG-CB 3.44Å; S110-K113 PolarHBondContact OG-N 3.39Å; E111-K113 VanDerWaalsContact C-N 3.31Å; E111-K113 PolarHBondContact O-N 3.03Å; K113-R115 VanDerWaalsContact C-N 3.3Å; K113-R115 PolarHBondContact O-N 3.31Å; K113-R116 PolarHBondContact O-N 2.83Å; K113-E117 HydrophobicContact CG-CG 4.45Å; K113-E117 WeakPolarHBondContact O-CG 3.32Å; K113-E117 PolarHBondContact O-N 3.38Å; K113-D164 WeakPolarHBondContact CD-OD2 3.45Å; K113-D164 WeakPolarHBondContact CE-OD1 3.48Å; K113-D164 WeakPolarHBondContact CE-OD2 3.33Å; K113-D164 IonicContact NZ-OD1 3.99Å; K113-D164 PolarHBondContact NZ-OD1 3.03Å; K113-D164 IonicContact NZ-OD2 2.7Å; K113-D164 PolarHBondContact NZ-OD2 3.34Å
114	L	94.4	Very high	94.5	Very high	1 Å²	1	61.1 Å²	61.1	1%	0.005	30%	0.303	C	S	.	.	H	α-helix	trans	-58.4	-43.9	177.2	-166.9	71	0	0	0	111.4	I105 S110 E111 E117 F118 A141 L143 I163	I105-L114 HydrophobicContact CD1-CD1 4.09Å; I105-L114 HydrophobicContact CD1-CD2 3.94Å; S110-L114 PolarHBondContact O-N 2.63Å; E111-L114 PolarHBondContact O-N 3.26Å; L114-E117 PolarHBondContact O-N 2.69Å; L114-F118 HydrophobicContact CD1-CD2 3.85Å; L114-F118 HydrophobicContact CD1-CE2 3.58Å; L114-F118 HydrophobicContact CG-CD2 4.12Å; L114-F118 HydrophobicContact CG-CE2 4.31Å; L114-F118 WeakPolarHBondContact O-CD2 3.49Å; L114-F118 PolarHBondContact O-N 3.37Å; L114-F118 VanDerWaalsContact O-N 3.11Å; L114-A141 HydrophobicContact CD2-CB 3.52Å; L114-L143 HydrophobicContact CD2-CD2 3.89Å; L114-L143 HydrophobicContact CG-CD2 4.34Å; L114-I163 HydrophobicContact CD1-CD1 4.25Å
115	R	95.6	Very high	94.7	Very high	87 Å²	87	61.8 Å²	61.8	33%	0.328	31%	0.309	S	S	.	.	H	α-helix	trans	-55.5	-55.6	173.8	-178	-177.6	-70.2	-112.4	1.6	111.1	E111 A112 K113 E117 F118 E119 L124 V127	E111-R115 WeakPolarHBondContact O-CB 3.5Å; E111-R115 PolarHBondContact O-N 3.48Å; A112-R115 PolarHBondContact O-N 2.96Å; K113-R115 VanDerWaalsContact C-N 3.3Å; K113-R115 PolarHBondContact O-N 3.31Å; R115-E117 VanDerWaalsContact C-N 3.29Å; R115-E117 PolarHBondContact O-N 2.91Å; R115-F118 PolarHBondContact O-N 2.8Å; R115-F118 VanDerWaalsContact O-N 3.13Å; R115-E119 WeakPolarHBondContact O-CB 3.21Å; R115-E119 PolarHBondContact O-N 3.03Å; R115-L124 HydrophobicContact CB-CD1 4.37Å; R115-L124 HydrophobicContact CG-CD1 3.98Å; R115-V127 HydrophobicContact CB-CG2 4.37Å
116	R	95.2	Very high	94.6	Very high	151 Å²	151	65.3 Å²	65.3	57%	0.57	33%	0.325	S	S	*	.	H	α-helix	trans	-56	-41.3	-179.4	-174.3	-177.5	68	-165.8	2.5	113	A112 K113	A112-R116 WeakPolarHBondContact O-CB 3.31Å; A112-R116 PolarHBondContact O-N 3.23Å; K113-R116 PolarHBondContact O-N 2.83Å
117	E	94.1	Very high	94.7	Very high	34 Å²	34	65.4 Å²	65.4	16%	0.159	32%	0.324	C	S	.	.	H	α-helix	trans	-67.2	-40.6	179.7	-65.9	-49	148.8	0	0	112	K113 L114 R115 T120 R161 I163	K113-E117 HydrophobicContact CG-CG 4.45Å; K113-E117 WeakPolarHBondContact O-CG 3.32Å; K113-E117 PolarHBondContact O-N 3.38Å; L114-E117 PolarHBondContact O-N 2.69Å; R115-E117 VanDerWaalsContact C-N 3.29Å; R115-E117 PolarHBondContact O-N 2.91Å; E117-T120 PolarHBondContact O-OG1 2.77Å; E117-R161 PolarHBondContact O-NH1 3.02Å; E117-R161 IonicContact OE2-CZ 3.38Å; E117-R161 IonicContact OE2-NH1 2.57Å; E117-R161 PolarHBondContact OE2-NH1 3.27Å; E117-R161 IonicContact OE2-NH2 3.47Å; E117-R161 PolarHBondContact OE2-NH2 3.5Å; E117-I163 HydrophobicContact CB-CD1 4.26Å; E117-I163 HydrophobicContact CG-CD1 4.22Å; E117-I163 HydrophobicContact CG-CG1 4.47Å
118	F	95.4	Very high	94.7	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-88.5	-20	-176.2	-79.7	-88.8	0	0	0	114.1	L100 V102 L114 R115 T120 Y121 L124 L143 F145 A158 I163 V170	L100-F118 HydrophobicContact CD2-CD1 3.77Å; L100-F118 HydrophobicContact CD2-CE1 3.57Å; V102-F118 HydrophobicContact CB-CZ 4.27Å; V102-F118 HydrophobicContact CG1-CE2 4.04Å; V102-F118 HydrophobicContact CG1-CZ 3.75Å; V102-F118 HydrophobicContact CG2-CE1 3.79Å; V102-F118 HydrophobicContact CG2-CE2 3.99Å; V102-F118 HydrophobicContact CG2-CZ 3.46Å; V102-F118 VanDerWaalsContact CG2-CZ 3.46Å; L114-F118 HydrophobicContact CD1-CD2 3.85Å; L114-F118 HydrophobicContact CD1-CE2 3.58Å; L114-F118 HydrophobicContact CG-CD2 4.12Å; L114-F118 HydrophobicContact CG-CE2 4.31Å; L114-F118 WeakPolarHBondContact O-CD2 3.49Å; L114-F118 PolarHBondContact O-N 3.37Å; L114-F118 VanDerWaalsContact O-N 3.11Å; R115-F118 PolarHBondContact O-N 2.8Å; R115-F118 VanDerWaalsContact O-N 3.13Å; F118-T120 PolarHBondContact O-N 2.84Å; F118-Y121 HydrophobicContact CD1-CD2 4.34Å; F118-Y121 HydrophobicContact CD1-CE2 4.38Å; F118-Y121 WeakPolarHBondContact O-CD2 3.24Å; F118-Y121 PolarHBondContact O-N 2.81Å; F118-Y121 VanDerWaalsContact O-N 3.14Å; F118-L124 HydrophobicContact CB-CD1 4.07Å; F118-L143 HydrophobicContact CB-CD1 3.67Å; F118-L143 HydrophobicContact CD1-CD1 3.64Å; F118-L143 HydrophobicContact CD2-CD1 3.49Å; F118-L143 VanDerWaalsContact CD2-CD1 3.49Å; F118-L143 HydrophobicContact CE1-CD1 4.13Å; F118-L143 HydrophobicContact CE2-CD1 4Å; F118-L143 HydrophobicContact CG-CD1 3.29Å; F118-L143 HydrophobicContact CZ-CD1 4.3Å; F118-F145 HydrophobicContact CB-CZ 4.42Å; F118-A158 HydrophobicContact CD1-CB 4.34Å; F118-A158 HydrophobicContact CE1-CB 3.61Å; F118-A158 HydrophobicContact CZ-CB 4.26Å; F118-I163 HydrophobicContact CE2-CD1 4.05Å; F118-V170 HydrophobicContact CE1-CG2 4.18Å; F118-V170 HydrophobicContact CZ-CG2 4.09Å
119	E	95.6	Very high	94.7	Very high	97 Å²	97	54.9 Å²	54.9	45%	0.453	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-65.1	-17.7	175.8	-167.7	164.4	-147.6	0	0	112.7	R115 Y121 G122	R115-E119 WeakPolarHBondContact O-CB 3.21Å; R115-E119 PolarHBondContact O-N 3.03Å; E119-Y121 PolarHBondContact O-N 3.18Å; E119-G122 WeakPolarHBondContact CA-O 3.35Å; E119-G122 PolarHBondContact O-N 3.12Å; E119-G122 VanDerWaalsContact O-N 3.14Å
120	T	95.2	Very high	94.7	Very high	107 Å²	107	55.6 Å²	55.6	66%	0.656	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-59.6	-25.7	171.9	-53.1	0	0	0	0	112.9	E117 F118	E117-T120 PolarHBondContact O-OG1 2.77Å; F118-T120 PolarHBondContact O-N 2.84Å
121	Y	94.9	Very high	94.7	Very high	50 Å²	50	56.7 Å²	56.7	20%	0.196	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-89.8	-20.3	178.7	-56.2	-72.8	0	0	0	113.2	F118 E119 A154 H157 A158	F118-Y121 HydrophobicContact CD1-CD2 4.34Å; F118-Y121 HydrophobicContact CD1-CE2 4.38Å; F118-Y121 WeakPolarHBondContact O-CD2 3.24Å; F118-Y121 PolarHBondContact O-N 2.81Å; F118-Y121 VanDerWaalsContact O-N 3.14Å; E119-Y121 PolarHBondContact O-N 3.18Å; Y121-A154 HydrophobicContact CD1-CB 4.49Å; Y121-A154 HydrophobicContact CD2-CB 3.73Å; Y121-A154 HydrophobicContact CE2-CB 4.4Å; Y121-A154 HydrophobicContact CG-CB 3.78Å; Y121-H157 HydrophobicContact CD1-CB 4.46Å; Y121-H157 HydrophobicContact CE1-CB 3.59Å; Y121-H157 PolarHBondContact OH-O 3.36Å; Y121-A158 HydrophobicContact CE2-CB 3.68Å; Y121-A158 WeakPolarHBondContact OH-CA 3.07Å
122	G	94.8	Very high	94.5	Very high	11 Å²	11	56.2 Å²	56.2	11%	0.113	28%	0.279	C	S	.	.	S	Bend	trans	158.5	169.2	-179.6	0	0	0	0	0	112.7	E119	E119-G122 WeakPolarHBondContact CA-O 3.35Å; E119-G122 PolarHBondContact O-N 3.12Å; E119-G122 VanDerWaalsContact O-N 3.14Å
123	P	96.6	Very high	94.3	Very high	49 Å²	49	63 Å²	63	32%	0.318	30%	0.296	S	S	.	.			trans	-65.9	133.7	-177.5	26.9	-34.2	0	0	0	112.2	E146	P123-E146 HydrophobicContact CB-CG 4.13Å; P123-E146 HydrophobicContact CG-CB 4.15Å; P123-E146 HydrophobicContact CG-CG 4.04Å; P123-E146 WeakPolarHBondContact CG-OE2 3.48Å; P123-E146 PolarHBondContact O-N 2.87Å
124	L	95.6	Very high	94.2	Very high	13 Å²	13	63.6 Å²	63.6	7%	0.068	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	121.7	178.6	-70.6	172.2	0	0	0	110.7	R115 F118 V127 L143 E144 F145	R115-L124 HydrophobicContact CB-CD1 4.37Å; R115-L124 HydrophobicContact CG-CD1 3.98Å; F118-L124 HydrophobicContact CB-CD1 4.07Å; L124-V127 HydrophobicContact CB-CG2 4.47Å; L124-V127 HydrophobicContact CD1-CG2 4.04Å; L124-L143 HydrophobicContact CD2-CB 3.99Å; L124-E144 CarbonylContact C-O 3.47Å; L124-E144 WeakPolarHBondContact CA-O 3.5Å; L124-F145 HydrophobicContact CD2-CD1 3.8Å; L124-F145 HydrophobicContact CD2-CD2 4.01Å; L124-F145 HydrophobicContact CD2-CE1 3.62Å; L124-F145 HydrophobicContact CD2-CE2 3.83Å; L124-F145 HydrophobicContact CD2-CG 4Å; L124-F145 HydrophobicContact CD2-CZ 3.65Å; L124-F145 HydrophobicContact CG-CE1 4.31Å
125	K	95.1	Very high	93.9	Very high	123 Å²	123	69.3 Å²	69.3	54%	0.535	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	-44.8	176.1	-178.8	175.9	174.7	-169.1	0	112	S94 E144 E146	S94-K125 PolarHBondContact OG-NZ 2.68Å; K125-E144 HydrophobicContact CB-CB 4.18Å; K125-E144 HydrophobicContact CB-CG 4.11Å; K125-E144 HydrophobicContact CD-CG 4.3Å; K125-E144 PolarHBondContact N-O 3.38Å; K125-E144 IonicContact NZ-OE1 3.33Å; K125-E146 HydrophobicContact CB-CG 4.27Å
126	K	93.9	Very high	93.7	Very high	79 Å²	79	70.1 Å²	70.1	34%	0.343	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	139	-177.1	-169.7	178.8	178.8	-173	0	110.4	A92 E144	A92-K126 PolarHBondContact O-NZ 2.94Å; A92-K126 VanDerWaalsContact O-NZ 3.07Å; K126-E144 HydrophobicContact CB-CB 3.94Å; K126-E144 PolarHBondContact N-O 2.94Å; K126-E144 PolarHBondContact O-N 2.72Å
127	V	94.6	Very high	93.6	Very high	13 Å²	13	64.6 Å²	64.6	8%	0.079	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	123.1	172.3	177.1	0	0	0	0	107.4	E111 R115 L124 L143	E111-V127 HydrophobicContact CG-CB 4.11Å; E111-V127 HydrophobicContact CG-CG1 3.43Å; E111-V127 VanDerWaalsContact CG-CG1 3.43Å; R115-V127 HydrophobicContact CB-CG2 4.37Å; L124-V127 HydrophobicContact CB-CG2 4.47Å; L124-V127 HydrophobicContact CD1-CG2 4.04Å; V127-L143 HydrophobicContact CB-CD2 4.12Å; V127-L143 HydrophobicContact CG1-CD2 3.57Å; V127-L143 HydrophobicContact CG2-CD2 3.9Å
128	C	93.6	Very high	93.5	Very high	22 Å²	22	68.4 Å²	68.4	15%	0.149	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	95.7	178.8	-175	0	0	0	0	109.2	A141 F142	C128-A141 CarbonylContact O-C 3.55Å; C128-A141 VanDerWaalsContact O-CA 3.27Å; C128-A141 WeakPolarHBondContact O-CA 3.37Å; C128-F142 HydrophobicContact CB-CB 4.38Å; C128-F142 PolarHBondContact N-O 3.09Å; C128-F142 PolarHBondContact O-N 3.37Å
129	M	93.8	Very high	93.4	Very high	41 Å²	41	68.8 Å²	68.8	20%	0.202	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	121.8	173.7	-172.8	169.9	69.2	0	0	109.8	A141	M129-A141 HydrophobicContact CB-CB 4.38Å
130	V	93.7	Very high	93.4	Very high	18 Å²	18	66.3 Å²	66.3	11%	0.109	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	127	-174.2	-174.2	0	0	0	0	110.9	R138 Y140 F142	V130-R138 WeakPolarHBondContact O-CB 3.25Å; V130-R138 PolarHBondContact O-N 3.13Å; V130-Y140 HydrophobicContact CB-CD2 4Å; V130-Y140 HydrophobicContact CB-CE1 4.35Å; V130-Y140 HydrophobicContact CB-CE2 3.47Å; V130-Y140 VanDerWaalsContact CB-CE2 3.47Å; V130-Y140 HydrophobicContact CG1-CE1 4.43Å; V130-Y140 HydrophobicContact CG1-CE2 3.87Å; V130-Y140 WeakPolarHBondContact CG1-OH 3.4Å; V130-Y140 HydrophobicContact CG2-CD2 3.9Å; V130-Y140 HydrophobicContact CG2-CE2 3.4Å; V130-Y140 PolarHBondContact N-O 3.37Å; V130-Y140 VanDerWaalsContact N-O 3.09Å; V130-F142 HydrophobicContact CG2-CD2 3.93Å; V130-F142 HydrophobicContact CG2-CE2 3.87Å
131	K	93.2	Very high	93.4	Very high	87 Å²	87	61.2 Å²	61.2	38%	0.378	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	162	179.5	-59	175.8	-171.4	-179.6	0	110.5	E135 N136	K131-E135 HydrophobicContact CD-CG 4Å; K131-E135 WeakPolarHBondContact CD-OE1 3.46Å; K131-E135 WeakPolarHBondContact CE-OE1 3.4Å; K131-E135 IonicContact NZ-OE1 3.55Å; K131-E135 PolarHBondContact NZ-OE1 3.01Å; K131-N136 CarbonylContact C-O 3.57Å; K131-N136 VanDerWaalsContact CA-O 3.31Å; K131-N136 WeakPolarHBondContact CA-O 3.46Å
132	D	91.2	Very high	93.5	Very high	70 Å²	70	61.5 Å²	61.5	37%	0.374	31%	0.307	S	S	.	.			trans	-84.4	174.3	172.1	-157.4	44.6	0	0	0	110.7	A134 E135 N136 R138	D132-A134 PolarHBondContact O-N 3.15Å; D132-A134 VanDerWaalsContact O-N 3.09Å; D132-E135 WeakPolarHBondContact O-CA 3.41Å; D132-E135 PolarHBondContact O-N 3.09Å; D132-N136 PolarHBondContact N-O 2.64Å; D132-R138 HydrophobicContact CB-CG 4.24Å; D132-R138 IonicContact OD1-CZ 3.56Å; D132-R138 IonicContact OD1-NE 3.77Å; D132-R138 PolarHBondContact OD1-NE 3.41Å; D132-R138 VanDerWaalsContact OD1-NE 3.13Å; D132-R138 IonicContact OD1-NH2 3.26Å; D132-R138 PolarHBondContact OD1-NH2 3.33Å
133	K	90.1	Very high	93.5	Very high	214 Å²	214	61 Å²	61	93%	0.93	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-22	178	-63.4	-175.1	178.6	-172.6	0	113.8	E135	K133-E135 VanDerWaalsContact C-N 3.29Å
134	A	92	Very high	93.5	Very high	68 Å²	68	58.8 Å²	58.8	56%	0.562	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	17.5	174.3	0	0	0	0	0	113	D132 N136	D132-A134 PolarHBondContact O-N 3.15Å; D132-A134 VanDerWaalsContact O-N 3.09Å; A134-N136 PolarHBondContact O-N 2.87Å
135	E	88.8	Confident	93.6	Very high	122 Å²	122	58.2 Å²	58.2	57%	0.57	28%	0.284	S	S	*	.	S	Bend	trans	62.2	8.3	-180	-155.6	59.6	-167.6	0	0	115.5	K131 D132 K133	K131-E135 HydrophobicContact CD-CG 4Å; K131-E135 WeakPolarHBondContact CD-OE1 3.46Å; K131-E135 WeakPolarHBondContact CE-OE1 3.4Å; K131-E135 IonicContact NZ-OE1 3.55Å; K131-E135 PolarHBondContact NZ-OE1 3.01Å; D132-E135 WeakPolarHBondContact O-CA 3.41Å; D132-E135 PolarHBondContact O-N 3.09Å; K133-E135 VanDerWaalsContact C-N 3.29Å
136	N	91.4	Very high	93.7	Very high	103 Å²	103	57.2 Å²	57.2	55%	0.551	28%	0.281	S	S	*	.			trans	-75.9	136.1	175.6	-68.3	-52.9	0	0	0	111.3	K131 D132 A134 R138	K131-N136 CarbonylContact C-O 3.57Å; K131-N136 VanDerWaalsContact CA-O 3.31Å; K131-N136 WeakPolarHBondContact CA-O 3.46Å; D132-N136 PolarHBondContact N-O 2.64Å; A134-N136 PolarHBondContact O-N 2.87Å; N136-R138 PolarHBondContact O-N 3.13Å
137	P	92	Very high	93.8	Very high	35 Å²	35	59.4 Å²	59.4	23%	0.227	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	130.4	-179	25.9	-32.4	0	0	0	111.3	Y107 G139	Y107-P137 HydrophobicContact CD1-CG 4.31Å; Y107-P137 VanDerWaalsContact CD1-O 3.31Å; Y107-P137 WeakPolarHBondContact CD1-O 3.37Å; Y107-P137 WeakPolarHBondContact CE1-O 3.45Å; Y107-P137 WeakPolarHBondContact O-CG 3.29Å; P137-G139 PolarHBondContact O-N 2.83Å
138	R	92.3	Very high	93.8	Very high	114 Å²	114	63.2 Å²	63.2	43%	0.43	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	-4.2	178.3	-68.4	-172.4	140.6	-153.3	-0.3	113.8	V130 D132 N136 Y140	V130-R138 WeakPolarHBondContact O-CB 3.25Å; V130-R138 PolarHBondContact O-N 3.13Å; D132-R138 HydrophobicContact CB-CG 4.24Å; D132-R138 IonicContact OD1-CZ 3.56Å; D132-R138 IonicContact OD1-NE 3.77Å; D132-R138 PolarHBondContact OD1-NE 3.41Å; D132-R138 VanDerWaalsContact OD1-NE 3.13Å; D132-R138 IonicContact OD1-NH2 3.26Å; D132-R138 PolarHBondContact OD1-NH2 3.33Å; N136-R138 PolarHBondContact O-N 3.13Å; R138-Y140 HydrophobicContact CB-CD1 3.75Å; R138-Y140 HydrophobicContact CB-CE1 3.45Å; R138-Y140 VanDerWaalsContact CB-CE1 3.45Å; R138-Y140 HydrophobicContact CG-CE1 4.32Å
139	G	93.1	Very high	93.9	Very high	8 Å²	8	69.7 Å²	69.7	8%	0.082	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	78	25.4	-179.8	0	0	0	0	0	114.1	S103 R104 I105 P137	S103-G139 CarbonylContact C-O 3.43Å; R104-G139 PolarHBondContact N-O 2.82Å; I105-G139 PolarHBondContact N-O 3.36Å; I105-G139 VanDerWaalsContact N-O 3.09Å; P137-G139 PolarHBondContact O-N 2.83Å
140	Y	95	Very high	94.1	Very high	46 Å²	46	68.6 Å²	68.6	18%	0.18	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	155.6	169.4	68	-88.4	0	0	0	111.8	F101 V102 V130 R138 F142	F101-Y140 AromaticContact CE2-CD2 3.67Å; F101-Y140 HydrophobicContact CE2-CD2 3.67Å; F101-Y140 HydrophobicContact CE2-CE2 4.48Å; F101-Y140 HydrophobicContact CE2-CG 4.04Å; F101-Y140 HydrophobicContact CZ-CD2 4.47Å; F101-Y140 HydrophobicContact CZ-CG 4.44Å; V102-Y140 CarbonylContact O-C 3.48Å; V102-Y140 WeakPolarHBondContact O-CA 3.17Å; V102-Y140 WeakPolarHBondContact O-CB 3.47Å; V130-Y140 HydrophobicContact CB-CD2 4Å; V130-Y140 HydrophobicContact CB-CE1 4.35Å; V130-Y140 HydrophobicContact CB-CE2 3.47Å; V130-Y140 VanDerWaalsContact CB-CE2 3.47Å; V130-Y140 HydrophobicContact CG1-CE1 4.43Å; V130-Y140 HydrophobicContact CG1-CE2 3.87Å; V130-Y140 WeakPolarHBondContact CG1-OH 3.4Å; V130-Y140 HydrophobicContact CG2-CD2 3.9Å; V130-Y140 HydrophobicContact CG2-CE2 3.4Å; V130-Y140 PolarHBondContact N-O 3.37Å; V130-Y140 VanDerWaalsContact N-O 3.09Å; R138-Y140 HydrophobicContact CB-CD1 3.75Å; R138-Y140 HydrophobicContact CB-CE1 3.45Å; R138-Y140 VanDerWaalsContact CB-CE1 3.45Å; R138-Y140 HydrophobicContact CG-CE1 4.32Å; Y140-F142 HydrophobicContact CD2-CE2 4.12Å; Y140-F142 AromaticContact CE2-CE2 3.9Å; Y140-F142 HydrophobicContact CE2-CE2 3.9Å; Y140-F142 HydrophobicContact CE2-CZ 4.4Å
141	A	95.5	Very high	94.1	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	158.3	-177.8	0	0	0	0	0	111	V102 I105 L114 C128 M129	V102-A141 PolarHBondContact N-O 3.16Å; V102-A141 PolarHBondContact O-N 3.31Å; I105-A141 HydrophobicContact CD1-CB 3.76Å; L114-A141 HydrophobicContact CD2-CB 3.52Å; C128-A141 CarbonylContact O-C 3.55Å; C128-A141 VanDerWaalsContact O-CA 3.27Å; C128-A141 WeakPolarHBondContact O-CA 3.37Å; M129-A141 HydrophobicContact CB-CB 4.38Å
142	F	96.4	Very high	94.3	Very high	55 Å²	55	67.4 Å²	67.4	24%	0.241	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	126.9	170.4	-62.5	-84.3	0	0	0	108.9	T99 L100 F101 C128 V130 Y140 E173	T99-F142 HydrophobicContact CG2-CB 3.86Å; T99-F142 HydrophobicContact CG2-CD1 4Å; T99-F142 HydrophobicContact CG2-CG 4.4Å; L100-F142 CarbonylContact O-C 3.56Å; L100-F142 WeakPolarHBondContact O-CA 3.38Å; F101-F142 HydrophobicContact CB-CD1 4.47Å; F101-F142 HydrophobicContact CB-CE1 4.39Å; F101-F142 HydrophobicContact CD2-CD1 4.09Å; F101-F142 AromaticContact CD2-CE1 3.55Å; F101-F142 HydrophobicContact CD2-CE1 3.55Å; F101-F142 AromaticContact CD2-CZ 3.87Å; F101-F142 HydrophobicContact CD2-CZ 3.87Å; F101-F142 HydrophobicContact CE2-CE1 4.33Å; F101-F142 HydrophobicContact CE2-CZ 4.2Å; F101-F142 HydrophobicContact CG-CE1 4.41Å; C128-F142 HydrophobicContact CB-CB 4.38Å; C128-F142 PolarHBondContact N-O 3.09Å; C128-F142 PolarHBondContact O-N 3.37Å; V130-F142 HydrophobicContact CG2-CD2 3.93Å; V130-F142 HydrophobicContact CG2-CE2 3.87Å; Y140-F142 HydrophobicContact CD2-CE2 4.12Å; Y140-F142 AromaticContact CE2-CE2 3.9Å; Y140-F142 HydrophobicContact CE2-CE2 3.9Å; Y140-F142 HydrophobicContact CE2-CZ 4.4Å; F142-E173 HydrophobicContact CD1-CG 4.05Å; F142-E173 HydrophobicContact CE1-CG 3.91Å
143	L	96.2	Very high	94.5	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	116.5	-178.1	-52.7	-178.3	0	0	0	109	T99 L100 V102 L114 F118 L124 V127 F145	T99-L143 CarbonylContact C-O 3.55Å; T99-L143 WeakPolarHBondContact CA-O 2.97Å; L100-L143 HydrophobicContact CB-CB 4.27Å; L100-L143 PolarHBondContact N-O 2.64Å; L100-L143 PolarHBondContact O-N 2.95Å; V102-L143 HydrophobicContact CG2-CD1 3.69Å; V102-L143 HydrophobicContact CG2-CG 4.15Å; L114-L143 HydrophobicContact CD2-CD2 3.89Å; L114-L143 HydrophobicContact CG-CD2 4.34Å; F118-L143 HydrophobicContact CB-CD1 3.67Å; F118-L143 HydrophobicContact CD1-CD1 3.64Å; F118-L143 HydrophobicContact CD2-CD1 3.49Å; F118-L143 VanDerWaalsContact CD2-CD1 3.49Å; F118-L143 HydrophobicContact CE1-CD1 4.13Å; F118-L143 HydrophobicContact CE2-CD1 4Å; F118-L143 HydrophobicContact CG-CD1 3.29Å; F118-L143 HydrophobicContact CZ-CD1 4.3Å; L124-L143 HydrophobicContact CD2-CB 3.99Å; V127-L143 HydrophobicContact CB-CD2 4.12Å; V127-L143 HydrophobicContact CG1-CD2 3.57Å; V127-L143 HydrophobicContact CG2-CD2 3.9Å; L143-F145 HydrophobicContact CB-CE2 4.47Å
144	E	96.4	Very high	94.8	Very high	4 Å²	4	55.5 Å²	55.5	2%	0.019	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	120.5	173.4	-160.7	170.9	-161.3	0	0	110	T93 S94 D95 L124 K125 K126	T93-E144 HydrophobicContact CG2-CB 3.28Å; T93-E144 HydrophobicContact CG2-CG 3.21Å; T93-E144 WeakPolarHBondContact CG2-OE1 3.31Å; T93-E144 WeakPolarHBondContact CG2-OE2 3.31Å; S94-E144 WeakPolarHBondContact CB-OE1 3.3Å; S94-E144 PolarHBondContact N-OE1 3.14Å; S94-E144 PolarHBondContact OG-OE1 2.85Å; D95-E144 PolarHBondContact N-OE1 3.03Å; L124-E144 CarbonylContact C-O 3.47Å; L124-E144 WeakPolarHBondContact CA-O 3.5Å; K125-E144 HydrophobicContact CB-CB 4.18Å; K125-E144 HydrophobicContact CB-CG 4.11Å; K125-E144 HydrophobicContact CD-CG 4.3Å; K125-E144 PolarHBondContact N-O 3.38Å; K125-E144 IonicContact NZ-OE1 3.33Å; K126-E144 HydrophobicContact CB-CB 3.94Å; K126-E144 PolarHBondContact N-O 2.94Å; K126-E144 PolarHBondContact O-N 2.72Å
145	F	97.3	Very high	94.9	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	154.1	167.6	-72.3	-91.7	0	0	0	110.5	K98 L100 F118 L124 L143 R147 D150 M151 A154	K98-F145 WeakPolarHBondContact CB-O 3.33Å; K98-F145 PolarHBondContact O-N 3.22Å; L100-F145 HydrophobicContact CB-CD2 4.47Å; L100-F145 HydrophobicContact CB-CE2 4.01Å; L100-F145 HydrophobicContact CD2-CE2 4.03Å; F118-F145 HydrophobicContact CB-CZ 4.42Å; L124-F145 HydrophobicContact CD2-CD1 3.8Å; L124-F145 HydrophobicContact CD2-CD2 4.01Å; L124-F145 HydrophobicContact CD2-CE1 3.62Å; L124-F145 HydrophobicContact CD2-CE2 3.83Å; L124-F145 HydrophobicContact CD2-CG 4Å; L124-F145 HydrophobicContact CD2-CZ 3.65Å; L124-F145 HydrophobicContact CG-CE1 4.31Å; L143-F145 HydrophobicContact CB-CE2 4.47Å; F145-R147 VanDerWaalsContact C-N 3.3Å; F145-D150 HydrophobicContact CB-CB 4.41Å; F145-D150 HydrophobicContact CD1-CB 3.83Å; F145-D150 HydrophobicContact CE1-CB 4.5Å; F145-D150 HydrophobicContact CG-CB 4.33Å; F145-M151 HydrophobicContact CB-CB 4.2Å; F145-M151 HydrophobicContact CD2-CB 3.74Å; F145-M151 HydrophobicContact CD2-CG 4.07Å; F145-M151 HydrophobicContact CE2-CB 4.48Å; F145-M151 HydrophobicContact CG-CB 4.17Å; F145-A154 HydrophobicContact CE2-CB 4.01Å; F145-A154 HydrophobicContact CZ-CB 3.72Å
146	E	96.4	Very high	95.2	Very high	102 Å²	102	58.2 Å²	58.2	48%	0.477	26%	0.262	S	S	.	.	S	Bend	trans	-66.2	-36.6	171.8	-65.7	-170.7	164	0	0	112.1	K98 P123 K125	K98-E146 PolarHBondContact NZ-O 3.03Å; K98-E146 VanDerWaalsContact NZ-O 3.1Å; P123-E146 HydrophobicContact CB-CG 4.13Å; P123-E146 HydrophobicContact CG-CB 4.15Å; P123-E146 HydrophobicContact CG-CG 4.04Å; P123-E146 WeakPolarHBondContact CG-OE2 3.48Å; P123-E146 PolarHBondContact O-N 2.87Å; K125-E146 HydrophobicContact CB-CG 4.27Å
147	R	96.2	Very high	95.4	Very high	125 Å²	125	59.8 Å²	59.8	47%	0.472	27%	0.265	S	S	.	.	S	Bend	trans	-119.3	137	-176.1	-48.8	-178.1	-176	-142.7	2.1	110.6	F145 R149 D150 M151	F145-R147 VanDerWaalsContact C-N 3.3Å; R147-R149 VanDerWaalsContact C-N 3.28Å; R147-R149 HydrophobicContact CB-CG 4.08Å; R147-R149 VanDerWaalsContact NH1-CZ 3.3Å; R147-R149 PolarHBondContact O-N 3.46Å; R147-D150 WeakPolarHBondContact CB-OD2 3.49Å; R147-D150 PolarHBondContact O-N 3.43Å; R147-M151 PolarHBondContact O-N 3.32Å
148	E	95.5	Very high	95.4	Very high	93 Å²	93	58.1 Å²	58.1	44%	0.435	26%	0.255	S	S	.	.	H	α-helix	trans	-61.9	-34.7	178.4	178.9	179	177.6	0	0	112.9	K98 D150 M151 H152	K98-E148 HydrophobicContact CG-CB 4.22Å; E148-D150 VanDerWaalsContact C-N 3.27Å; E148-D150 PolarHBondContact O-N 3.16Å; E148-M151 WeakPolarHBondContact O-CB 3.41Å; E148-M151 PolarHBondContact O-N 2.77Å; E148-H152 VanDerWaalsContact CG-CE1 3.49Å; E148-H152 WeakPolarHBondContact CG-CE1 3.36Å; E148-H152 WeakPolarHBondContact CG-ND1 3.5Å; E148-H152 PolarHBondContact O-N 2.92Å; E148-H152 PolarHBondContact O-ND1 3.11Å; E148-H152 IonicContact OE1-CE1 2.72Å; E148-H152 PolarHBondContact OE1-CE1 2.85Å
149	R	96.2	Very high	95.5	Very high	159 Å²	159	57.2 Å²	57.2	60%	0.6	26%	0.258	S	S	*	.	H	α-helix	trans	-61.9	-35.2	177.8	75.1	-169.2	-174.1	173.5	6.7	112.6	R147 H152 A153	R147-R149 VanDerWaalsContact C-N 3.28Å; R147-R149 HydrophobicContact CB-CG 4.08Å; R147-R149 VanDerWaalsContact NH1-CZ 3.3Å; R147-R149 PolarHBondContact O-N 3.46Å; R149-H152 PolarHBondContact O-N 2.92Å; R149-A153 PolarHBondContact O-N 3.1Å
150	D	96.4	Very high	95.3	Very high	17 Å²	17	57.8 Å²	57.8	9%	0.091	26%	0.264	C	S	.	.	H	α-helix	trans	-74.6	-37.9	-178	-56.1	-13.8	0	0	0	109.3	F145 R147 E148 A153 A154	F145-D150 HydrophobicContact CB-CB 4.41Å; F145-D150 HydrophobicContact CD1-CB 3.83Å; F145-D150 HydrophobicContact CE1-CB 4.5Å; F145-D150 HydrophobicContact CG-CB 4.33Å; R147-D150 WeakPolarHBondContact CB-OD2 3.49Å; R147-D150 PolarHBondContact O-N 3.43Å; E148-D150 VanDerWaalsContact C-N 3.27Å; E148-D150 PolarHBondContact O-N 3.16Å; D150-A153 PolarHBondContact O-N 3.26Å; D150-A154 PolarHBondContact O-N 3.24Å
151	M	95.6	Very high	95.2	Very high	4 Å²	4	59.1 Å²	59.1	2%	0.02	27%	0.269	C	S	.	.	H	α-helix	trans	-58.5	-47.7	169.4	-172.9	-74.2	-77.1	0	0	111.3	Y97 L100 F145 R147 E148 A153 A154 Y155 V172	Y97-M151 WeakPolarHBondContact O-CE 3.49Å; L100-M151 HydrophobicContact CB-CG 4.14Å; L100-M151 HydrophobicContact CD1-CG 4.12Å; L100-M151 HydrophobicContact CD1-SD 3.77Å; F145-M151 HydrophobicContact CB-CB 4.2Å; F145-M151 HydrophobicContact CD2-CB 3.74Å; F145-M151 HydrophobicContact CD2-CG 4.07Å; F145-M151 HydrophobicContact CE2-CB 4.48Å; F145-M151 HydrophobicContact CG-CB 4.17Å; R147-M151 PolarHBondContact O-N 3.32Å; E148-M151 WeakPolarHBondContact O-CB 3.41Å; E148-M151 PolarHBondContact O-N 2.77Å; M151-A153 VanDerWaalsContact C-N 3.34Å; M151-A153 PolarHBondContact O-N 3.31Å; M151-A154 WeakPolarHBondContact O-CB 3.26Å; M151-A154 PolarHBondContact O-N 3.32Å; M151-Y155 PolarHBondContact O-N 3.13Å; M151-V172 HydrophobicContact CE-CG1 4.08Å; M151-V172 HydrophobicContact SD-CG1 4.07Å
152	H	95.8	Very high	95.1	Very high	76 Å²	76	66.5 Å²	66.5	35%	0.352	30%	0.301	S	S	.	.	H	α-helix	trans	-64.5	-36.3	178.1	-78	89.2	0	0	0	113.1	E148 R149 Y155 K156	E148-H152 VanDerWaalsContact CG-CE1 3.49Å; E148-H152 WeakPolarHBondContact CG-CE1 3.36Å; E148-H152 WeakPolarHBondContact CG-ND1 3.5Å; E148-H152 PolarHBondContact O-N 2.92Å; E148-H152 PolarHBondContact O-ND1 3.11Å; E148-H152 IonicContact OE1-CE1 2.72Å; E148-H152 PolarHBondContact OE1-CE1 2.85Å; R149-H152 PolarHBondContact O-N 2.92Å; H152-Y155 PolarHBondContact O-N 3.47Å; H152-K156 WeakPolarHBondContact O-CG 3.44Å; H152-K156 PolarHBondContact O-N 2.7Å; H152-K156 VanDerWaalsContact O-N 3.14Å
153	A	95.7	Very high	94.9	Very high	34 Å²	34	64.1 Å²	64.1	28%	0.281	29%	0.291	S	S	.	.	H	α-helix	trans	-63.8	-45.5	173.2	0	0	0	0	0	110.9	R149 D150 M151 Y155 K156 H157	R149-A153 PolarHBondContact O-N 3.1Å; D150-A153 PolarHBondContact O-N 3.26Å; M151-A153 VanDerWaalsContact C-N 3.34Å; M151-A153 PolarHBondContact O-N 3.31Å; A153-Y155 VanDerWaalsContact C-N 3.35Å; A153-Y155 PolarHBondContact O-N 2.57Å; A153-K156 PolarHBondContact O-N 3.25Å; A153-H157 WeakPolarHBondContact O-CB 3.48Å; A153-H157 PolarHBondContact O-CD2 2.91Å; A153-H157 PolarHBondContact O-N 2.88Å
154	A	95.9	Very high	94.7	Very high	0 Å²	0	67.1 Å²	67.1	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-61.1	-42	174.9	0	0	0	0	0	111.8	L100 Y121 F145 D150 M151 K156 H157 A158	L100-A154 HydrophobicContact CD2-CB 3.71Å; Y121-A154 HydrophobicContact CD1-CB 4.49Å; Y121-A154 HydrophobicContact CD2-CB 3.73Å; Y121-A154 HydrophobicContact CE2-CB 4.4Å; Y121-A154 HydrophobicContact CG-CB 3.78Å; F145-A154 HydrophobicContact CE2-CB 4.01Å; F145-A154 HydrophobicContact CZ-CB 3.72Å; D150-A154 PolarHBondContact O-N 3.24Å; M151-A154 WeakPolarHBondContact O-CB 3.26Å; M151-A154 PolarHBondContact O-N 3.32Å; A154-K156 VanDerWaalsContact C-N 3.33Å; A154-K156 PolarHBondContact O-N 2.94Å; A154-H157 PolarHBondContact O-N 3.15Å; A154-A158 WeakPolarHBondContact O-CA 3.33Å; A154-A158 WeakPolarHBondContact O-CB 3.42Å; A154-A158 PolarHBondContact O-N 3.01Å
155	Y	95.5	Very high	94.5	Very high	89 Å²	89	69.6 Å²	69.6	35%	0.349	33%	0.334	S	S	.	.	H	α-helix	trans	-58.3	-41.9	176.1	174.8	-107.4	0	0	0	112.7	M151 H152 A153 V172	M151-Y155 PolarHBondContact O-N 3.13Å; H152-Y155 PolarHBondContact O-N 3.47Å; A153-Y155 VanDerWaalsContact C-N 3.35Å; A153-Y155 PolarHBondContact O-N 2.57Å; Y155-V172 HydrophobicContact CD2-CG1 4.1Å; Y155-V172 HydrophobicContact CE2-CG1 4.36Å; Y155-V172 HydrophobicContact CG-CG1 4.3Å
156	K	94.8	Very high	94.2	Very high	159 Å²	159	75.7 Å²	75.7	69%	0.691	36%	0.357	S	S	*	.	H	α-helix	trans	-73.9	-34.5	-179.9	-71.4	-179.3	-179.1	-179.3	0	113.8	H152 A153 A154	H152-K156 WeakPolarHBondContact O-CG 3.44Å; H152-K156 PolarHBondContact O-N 2.7Å; H152-K156 VanDerWaalsContact O-N 3.14Å; A153-K156 PolarHBondContact O-N 3.25Å; A154-K156 VanDerWaalsContact C-N 3.33Å; A154-K156 PolarHBondContact O-N 2.94Å
157	H	94.3	Very high	94.1	Very high	135 Å²	135	79.6 Å²	79.6	63%	0.625	37%	0.367	S	S	*	.	H	α-helix	trans	-110.9	-19	-167.6	-64.5	-62.6	0	0	0	114.8	Y121 A153 A154	Y121-H157 HydrophobicContact CD1-CB 4.46Å; Y121-H157 HydrophobicContact CE1-CB 3.59Å; Y121-H157 PolarHBondContact OH-O 3.36Å; A153-H157 WeakPolarHBondContact O-CB 3.48Å; A153-H157 PolarHBondContact O-CD2 2.91Å; A153-H157 PolarHBondContact O-N 2.88Å; A154-H157 PolarHBondContact O-N 3.15Å
158	A	93.7	Very high	93.9	Very high	0 Å²	0	73.8 Å²	73.8	0%	0	35%	0.345	C	S	.	.	S	Bend	trans	-92.5	-13.2	-177.3	0	0	0	0	0	113.5	F118 Y121 A154 G160 R161 V170	F118-A158 HydrophobicContact CD1-CB 4.34Å; F118-A158 HydrophobicContact CE1-CB 3.61Å; F118-A158 HydrophobicContact CZ-CB 4.26Å; Y121-A158 HydrophobicContact CE2-CB 3.68Å; Y121-A158 WeakPolarHBondContact OH-CA 3.07Å; A154-A158 WeakPolarHBondContact O-CA 3.33Å; A154-A158 WeakPolarHBondContact O-CB 3.42Å; A154-A158 PolarHBondContact O-N 3.01Å; A158-G160 PolarHBondContact O-N 3.1Å; A158-R161 WeakPolarHBondContact O-CB 3.43Å; A158-R161 PolarHBondContact O-N 3.32Å; A158-R161 VanDerWaalsContact O-N 3.13Å; A158-V170 HydrophobicContact CB-CG2 3.97Å
159	D	92.7	Very high	93.9	Very high	96 Å²	96	71.6 Å²	71.6	51%	0.513	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	130.3	178.9	-169.7	43.7	0	0	0	111.4	R161 L169 V170	D159-R161 VanDerWaalsContact C-N 3.26Å; D159-R161 PolarHBondContact O-N 3.13Å; D159-L169 WeakPolarHBondContact OD1-CA 3.48Å; D159-V170 HydrophobicContact CB-CB 4.23Å; D159-V170 PolarHBondContact OD1-N 2.64Å
160	G	90.7	Very high	93.8	Very high	20 Å²	20	64.4 Å²	64.4	21%	0.206	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.2	5.5	-176.7	0	0	0	0	0	115.5	A158 R167 V168	A158-G160 PolarHBondContact O-N 3.1Å; G160-R167 PolarHBondContact O-NE 3.1Å; G160-R167 VanDerWaalsContact O-NE 3.11Å; G160-V168 VanDerWaalsContact CA-O 3.29Å; G160-V168 WeakPolarHBondContact CA-O 3.37Å; G160-V168 PolarHBondContact N-O 2.68Å
161	R	91.4	Very high	93.8	Very high	74 Å²	74	64.5 Å²	64.5	28%	0.279	31%	0.31	S	S	.	.			trans	-61.4	140.1	176.5	-170.4	164.9	-173.6	-138.5	-5.9	111.2	E117 A158 D159 R167 V168	E117-R161 PolarHBondContact O-NH1 3.02Å; E117-R161 IonicContact OE2-CZ 3.38Å; E117-R161 IonicContact OE2-NH1 2.57Å; E117-R161 PolarHBondContact OE2-NH1 3.27Å; E117-R161 IonicContact OE2-NH2 3.47Å; E117-R161 PolarHBondContact OE2-NH2 3.5Å; A158-R161 WeakPolarHBondContact O-CB 3.43Å; A158-R161 PolarHBondContact O-N 3.32Å; A158-R161 VanDerWaalsContact O-N 3.13Å; D159-R161 VanDerWaalsContact C-N 3.26Å; D159-R161 PolarHBondContact O-N 3.13Å; R161-R167 WeakPolarHBondContact O-CA 3.5Å; R161-V168 HydrophobicContact CB-CG2 4.22Å; R161-V168 WeakPolarHBondContact O-CG2 3.24Å; R161-V168 PolarHBondContact O-N 3.23Å
162	K	93.7	Very high	93.7	Very high	155 Å²	155	65.9 Å²	65.9	67%	0.674	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.9	112.8	-177.1	-167.8	176.3	178.1	-177.5	0	110.3	R166	K162-R166 CarbonylContact C-O 3.59Å; K162-R166 WeakPolarHBondContact CA-O 3.37Å
163	I	92.6	Very high	93.7	Very high	5 Å²	5	62.9 Å²	62.9	3%	0.026	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	124.9	175	-53.1	-178.9	0	0	0	107.3	T109 L114 E117 F118 G165 R166 V168	T109-I163 HydrophobicContact CG2-CG2 3.91Å; L114-I163 HydrophobicContact CD1-CD1 4.25Å; E117-I163 HydrophobicContact CB-CD1 4.26Å; E117-I163 HydrophobicContact CG-CD1 4.22Å; E117-I163 HydrophobicContact CG-CG1 4.47Å; F118-I163 HydrophobicContact CE2-CD1 4.05Å; I163-G165 PolarHBondContact O-N 2.92Å; I163-G165 VanDerWaalsContact O-N 3.15Å; I163-R166 PolarHBondContact N-O 3.21Å; I163-R166 PolarHBondContact O-N 2.81Å; I163-R166 VanDerWaalsContact O-O 3.1Å; I163-V168 HydrophobicContact CB-CG1 4.26Å; I163-V168 HydrophobicContact CD1-CG1 3.92Å; I163-V168 HydrophobicContact CD1-CG2 4.24Å; I163-V168 HydrophobicContact CG1-CG1 4.16Å
164	D	92.3	Very high	93.6	Very high	63 Å²	63	64.2 Å²	64.2	34%	0.337	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.1	42.2	-179.9	-65.8	-45.1	0	0	0	113.9	T109 K113 R166	T109-D164 WeakPolarHBondContact CB-OD2 3.03Å; T109-D164 PolarHBondContact OG1-OD2 2.84Å; K113-D164 WeakPolarHBondContact CD-OD2 3.45Å; K113-D164 WeakPolarHBondContact CE-OD1 3.48Å; K113-D164 WeakPolarHBondContact CE-OD2 3.33Å; K113-D164 IonicContact NZ-OD1 3.99Å; K113-D164 PolarHBondContact NZ-OD1 3.03Å; K113-D164 IonicContact NZ-OD2 2.7Å; K113-D164 PolarHBondContact NZ-OD2 3.34Å; D164-R166 PolarHBondContact O-N 2.91Å
165	G	91.2	Very high	93.4	Very high	56 Å²	56	65.1 Å²	65.1	58%	0.577	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.8	-10.3	179.3	0	0	0	0	0	115.2	I163	I163-G165 PolarHBondContact O-N 2.92Å; I163-G165 VanDerWaalsContact O-N 3.15Å
166	R	92.4	Very high	93.1	Very high	128 Å²	128	63.5 Å²	63.5	48%	0.483	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	141.9	-178.4	-59.1	-177.1	83.7	94.7	-2.5	111.5	K162 I163 D164	K162-R166 CarbonylContact C-O 3.59Å; K162-R166 WeakPolarHBondContact CA-O 3.37Å; I163-R166 PolarHBondContact N-O 3.21Å; I163-R166 PolarHBondContact O-N 2.81Å; I163-R166 VanDerWaalsContact O-O 3.1Å; D164-R166 PolarHBondContact O-N 2.91Å
167	R	93	Very high	93	Very high	183 Å²	183	57.7 Å²	57.7	69%	0.691	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.7	115.8	172.6	-58.7	-175.9	90	179.1	9.9	108.9	G160 R161	G160-R167 PolarHBondContact O-NE 3.1Å; G160-R167 VanDerWaalsContact O-NE 3.11Å; R161-R167 WeakPolarHBondContact O-CA 3.5Å
168	V	93.5	Very high	92.9	Very high	3 Å²	3	54 Å²	54	2%	0.018	27%	0.27	C	S	.	.			trans	-75	150.3	176.8	-60.8	0	0	0	0	110.3	V102 S103 I105 G160 R161 I163 V170	V102-V168 HydrophobicContact CG1-CB 4Å; V102-V168 HydrophobicContact CG1-CG1 4.36Å; V102-V168 HydrophobicContact CG1-CG2 4.28Å; S103-V168 WeakPolarHBondContact O-CA 3.42Å; I105-V168 HydrophobicContact CG1-CG1 4.33Å; G160-V168 VanDerWaalsContact CA-O 3.29Å; G160-V168 WeakPolarHBondContact CA-O 3.37Å; G160-V168 PolarHBondContact N-O 2.68Å; R161-V168 HydrophobicContact CB-CG2 4.22Å; R161-V168 WeakPolarHBondContact O-CG2 3.24Å; R161-V168 PolarHBondContact O-N 3.23Å; I163-V168 HydrophobicContact CB-CG1 4.26Å; I163-V168 HydrophobicContact CD1-CG1 3.92Å; I163-V168 HydrophobicContact CD1-CG2 4.24Å; I163-V168 HydrophobicContact CG1-CG1 4.16Å; V168-V170 HydrophobicContact CG2-CG2 4.16Å
169	L	93.7	Very high	92.8	Very high	48 Å²	48	64.2 Å²	64.2	25%	0.251	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	130.3	170	176.4	157.3	0	0	0	107.8	V102 S103 R104 D159 D171	V102-L169 CarbonylContact C-O 3.59Å; V102-L169 WeakPolarHBondContact CA-O 3.48Å; S103-L169 PolarHBondContact N-O 3.37Å; S103-L169 PolarHBondContact O-N 2.94Å; S103-L169 WeakPolarHBondContact OG-CB 3.42Å; S103-L169 WeakPolarHBondContact OG-CD2 3.42Å; S103-L169 PolarHBondContact OG-O 3.09Å; R104-L169 HydrophobicContact CG-CB 4.31Å; D159-L169 WeakPolarHBondContact OD1-CA 3.48Å; L169-D171 HydrophobicContact CD2-CB 4.37Å
170	V	95.1	Very high	92.7	Very high	7 Å²	7	63.1 Å²	63.1	4%	0.042	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	135	-177.9	179.1	0	0	0	0	109.2	L100 F101 V102 F118 A158 D159 V168	L100-V170 HydrophobicContact CD1-CG1 3.56Å; L100-V170 HydrophobicContact CD2-CG1 3.59Å; L100-V170 HydrophobicContact CG-CG1 3.63Å; F101-V170 CarbonylContact O-C 3.44Å; F101-V170 WeakPolarHBondContact O-CA 3.25Å; V102-V170 HydrophobicContact CG1-CG2 4.44Å; V102-V170 HydrophobicContact CG2-CG2 4.46Å; F118-V170 HydrophobicContact CE1-CG2 4.18Å; F118-V170 HydrophobicContact CZ-CG2 4.09Å; A158-V170 HydrophobicContact CB-CG2 3.97Å; D159-V170 HydrophobicContact CB-CB 4.23Å; D159-V170 PolarHBondContact OD1-N 2.64Å; V168-V170 HydrophobicContact CG2-CG2 4.16Å
171	D	95.2	Very high	92.8	Very high	19 Å²	19	65 Å²	65	10%	0.102	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	167.2	176.4	-156.5	-4.5	0	0	0	110.1	F101 L169 R174	F101-D171 WeakPolarHBondContact CA-O 3.46Å; F101-D171 HydrophobicContact CB-CB 4.46Å; F101-D171 WeakPolarHBondContact CB-O 3.48Å; F101-D171 HydrophobicContact CD1-CB 4.01Å; F101-D171 PolarHBondContact N-O 2.97Å; F101-D171 PolarHBondContact O-N 2.82Å; L169-D171 HydrophobicContact CD2-CB 4.37Å; D171-R174 IonicContact OD1-CZ 3.29Å; D171-R174 IonicContact OD1-NE 2.81Å; D171-R174 PolarHBondContact OD1-NE 3.19Å; D171-R174 IonicContact OD1-NH2 3.64Å; D171-R174 PolarHBondContact OD1-NH2 2.84Å; D171-R174 IonicContact OD2-CZ 3.47Å; D171-R174 IonicContact OD2-NE 3.51Å; D171-R174 PolarHBondContact OD2-NE 2.75Å; D171-R174 IonicContact OD2-NH2 2.84Å
172	V	95	Very high	92.8	Very high	33 Å²	33	64.1 Å²	64.1	20%	0.2	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	157.2	168.3	-63.2	0	0	0	0	110.4	M151 Y155 R174	M151-V172 HydrophobicContact CE-CG1 4.08Å; M151-V172 HydrophobicContact SD-CG1 4.07Å; Y155-V172 HydrophobicContact CD2-CG1 4.1Å; Y155-V172 HydrophobicContact CE2-CG1 4.36Å; Y155-V172 HydrophobicContact CG-CG1 4.3Å; V172-R174 HydrophobicContact CG2-CG 4.2Å; V172-R174 PolarHBondContact O-N 2.69Å
173	E	94.4	Very high	92.7	Very high	14 Å²	14	58.2 Å²	58.2	7%	0.065	31%	0.305	C	S	.	.			trans	-71	95.9	176.6	-166.2	-152.3	139.2	0	0	112.1	T99 F142 G175 R176 T177	T99-E173 VanDerWaalsContact CB-OE2 3.23Å; T99-E173 WeakPolarHBondContact CB-OE2 3.25Å; T99-E173 HydrophobicContact CG2-CB 3.93Å; T99-E173 HydrophobicContact CG2-CG 4.2Å; T99-E173 WeakPolarHBondContact CG2-OE2 3.41Å; T99-E173 WeakPolarHBondContact O-CB 3.46Å; T99-E173 PolarHBondContact O-N 2.85Å; T99-E173 VanDerWaalsContact O-N 3.16Å; T99-E173 PolarHBondContact OG1-OE2 3.42Å; F142-E173 HydrophobicContact CD1-CG 4.05Å; F142-E173 HydrophobicContact CE1-CG 3.91Å; E173-G175 VanDerWaalsContact C-N 3.34Å; E173-G175 PolarHBondContact O-N 2.88Å; E173-R176 WeakPolarHBondContact OE1-CG 3.48Å; E173-R176 IonicContact OE1-CZ 3.88Å; E173-R176 IonicContact OE1-NE 3.47Å; E173-R176 PolarHBondContact OE1-NE 2.9Å; E173-R176 IonicContact OE1-NH2 2.7Å; E173-R176 PolarHBondContact OE1-NH2 3.32Å; E173-R176 IonicContact OE2-CZ 3.5Å; E173-R176 IonicContact OE2-NE 2.72Å; E173-R176 IonicContact OE2-NH2 3.51Å; E173-R176 PolarHBondContact OE2-NH2 3.06Å; E173-T177 WeakPolarHBondContact O-CB 3.39Å; E173-T177 VanDerWaalsContact O-CG2 3.29Å; E173-T177 WeakPolarHBondContact O-CG2 3.36Å; E173-T177 PolarHBondContact O-OG1 3.3Å
174	R	93.5	Very high	92.6	Very high	62 Å²	62	62 Å²	62	23%	0.234	32%	0.319	C	S	.	.	H	α-helix	trans	-77	-17.6	-178.8	-62.1	-179.5	-175.8	-80.5	-10.2	114.8	D171 V172 R176 T177 V178 W181	D171-R174 IonicContact OD1-CZ 3.29Å; D171-R174 IonicContact OD1-NE 2.81Å; D171-R174 PolarHBondContact OD1-NE 3.19Å; D171-R174 IonicContact OD1-NH2 3.64Å; D171-R174 PolarHBondContact OD1-NH2 2.84Å; D171-R174 IonicContact OD2-CZ 3.47Å; D171-R174 IonicContact OD2-NE 3.51Å; D171-R174 PolarHBondContact OD2-NE 2.75Å; D171-R174 IonicContact OD2-NH2 2.84Å; V172-R174 HydrophobicContact CG2-CG 4.2Å; V172-R174 PolarHBondContact O-N 2.69Å; R174-R176 VanDerWaalsContact C-N 3.32Å; R174-R176 PolarHBondContact O-N 2.74Å; R174-T177 WeakPolarHBondContact CA-OG1 3.25Å; R174-V178 HydrophobicContact CB-CB 4.24Å; R174-V178 HydrophobicContact CB-CG2 3.95Å; R174-V178 HydrophobicContact CG-CG2 3.9Å; R174-V178 PolarHBondContact O-N 3.17Å; R174-V178 VanDerWaalsContact O-N 3.15Å; R174-W181 HydrophobicContact CB-CD2 3.52Å; R174-W181 HydrophobicContact CB-CE3 3.88Å; R174-W181 HydrophobicContact CB-CG 3.84Å; R174-W181 HydrophobicContact CB-CH2 4.32Å; R174-W181 HydrophobicContact CB-CZ2 4.04Å; R174-W181 HydrophobicContact CB-CZ3 4.26Å; R174-W181 HydrophobicContact CG-CE3 4.44Å; R174-W181 HydrophobicContact CG-CZ3 4.45Å; R174-W181 WeakPolarHBondContact O-CB 3.44Å
175	G	91.6	Very high	92.4	Very high	18 Å²	18	65.3 Å²	65.3	19%	0.186	33%	0.327	C	S	.	.	H	α-helix	trans	-55.8	-43.2	-174.5	0	0	0	0	0	113.8	P86 E173	P86-G175 VanDerWaalsContact CG-O 3.24Å; P86-G175 WeakPolarHBondContact CG-O 3.06Å; E173-G175 VanDerWaalsContact C-N 3.34Å; E173-G175 PolarHBondContact O-N 2.88Å
176	R	91.1	Very high	92.3	Very high	55 Å²	55	62.9 Å²	62.9	21%	0.208	30%	0.3	C	S	.	.	H	α-helix	trans	-111.5	-13.5	-177.2	-63.1	179.7	-69.9	169	2.2	113.7	P86 N87 T93 P96 E173 R174	P86-R176 HydrophobicContact CB-CG 3.96Å; P86-R176 HydrophobicContact CG-CG 4.31Å; N87-R176 WeakPolarHBondContact OD1-CG 3.2Å; T93-R176 PolarHBondContact O-NH1 3.02Å; T93-R176 PolarHBondContact O-NH2 3.09Å; P96-R176 HydrophobicContact CB-CB 3.8Å; P96-R176 HydrophobicContact CG-CB 4.26Å; E173-R176 WeakPolarHBondContact OE1-CG 3.48Å; E173-R176 IonicContact OE1-CZ 3.88Å; E173-R176 IonicContact OE1-NE 3.47Å; E173-R176 PolarHBondContact OE1-NE 2.9Å; E173-R176 IonicContact OE1-NH2 2.7Å; E173-R176 PolarHBondContact OE1-NH2 3.32Å; E173-R176 IonicContact OE2-CZ 3.5Å; E173-R176 IonicContact OE2-NE 2.72Å; E173-R176 IonicContact OE2-NH2 3.51Å; E173-R176 PolarHBondContact OE2-NH2 3.06Å; R174-R176 VanDerWaalsContact C-N 3.32Å; R174-R176 PolarHBondContact O-N 2.74Å
177	T	92	Very high	92	Very high	38 Å²	38	60.1 Å²	60.1	23%	0.233	31%	0.312	C	S	.	.	H	α-helix	trans	-95.5	-35.4	-177.6	59.7	0	0	0	0	113.9	P96 Y97 E173 R174	P96-T177 HydrophobicContact CB-CG2 3.85Å; P96-T177 HydrophobicContact CG-CG2 4.41Å; Y97-T177 HydrophobicContact CD1-CG2 3.99Å; Y97-T177 HydrophobicContact CE1-CG2 3.89Å; Y97-T177 HydrophobicContact CG-CG2 4.45Å; E173-T177 WeakPolarHBondContact O-CB 3.39Å; E173-T177 VanDerWaalsContact O-CG2 3.29Å; E173-T177 WeakPolarHBondContact O-CG2 3.36Å; E173-T177 PolarHBondContact O-OG1 3.3Å; R174-T177 WeakPolarHBondContact CA-OG1 3.25Å
178	V	93	Very high	91.8	Very high	57 Å²	57	52.9 Å²	52.9	35%	0.345	29%	0.294	S	S	.	.	S	Bend	trans	-100.1	116.9	-172.1	178	0	0	0	0	110.6	R174 G180 W181	R174-V178 HydrophobicContact CB-CB 4.24Å; R174-V178 HydrophobicContact CB-CG2 3.95Å; R174-V178 HydrophobicContact CG-CG2 3.9Å; R174-V178 PolarHBondContact O-N 3.17Å; R174-V178 VanDerWaalsContact O-N 3.15Å; V178-G180 PolarHBondContact O-N 3.44Å; V178-W181 HydrophobicContact CB-CB 4.05Å; V178-W181 HydrophobicContact CG1-CB 4.25Å; V178-W181 VanDerWaalsContact O-CB 3.26Å; V178-W181 WeakPolarHBondContact O-CB 2.81Å; V178-W181 PolarHBondContact O-N 2.82Å; V178-W181 VanDerWaalsContact O-N 3.15Å
179	K	91	Very high	91.6	Very high	214 Å²	214	54.1 Å²	54.1	93%	0.93	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	128.2	176.3	-173.2	178	179.8	179.8	0	110.7	W181	K179-W181 VanDerWaalsContact C-N 3.29Å; K179-W181 PolarHBondContact O-N 3.48Å
180	G	90	Very high	91.4	Very high	74 Å²	74	56.3 Å²	56.3	76%	0.763	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.1	7.8	180	0	0	0	0	0	114.6	V178 L182	V178-G180 PolarHBondContact O-N 3.44Å; G180-L182 PolarHBondContact O-N 3.4Å
181	W	92.8	Very high	90.8	Very high	60 Å²	60	58 Å²	58	23%	0.227	34%	0.338	C	S	.	.			trans	-65	127.7	174.1	178.2	-99.6	0	0	0	111.5	W84 R174 V178 K179 L190	W84-W181 WeakPolarHBondContact CH2-O 3.5Å; W84-W181 WeakPolarHBondContact CZ3-O 3.48Å; R174-W181 HydrophobicContact CB-CD2 3.52Å; R174-W181 HydrophobicContact CB-CE3 3.88Å; R174-W181 HydrophobicContact CB-CG 3.84Å; R174-W181 HydrophobicContact CB-CH2 4.32Å; R174-W181 HydrophobicContact CB-CZ2 4.04Å; R174-W181 HydrophobicContact CB-CZ3 4.26Å; R174-W181 HydrophobicContact CG-CE3 4.44Å; R174-W181 HydrophobicContact CG-CZ3 4.45Å; R174-W181 WeakPolarHBondContact O-CB 3.44Å; V178-W181 HydrophobicContact CB-CB 4.05Å; V178-W181 HydrophobicContact CG1-CB 4.25Å; V178-W181 VanDerWaalsContact O-CB 3.26Å; V178-W181 WeakPolarHBondContact O-CB 2.81Å; V178-W181 PolarHBondContact O-N 2.82Å; V178-W181 VanDerWaalsContact O-N 3.15Å; K179-W181 VanDerWaalsContact C-N 3.29Å; K179-W181 PolarHBondContact O-N 3.48Å; W181-L190 HydrophobicContact CH2-CB 4Å; W181-L190 HydrophobicContact CH2-CD1 3.55Å; W181-L190 HydrophobicContact CH2-CG 3.45Å; W181-L190 VanDerWaalsContact CH2-CG 3.45Å; W181-L190 HydrophobicContact CZ3-CD1 3.56Å; W181-L190 HydrophobicContact CZ3-CD2 4.41Å; W181-L190 HydrophobicContact CZ3-CG 3.52Å
182	L	91.6	Very high	89.6	Confident	55 Å²	55	62.4 Å²	62.4	29%	0.288	36%	0.361	S	S	.	.			trans	-119.9	137.8	172.2	-67.7	173.9	0	0	0	109.8	W84 G180 L186 G188 G189	W84-L182 HydrophobicContact CE3-CD2 4.02Å; W84-L182 HydrophobicContact CZ3-CD2 4.05Å; G180-L182 PolarHBondContact O-N 3.4Å; L182-L186 HydrophobicContact CB-CB 4.29Å; L182-L186 HydrophobicContact CD2-CD1 4.36Å; L182-G188 CarbonylContact O-C 3.59Å; L182-G188 WeakPolarHBondContact O-CA 3.36Å; L182-G189 PolarHBondContact O-N 3.08Å
183	P	92.2	Very high	87.9	Confident	30 Å²	30	64.6 Å²	64.6	20%	0.195	38%	0.375	C	S	.	.			trans	-68.1	162.1	173.3	29.2	-35.2	0	0	0	111.5	W84 R185 L186 G188	W84-P183 HydrophobicContact CD2-CG 4.4Å; W84-P183 HydrophobicContact CZ2-CG 4.11Å; P183-R185 VanDerWaalsContact C-N 3.26Å; P183-R185 HydrophobicContact CG-CG 4.27Å; P183-R185 PolarHBondContact O-N 2.75Å; P183-R185 VanDerWaalsContact O-N 3.12Å; P183-L186 HydrophobicContact CG-CB 4.09Å; P183-L186 HydrophobicContact CG-CD1 3.8Å; P183-L186 HydrophobicContact CG-CG 3.93Å; P183-L186 WeakPolarHBondContact O-CB 3.27Å; P183-L186 PolarHBondContact O-N 3.13Å; P183-G188 PolarHBondContact O-N 3.38Å
184	R	90.1	Very high	85.8	Confident	86 Å²	86	71.8 Å²	71.8	33%	0.325	40%	0.401	S	S	.	.	G	3₁₀ helix	trans	-55.4	-34.6	-177.4	-70.1	-167.6	-177.2	-169.1	10.1	114.9	L186 G187 G188 L190 G191	R184-L186 PolarHBondContact O-N 3.07Å; R184-G187 PolarHBondContact O-N 3.31Å; R184-G188 WeakPolarHBondContact CA-O 3.48Å; R184-L190 VanDerWaalsContact CZ-O 3.24Å; R184-L190 PolarHBondContact NE-O 3.38Å; R184-L190 VanDerWaalsContact NE-O 3.12Å; R184-L190 PolarHBondContact NH2-O 3.47Å; R184-G191 PolarHBondContact NH2-O 3.12Å
185	R	88.1	Confident	83.4	Confident	131 Å²	131	78.5 Å²	78.5	49%	0.494	43%	0.427	S	S	.	.	G	3₁₀ helix	trans	-65.1	-17.3	178.8	74.8	-175.9	178.5	79	3.2	113.5	L77 P183	L77-R185 VanDerWaalsContact CD2-O 3.25Å; L77-R185 WeakPolarHBondContact CD2-O 3.28Å; P183-R185 VanDerWaalsContact C-N 3.26Å; P183-R185 HydrophobicContact CG-CG 4.27Å; P183-R185 PolarHBondContact O-N 2.75Å; P183-R185 VanDerWaalsContact O-N 3.12Å
186	L	89.5	Confident	80.9	Confident	5 Å²	5	81.9 Å²	81.9	3%	0.026	45%	0.453	C	S	.	.	G	3₁₀ helix	trans	-107.9	14.8	-175.5	-73	-168.6	0	0	0	112.2	Q80 N81 W84 L182 P183 R184	Q80-L186 HydrophobicContact CB-CD2 3.54Å; N81-L186 WeakPolarHBondContact OD1-CB 3.45Å; N81-L186 VanDerWaalsContact OD1-CD1 3.3Å; N81-L186 WeakPolarHBondContact OD1-CD1 2.68Å; N81-L186 VanDerWaalsContact OD1-CD2 3.24Å; N81-L186 WeakPolarHBondContact OD1-CD2 2.94Å; N81-L186 VanDerWaalsContact OD1-CG 3.28Å; N81-L186 WeakPolarHBondContact OD1-CG 3.49Å; W84-L186 HydrophobicContact CB-CD1 3.63Å; W84-L186 HydrophobicContact CD2-CD1 3.85Å; W84-L186 HydrophobicContact CE3-CD1 4.17Å; W84-L186 HydrophobicContact CG-CD1 3.63Å; L182-L186 HydrophobicContact CB-CB 4.29Å; L182-L186 HydrophobicContact CD2-CD1 4.36Å; P183-L186 HydrophobicContact CG-CB 4.09Å; P183-L186 HydrophobicContact CG-CD1 3.8Å; P183-L186 HydrophobicContact CG-CG 3.93Å; P183-L186 WeakPolarHBondContact O-CB 3.27Å; P183-L186 PolarHBondContact O-N 3.13Å; R184-L186 PolarHBondContact O-N 3.07Å
187	G	84.8	Confident	78.4	Confident	70 Å²	70	86.7 Å²	86.7	72%	0.722	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	86	-0.8	179.5	0	0	0	0	0	115.3	R184	R184-G187 PolarHBondContact O-N 3.31Å
188	G	89.6	Confident	75.8	Confident	31 Å²	31	87.7 Å²	87.7	32%	0.32	48%	0.484	S	S	.	.			trans	-100.4	-139.5	175.3	0	0	0	0	0	113.8	L182 P183 R184	L182-G188 CarbonylContact O-C 3.59Å; L182-G188 WeakPolarHBondContact O-CA 3.36Å; P183-G188 PolarHBondContact O-N 3.38Å; R184-G188 WeakPolarHBondContact CA-O 3.48Å
189	G	89	Confident	73.3	Confident	29 Å²	29	92.1 Å²	92.1	30%	0.299	51%	0.513	S	S	.	.			trans	76.4	152.2	175.9	0	0	0	0	0	114.7	L182	L182-G189 PolarHBondContact O-N 3.08Å
190	L	88.9	Confident	70.9	Confident	94 Å²	94	85 Å²	85	49%	0.492	50%	0.501	S	S	.	.	S	Bend	trans	-94.1	151.2	-177.8	-70.6	166.4	0	0	0	112.4	W181 R184	W181-L190 HydrophobicContact CH2-CB 4Å; W181-L190 HydrophobicContact CH2-CD1 3.55Å; W181-L190 HydrophobicContact CH2-CG 3.45Å; W181-L190 VanDerWaalsContact CH2-CG 3.45Å; W181-L190 HydrophobicContact CZ3-CD1 3.56Å; W181-L190 HydrophobicContact CZ3-CD2 4.41Å; W181-L190 HydrophobicContact CZ3-CG 3.52Å; R184-L190 VanDerWaalsContact CZ-O 3.24Å; R184-L190 PolarHBondContact NE-O 3.38Å; R184-L190 VanDerWaalsContact NE-O 3.12Å; R184-L190 PolarHBondContact NH2-O 3.47Å
191	G	82.6	Confident	68.4	Low	43 Å²	43	82.6 Å²	82.6	44%	0.443	48%	0.476	S	S	.	.			trans	86.8	147.9	171.1	0	0	0	0	0	115.2	R184	R184-G191 PolarHBondContact NH2-O 3.12Å
192	D	71.7	Confident	65.9	Low	111 Å²	111	83.2 Å²	83.2	59%	0.594	48%	0.483	S	S	*	.	S	Bend	trans	-91.4	-4.2	-171.4	-68.9	-51.8	0	0	0	115.4	R194 R195	D192-R194 PolarHBondContact O-N 3.36Å; D192-R195 PolarHBondContact O-N 3Å; D192-R195 VanDerWaalsContact O-N 3.13Å; D192-R195 IonicContact OD1-CZ 3.39Å; D192-R195 IonicContact OD1-NE 2.63Å; D192-R195 PolarHBondContact OD1-NE 3.28Å; D192-R195 VanDerWaalsContact OD1-NE 3.15Å; D192-R195 IonicContact OD1-NH2 3.14Å
193	T	57.4	Low	63.6	Low	79 Å²	79	83 Å²	83	49%	0.485	49%	0.486	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-1	-165.4	52.7	0	0	0	0	116.7	R104	R104-T193 VanDerWaalsContact CZ-CG2 3.43Å
194	R	50.4	Low	61.5	Low	165 Å²	165	92.4 Å²	92.4	62%	0.623	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-141.8	30.3	171	-60	-172.7	-80	-165.2	-6.4	112.3	D192 A196	D192-R194 PolarHBondContact O-N 3.36Å; R194-A196 PolarHBondContact O-N 3.36Å
195	R	43.5	Very low	59.5	Low	203 Å²	203	98.2 Å²	98.2	77%	0.766	54%	0.54	S	S	*	.			trans	-59.9	97.8	153	-75.8	-174.4	-172.8	-147.4	-5.2	104.2	D192 R197	D192-R195 PolarHBondContact O-N 3Å; D192-R195 VanDerWaalsContact O-N 3.13Å; D192-R195 IonicContact OD1-CZ 3.39Å; D192-R195 IonicContact OD1-NE 2.63Å; D192-R195 PolarHBondContact OD1-NE 3.28Å; D192-R195 VanDerWaalsContact OD1-NE 3.15Å; D192-R195 IonicContact OD1-NH2 3.14Å; R195-R197 PolarHBondContact O-N 3.21Å
196	A	39.9	Very low	57.7	Low	89 Å²	89	94.7 Å²	94.7	74%	0.736	53%	0.531	S	S	*	.			trans	-45.6	117.3	166	0	0	0	0	0	104.2	R194 A198	R194-A196 PolarHBondContact O-N 3.36Å; A196-A198 PolarHBondContact O-N 3.03Å
197	R	37.7	Very low	55.9	Low	156 Å²	156	100.5 Å²	100.5	59%	0.589	56%	0.555	S	S	*	*			trans	-21.6	113.3	159.1	-169.3	174.3	-162.7	-171.5	-4.6	106	R195 G201 D206	R195-R197 PolarHBondContact O-N 3.21Å; R197-G201 WeakPolarHBondContact CD-O 3.41Å; R197-G201 WeakPolarHBondContact CG-O 3.31Å; R197-G201 PolarHBondContact NE-O 3.48Å; R197-G201 PolarHBondContact NH2-O 3.02Å; R197-D206 IonicContact CZ-OD2 3.37Å; R197-D206 IonicContact NH2-OD2 3.22Å; R197-D206 PolarHBondContact NH2-OD2 3.29Å
198	A	38.6	Very low	54.5	Low	60 Å²	60	102.5 Å²	102.5	50%	0.496	55%	0.55	S	S	.	.			trans	-41.7	146.3	-179	0	0	0	0	0	108	A196 G200 G201	A196-A198 PolarHBondContact O-N 3.03Å; A198-G200 CarbonylContact O-C 3.57Å; A198-G200 PolarHBondContact O-N 3.32Å; A198-G201 PolarHBondContact O-N 2.96Å
199	P	38.9	Very low	52.9	Low	149 Å²	149	109.9 Å²	109.9	97%	0.968	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.8	91.1	170.7	22.6	-25.9	0	0	0	107.2
200	G	42.3	Very low	51.3	Low	65 Å²	65	114.1 Å²	114.1	67%	0.67	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	116.3	7.6	-161.4	0	0	0	0	0	117.5	A198 I202	A198-G200 CarbonylContact O-C 3.57Å; A198-G200 PolarHBondContact O-N 3.32Å; G200-I202 WeakPolarHBondContact O-CG1 3.47Å; G200-I202 PolarHBondContact O-N 3.47Å
201	G	36.9	Very low	49.8	Very low	23 Å²	23	113.8 Å²	113.8	24%	0.237	57%	0.574	C	S	.	*			trans	-76.2	64.8	-179.8	0	0	0	0	0	111.9	R197 A198 S203	R197-G201 WeakPolarHBondContact CD-O 3.41Å; R197-G201 WeakPolarHBondContact CG-O 3.31Å; R197-G201 PolarHBondContact NE-O 3.48Å; R197-G201 PolarHBondContact NH2-O 3.02Å; A198-G201 PolarHBondContact O-N 2.96Å; G201-S203 PolarHBondContact O-N 3.22Å
202	I	39.2	Very low	48.7	Very low	73 Å²	73	116 Å²	116	37%	0.374	58%	0.576	S	S	.	*			trans	-27.1	118	160.1	-70.7	170.8	0	0	0	110	G200 D206 K207 Y210	G200-I202 WeakPolarHBondContact O-CG1 3.47Å; G200-I202 PolarHBondContact O-N 3.47Å; I202-D206 HydrophobicContact CB-CB 4.06Å; I202-D206 HydrophobicContact CG2-CB 3.4Å; I202-D206 WeakPolarHBondContact CG2-O 3.44Å; I202-K207 HydrophobicContact CG2-CB 3.58Å; I202-K207 HydrophobicContact CG2-CG 4.41Å; I202-Y210 HydrophobicContact CD1-CD1 4.36Å; I202-Y210 HydrophobicContact CD1-CD2 3.73Å; I202-Y210 HydrophobicContact CD1-CE2 4.37Å; I202-Y210 HydrophobicContact CD1-CG 3.75Å
203	S	43.7	Very low	48	Very low	50 Å²	50	114.5 Å²	114.5	35%	0.35	56%	0.563	S	S	.	*			trans	-52.4	154.7	171.5	170	0	0	0	0	108.3	G201 R205 D206 K207	G201-S203 PolarHBondContact O-N 3.22Å; S203-R205 CarbonylContact O-C 3.52Å; S203-R205 PolarHBondContact O-N 3.45Å; S203-R205 PolarHBondContact OG-N 2.75Å; S203-D206 VanDerWaalsContact CB-OD2 3.25Å; S203-D206 WeakPolarHBondContact CB-OD2 3.47Å; S203-D206 PolarHBondContact N-OD2 3.3Å; S203-D206 VanDerWaalsContact N-OD2 3.09Å; S203-D206 CarbonylContact O-C 3.52Å; S203-D206 WeakPolarHBondContact O-CA 3.46Å; S203-D206 PolarHBondContact O-N 3.4Å; S203-K207 PolarHBondContact O-N 3.44Å
204	R	48.2	Very low	48.1	Very low	228 Å²	228	115.8 Å²	115.8	86%	0.86	56%	0.561	S	S	*	*	H	α-helix	trans	-48.1	-37.9	170.3	-79.8	-174.8	179.4	177.4	-1	110.9	K207 D208	R204-K207 WeakPolarHBondContact O-CB 3.24Å; R204-K207 PolarHBondContact O-N 3.27Å; R204-K207 VanDerWaalsContact O-N 3.17Å; R204-D208 VanDerWaalsContact O-CG 3.29Å; R204-D208 PolarHBondContact O-N 3.38Å; R204-D208 VanDerWaalsContact O-OD2 3.09Å
205	R	48.8	Very low	48.5	Very low	209 Å²	209	114.5 Å²	114.5	79%	0.789	56%	0.56	S	S	*	*	H	α-helix	trans	-63.9	-36.2	171	-79.5	-173.6	-177.8	178.2	0.3	115.4	S203 K207 R209	S203-R205 CarbonylContact O-C 3.52Å; S203-R205 PolarHBondContact O-N 3.45Å; S203-R205 PolarHBondContact OG-N 2.75Å; R205-K207 VanDerWaalsContact C-N 3.28Å; R205-R209 PolarHBondContact O-N 3.26Å
206	D	50.7	Low	49.1	Very low	57 Å²	57	109.9 Å²	109.9	31%	0.305	55%	0.547	S	S	.	.	H	α-helix	trans	-76	-22.1	176.3	-63.1	-45.1	0	0	0	110.7	R197 I202 S203 R209 Y210	R197-D206 IonicContact CZ-OD2 3.37Å; R197-D206 IonicContact NH2-OD2 3.22Å; R197-D206 PolarHBondContact NH2-OD2 3.29Å; I202-D206 HydrophobicContact CB-CB 4.06Å; I202-D206 HydrophobicContact CG2-CB 3.4Å; I202-D206 WeakPolarHBondContact CG2-O 3.44Å; S203-D206 VanDerWaalsContact CB-OD2 3.25Å; S203-D206 WeakPolarHBondContact CB-OD2 3.47Å; S203-D206 PolarHBondContact N-OD2 3.3Å; S203-D206 VanDerWaalsContact N-OD2 3.09Å; S203-D206 CarbonylContact O-C 3.52Å; S203-D206 WeakPolarHBondContact O-CA 3.46Å; S203-D206 PolarHBondContact O-N 3.4Å; D206-R209 CarbonylContact O-C 3.51Å; D206-R209 PolarHBondContact O-N 2.91Å; D206-Y210 VanDerWaalsContact O-CB 3.31Å; D206-Y210 WeakPolarHBondContact O-CB 3.45Å; D206-Y210 PolarHBondContact O-N 3.15Å
207	K	50.3	Low	49.8	Very low	126 Å²	126	110.4 Å²	110.4	55%	0.548	54%	0.538	S	S	.	.	H	α-helix	trans	-74.1	-41.7	-178	-171.3	179.4	176.9	-177.1	0	108.9	I202 S203 R204 R205 R209 Y210 D211	I202-K207 HydrophobicContact CG2-CB 3.58Å; I202-K207 HydrophobicContact CG2-CG 4.41Å; S203-K207 PolarHBondContact O-N 3.44Å; R204-K207 WeakPolarHBondContact O-CB 3.24Å; R204-K207 PolarHBondContact O-N 3.27Å; R204-K207 VanDerWaalsContact O-N 3.17Å; R205-K207 VanDerWaalsContact C-N 3.28Å; K207-R209 VanDerWaalsContact C-N 3.25Å; K207-R209 PolarHBondContact O-N 3.16Å; K207-Y210 CarbonylContact O-C 3.59Å; K207-Y210 PolarHBondContact O-N 3.46Å; K207-Y210 VanDerWaalsContact O-N 3.08Å; K207-D211 PolarHBondContact O-N 3.28Å
208	D	55.9	Low	50.6	Low	112 Å²	112	110.5 Å²	110.5	60%	0.599	54%	0.538	S	S	*	.	H	α-helix	trans	-59.1	-39.6	170.4	-52.6	-31.2	0	0	0	110.8	R204 D212	R204-D208 VanDerWaalsContact O-CG 3.29Å; R204-D208 PolarHBondContact O-N 3.38Å; R204-D208 VanDerWaalsContact O-OD2 3.09Å; D208-D212 WeakPolarHBondContact O-CB 2.86Å; D208-D212 PolarHBondContact O-N 3.07Å; D208-D212 VanDerWaalsContact O-N 3.12Å
209	R	55.7	Low	51.3	Low	187 Å²	187	112.5 Å²	112.5	71%	0.706	54%	0.537	S	S	*	.	H	α-helix	trans	-73	-29.4	174.9	-161.4	-176.8	-93.2	174.5	-10.6	113.2	R205 D206 K207 Y213	R205-R209 PolarHBondContact O-N 3.26Å; D206-R209 CarbonylContact O-C 3.51Å; D206-R209 PolarHBondContact O-N 2.91Å; K207-R209 VanDerWaalsContact C-N 3.25Å; K207-R209 PolarHBondContact O-N 3.16Å; R209-Y213 PolarHBondContact O-N 2.89Å
210	Y	54.9	Low	51.9	Low	118 Å²	118	109.6 Å²	109.6	46%	0.463	51%	0.513	S	S	.	.	H	α-helix	trans	-73.4	-40.1	175.6	-164.3	-89.4	0	0	0	110.4	I202 D206 K207 D212 Y213 K214	I202-Y210 HydrophobicContact CD1-CD1 4.36Å; I202-Y210 HydrophobicContact CD1-CD2 3.73Å; I202-Y210 HydrophobicContact CD1-CE2 4.37Å; I202-Y210 HydrophobicContact CD1-CG 3.75Å; D206-Y210 VanDerWaalsContact O-CB 3.31Å; D206-Y210 WeakPolarHBondContact O-CB 3.45Å; D206-Y210 PolarHBondContact O-N 3.15Å; K207-Y210 CarbonylContact O-C 3.59Å; K207-Y210 PolarHBondContact O-N 3.46Å; K207-Y210 VanDerWaalsContact O-N 3.08Å; Y210-D212 VanDerWaalsContact C-N 3.32Å; Y210-D212 PolarHBondContact O-N 3.1Å; Y210-Y213 VanDerWaalsContact CA-CD1 3.43Å; Y210-Y213 AromaticContact CD1-CE1 3.67Å; Y210-Y213 HydrophobicContact CD1-CE1 3.67Å; Y210-Y213 AromaticContact CD1-CZ 3.98Å; Y210-Y213 WeakPolarHBondContact CD1-OH 3.47Å; Y210-Y213 HydrophobicContact CD2-CD1 4.1Å; Y210-Y213 AromaticContact CD2-CE1 3.15Å; Y210-Y213 HydrophobicContact CD2-CE1 3.15Å; Y210-Y213 AromaticContact CD2-CZ 3.84Å; Y210-Y213 AromaticContact CE1-CE1 3.93Å; Y210-Y213 HydrophobicContact CE1-CE1 3.93Å; Y210-Y213 AromaticContact CE1-CZ 3.78Å; Y210-Y213 WeakPolarHBondContact CE1-OH 3.45Å; Y210-Y213 AromaticContact CE2-CE1 3.39Å; Y210-Y213 HydrophobicContact CE2-CE1 3.39Å; Y210-Y213 AromaticContact CE2-CZ 3.56Å; Y210-Y213 VanDerWaalsContact CE2-OH 3.27Å; Y210-Y213 WeakPolarHBondContact CE2-OH 2.92Å; Y210-Y213 HydrophobicContact CG-CD1 4.25Å; Y210-Y213 AromaticContact CG-CE1 3.29Å; Y210-Y213 HydrophobicContact CG-CE1 3.29Å; Y210-Y213 AromaticContact CZ-CE1 3.8Å; Y210-Y213 AromaticContact CZ-CZ 3.56Å; Y210-Y213 WeakPolarHBondContact O-CD1 3.4Å; Y210-Y213 WeakPolarHBondContact O-CE1 3.39Å; Y210-Y213 PolarHBondContact OH-OH 3.3Å; Y210-Y213 VanDerWaalsContact OH-OH 3.06Å; Y210-K214 PolarHBondContact O-N 3.15Å
211	D	58.5	Low	52.3	Low	87 Å²	87	109.2 Å²	109.2	47%	0.465	50%	0.5	S	S	.	.	H	α-helix	trans	-71.2	-30.2	176.1	-71.2	-40.8	0	0	0	111.7	K207 K214 K215	K207-D211 PolarHBondContact O-N 3.28Å; D211-K214 PolarHBondContact O-N 3.23Å; D211-K215 WeakPolarHBondContact O-CB 3.47Å; D211-K215 PolarHBondContact O-N 3.33Å; D211-K215 VanDerWaalsContact O-N 3.07Å
212	D	60.1	Low	52.9	Low	88 Å²	88	115.2 Å²	115.2	47%	0.471	52%	0.517	S	S	.	.	H	α-helix	trans	-67.6	-47.2	175.7	-169	57.4	0	0	0	114.1	D208 Y210 K214 K215 H216	D208-D212 WeakPolarHBondContact O-CB 2.86Å; D208-D212 PolarHBondContact O-N 3.07Å; D208-D212 VanDerWaalsContact O-N 3.12Å; Y210-D212 VanDerWaalsContact C-N 3.32Å; Y210-D212 PolarHBondContact O-N 3.1Å; D212-K214 VanDerWaalsContact C-N 3.25Å; D212-K214 PolarHBondContact O-N 3.01Å; D212-K215 WeakPolarHBondContact O-CB 3.34Å; D212-K215 PolarHBondContact O-N 2.97Å; D212-H216 PolarHBondContact O-N 2.86Å
213	Y	57.1	Low	53.5	Low	81 Å²	81	120.2 Å²	120.2	32%	0.318	53%	0.531	S	S	.	.	H	α-helix	trans	-65.5	-31.5	176.5	87.1	-92.2	0	0	0	111.8	R209 Y210 K215 H216 N217	R209-Y213 PolarHBondContact O-N 2.89Å; Y210-Y213 VanDerWaalsContact CA-CD1 3.43Å; Y210-Y213 AromaticContact CD1-CE1 3.67Å; Y210-Y213 HydrophobicContact CD1-CE1 3.67Å; Y210-Y213 AromaticContact CD1-CZ 3.98Å; Y210-Y213 WeakPolarHBondContact CD1-OH 3.47Å; Y210-Y213 HydrophobicContact CD2-CD1 4.1Å; Y210-Y213 AromaticContact CD2-CE1 3.15Å; Y210-Y213 HydrophobicContact CD2-CE1 3.15Å; Y210-Y213 AromaticContact CD2-CZ 3.84Å; Y210-Y213 AromaticContact CE1-CE1 3.93Å; Y210-Y213 HydrophobicContact CE1-CE1 3.93Å; Y210-Y213 AromaticContact CE1-CZ 3.78Å; Y210-Y213 WeakPolarHBondContact CE1-OH 3.45Å; Y210-Y213 AromaticContact CE2-CE1 3.39Å; Y210-Y213 HydrophobicContact CE2-CE1 3.39Å; Y210-Y213 AromaticContact CE2-CZ 3.56Å; Y210-Y213 VanDerWaalsContact CE2-OH 3.27Å; Y210-Y213 WeakPolarHBondContact CE2-OH 2.92Å; Y210-Y213 HydrophobicContact CG-CD1 4.25Å; Y210-Y213 AromaticContact CG-CE1 3.29Å; Y210-Y213 HydrophobicContact CG-CE1 3.29Å; Y210-Y213 AromaticContact CZ-CE1 3.8Å; Y210-Y213 AromaticContact CZ-CZ 3.56Å; Y210-Y213 WeakPolarHBondContact O-CD1 3.4Å; Y210-Y213 WeakPolarHBondContact O-CE1 3.39Å; Y210-Y213 PolarHBondContact OH-OH 3.3Å; Y210-Y213 VanDerWaalsContact OH-OH 3.06Å; Y213-K215 VanDerWaalsContact C-N 3.33Å; Y213-H216 PolarHBondContact O-N 3.11Å; Y213-N217 WeakPolarHBondContact O-CB 3.41Å; Y213-N217 PolarHBondContact O-N 3.32Å
214	K	59.8	Low	53.7	Low	106 Å²	106	123 Å²	123	46%	0.461	54%	0.542	S	S	.	.	H	α-helix	trans	-72.3	-31.9	179.9	-153.2	-178.1	-174.5	-176.2	0	111.1	Y210 D211 D212 R218	Y210-K214 PolarHBondContact O-N 3.15Å; D211-K214 PolarHBondContact O-N 3.23Å; D212-K214 VanDerWaalsContact C-N 3.25Å; D212-K214 PolarHBondContact O-N 3.01Å; K214-R218 PolarHBondContact O-N 2.72Å; K214-R218 VanDerWaalsContact O-N 3.13Å
215	K	58.5	Low	53.8	Low	137 Å²	137	118.2 Å²	118.2	60%	0.596	53%	0.534	S	S	*	.	H	α-helix	trans	-67.9	-46.8	172	-161.7	-179.6	-179.6	-170.9	0	111.3	D211 D212 Y213 N217 R218 E219	D211-K215 WeakPolarHBondContact O-CB 3.47Å; D211-K215 PolarHBondContact O-N 3.33Å; D211-K215 VanDerWaalsContact O-N 3.07Å; D212-K215 WeakPolarHBondContact O-CB 3.34Å; D212-K215 PolarHBondContact O-N 2.97Å; Y213-K215 VanDerWaalsContact C-N 3.33Å; K215-N217 PolarHBondContact O-N 3.37Å; K215-R218 PolarHBondContact O-N 3.18Å; K215-E219 PolarHBondContact O-N 3.37Å; K215-E219 VanDerWaalsContact O-N 3.07Å
216	H	56	Low	53.7	Low	107 Å²	107	118.2 Å²	118.2	50%	0.495	53%	0.534	S	S	.	.	H	α-helix	trans	-65.6	-35.8	177.1	-91.6	-62.9	0	0	0	113.9	D212 Y213 E219 N220	D212-H216 PolarHBondContact O-N 2.86Å; Y213-H216 PolarHBondContact O-N 3.11Å; H216-E219 PolarHBondContact O-N 3.29Å; H216-N220 PolarHBondContact O-N 3.34Å; H216-N220 VanDerWaalsContact O-N 3.1Å
217	N	53.9	Low	53.5	Low	100 Å²	100	125 Å²	125	54%	0.535	56%	0.555	S	S	.	*	H	α-helix	trans	-74	-32.5	175.4	-91.8	-37.4	0	0	0	113.3	Y213 K215 N220 S221	Y213-N217 WeakPolarHBondContact O-CB 3.41Å; Y213-N217 PolarHBondContact O-N 3.32Å; K215-N217 PolarHBondContact O-N 3.37Å; N217-N220 PolarHBondContact O-N 3.43Å; N217-S221 PolarHBondContact O-N 3.37Å; N217-S221 PolarHBondContact O-OG 3.07Å
218	R	54	Low	53.3	Low	157 Å²	157	127.2 Å²	127.2	59%	0.592	57%	0.567	S	S	*	*	H	α-helix	trans	-62.4	-44	169.6	-93.8	-178.7	173.2	169	-4.3	111	K214 K215 N220 S221 Y222	K214-R218 PolarHBondContact O-N 2.72Å; K214-R218 VanDerWaalsContact O-N 3.13Å; K215-R218 PolarHBondContact O-N 3.18Å; R218-N220 VanDerWaalsContact C-N 3.3Å; R218-N220 PolarHBondContact O-N 3.21Å; R218-S221 WeakPolarHBondContact CA-OG 3.28Å; R218-S221 PolarHBondContact O-N 3.19Å; R218-S221 PolarHBondContact O-OG 3.12Å; R218-Y222 HydrophobicContact CB-CE2 4.27Å; R218-Y222 WeakPolarHBondContact O-CD2 3.12Å; R218-Y222 VanDerWaalsContact O-CE2 3.24Å; R218-Y222 WeakPolarHBondContact O-CE2 3.35Å; R218-Y222 PolarHBondContact O-N 3.44Å
219	E	52.8	Low	52.8	Low	102 Å²	102	128.3 Å²	128.3	48%	0.477	57%	0.573	S	S	.	*	H	α-helix	trans	-63.6	-33	176.5	-77.8	178.9	172.9	0	0	113.4	K215 H216	K215-E219 PolarHBondContact O-N 3.37Å; K215-E219 VanDerWaalsContact O-N 3.07Å; H216-E219 PolarHBondContact O-N 3.29Å
220	N	51.9	Low	52.3	Low	88 Å²	88	124.1 Å²	124.1	47%	0.471	57%	0.572	S	S	.	*	H	α-helix	trans	-74.5	-32.8	174.8	-87.1	-18	0	0	0	113.6	H216 N217 R218 Y222 R223 N224	H216-N220 PolarHBondContact O-N 3.34Å; H216-N220 VanDerWaalsContact O-N 3.1Å; N217-N220 PolarHBondContact O-N 3.43Å; R218-N220 VanDerWaalsContact C-N 3.3Å; R218-N220 PolarHBondContact O-N 3.21Å; N220-Y222 VanDerWaalsContact C-N 3.31Å; N220-Y222 PolarHBondContact O-N 3.02Å; N220-R223 PolarHBondContact O-N 3.45Å; N220-N224 PolarHBondContact O-N 2.88Å
221	S	51.5	Low	51.7	Low	57 Å²	57	130 Å²	130	40%	0.399	59%	0.594	S	S	.	*	H	α-helix	trans	-64.1	-34.8	175	46.5	0	0	0	0	112.8	N217 R218 R223	N217-S221 PolarHBondContact O-N 3.37Å; N217-S221 PolarHBondContact O-OG 3.07Å; R218-S221 WeakPolarHBondContact CA-OG 3.28Å; R218-S221 PolarHBondContact O-N 3.19Å; R218-S221 PolarHBondContact O-OG 3.12Å; S221-R223 VanDerWaalsContact C-N 3.33Å; S221-R223 PolarHBondContact O-N 3.43Å
222	Y	50.3	Low	51.1	Low	149 Å²	149	130.7 Å²	130.7	58%	0.584	61%	0.605	S	S	*	*	H	α-helix	trans	-77.9	-15.6	176.7	-57.6	-64.1	0	0	0	114.1	R218 N220	R218-Y222 HydrophobicContact CB-CE2 4.27Å; R218-Y222 WeakPolarHBondContact O-CD2 3.12Å; R218-Y222 VanDerWaalsContact O-CE2 3.24Å; R218-Y222 WeakPolarHBondContact O-CE2 3.35Å; R218-Y222 PolarHBondContact O-N 3.44Å; N220-Y222 VanDerWaalsContact C-N 3.31Å; N220-Y222 PolarHBondContact O-N 3.02Å
223	R	49.9	Very low	50.3	Low	178 Å²	178	134.4 Å²	134.4	67%	0.672	63%	0.625	S	S	*	*	H	α-helix	trans	-87.4	-27.1	177.2	-79.9	-177.7	173.9	178	-0.2	113.3	N220 S221	N220-R223 PolarHBondContact O-N 3.45Å; S221-R223 VanDerWaalsContact C-N 3.33Å; S221-R223 PolarHBondContact O-N 3.43Å
224	N	49.3	Very low	49.7	Very low	109 Å²	109	135.6 Å²	135.6	58%	0.583	65%	0.645	S	S	*	*	H	α-helix	trans	-80.9	-28.8	177.7	-95.7	-17.7	0	0	0	113.3	N220 R226 R227	N220-N224 PolarHBondContact O-N 2.88Å; N224-R226 PolarHBondContact O-N 3.06Å; N224-R227 PolarHBondContact O-N 3.26Å; N224-R227 VanDerWaalsContact O-N 3.15Å
225	D	49.2	Very low	49	Very low	127 Å²	127	138.4 Å²	138.4	68%	0.679	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68	-21.2	175.5	-74.3	-23.5	0	0	0	113.3
226	R	47.2	Very low	48.4	Very low	210 Å²	210	137.5 Å²	137.5	79%	0.792	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.9	-10.2	174.1	-67.1	-171.4	-168.3	169	3.2	114.4	N224	N224-R226 PolarHBondContact O-N 3.06Å
227	R	46.7	Very low	47.9	Very low	198 Å²	198	144.2 Å²	144.2	75%	0.747	70%	0.695	S	S	*	*	S	Bend	trans	-92.6	-4.4	-178.7	-73.8	-174.9	174.2	-169.1	-1.8	113.5	N224	N224-R227 PolarHBondContact O-N 3.26Å; N224-R227 VanDerWaalsContact O-N 3.15Å
228	H	46.1	Very low	47.6	Very low	174 Å²	174	147.3 Å²	147.3	81%	0.806	71%	0.712	S	S	*	*	S	Bend	trans	-101.9	1.9	-178.5	-123.9	-71.1	0	0	0	114.8
229	D	46.1	Very low	47.3	Very low	135 Å²	135	151.3 Å²	151.3	72%	0.722	73%	0.727	S	S	*	*	S	Bend	trans	-107.8	27.1	-174.6	-155.4	16.6	0	0	0	114
230	S	44.5	Very low	46.9	Very low	99 Å²	99	157.7 Å²	157.7	69%	0.692	75%	0.747	S	S	*	*	S	Bend	trans	-136.1	25.5	-178.3	28.6	0	0	0	0	114.4
231	R	42.8	Very low	46.7	Very low	242 Å²	242	162.6 Å²	162.6	91%	0.913	77%	0.766	S	S	*	*	S	Bend	trans	-130.1	21.8	178.8	-74.8	-173	172.9	174.2	-2.4	115.4
232	S	44.7	Very low	46.4	Very low	101 Å²	101	169.7 Å²	169.7	71%	0.706	79%	0.793	S	S	*	*	S	Bend	trans	-117.6	24	-175.5	40.7	0	0	0	0	115.2
233	D	43.6	Very low	46.2	Very low	166 Å²	166	165.5 Å²	165.5	89%	0.888	80%	0.796	S	S	*	*	S	Bend	trans	-133.2	29	-174.4	-143	9.1	0	0	0	116.6
234	S	44.3	Very low	46	Very low	106 Å²	106	166 Å²	166	74%	0.741	80%	0.803	S	S	*	*	S	Bend	trans	-139.1	60.3	177.4	69	0	0	0	0	113.2
235	I	46.4	Very low	45.9	Very low	165 Å²	165	170.4 Å²	170.4	85%	0.846	81%	0.811	S	S	*	*	S	Bend	trans	-163	78.9	162.9	-102.1	144.5	0	0	0	107.1
236	S	44.7	Very low	45.7	Very low	117 Å²	117	172.5 Å²	172.5	82%	0.818	82%	0.819	S	S	*	*			trans	179.6	76.4	164.7	-84.3	0	0	0	0	110.3
237	R	46.5	Very low	45.9	Very low	249 Å²	249	177.9 Å²	177.9	94%	0.94	84%	0.839	S	S	*	*			trans	-175.9	67.7	163.2	-103.9	162.5	-159.8	-165.3	7.6	109.9
238	D	47.7	Very low	45.8	Very low	164 Å²	164	176.9 Å²	176.9	88%	0.877	84%	0.844	S	S	*	*			trans	-156.6	59.8	164.4	-119.8	-13.8	0	0	0	111.7
239	R	46.6	Very low	45.8	Very low	242 Å²	242	177 Å²	177	91%	0.913	85%	0.846	S	S	*	*			trans	-156	84.2	164.3	-75.9	-164.8	-171	156.3	3.5	108.7
240	R	44	Very low	45.8	Very low	236 Å²	236	179.3 Å²	179.3	89%	0.891	85%	0.853	S	S	*	*			trans	-172.3	96.2	164	-101.9	171.2	-139.9	-144.5	7	107.8
241	H	48	Very low	45.9	Very low	190 Å²	190	184.1 Å²	184.1	88%	0.88	86%	0.862	S	S	*	*			trans	169.7	72.3	141.1	-94.3	54.9	0	0	0	109.3
242	Q	46.5	Very low	46.1	Very low	206 Å²	206	180.4 Å²	180.4	96%	0.963	86%	0.859	S	S	*	*			trans	-124.9	111.5	148	-85.9	-164.7	3.2	0	0	105.7
243	G	44.8	Very low	46.2	Very low	62 Å²	62	185.7 Å²	185.7	64%	0.639	87%	0.869	S	S	*	*			trans	164.2	130.1	179.5	0	0	0	0	0	111.7
244	F	47.1	Very low	46.4	Very low	189 Å²	189	187.1 Å²	187.1	83%	0.829	87%	0.868	S	S	*	*			trans	78.6	137.6	176.1	-73.7	-105.5	0	0	0	117.4
245	R	46.3	Very low	46.5	Very low	201 Å²	201	193.4 Å²	193.4	76%	0.758	88%	0.878	S	S	*	*			cis	-178.5	134.2	-22	-157.7	168.3	179.4	-174.4	2.5	104.8
246	M	45.4	Very low	46.5	Very low	170 Å²	170	195.8 Å²	195.8	84%	0.837	88%	0.88	S	S	*	*			trans	35.1	110.4	146.2	-58.5	-78	-176.7	0	0	119.3
247	R	50.8	Low	46.7	Very low	323 Å²	323	202.9 Å²	202.9	100%	1.219	89%	0.886	S	S	*	*				-165.4	0	113	-104	-177.8	-173.1	-127.4	2.1	109.3

Retrieved 247 of 247 residues in 294.3 ms (Link to these results)

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