A0A077Z0R1_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z0R1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 157 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	39.3	Very low	44.4	Very low	247 Å²	247	133.9 Å²	133.9	100%	1.217	69%	0.687	S	S	*	*				0	63.6	0	-68.1	176.7	169.8	0	0	111.3
2	R	43.1	Very low	44.6	Very low	230 Å²	230	129.2 Å²	129.2	87%	0.868	67%	0.668	S	S	*	*			trans	-136.3	14.1	-173.4	-103.8	-176.5	178.5	167.9	-0.6	116.5
3	F	47.5	Very low	44.4	Very low	185 Å²	185	131.7 Å²	131.7	81%	0.811	67%	0.666	S	S	*	*			trans	-108.2	0.1	-179.1	-73.6	-77.8	0	0	0	115.3
4	L	46.9	Very low	44.4	Very low	146 Å²	146	127.2 Å²	127.2	76%	0.764	64%	0.643	S	S	*	*	H	α-helix	trans	-66.8	-37	-178.7	-137	86.4	0	0	0	115.6	V6	L4-V6 PolarHBondContact O-N 3.08Å
5	P	42.4	Very low	44.3	Very low	79 Å²	79	129.9 Å²	129.9	51%	0.513	64%	0.644	S	S	.	*	H	α-helix	trans	-75.9	-21.7	-172.4	26.7	-31.3	0	0	0	113.7	F9	P5-F9 PolarHBondContact O-N 3.25Å
6	V	46.6	Very low	44	Very low	90 Å²	90	131.6 Å²	131.6	55%	0.545	65%	0.65	S	S	.	*	H	α-helix	trans	-70.7	-40.5	-177.9	-176.6	0	0	0	0	111.3	L4 L8 F9 M10	L4-V6 PolarHBondContact O-N 3.08Å; V6-L8 VanDerWaalsContact C-N 3.34Å; V6-L8 PolarHBondContact O-N 3.29Å; V6-F9 PolarHBondContact O-N 3.48Å; V6-M10 HydrophobicContact CG1-CG 4.45Å; V6-M10 WeakPolarHBondContact O-CG 3.43Å; V6-M10 PolarHBondContact O-N 2.72Å
7	A	42.9	Very low	43.7	Very low	71 Å²	71	126.6 Å²	126.6	59%	0.587	64%	0.635	S	S	*	*	H	α-helix	trans	-64.6	-37.4	179.7	0	0	0	0	0	112.6	A11	A7-A11 WeakPolarHBondContact O-CB 3.39Å; A7-A11 PolarHBondContact O-N 3.06Å
8	L	45.1	Very low	43.7	Very low	113 Å²	113	124.8 Å²	124.8	59%	0.592	62%	0.624	S	S	*	*	H	α-helix	trans	-69.8	-42.4	177	-101	151.6	0	0	0	111.9	V6 M10 A11 V12	V6-L8 VanDerWaalsContact C-N 3.34Å; V6-L8 PolarHBondContact O-N 3.29Å; L8-M10 PolarHBondContact O-N 2.97Å; L8-A11 PolarHBondContact O-N 2.86Å; L8-V12 WeakPolarHBondContact O-CG2 3.41Å; L8-V12 PolarHBondContact O-N 3.45Å; L8-V12 VanDerWaalsContact O-N 3.1Å
9	F	46	Very low	43.6	Very low	140 Å²	140	123.7 Å²	123.7	61%	0.614	63%	0.627	S	S	*	*	H	α-helix	trans	-63.3	-41.2	175.8	-98.5	-86.1	0	0	0	112.2	P5 V6 V12 Y13	P5-F9 PolarHBondContact O-N 3.25Å; V6-F9 PolarHBondContact O-N 3.48Å; F9-V12 PolarHBondContact O-N 2.87Å; F9-Y13 HydrophobicContact CD1-CE2 4.44Å; F9-Y13 WeakPolarHBondContact O-CD2 3.2Å; F9-Y13 PolarHBondContact O-N 2.65Å
10	M	41.5	Very low	43.3	Very low	114 Å²	114	126.6 Å²	126.6	56%	0.562	64%	0.635	S	S	*	*	H	α-helix	trans	-65	-40.6	176.5	-69.4	-66.7	-82	0	0	112	V6 L8 V12 Y13 I14	V6-M10 HydrophobicContact CG1-CG 4.45Å; V6-M10 WeakPolarHBondContact O-CG 3.43Å; V6-M10 PolarHBondContact O-N 2.72Å; L8-M10 PolarHBondContact O-N 2.97Å; M10-V12 VanDerWaalsContact C-N 3.33Å; M10-V12 PolarHBondContact O-N 3.02Å; M10-Y13 PolarHBondContact O-N 2.84Å; M10-I14 WeakPolarHBondContact O-CB 3.37Å; M10-I14 WeakPolarHBondContact O-CD1 3.32Å; M10-I14 WeakPolarHBondContact O-CG1 3.31Å; M10-I14 PolarHBondContact O-N 3.5Å
11	A	47.2	Very low	43	Very low	58 Å²	58	121.6 Å²	121.6	48%	0.479	62%	0.615	S	S	.	*	H	α-helix	trans	-62.7	-38.7	176.8	0	0	0	0	0	112.6	A7 L8 Y15	A7-A11 WeakPolarHBondContact O-CB 3.39Å; A7-A11 PolarHBondContact O-N 3.06Å; L8-A11 PolarHBondContact O-N 2.86Å; A11-Y15 PolarHBondContact O-N 3.34Å
12	V	46.7	Very low	43	Very low	77 Å²	77	115.1 Å²	115.1	47%	0.467	59%	0.585	S	S	.	*	H	α-helix	trans	-70.1	-42	176.9	176.4	0	0	0	0	111.4	L8 F9 M10 I14 Y15 Q16	L8-V12 WeakPolarHBondContact O-CG2 3.41Å; L8-V12 PolarHBondContact O-N 3.45Å; L8-V12 VanDerWaalsContact O-N 3.1Å; F9-V12 PolarHBondContact O-N 2.87Å; M10-V12 VanDerWaalsContact C-N 3.33Å; M10-V12 PolarHBondContact O-N 3.02Å; V12-I14 VanDerWaalsContact C-N 3.32Å; V12-I14 PolarHBondContact O-N 3.14Å; V12-Y15 PolarHBondContact O-N 3.28Å; V12-Q16 PolarHBondContact O-N 3Å
13	Y	42.5	Very low	42.6	Very low	162 Å²	162	108 Å²	108	64%	0.635	57%	0.571	S	S	*	*	H	α-helix	trans	-63.4	-37.7	175.2	-98.6	-85.8	0	0	0	112.3	F9 M10 Q16 A17	F9-Y13 HydrophobicContact CD1-CE2 4.44Å; F9-Y13 WeakPolarHBondContact O-CD2 3.2Å; F9-Y13 PolarHBondContact O-N 2.65Å; M10-Y13 PolarHBondContact O-N 2.84Å; Y13-Q16 PolarHBondContact O-N 3.35Å; Y13-A17 VanDerWaalsContact O-CB 3.24Å; Y13-A17 WeakPolarHBondContact O-CB 3.47Å; Y13-A17 PolarHBondContact O-N 2.97Å
14	I	43.4	Very low	42.2	Very low	69 Å²	69	104.1 Å²	104.1	35%	0.354	56%	0.558	S	S	.	*	H	α-helix	trans	-68.1	-37.9	176.6	-68	163.2	0	0	0	111.2	M10 V12 A17 I147	M10-I14 WeakPolarHBondContact O-CB 3.37Å; M10-I14 WeakPolarHBondContact O-CD1 3.32Å; M10-I14 WeakPolarHBondContact O-CG1 3.31Å; M10-I14 PolarHBondContact O-N 3.5Å; V12-I14 VanDerWaalsContact C-N 3.32Å; V12-I14 PolarHBondContact O-N 3.14Å; I14-A17 PolarHBondContact O-N 3Å; I14-I147 HydrophobicContact CD1-CG2 4.18Å; I14-I147 HydrophobicContact CG2-CD1 4.14Å
15	Y	43.3	Very low	42	Very low	167 Å²	167	100 Å²	100	66%	0.655	54%	0.539	S	S	*	.	H	α-helix	trans	-68.6	-35.3	177.1	-151.6	-95.3	0	0	0	112.1	A11 V12 E18	A11-Y15 PolarHBondContact O-N 3.34Å; V12-Y15 PolarHBondContact O-N 3.28Å; Y15-E18 WeakPolarHBondContact O-CB 3.02Å; Y15-E18 VanDerWaalsContact O-CG 3.31Å; Y15-E18 WeakPolarHBondContact O-CG 3.38Å
16	Q	40	Very low	41.7	Very low	157 Å²	157	99.9 Å²	99.9	73%	0.734	53%	0.534	S	S	*	.	H	α-helix	trans	-79.7	-22.8	175.6	-74.7	-172.1	-10.9	0	0	113.8	V12 Y13 E18	V12-Q16 PolarHBondContact O-N 3Å; Y13-Q16 PolarHBondContact O-N 3.35Å; Q16-E18 PolarHBondContact O-N 2.82Å
17	A	39.2	Very low	41.2	Very low	48 Å²	48	97.3 Å²	97.3	40%	0.397	52%	0.519	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	3.1	175.1	0	0	0	0	0	113.9	Y13 I14 P19 F20 G21	Y13-A17 VanDerWaalsContact O-CB 3.24Å; Y13-A17 WeakPolarHBondContact O-CB 3.47Å; Y13-A17 PolarHBondContact O-N 2.97Å; I14-A17 PolarHBondContact O-N 3Å; A17-P19 VanDerWaalsContact C-N 3.28Å; A17-F20 PolarHBondContact O-N 2.67Å; A17-F20 VanDerWaalsContact O-N 3.12Å; A17-G21 PolarHBondContact O-N 3.38Å
18	E	42.4	Very low	40.9	Very low	93 Å²	93	97.1 Å²	97.1	44%	0.435	51%	0.514	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-27	-171.2	-83.6	-168.9	143	0	0	116.4	Y15 Q16 K143	Y15-E18 WeakPolarHBondContact O-CB 3.02Å; Y15-E18 VanDerWaalsContact O-CG 3.31Å; Y15-E18 WeakPolarHBondContact O-CG 3.38Å; Q16-E18 PolarHBondContact O-N 2.82Å; E18-K143 IonicContact OE1-NZ 3.58Å; E18-K143 PolarHBondContact OE1-NZ 3.47Å
19	P	42.4	Very low	40.4	Very low	105 Å²	105	93.7 Å²	93.7	68%	0.682	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.4	-20.3	171.8	-2.5	22.1	0	0	0	116.4	A17	A17-P19 VanDerWaalsContact C-N 3.28Å
20	F	37.2	Very low	39.8	Very low	181 Å²	181	92.2 Å²	92.2	79%	0.794	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.7	-6.7	-160.4	-85.3	-80.5	0	0	0	117	A17	A17-F20 PolarHBondContact O-N 2.67Å; A17-F20 VanDerWaalsContact O-N 3.12Å
21	G	37.8	Very low	39.5	Very low	21 Å²	21	95.5 Å²	95.5	22%	0.216	50%	0.502	C	S	.	.	S	Bend	trans	-114.1	-15.5	-170.8	0	0	0	0	0	117.5	A17 S23 D24 V25	A17-G21 PolarHBondContact O-N 3.38Å; G21-S23 VanDerWaalsContact C-N 3.32Å; G21-S23 PolarHBondContact O-N 2.87Å; G21-D24 PolarHBondContact O-N 3.32Å; G21-V25 WeakPolarHBondContact O-CG2 3.43Å; G21-V25 PolarHBondContact O-N 3.36Å
22	L	39.4	Very low	38.8	Very low	112 Å²	112	95.2 Å²	95.2	59%	0.586	50%	0.504	S	S	*	.	H	α-helix	trans	-67.3	-33	-170.8	-114.7	147.5	0	0	0	112.5	L26	L22-L26 HydrophobicContact CD2-CD1 4.3Å; L22-L26 WeakPolarHBondContact O-CB 3.31Å; L22-L26 WeakPolarHBondContact O-CD1 3.36Å; L22-L26 WeakPolarHBondContact O-CG 3.46Å; L22-L26 PolarHBondContact O-N 3.14Å
23	S	35.2	Very low	38.1	Very low	80 Å²	80	94.9 Å²	94.9	56%	0.559	50%	0.5	S	S	*	.	H	α-helix	trans	-65.2	-43	174	55.8	0	0	0	0	112.3	G21 L26 S27	G21-S23 VanDerWaalsContact C-N 3.32Å; G21-S23 PolarHBondContact O-N 2.87Å; S23-L26 PolarHBondContact O-N 3.16Å; S23-S27 PolarHBondContact O-N 3.27Å
24	D	38	Very low	37.7	Very low	103 Å²	103	89.4 Å²	89.4	55%	0.551	49%	0.493	S	S	*	.	H	α-helix	trans	-73.1	-36.1	-177.2	-74.6	-3.8	0	0	0	111.8	G21 S27 S28	G21-D24 PolarHBondContact O-N 3.32Å; D24-S27 PolarHBondContact O-N 3.25Å; D24-S27 PolarHBondContact O-OG 3.12Å; D24-S28 WeakPolarHBondContact O-CB 3.46Å; D24-S28 PolarHBondContact O-N 3.41Å; D24-S28 PolarHBondContact O-OG 2.93Å
25	V	42.4	Very low	37.3	Very low	59 Å²	59	92.4 Å²	92.4	36%	0.358	52%	0.517	S	S	.	.	H	α-helix	trans	-64.2	-43.8	171.8	174.1	0	0	0	0	110.1	G21 S28 I29 I150	G21-V25 WeakPolarHBondContact O-CG2 3.43Å; G21-V25 PolarHBondContact O-N 3.36Å; V25-S28 PolarHBondContact O-N 3.43Å; V25-I29 HydrophobicContact CG1-CD1 3.96Å; V25-I29 VanDerWaalsContact O-CG1 3.22Å; V25-I29 WeakPolarHBondContact O-CG1 3.39Å; V25-I29 PolarHBondContact O-N 2.85Å; V25-I150 HydrophobicContact CG1-CG2 4.08Å
26	L	37	Very low	36.8	Very low	78 Å²	78	95.3 Å²	95.3	41%	0.408	53%	0.527	S	S	.	.	H	α-helix	trans	-62	-43.8	173.9	-72.3	165.6	0	0	0	111.3	L22 S23 S28 I29 E30	L22-L26 HydrophobicContact CD2-CD1 4.3Å; L22-L26 WeakPolarHBondContact O-CB 3.31Å; L22-L26 WeakPolarHBondContact O-CD1 3.36Å; L22-L26 WeakPolarHBondContact O-CG 3.46Å; L22-L26 PolarHBondContact O-N 3.14Å; S23-L26 PolarHBondContact O-N 3.16Å; L26-S28 VanDerWaalsContact C-N 3.28Å; L26-S28 PolarHBondContact O-N 3.01Å; L26-I29 WeakPolarHBondContact O-CB 3.17Å; L26-I29 PolarHBondContact O-N 3.04Å; L26-E30 WeakPolarHBondContact O-CG 3.28Å; L26-E30 PolarHBondContact O-N 2.97Å
27	S	35.5	Very low	36.4	Very low	35 Å²	35	90.5 Å²	90.5	25%	0.245	50%	0.504	C	S	.	.	H	α-helix	trans	-66.4	-27.9	176.5	89.8	0	0	0	0	113.9	S23 D24 E30 K31	S23-S27 PolarHBondContact O-N 3.27Å; D24-S27 PolarHBondContact O-N 3.25Å; D24-S27 PolarHBondContact O-OG 3.12Å; S27-E30 WeakPolarHBondContact CA-OE2 3.34Å; S27-E30 WeakPolarHBondContact O-CB 3.09Å; S27-K31 PolarHBondContact O-N 3.48Å
28	S	36.2	Very low	36	Very low	67 Å²	67	91.9 Å²	91.9	47%	0.469	52%	0.516	S	S	.	.	H	α-helix	trans	-77.5	-35	174.8	-64.3	0	0	0	0	111.3	D24 V25 L26 E30 K31 G32	D24-S28 WeakPolarHBondContact O-CB 3.46Å; D24-S28 PolarHBondContact O-N 3.41Å; D24-S28 PolarHBondContact O-OG 2.93Å; V25-S28 PolarHBondContact O-N 3.43Å; L26-S28 VanDerWaalsContact C-N 3.28Å; L26-S28 PolarHBondContact O-N 3.01Å; S28-E30 VanDerWaalsContact C-N 3.33Å; S28-K31 PolarHBondContact O-N 3.05Å; S28-G32 PolarHBondContact O-N 3.06Å; S28-G32 VanDerWaalsContact O-N 3.17Å
29	I	34.8	Very low	35.3	Very low	42 Å²	42	95.2 Å²	95.2	22%	0.215	53%	0.531	C	S	.	.	H	α-helix	trans	-63.7	-40.8	170.1	-66.8	164.7	0	0	0	110.2	V25 L26 K31 G32 L33 I150	V25-I29 HydrophobicContact CG1-CD1 3.96Å; V25-I29 VanDerWaalsContact O-CG1 3.22Å; V25-I29 WeakPolarHBondContact O-CG1 3.39Å; V25-I29 PolarHBondContact O-N 2.85Å; L26-I29 WeakPolarHBondContact O-CB 3.17Å; L26-I29 PolarHBondContact O-N 3.04Å; I29-K31 PolarHBondContact O-N 3.29Å; I29-G32 PolarHBondContact O-N 3.1Å; I29-G32 VanDerWaalsContact O-N 3.13Å; I29-L33 HydrophobicContact CG2-CD1 3.47Å; I29-L33 VanDerWaalsContact CG2-CD1 3.47Å; I29-L33 HydrophobicContact CG2-CG 4.25Å; I29-L33 PolarHBondContact O-N 3.43Å; I29-I150 HydrophobicContact CD1-CD1 4.23Å; I29-I150 HydrophobicContact CD1-CG1 4.1Å; I29-I150 HydrophobicContact CD1-CG2 3.73Å; I29-I150 HydrophobicContact CG1-CG2 4.42Å
30	E	34.3	Very low	34.9	Very low	109 Å²	109	96.5 Å²	96.5	51%	0.509	52%	0.523	S	S	.	.	H	α-helix	trans	-56.4	-36.3	174.1	-76.8	164.7	-165.7	0	0	112.4	L26 S27 S28	L26-E30 WeakPolarHBondContact O-CG 3.28Å; L26-E30 PolarHBondContact O-N 2.97Å; S27-E30 WeakPolarHBondContact CA-OE2 3.34Å; S27-E30 WeakPolarHBondContact O-CB 3.09Å; S28-E30 VanDerWaalsContact C-N 3.33Å
31	K	35.1	Very low	34.9	Very low	183 Å²	183	89.4 Å²	89.4	80%	0.796	50%	0.495	S	S	*	.	H	α-helix	trans	-80.2	-24.8	177.8	-71.5	176.5	-176.7	171.8	0	113.9	S27 S28 I29	S27-K31 PolarHBondContact O-N 3.48Å; S28-K31 PolarHBondContact O-N 3.05Å; I29-K31 PolarHBondContact O-N 3.29Å
32	G	32.2	Very low	34.8	Very low	51 Å²	51	94.8 Å²	94.8	53%	0.526	51%	0.514	S	S	.	.	H	α-helix	trans	-90.9	-23.6	-171.2	0	0	0	0	0	115.6	S28 I29 G34	S28-G32 PolarHBondContact O-N 3.06Å; S28-G32 VanDerWaalsContact O-N 3.17Å; I29-G32 PolarHBondContact O-N 3.1Å; I29-G32 VanDerWaalsContact O-N 3.13Å; G32-G34 PolarHBondContact O-N 3.36Å
33	L	32.5	Very low	34.7	Very low	70 Å²	70	97.1 Å²	97.1	37%	0.366	52%	0.52	S	S	.	.			trans	-98.8	89.7	-170.5	-64.9	173.4	0	0	0	112.1	I29 M153	I29-L33 HydrophobicContact CG2-CD1 3.47Å; I29-L33 VanDerWaalsContact CG2-CD1 3.47Å; I29-L33 HydrophobicContact CG2-CG 4.25Å; I29-L33 PolarHBondContact O-N 3.43Å; L33-M153 HydrophobicContact CD1-CE 3.54Å; L33-M153 HydrophobicContact CD2-CE 3.53Å; L33-M153 HydrophobicContact CG-CE 4.15Å
34	G	34.2	Very low	34.9	Very low	48 Å²	48	95.1 Å²	95.1	50%	0.495	50%	0.504	S	S	.	.			trans	-65.9	178.5	173.4	0	0	0	0	0	114.9	G32 R36	G32-G34 PolarHBondContact O-N 3.36Å; G34-R36 PolarHBondContact O-N 2.62Å
35	P	34.5	Very low	34.8	Very low	132 Å²	132	91.8 Å²	91.8	86%	0.857	49%	0.489	S	S	*	.	G	3₁₀ helix	trans	-67.9	7.3	-164.7	25.5	-35	0	0	0	117	Q37	P35-Q37 PolarHBondContact O-N 3.03Å; P35-Q37 VanDerWaalsContact O-N 3.16Å
36	R	31.8	Very low	34.6	Very low	228 Å²	228	93.6 Å²	93.6	86%	0.86	49%	0.494	S	S	*	.	G	3₁₀ helix	trans	-71.1	-4	-178.1	-98.9	-174	170.7	176.5	-1.9	115	G34	G34-R36 PolarHBondContact O-N 2.62Å
37	Q	33.2	Very low	34.6	Very low	56 Å²	56	96.1 Å²	96.1	26%	0.262	50%	0.501	S	S	.	.	G	3₁₀ helix	trans	-92.5	-9.6	-177.7	-77.1	176.9	-13.6	0	0	115.3	P35 Q39 Y40 T41	P35-Q37 PolarHBondContact O-N 3.03Å; P35-Q37 VanDerWaalsContact O-N 3.16Å; Q37-Q39 VanDerWaalsContact C-N 3.26Å; Q37-Q39 PolarHBondContact O-N 2.9Å; Q37-Y40 PolarHBondContact O-N 3.21Å; Q37-T41 PolarHBondContact O-OG1 3.17Å
38	A	29.2	Very low	34.5	Very low	77 Å²	77	96.2 Å²	96.2	64%	0.636	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-22.2	-178.6	0	0	0	0	0	114.4	T41	A38-T41 PolarHBondContact O-OG1 2.99Å
39	Q	29.2	Very low	34.4	Very low	162 Å²	162	101.3 Å²	101.3	76%	0.757	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-26.4	178.6	-89.5	-175.4	-17.5	0	0	114	Q37 T41	Q37-Q39 VanDerWaalsContact C-N 3.26Å; Q37-Q39 PolarHBondContact O-N 2.9Å; Q39-T41 VanDerWaalsContact C-N 3.27Å; Q39-T41 PolarHBondContact O-N 3.33Å
40	Y	33.4	Very low	34.2	Very low	132 Å²	132	104.6 Å²	104.6	52%	0.518	53%	0.525	S	S	.	.	H	α-helix	trans	-77.8	-19.1	-177.5	-66.6	-82.1	0	0	0	112.2	Q37	Q37-Y40 PolarHBondContact O-N 3.21Å
41	T	36.2	Very low	33.8	Very low	33 Å²	33	101.5 Å²	101.5	20%	0.202	52%	0.522	C	S	.	.	H	α-helix	trans	-60.9	-43.4	175.4	-37	0	0	0	0	113.2	Q37 A38 Q39 T44 S45 Y76	Q37-T41 PolarHBondContact O-OG1 3.17Å; A38-T41 PolarHBondContact O-OG1 2.99Å; Q39-T41 VanDerWaalsContact C-N 3.27Å; Q39-T41 PolarHBondContact O-N 3.33Å; T41-T44 PolarHBondContact O-N 3.5Å; T41-S45 WeakPolarHBondContact O-CB 3.46Å; T41-S45 PolarHBondContact O-N 2.86Å; T41-S45 PolarHBondContact O-OG 3.24Å; T41-S45 VanDerWaalsContact O-OG 3.05Å; T41-Y76 WeakPolarHBondContact CB-OH 2.96Å; T41-Y76 HydrophobicContact CG2-CE1 3.85Å; T41-Y76 WeakPolarHBondContact CG2-OH 3.24Å; T41-Y76 PolarHBondContact OG1-OH 2.98Å
42	E	36.4	Very low	33.6	Very low	134 Å²	134	94.6 Å²	94.6	63%	0.626	49%	0.492	S	S	*	.	H	α-helix	trans	-69.6	-43.8	-161.2	-165.2	171.2	-159.5	0	0	111.8	T44 S45 E46	E42-T44 PolarHBondContact O-N 3.45Å; E42-S45 WeakPolarHBondContact CA-OG 3.48Å; E42-S45 PolarHBondContact O-N 3.29Å; E42-S45 PolarHBondContact O-OG 3.36Å; E42-E46 WeakPolarHBondContact O-CB 3.28Å; E42-E46 PolarHBondContact O-N 2.81Å
43	K	38.3	Very low	33.8	Very low	160 Å²	160	95.7 Å²	95.7	70%	0.696	48%	0.483	S	S	*	.	H	α-helix	trans	-63.9	-29.5	179	-72.1	-173.1	177.8	-180	0	113.3	K47	K43-K47 WeakPolarHBondContact O-CD 3.5Å; K43-K47 VanDerWaalsContact O-CG 3.29Å; K43-K47 WeakPolarHBondContact O-CG 3.45Å
44	T	38	Very low	34.1	Very low	39 Å²	39	93.1 Å²	93.1	24%	0.239	47%	0.47	C	S	.	.	H	α-helix	trans	-89.6	-37.6	-178	-52.7	0	0	0	0	111	T41 E42 K47 I48	T41-T44 PolarHBondContact O-N 3.5Å; E42-T44 PolarHBondContact O-N 3.45Å; T44-K47 PolarHBondContact O-N 2.62Å; T44-I48 HydrophobicContact CG2-CD1 4.24Å; T44-I48 WeakPolarHBondContact O-CG1 3.36Å; T44-I48 PolarHBondContact O-N 3.09Å
45	S	36.7	Very low	34.3	Very low	33 Å²	33	93 Å²	93	23%	0.231	46%	0.456	C	S	.	.	H	α-helix	trans	-64	-43.8	172.6	57.3	0	0	0	0	111.6	T41 E42 K47 I48 E49	T41-S45 WeakPolarHBondContact O-CB 3.46Å; T41-S45 PolarHBondContact O-N 2.86Å; T41-S45 PolarHBondContact O-OG 3.24Å; T41-S45 VanDerWaalsContact O-OG 3.05Å; E42-S45 WeakPolarHBondContact CA-OG 3.48Å; E42-S45 PolarHBondContact O-N 3.29Å; E42-S45 PolarHBondContact O-OG 3.36Å; S45-K47 VanDerWaalsContact C-N 3.27Å; S45-K47 PolarHBondContact O-N 3.19Å; S45-I48 PolarHBondContact O-N 2.85Å; S45-I48 VanDerWaalsContact O-N 3.13Å; S45-E49 WeakPolarHBondContact O-CB 3.43Å; S45-E49 PolarHBondContact O-N 1.99Å
46	E	37.4	Very low	34.6	Very low	97 Å²	97	87.7 Å²	87.7	45%	0.453	43%	0.426	S	S	.	.	H	α-helix	trans	-65.1	-30.4	-178.4	-159.8	-166.7	166.7	0	0	112.7	E42 R50	E42-E46 WeakPolarHBondContact O-CB 3.28Å; E42-E46 PolarHBondContact O-N 2.81Å; E46-R50 VanDerWaalsContact CD-NH2 3.31Å; E46-R50 WeakPolarHBondContact O-CG 2.98Å; E46-R50 PolarHBondContact O-NE 3.23Å; E46-R50 VanDerWaalsContact O-NE 3.12Å; E46-R50 IonicContact OE1-CZ 2.82Å; E46-R50 IonicContact OE1-NH2 2.66Å; E46-R50 PolarHBondContact OE1-NH2 2.85Å
47	K	37	Very low	34.8	Very low	131 Å²	131	84.5 Å²	84.5	57%	0.57	42%	0.418	S	S	*	.	H	α-helix	trans	-73.5	-27.6	176	-76.6	178.2	-179	-175.1	0	113.3	K43 T44 S45 K52	K43-K47 WeakPolarHBondContact O-CD 3.5Å; K43-K47 VanDerWaalsContact O-CG 3.29Å; K43-K47 WeakPolarHBondContact O-CG 3.45Å; T44-K47 PolarHBondContact O-N 2.62Å; S45-K47 VanDerWaalsContact C-N 3.27Å; S45-K47 PolarHBondContact O-N 3.19Å; K47-K52 WeakPolarHBondContact O-CB 3.05Å
48	I	34.1	Very low	35.1	Very low	36 Å²	36	85.2 Å²	85.2	19%	0.185	42%	0.424	C	S	.	.	H	α-helix	trans	-103.1	-31.8	-173.6	-60.5	174.2	0	0	0	112.2	T44 S45 R50 G51 L54	T44-I48 HydrophobicContact CG2-CD1 4.24Å; T44-I48 WeakPolarHBondContact O-CG1 3.36Å; T44-I48 PolarHBondContact O-N 3.09Å; S45-I48 PolarHBondContact O-N 2.85Å; S45-I48 VanDerWaalsContact O-N 3.13Å; I48-R50 PolarHBondContact O-N 2.99Å; I48-R50 VanDerWaalsContact O-N 3.17Å; I48-G51 PolarHBondContact O-N 3.33Å; I48-L54 HydrophobicContact CD1-CD1 4.37Å
49	E	33.7	Very low	35.4	Very low	174 Å²	174	83.4 Å²	83.4	81%	0.813	41%	0.412	S	S	*	.	H	α-helix	trans	-56.3	-29.2	170.7	-83.7	-169.6	160.5	0	0	111.8	S45 G51	S45-E49 WeakPolarHBondContact O-CB 3.43Å; S45-E49 PolarHBondContact O-N 1.99Å; E49-G51 PolarHBondContact O-N 2.82Å
50	R	31.1	Very low	36.1	Very low	111 Å²	111	80.1 Å²	80.1	42%	0.419	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	23.2	170	-62.2	-173.3	-130.9	-165.7	-2.3	114	E46 I48 K52	E46-R50 VanDerWaalsContact CD-NH2 3.31Å; E46-R50 WeakPolarHBondContact O-CG 2.98Å; E46-R50 PolarHBondContact O-NE 3.23Å; E46-R50 VanDerWaalsContact O-NE 3.12Å; E46-R50 IonicContact OE1-CZ 2.82Å; E46-R50 IonicContact OE1-NH2 2.66Å; E46-R50 PolarHBondContact OE1-NH2 2.85Å; I48-R50 PolarHBondContact O-N 2.99Å; I48-R50 VanDerWaalsContact O-N 3.17Å; R50-K52 HydrophobicContact CB-CD 4.4Å; R50-K52 HydrophobicContact CB-CG 4.02Å; R50-K52 VanDerWaalsContact O-CG 3.23Å; R50-K52 WeakPolarHBondContact O-CG 2.95Å; R50-K52 PolarHBondContact O-N 2.95Å
51	G	25.2	Very low	36.2	Very low	44 Å²	44	76.9 Å²	76.9	45%	0.454	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.2	10.5	175.6	0	0	0	0	0	116	I48 E49 Q53	I48-G51 PolarHBondContact O-N 3.33Å; E49-G51 PolarHBondContact O-N 2.82Å; G51-Q53 PolarHBondContact O-N 3.24Å
52	K	32.1	Very low	36.3	Very low	38 Å²	38	75.7 Å²	75.7	17%	0.165	38%	0.384	C	S	.	.			trans	-76.1	127	-168.7	-53.7	-169.4	172.5	-171.5	0	111.6	K47 R50 L54 V98 E100	K47-K52 WeakPolarHBondContact O-CB 3.05Å; R50-K52 HydrophobicContact CB-CD 4.4Å; R50-K52 HydrophobicContact CB-CG 4.02Å; R50-K52 VanDerWaalsContact O-CG 3.23Å; R50-K52 WeakPolarHBondContact O-CG 2.95Å; R50-K52 PolarHBondContact O-N 2.95Å; K52-L54 PolarHBondContact O-N 3.34Å; K52-V98 HydrophobicContact CB-CG1 3.36Å; K52-V98 HydrophobicContact CD-CG1 3.72Å; K52-V98 HydrophobicContact CG-CG1 4.12Å; K52-E100 HydrophobicContact CD-CG 4.21Å; K52-E100 IonicContact NZ-OE1 2.73Å; K52-E100 PolarHBondContact NZ-OE1 2.86Å
53	Q	36.7	Very low	36.2	Very low	74 Å²	74	71.4 Å²	71.4	35%	0.346	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	107.3	-178.3	-171.2	164.4	39	0	0	109.3	G51 P61 D99	G51-Q53 PolarHBondContact O-N 3.24Å; Q53-P61 HydrophobicContact CG-CB 3.56Å; Q53-D99 PolarHBondContact N-O 3.48Å; Q53-D99 WeakPolarHBondContact O-CA 3.22Å; Q53-D99 VanDerWaalsContact O-CB 3.28Å; Q53-D99 WeakPolarHBondContact O-CB 3.11Å; Q53-D99 PolarHBondContact O-N 2.91Å
54	L	38.4	Very low	36.1	Very low	17 Å²	17	65.6 Å²	65.6	9%	0.089	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	143.9	172.4	-81.8	175.8	0	0	0	110.8	I48 K52 P61 A62 F64 V96 E97 V98	I48-L54 HydrophobicContact CD1-CD1 4.37Å; K52-L54 PolarHBondContact O-N 3.34Å; L54-P61 CarbonylContact O-C 3.55Å; L54-P61 WeakPolarHBondContact O-CA 3.15Å; L54-A62 HydrophobicContact CB-CB 4.39Å; L54-A62 WeakPolarHBondContact O-CA 3.04Å; L54-A62 WeakPolarHBondContact O-CB 3.46Å; L54-A62 PolarHBondContact O-N 3.35Å; L54-F64 HydrophobicContact CB-CD2 4.06Å; L54-F64 HydrophobicContact CB-CE2 3.42Å; L54-F64 VanDerWaalsContact CB-CE2 3.42Å; L54-F64 HydrophobicContact CB-CZ 4.34Å; L54-F64 HydrophobicContact CD1-CD2 3.77Å; L54-F64 HydrophobicContact CD1-CE2 3.27Å; L54-F64 HydrophobicContact CD1-CZ 3.67Å; L54-F64 HydrophobicContact CG-CD2 4.42Å; L54-F64 HydrophobicContact CG-CE2 3.94Å; L54-V96 HydrophobicContact CB-CG1 3.48Å; L54-V96 VanDerWaalsContact CB-CG1 3.48Å; L54-V96 HydrophobicContact CD1-CG1 4.28Å; L54-V96 HydrophobicContact CD2-CB 4.11Å; L54-V96 HydrophobicContact CD2-CG1 3.59Å; L54-V96 HydrophobicContact CG-CG1 3.95Å; L54-E97 CarbonylContact C-O 3.48Å; L54-E97 WeakPolarHBondContact CA-O 3.22Å; L54-V98 HydrophobicContact CD2-CB 4.19Å; L54-V98 HydrophobicContact CD2-CG2 3.34Å; L54-V98 HydrophobicContact CG-CG2 4.46Å
55	K	38.2	Very low	35.8	Very low	44 Å²	44	65.8 Å²	65.8	19%	0.191	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	129.4	178.6	-74.6	172.3	169	159	0	109.5	K60 V96 E97 D99	K55-K60 CarbonylContact C-O 3.47Å; K55-K60 WeakPolarHBondContact CA-O 3.38Å; K55-V96 CarbonylContact O-C 3.38Å; K55-V96 WeakPolarHBondContact O-CA 3.23Å; K55-V96 WeakPolarHBondContact O-CG1 3.41Å; K55-E97 WeakPolarHBondContact CA-O 3.49Å; K55-E97 HydrophobicContact CB-CB 4.16Å; K55-E97 VanDerWaalsContact CB-O 3.31Å; K55-E97 WeakPolarHBondContact CB-O 3.22Å; K55-E97 PolarHBondContact N-O 3.45Å; K55-E97 PolarHBondContact O-N 3.01Å; K55-D99 HydrophobicContact CD-CB 4.08Å; K55-D99 WeakPolarHBondContact CE-OD2 3.33Å; K55-D99 HydrophobicContact CG-CB 4.27Å; K55-D99 IonicContact NZ-OD1 3.85Å; K55-D99 PolarHBondContact NZ-OD1 3.33Å; K55-D99 IonicContact NZ-OD2 2.99Å; K55-D99 PolarHBondContact NZ-OD2 3.43Å
56	G	40.4	Very low	35.6	Very low	22 Å²	22	69.3 Å²	69.3	23%	0.227	36%	0.355	C	S	.	.			trans	-63.5	173.7	173.1	0	0	0	0	0	112.4	D58 G59 K60	G56-D58 WeakPolarHBondContact CA-OD1 2.9Å; G56-D58 PolarHBondContact O-N 3.01Å; G56-G59 PolarHBondContact O-N 3.42Å; G56-K60 PolarHBondContact N-O 2.88Å
57	K	35.4	Very low	35.2	Very low	160 Å²	160	71 Å²	71	70%	0.696	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-17.7	172.9	-73.8	-173.9	175.8	177.4	0	113.5	G59 D95	K57-G59 VanDerWaalsContact C-N 3.27Å; K57-D95 WeakPolarHBondContact CE-OD2 3.3Å; K57-D95 HydrophobicContact CG-CB 4.41Å; K57-D95 IonicContact NZ-OD2 2.82Å; K57-D95 PolarHBondContact NZ-OD2 3.02Å
58	D	39.9	Very low	34.7	Very low	72 Å²	72	74 Å²	74	39%	0.385	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	2.9	174.9	67.8	-20.9	0	0	0	113.5	G56 K60	G56-D58 WeakPolarHBondContact CA-OD1 2.9Å; G56-D58 PolarHBondContact O-N 3.01Å; D58-K60 HydrophobicContact CB-CG 4.5Å; D58-K60 PolarHBondContact O-N 3.45Å; D58-K60 PolarHBondContact OD1-N 3.5Å; D58-K60 VanDerWaalsContact OD1-N 3.16Å; D58-K60 WeakPolarHBondContact OD2-CB 2.93Å; D58-K60 WeakPolarHBondContact OD2-CD 3.35Å; D58-K60 WeakPolarHBondContact OD2-CG 3.04Å; D58-K60 IonicContact OD2-NZ 3.76Å
59	G	36	Very low	34.3	Very low	38 Å²	38	79.1 Å²	79.1	39%	0.392	40%	0.395	S	S	.	.	S	Bend	trans	73.7	5.2	-177.8	0	0	0	0	0	114	G56 K57	G56-G59 PolarHBondContact O-N 3.42Å; K57-G59 VanDerWaalsContact C-N 3.27Å
60	K	42.8	Very low	34	Very low	93 Å²	93	72.5 Å²	72.5	40%	0.404	37%	0.374	S	S	.	.			trans	-99.3	146.8	-173.9	-60.4	-176.3	-157.1	157.7	0	111.9	K55 G56 D58 A62 D83	K55-K60 CarbonylContact C-O 3.47Å; K55-K60 WeakPolarHBondContact CA-O 3.38Å; G56-K60 PolarHBondContact N-O 2.88Å; D58-K60 HydrophobicContact CB-CG 4.5Å; D58-K60 PolarHBondContact O-N 3.45Å; D58-K60 PolarHBondContact OD1-N 3.5Å; D58-K60 VanDerWaalsContact OD1-N 3.16Å; D58-K60 WeakPolarHBondContact OD2-CB 2.93Å; D58-K60 WeakPolarHBondContact OD2-CD 3.35Å; D58-K60 WeakPolarHBondContact OD2-CG 3.04Å; D58-K60 IonicContact OD2-NZ 3.76Å; K60-A62 PolarHBondContact O-N 3.17Å; K60-A62 VanDerWaalsContact O-N 3.14Å; K60-D83 IonicContact NZ-OD2 2.65Å; K60-D83 PolarHBondContact NZ-OD2 2.95Å
61	P	36.8	Very low	33.9	Very low	65 Å²	65	72.8 Å²	72.8	42%	0.422	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	114.3	-176.9	21.1	-31.5	0	0	0	113.4	Q53 L54 S63	Q53-P61 HydrophobicContact CG-CB 3.56Å; L54-P61 CarbonylContact O-C 3.55Å; L54-P61 WeakPolarHBondContact O-CA 3.15Å; P61-S63 PolarHBondContact O-N 3.06Å
62	A	38.7	Very low	34.4	Very low	8 Å²	8	75.7 Å²	75.7	7%	0.066	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	109.9	161.4	0	0	0	0	0	109.3	L54 K60 F64	L54-A62 HydrophobicContact CB-CB 4.39Å; L54-A62 WeakPolarHBondContact O-CA 3.04Å; L54-A62 WeakPolarHBondContact O-CB 3.46Å; L54-A62 PolarHBondContact O-N 3.35Å; K60-A62 PolarHBondContact O-N 3.17Å; K60-A62 VanDerWaalsContact O-N 3.14Å; A62-F64 HydrophobicContact CB-CD2 4.41Å; A62-F64 HydrophobicContact CB-CE2 3.53Å; A62-F64 HydrophobicContact CB-CZ 4.02Å; A62-F64 WeakPolarHBondContact O-CD2 3.36Å
63	S	32.8	Very low	34.3	Very low	44 Å²	44	79.4 Å²	79.4	31%	0.308	42%	0.417	S	S	.	.			trans	-91.3	112.8	174.1	49.9	0	0	0	0	110.8	P61 W81	P61-S63 PolarHBondContact O-N 3.06Å; S63-W81 PolarHBondContact OG-NE1 3.06Å
64	F	37.6	Very low	34	Very low	37 Å²	37	80.5 Å²	80.5	16%	0.162	43%	0.428	C	S	.	.			trans	-88.5	129.6	175.2	-63.3	-92	0	0	0	109.2	L54 A62 H78 V80	L54-F64 HydrophobicContact CB-CD2 4.06Å; L54-F64 HydrophobicContact CB-CE2 3.42Å; L54-F64 VanDerWaalsContact CB-CE2 3.42Å; L54-F64 HydrophobicContact CB-CZ 4.34Å; L54-F64 HydrophobicContact CD1-CD2 3.77Å; L54-F64 HydrophobicContact CD1-CE2 3.27Å; L54-F64 HydrophobicContact CD1-CZ 3.67Å; L54-F64 HydrophobicContact CG-CD2 4.42Å; L54-F64 HydrophobicContact CG-CE2 3.94Å; A62-F64 HydrophobicContact CB-CD2 4.41Å; A62-F64 HydrophobicContact CB-CE2 3.53Å; A62-F64 HydrophobicContact CB-CZ 4.02Å; A62-F64 WeakPolarHBondContact O-CD2 3.36Å; F64-H78 HydrophobicContact CD1-CB 3.6Å; F64-H78 AromaticContact CD1-CG 3.58Å; F64-H78 AromaticContact CD1-ND1 2.95Å; F64-H78 WeakPolarHBondContact CD1-ND1 3.21Å; F64-H78 HydrophobicContact CE1-CB 3.58Å; F64-H78 AromaticContact CE1-CG 3.61Å; F64-H78 AromaticContact CE1-ND1 2.98Å; F64-H78 WeakPolarHBondContact CE1-ND1 3.48Å; F64-V80 HydrophobicContact CE1-CG2 3.87Å; F64-V80 HydrophobicContact CZ-CG2 4.31Å
65	S	30.6	Very low	33.8	Very low	43 Å²	43	83.8 Å²	83.8	30%	0.301	44%	0.442	S	S	.	.			trans	-117.2	115.8	170	-46.7	0	0	0	0	107.3
66	W	32.3	Very low	33.7	Very low	107 Å²	107	84.9 Å²	84.9	41%	0.405	45%	0.445	S	S	.	.			trans	-69	131.2	167.4	-85.9	72.2	0	0	0	108.8	K75 Y76	W66-K75 HydrophobicContact CE3-CB 4.32Å; W66-K75 HydrophobicContact CE3-CD 4.34Å; W66-K75 HydrophobicContact CH2-CB 4.11Å; W66-K75 VanDerWaalsContact CH2-O 3.22Å; W66-K75 WeakPolarHBondContact CH2-O 3.45Å; W66-K75 HydrophobicContact CZ3-CB 3.45Å; W66-K75 VanDerWaalsContact CZ3-CB 3.45Å; W66-K75 HydrophobicContact CZ3-CD 3.63Å; W66-K75 HydrophobicContact CZ3-CG 4.22Å; W66-K75 WeakPolarHBondContact CZ3-O 3.35Å; W66-Y76 AromaticContact CH2-CD1 3.94Å; W66-Y76 HydrophobicContact CH2-CD1 3.94Å; W66-Y76 AromaticContact CH2-CE1 3.74Å; W66-Y76 HydrophobicContact CH2-CE1 3.74Å; W66-Y76 HydrophobicContact CZ2-CD1 4.15Å; W66-Y76 HydrophobicContact CZ2-CE1 4.18Å
67	Y	29.4	Very low	33.3	Very low	132 Å²	132	89.4 Å²	89.4	52%	0.518	46%	0.456	S	S	.	.			trans	-105.5	136	164.7	-69.6	-86	0	0	0	107.9	K79	Y67-K79 HydrophobicContact CE2-CD 4.4Å; Y67-K79 PolarHBondContact OH-NZ 3.05Å
68	E	25.8	Very low	33.5	Very low	195 Å²	195	82 Å²	82	91%	0.911	42%	0.424	S	S	*	.			trans	-55.8	166.7	-176.4	-80.8	-176.8	135.6	0	0	114.5	G70	E68-G70 PolarHBondContact O-N 2.92Å
69	K	26.1	Very low	33.2	Very low	144 Å²	144	80.1 Å²	80.1	63%	0.626	41%	0.412	S	S	*	.			trans	-30.8	111.2	-176.8	-77.6	179.2	171.3	-179.4	0	113.9
70	G	28.8	Very low	33.3	Very low	35 Å²	35	78.7 Å²	78.7	36%	0.361	40%	0.396	S	S	.	.			trans	-66.4	161.7	152.6	0	0	0	0	0	110.5	E68 D72	E68-G70 PolarHBondContact O-N 2.92Å; G70-D72 PolarHBondContact O-N 3.46Å
71	P	28.2	Very low	33	Very low	117 Å²	117	78 Å²	78	76%	0.76	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51	134.1	165.6	23.5	-30.5	0	0	0	108.3
72	D	36.3	Very low	32.9	Very low	104 Å²	104	76.3 Å²	76.3	56%	0.556	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.2	25.2	175.9	-48.3	-37.3	0	0	0	119	G70 V74	G70-D72 PolarHBondContact O-N 3.46Å; D72-V74 PolarHBondContact O-N 3.35Å
73	N	30.3	Very low	32.6	Very low	117 Å²	117	77.7 Å²	77.7	63%	0.626	38%	0.382	S	S	*	.	S	Bend	trans	60.3	7.5	166.7	-71.6	-42.5	0	0	0	115.9	K75	N73-K75 PolarHBondContact O-N 3.42Å
74	V	30.2	Very low	32.5	Very low	96 Å²	96	82.9 Å²	82.9	58%	0.582	40%	0.399	S	S	*	.			trans	-80.5	116.5	173.4	-172.8	0	0	0	0	108.7	D72	D72-V74 PolarHBondContact O-N 3.35Å
75	K	32.8	Very low	32.7	Very low	86 Å²	86	87.6 Å²	87.6	37%	0.374	43%	0.426	S	S	.	.			trans	-128.7	80.5	-173.1	-56.7	-175.9	-173.3	176.7	0	113.4	W66 N73	W66-K75 HydrophobicContact CE3-CB 4.32Å; W66-K75 HydrophobicContact CE3-CD 4.34Å; W66-K75 HydrophobicContact CH2-CB 4.11Å; W66-K75 VanDerWaalsContact CH2-O 3.22Å; W66-K75 WeakPolarHBondContact CH2-O 3.45Å; W66-K75 HydrophobicContact CZ3-CB 3.45Å; W66-K75 VanDerWaalsContact CZ3-CB 3.45Å; W66-K75 HydrophobicContact CZ3-CD 3.63Å; W66-K75 HydrophobicContact CZ3-CG 4.22Å; W66-K75 WeakPolarHBondContact CZ3-O 3.35Å; N73-K75 PolarHBondContact O-N 3.42Å
76	Y	37.3	Very low	33.1	Very low	67 Å²	67	89.6 Å²	89.6	26%	0.263	43%	0.434	S	S	.	.			trans	-151.5	78.9	164.1	-52.1	-79.6	0	0	0	112.5	T41 W66	T41-Y76 WeakPolarHBondContact CB-OH 2.96Å; T41-Y76 HydrophobicContact CG2-CE1 3.85Å; T41-Y76 WeakPolarHBondContact CG2-OH 3.24Å; T41-Y76 PolarHBondContact OG1-OH 2.98Å; W66-Y76 AromaticContact CH2-CD1 3.94Å; W66-Y76 HydrophobicContact CH2-CD1 3.94Å; W66-Y76 AromaticContact CH2-CE1 3.74Å; W66-Y76 HydrophobicContact CH2-CE1 3.74Å; W66-Y76 HydrophobicContact CZ2-CD1 4.15Å; W66-Y76 HydrophobicContact CZ2-CE1 4.18Å
77	Y	32.2	Very low	33.6	Very low	117 Å²	117	93.4 Å²	93.4	46%	0.459	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	116.5	160.9	-64.3	-77	0	0	0	108.7	Y129 F131	Y77-Y129 HydrophobicContact CD1-CD1 4.41Å; Y77-F131 HydrophobicContact CD1-CE1 4.48Å; Y77-F131 HydrophobicContact CD1-CZ 4.44Å; Y77-F131 HydrophobicContact CE1-CD1 4.17Å; Y77-F131 AromaticContact CE1-CE1 3.58Å; Y77-F131 HydrophobicContact CE1-CE1 3.58Å; Y77-F131 HydrophobicContact CE1-CE2 4.15Å; Y77-F131 AromaticContact CE1-CZ 3.58Å; Y77-F131 HydrophobicContact CE1-CZ 3.58Å
78	H	37.9	Very low	34.1	Very low	6 Å²	6	93.9 Å²	93.9	3%	0.028	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	118.6	171.5	-74.3	-108.7	0	0	0	108.1	F64 V80 C130 V132	F64-H78 HydrophobicContact CD1-CB 3.6Å; F64-H78 AromaticContact CD1-CG 3.58Å; F64-H78 AromaticContact CD1-ND1 2.95Å; F64-H78 WeakPolarHBondContact CD1-ND1 3.21Å; F64-H78 HydrophobicContact CE1-CB 3.58Å; F64-H78 AromaticContact CE1-CG 3.61Å; F64-H78 AromaticContact CE1-ND1 2.98Å; F64-H78 WeakPolarHBondContact CE1-ND1 3.48Å; H78-V80 HydrophobicContact CB-CG2 4.09Å; H78-V80 PolarHBondContact O-N 3.49Å; H78-C130 HydrophobicContact CB-CB 4.05Å; H78-C130 PolarHBondContact N-O 3.34Å; H78-C130 VanDerWaalsContact N-O 3.09Å; H78-C130 WeakPolarHBondContact O-CB 3.5Å; H78-C130 PolarHBondContact O-N 2.87Å; H78-V132 WeakPolarHBondContact CD2-CG2 3.25Å; H78-V132 WeakPolarHBondContact NE2-CG2 3.29Å
79	K	34.7	Very low	35.2	Very low	32 Å²	32	86.5 Å²	86.5	14%	0.139	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	109.7	166.1	-169.4	177.8	-176.5	178	0	106.9	Y67	Y67-K79 HydrophobicContact CE2-CD 4.4Å; Y67-K79 PolarHBondContact OH-NZ 3.05Å
80	V	38.4	Very low	35.9	Very low	7 Å²	7	83.5 Å²	83.5	4%	0.042	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	133.4	177.3	-173.4	0	0	0	0	107.5	F64 H78 Y82 F91 V128 C130	F64-V80 HydrophobicContact CE1-CG2 3.87Å; F64-V80 HydrophobicContact CZ-CG2 4.31Å; H78-V80 HydrophobicContact CB-CG2 4.09Å; H78-V80 PolarHBondContact O-N 3.49Å; V80-Y82 HydrophobicContact CB-CD2 4.28Å; V80-Y82 HydrophobicContact CB-CE2 3.61Å; V80-Y82 HydrophobicContact CG1-CD2 4.06Å; V80-Y82 HydrophobicContact CG1-CE1 4.22Å; V80-Y82 HydrophobicContact CG1-CE2 3.52Å; V80-F91 HydrophobicContact CB-CE1 4.46Å; V80-F91 HydrophobicContact CG1-CE1 4.03Å; V80-F91 HydrophobicContact CG1-CZ 4.23Å; V80-F91 HydrophobicContact CG2-CE1 3.95Å; V80-F91 HydrophobicContact CG2-CZ 3.75Å; V80-V128 PolarHBondContact N-O 3.02Å; V80-C130 HydrophobicContact CG2-CB 4.03Å
81	W	36.2	Very low	36.7	Very low	80 Å²	80	83.1 Å²	83.1	30%	0.303	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	123.3	174	-65.4	86.8	0	0	0	108	S63 R125 K127	S63-W81 PolarHBondContact OG-NE1 3.06Å; W81-R125 HydrophobicContact CE3-CB 3.54Å; W81-R125 HydrophobicContact CE3-CG 4.19Å; W81-R125 HydrophobicContact CZ3-CB 3.82Å; W81-K127 HydrophobicContact CZ3-CG 4.41Å
82	Y	35.4	Very low	37.4	Very low	29 Å²	29	82.1 Å²	82.1	11%	0.114	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	148.6	173.8	-64.1	-91.8	0	0	0	110	V80 I89 F91 V128 A141	V80-Y82 HydrophobicContact CB-CD2 4.28Å; V80-Y82 HydrophobicContact CB-CE2 3.61Å; V80-Y82 HydrophobicContact CG1-CD2 4.06Å; V80-Y82 HydrophobicContact CG1-CE1 4.22Å; V80-Y82 HydrophobicContact CG1-CE2 3.52Å; Y82-I89 HydrophobicContact CE1-CG2 4.49Å; Y82-I89 HydrophobicContact CE2-CG2 4.38Å; Y82-I89 PolarHBondContact OH-O 3.37Å; Y82-F91 HydrophobicContact CE1-CD1 4.48Å; Y82-F91 VanDerWaalsContact OH-CD1 3.28Å; Y82-F91 WeakPolarHBondContact OH-CD1 3.06Å; Y82-F91 WeakPolarHBondContact OH-CE1 3.16Å; Y82-V128 HydrophobicContact CD2-CB 4.01Å; Y82-V128 HydrophobicContact CD2-CG2 3.73Å; Y82-V128 HydrophobicContact CE2-CB 3.96Å; Y82-V128 HydrophobicContact CE2-CG2 4.15Å; Y82-A141 HydrophobicContact CE2-CB 3.86Å; Y82-A141 WeakPolarHBondContact OH-CB 3.43Å
83	D	32.2	Very low	37.8	Very low	36 Å²	36	78.4 Å²	78.4	19%	0.193	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	136.8	158.9	-78	-27.1	0	0	0	108.3	K60 N85 D86 V123	K60-D83 IonicContact NZ-OD2 2.65Å; K60-D83 PolarHBondContact NZ-OD2 2.95Å; D83-N85 PolarHBondContact O-N 3.2Å; D83-D86 PolarHBondContact O-N 3.42Å; D83-D86 VanDerWaalsContact O-N 3.14Å; D83-V123 HydrophobicContact CB-CG1 4.42Å
84	K	30.8	Very low	38.3	Very low	153 Å²	153	77.1 Å²	77.1	67%	0.665	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-15.9	-173	-174.6	176.2	-179.9	-172.6	0	114.7	A124	K84-A124 WeakPolarHBondContact CB-O 3.36Å; K84-A124 HydrophobicContact CD-CB 4.44Å
85	N	40.3	Very low	38.6	Very low	136 Å²	136	75.5 Å²	75.5	73%	0.727	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.1	-5.4	-173.8	-62.6	-19.9	0	0	0	114.2	D83 K87	D83-N85 PolarHBondContact O-N 3.2Å; N85-K87 PolarHBondContact O-N 2.9Å
86	D	40.8	Very low	39	Very low	85 Å²	85	72 Å²	72	46%	0.455	35%	0.348	S	S	.	.			trans	-73	119	175.6	-89.9	-28.4	0	0	0	110.8	D83	D83-D86 PolarHBondContact O-N 3.42Å; D83-D86 VanDerWaalsContact O-N 3.14Å
87	K	42.2	Very low	38.8	Very low	188 Å²	188	75.4 Å²	75.4	82%	0.817	37%	0.366	S	S	*	.			trans	-84.4	-24	177.6	-66.5	-177	180	178.7	0	112.4	N85	N85-K87 PolarHBondContact O-N 2.9Å
88	D	40.2	Very low	38.8	Very low	141 Å²	141	72.8 Å²	72.8	75%	0.754	36%	0.362	S	S	*	.			trans	-97.2	99.6	-175.2	-63.2	-26.6	0	0	0	109.3
89	I	47.6	Very low	38.4	Very low	41 Å²	41	75.3 Å²	75.3	21%	0.21	38%	0.376	C	S	.	.			trans	-100.7	-14.5	-169.7	-59.5	175.3	0	0	0	111.7	Y82 A141 N142	Y82-I89 HydrophobicContact CE1-CG2 4.49Å; Y82-I89 HydrophobicContact CE2-CG2 4.38Å; Y82-I89 PolarHBondContact OH-O 3.37Å; I89-A141 VanDerWaalsContact CG2-CA 3.46Å; I89-A141 HydrophobicContact CG2-CB 3.07Å; I89-N142 HydrophobicContact CB-CB 4.3Å; I89-N142 HydrophobicContact CD1-CB 4.28Å; I89-N142 HydrophobicContact CG2-CB 4.34Å
90	D	41.8	Very low	38	Very low	81 Å²	81	80.4 Å²	80.4	43%	0.433	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	119.7	174	-65.6	-24.3	0	0	0	109.5	H140 A145	D90-H140 VanDerWaalsContact CG-ND1 3.33Å; D90-H140 WeakPolarHBondContact OD1-CA 3.22Å; D90-H140 IonicContact OD1-CG 3.28Å; D90-H140 IonicContact OD1-ND1 3.69Å; D90-H140 PolarHBondContact OD1-ND1 3.25Å; D90-H140 IonicContact OD2-ND1 2.85Å; D90-A145 WeakPolarHBondContact OD1-CB 3.34Å; D90-A145 VanDerWaalsContact OD2-CB 3.29Å; D90-A145 WeakPolarHBondContact OD2-CB 3.19Å
91	F	45	Very low	37.5	Very low	27 Å²	27	83.1 Å²	83.1	12%	0.118	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	144.3	176.1	66.9	-85.4	0	0	0	110.6	V80 Y82 L93 V96 C139	V80-F91 HydrophobicContact CB-CE1 4.46Å; V80-F91 HydrophobicContact CG1-CE1 4.03Å; V80-F91 HydrophobicContact CG1-CZ 4.23Å; V80-F91 HydrophobicContact CG2-CE1 3.95Å; V80-F91 HydrophobicContact CG2-CZ 3.75Å; Y82-F91 HydrophobicContact CE1-CD1 4.48Å; Y82-F91 VanDerWaalsContact OH-CD1 3.28Å; Y82-F91 WeakPolarHBondContact OH-CD1 3.06Å; Y82-F91 WeakPolarHBondContact OH-CE1 3.16Å; F91-L93 HydrophobicContact CE2-CD2 4Å; F91-L93 HydrophobicContact CE2-CG 4.47Å; F91-V96 HydrophobicContact CD2-CG2 3.39Å; F91-V96 HydrophobicContact CE2-CG2 3.48Å; F91-V96 VanDerWaalsContact CE2-CG2 3.48Å; F91-C139 HydrophobicContact CD1-CB 4.17Å; F91-C139 HydrophobicContact CD2-CB 4.34Å; F91-C139 HydrophobicContact CE1-CB 3.57Å; F91-C139 HydrophobicContact CE2-CB 3.77Å; F91-C139 HydrophobicContact CZ-CB 3.36Å; F91-C139 PolarHBondContact N-O 3.05Å; F91-C139 PolarHBondContact O-N 3.03Å
92	K	43.2	Very low	37.1	Very low	95 Å²	95	86.2 Å²	86.2	41%	0.413	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	133.6	166.4	-63.3	-171.2	173	-164.3	0	108.7	S94 D95 E137 I138	K92-S94 VanDerWaalsContact CB-OG 3.28Å; K92-S94 WeakPolarHBondContact CB-OG 3.36Å; K92-S94 PolarHBondContact O-N 3.3Å; K92-D95 HydrophobicContact CB-CB 4.37Å; K92-D95 WeakPolarHBondContact O-CB 3.42Å; K92-D95 PolarHBondContact O-N 3.13Å; K92-E137 CarbonylContact C-O 3.44Å; K92-E137 WeakPolarHBondContact CA-O 3.46Å; K92-I138 HydrophobicContact CG-CG1 4.35Å
93	L	45.3	Very low	36.6	Very low	27 Å²	27	89.6 Å²	89.6	14%	0.141	46%	0.46	C	S	.	.	G	3₁₀ helix	trans	-57.9	-26.3	169.6	-75.8	163.5	0	0	0	111.7	F91 D95 V96 V132 G136 E137	F91-L93 HydrophobicContact CE2-CD2 4Å; F91-L93 HydrophobicContact CE2-CG 4.47Å; L93-D95 VanDerWaalsContact C-N 3.25Å; L93-D95 PolarHBondContact O-N 2.84Å; L93-V96 WeakPolarHBondContact O-CB 3.48Å; L93-V96 PolarHBondContact O-N 3.43Å; L93-V132 HydrophobicContact CD1-CG1 3.96Å; L93-G136 WeakPolarHBondContact CD1-O 3.5Å; L93-E137 PolarHBondContact N-O 3.12Å
94	S	39	Very low	36.2	Very low	89 Å²	89	92 Å²	92	62%	0.622	48%	0.479	S	S	*	.	G	3₁₀ helix	trans	-65.5	-26.1	171	61.5	0	0	0	0	114	K92 V96	K92-S94 VanDerWaalsContact CB-OG 3.28Å; K92-S94 WeakPolarHBondContact CB-OG 3.36Å; K92-S94 PolarHBondContact O-N 3.3Å; S94-V96 PolarHBondContact O-N 2.66Å
95	D	36.8	Very low	36	Very low	63 Å²	63	93.1 Å²	93.1	34%	0.337	48%	0.484	S	S	.	.	G	3₁₀ helix	trans	-85.7	1.4	-179.1	-59.9	-4.7	0	0	0	111.9	K57 K92 L93	K57-D95 WeakPolarHBondContact CE-OD2 3.3Å; K57-D95 HydrophobicContact CG-CB 4.41Å; K57-D95 IonicContact NZ-OD2 2.82Å; K57-D95 PolarHBondContact NZ-OD2 3.02Å; K92-D95 HydrophobicContact CB-CB 4.37Å; K92-D95 WeakPolarHBondContact O-CB 3.42Å; K92-D95 PolarHBondContact O-N 3.13Å; L93-D95 VanDerWaalsContact C-N 3.25Å; L93-D95 PolarHBondContact O-N 2.84Å
96	V	40.9	Very low	35.2	Very low	12 Å²	12	91.6 Å²	91.6	7%	0.073	48%	0.48	C	S	.	.	S	Bend	trans	-98.8	112.4	-179.6	-173.7	0	0	0	0	107.7	L54 K55 F91 L93 S94 V98	L54-V96 HydrophobicContact CB-CG1 3.48Å; L54-V96 VanDerWaalsContact CB-CG1 3.48Å; L54-V96 HydrophobicContact CD1-CG1 4.28Å; L54-V96 HydrophobicContact CD2-CB 4.11Å; L54-V96 HydrophobicContact CD2-CG1 3.59Å; L54-V96 HydrophobicContact CG-CG1 3.95Å; K55-V96 CarbonylContact O-C 3.38Å; K55-V96 WeakPolarHBondContact O-CA 3.23Å; K55-V96 WeakPolarHBondContact O-CG1 3.41Å; F91-V96 HydrophobicContact CD2-CG2 3.39Å; F91-V96 HydrophobicContact CE2-CG2 3.48Å; F91-V96 VanDerWaalsContact CE2-CG2 3.48Å; L93-V96 WeakPolarHBondContact O-CB 3.48Å; L93-V96 PolarHBondContact O-N 3.43Å; S94-V96 PolarHBondContact O-N 2.66Å; V96-V98 PolarHBondContact O-N 3.32Å
97	E	34.6	Very low	34.6	Very low	139 Å²	139	96.7 Å²	96.7	65%	0.65	50%	0.498	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.5	127.5	178.9	-77	-173.6	168.5	0	0	110	L54 K55 D99	L54-E97 CarbonylContact C-O 3.48Å; L54-E97 WeakPolarHBondContact CA-O 3.22Å; K55-E97 WeakPolarHBondContact CA-O 3.49Å; K55-E97 HydrophobicContact CB-CB 4.16Å; K55-E97 VanDerWaalsContact CB-O 3.31Å; K55-E97 WeakPolarHBondContact CB-O 3.22Å; K55-E97 PolarHBondContact N-O 3.45Å; K55-E97 PolarHBondContact O-N 3.01Å; E97-D99 PolarHBondContact O-N 3.45Å
98	V	30.6	Very low	33.8	Very low	61 Å²	61	94.9 Å²	94.9	37%	0.37	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	112.6	175.4	-175.2	0	0	0	0	107.8	K52 L54 V96 E100	K52-V98 HydrophobicContact CB-CG1 3.36Å; K52-V98 HydrophobicContact CD-CG1 3.72Å; K52-V98 HydrophobicContact CG-CG1 4.12Å; L54-V98 HydrophobicContact CD2-CB 4.19Å; L54-V98 HydrophobicContact CD2-CG2 3.34Å; L54-V98 HydrophobicContact CG-CG2 4.46Å; V96-V98 PolarHBondContact O-N 3.32Å; V98-E100 PolarHBondContact O-N 3.12Å
99	D	30.1	Very low	33.4	Very low	60 Å²	60	97.6 Å²	97.6	32%	0.321	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	107.9	165.5	-145.2	18.5	0	0	0	107.6	Q53 K55 E97 T101	Q53-D99 PolarHBondContact N-O 3.48Å; Q53-D99 WeakPolarHBondContact O-CA 3.22Å; Q53-D99 VanDerWaalsContact O-CB 3.28Å; Q53-D99 WeakPolarHBondContact O-CB 3.11Å; Q53-D99 PolarHBondContact O-N 2.91Å; K55-D99 HydrophobicContact CD-CB 4.08Å; K55-D99 WeakPolarHBondContact CE-OD2 3.33Å; K55-D99 HydrophobicContact CG-CB 4.27Å; K55-D99 IonicContact NZ-OD1 3.85Å; K55-D99 PolarHBondContact NZ-OD1 3.33Å; K55-D99 IonicContact NZ-OD2 2.99Å; K55-D99 PolarHBondContact NZ-OD2 3.43Å; E97-D99 PolarHBondContact O-N 3.45Å; D99-T101 PolarHBondContact O-N 2.95Å
100	E	25.9	Very low	32.6	Very low	139 Å²	139	103.8 Å²	103.8	65%	0.65	53%	0.53	S	S	*	.			trans	-68.8	80.6	164.6	-62.7	-165.1	148.5	0	0	107.5	K52 V98 D102	K52-E100 HydrophobicContact CD-CG 4.21Å; K52-E100 IonicContact NZ-OE1 2.73Å; K52-E100 PolarHBondContact NZ-OE1 2.86Å; V98-E100 PolarHBondContact O-N 3.12Å; E100-D102 PolarHBondContact O-N 2.95Å
101	T	29.4	Very low	31.8	Very low	63 Å²	63	107.1 Å²	107.1	39%	0.387	55%	0.548	S	S	.	.			trans	-68.1	121.2	159.9	44.1	0	0	0	0	106.4	D99 D103	D99-T101 PolarHBondContact O-N 2.95Å; T101-D103 PolarHBondContact O-N 2.71Å
102	D	26.9	Very low	31	Very low	145 Å²	145	110.5 Å²	110.5	78%	0.775	57%	0.571	S	S	*	*			trans	-37.1	125.5	177.8	-104.5	-37.1	0	0	0	109.6	E100 S104	E100-D102 PolarHBondContact O-N 2.95Å; D102-S104 PolarHBondContact O-N 2.9Å; D102-S104 PolarHBondContact O-OG 3.28Å
103	D	25.1	Very low	30.5	Very low	101 Å²	101	115.9 Å²	115.9	54%	0.54	59%	0.594	S	S	.	*	S	Bend	trans	-50.4	3.5	-174.5	-87.8	-38.2	0	0	0	115.3	T101 F105	T101-D103 PolarHBondContact O-N 2.71Å; D103-F105 PolarHBondContact O-N 3.36Å
104	S	24.9	Very low	29.6	Very low	87 Å²	87	122 Å²	122	61%	0.608	63%	0.627	S	S	*	*			trans	-61	5.5	170.1	67.6	0	0	0	0	116.3	D102 V106	D102-S104 PolarHBondContact O-N 2.9Å; D102-S104 PolarHBondContact O-OG 3.28Å; S104-V106 PolarHBondContact O-N 3.21Å
105	F	24.6	Very low	29.2	Very low	175 Å²	175	124.1 Å²	124.1	77%	0.768	63%	0.625	S	S	*	*			trans	-76.3	32.3	162.9	-127.4	-85.7	0	0	0	112	D103 K107	D103-F105 PolarHBondContact O-N 3.36Å; F105-K107 PolarHBondContact O-N 2.84Å
106	V	25	Very low	28.6	Very low	104 Å²	104	131 Å²	131	63%	0.63	65%	0.652	S	S	*	*			trans	-60.9	122.8	162.7	177.2	0	0	0	0	107.5	S104 D108	S104-V106 PolarHBondContact O-N 3.21Å; V106-D108 PolarHBondContact O-N 2.86Å
107	K	28.3	Very low	28	Very low	193 Å²	193	137.3 Å²	137.3	84%	0.839	69%	0.685	S	S	*	*	S	Bend	trans	8.3	86.7	149.6	-62.7	177.5	-176.1	176.5	0	114.2	F105	F105-K107 PolarHBondContact O-N 2.84Å
108	D	24	Very low	27.7	Very low	150 Å²	150	134.4 Å²	134.4	80%	0.802	68%	0.684	S	S	*	*			trans	-147.1	97.7	151.2	-91.7	-31.4	0	0	0	108.6	V106	V106-D108 PolarHBondContact O-N 2.86Å
109	K	32.9	Very low	27.4	Very low	197 Å²	197	137.2 Å²	137.2	86%	0.857	70%	0.704	S	S	*	*			trans	-60.5	134.8	146.1	-72.8	179.5	176.4	178.2	0	105.5
110	E	30.2	Very low	27.2	Very low	171 Å²	171	140.7 Å²	140.7	80%	0.799	72%	0.721	S	S	*	*	S	Bend	trans	90	119.5	179.8	-56.8	-176.3	132.8	0	0	114.9
111	N	24.4	Very low	27.5	Very low	151 Å²	151	135.7 Å²	135.7	81%	0.807	70%	0.701	S	S	*	*			trans	78.4	77.3	165.7	-56.4	-30.6	0	0	0	118.2
112	V	28.5	Very low	27.5	Very low	98 Å²	98	139.7 Å²	139.7	59%	0.594	73%	0.726	S	S	*	*			trans	-136.7	91.9	137.1	-168.1	0	0	0	0	110.2	D114 K115	V112-D114 VanDerWaalsContact C-N 3.29Å; V112-K115 HydrophobicContact CG1-CB 3.8Å; V112-K115 HydrophobicContact CG1-CD 3.8Å; V112-K115 HydrophobicContact CG1-CG 3.56Å
113	K	32.3	Very low	27.7	Very low	208 Å²	208	135.5 Å²	135.5	90%	0.904	71%	0.705	S	S	*	*	S	Bend	trans	-80.3	-0.2	169.4	-102.9	-174.9	178	-179.9	0	114
114	D	28.3	Very low	28	Very low	155 Å²	155	133.8 Å²	133.8	83%	0.829	71%	0.705	S	S	*	*			trans	-139.7	33.1	-173.3	-85.3	-50.6	0	0	0	115.3	V112 K116	V112-D114 VanDerWaalsContact C-N 3.29Å; D114-K116 PolarHBondContact O-N 3.18Å
115	K	30.3	Very low	28.5	Very low	135 Å²	135	135.3 Å²	135.3	59%	0.587	70%	0.697	S	S	*	*			trans	-89.7	107.5	160.7	-88.4	173.6	-170.3	-175.1	0	106.7	V112 L117	V112-K115 HydrophobicContact CG1-CB 3.8Å; V112-K115 HydrophobicContact CG1-CD 3.8Å; V112-K115 HydrophobicContact CG1-CG 3.56Å; K115-L117 VanDerWaalsContact C-N 3.26Å; K115-L117 PolarHBondContact O-N 2.99Å
116	K	24.7	Very low	28.8	Very low	208 Å²	208	133.8 Å²	133.8	90%	0.904	69%	0.69	S	S	*	*			trans	-39.6	97.9	162.5	-74.5	178.5	178.2	177	0	107.3	D114 A118	D114-K116 PolarHBondContact O-N 3.18Å; K116-A118 PolarHBondContact O-N 3.34Å
117	L	27.8	Very low	29.3	Very low	144 Å²	144	135.1 Å²	135.1	75%	0.754	69%	0.688	S	S	*	*			trans	-52.1	115.9	173.9	-80.9	149.7	0	0	0	104.5	K115	K115-L117 VanDerWaalsContact C-N 3.26Å; K115-L117 PolarHBondContact O-N 2.99Å
118	A	28.5	Very low	29.8	Very low	78 Å²	78	127 Å²	127	65%	0.645	65%	0.654	S	S	*	*			trans	-44.4	132.2	169.9	0	0	0	0	0	107	K116 I120	K116-A118 PolarHBondContact O-N 3.34Å; A118-I120 PolarHBondContact O-N 3.03Å
119	P	24.3	Very low	30.6	Very low	120 Å²	120	126.6 Å²	126.6	78%	0.779	64%	0.642	S	S	*	*			trans	-47.1	121	-164.1	14.7	-29.2	0	0	0	109.6	S121	P119-S121 VanDerWaalsContact C-N 3.34Å; P119-S121 PolarHBondContact O-N 3.25Å
120	I	25.9	Very low	31.2	Very low	133 Å²	133	117.2 Å²	117.2	68%	0.682	60%	0.602	S	S	*	*			trans	-57.1	106.2	172.3	-60.6	171.8	0	0	0	104.6	A118 T122	A118-I120 PolarHBondContact O-N 3.03Å; I120-T122 PolarHBondContact O-N 3.01Å; I120-T122 VanDerWaalsContact O-N 3.08Å
121	S	31.4	Very low	31.8	Very low	34 Å²	34	112 Å²	112	24%	0.238	58%	0.576	C	S	.	*			trans	-52.4	122.7	178.9	176.3	0	0	0	0	108	P119 V123 R125	P119-S121 VanDerWaalsContact C-N 3.34Å; P119-S121 PolarHBondContact O-N 3.25Å; S121-V123 PolarHBondContact O-N 2.86Å; S121-V123 WeakPolarHBondContact OG-CB 3.18Å; S121-V123 PolarHBondContact OG-N 2.93Å; S121-R125 VanDerWaalsContact CB-NH2 3.31Å
122	T	29.6	Very low	32.7	Very low	147 Å²	147	106.2 Å²	106.2	90%	0.902	55%	0.547	S	S	*	.			trans	-71.6	-5.7	174	45	0	0	0	0	111.9	I120	I120-T122 PolarHBondContact O-N 3.01Å; I120-T122 VanDerWaalsContact O-N 3.08Å
123	V	31.3	Very low	33.4	Very low	57 Å²	57	102.1 Å²	102.1	35%	0.345	52%	0.522	S	S	.	.	S	Bend	trans	-80.2	126.4	177.6	-172.2	0	0	0	0	109.4	D83 S121 R125	D83-V123 HydrophobicContact CB-CG1 4.42Å; S121-V123 PolarHBondContact O-N 2.86Å; S121-V123 WeakPolarHBondContact OG-CB 3.18Å; S121-V123 PolarHBondContact OG-N 2.93Å; V123-R125 WeakPolarHBondContact O-CG 3.28Å; V123-R125 PolarHBondContact O-N 2.92Å
124	A	31.1	Very low	33.8	Very low	64 Å²	64	94.6 Å²	94.6	53%	0.529	49%	0.494	S	S	.	.			trans	-55.4	114.7	173.7	0	0	0	0	0	109.8	K84	K84-A124 WeakPolarHBondContact CB-O 3.36Å; K84-A124 HydrophobicContact CD-CB 4.44Å
125	R	35.1	Very low	34.6	Very low	120 Å²	120	90.8 Å²	90.8	45%	0.453	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	142.6	-177.4	-49.6	-179.7	175.5	170.7	-7.5	110.6	W81 S121 V123	W81-R125 HydrophobicContact CE3-CB 3.54Å; W81-R125 HydrophobicContact CE3-CG 4.19Å; W81-R125 HydrophobicContact CZ3-CB 3.82Å; S121-R125 VanDerWaalsContact CB-NH2 3.31Å; V123-R125 WeakPolarHBondContact O-CG 3.28Å; V123-R125 PolarHBondContact O-N 2.92Å
126	K	30.7	Very low	35.3	Very low	142 Å²	142	85.3 Å²	85.3	62%	0.617	46%	0.456	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.4	131	170.7	-168.1	177.5	178	-174.8	0	109.3	V128	K126-V128 HydrophobicContact CB-CG2 4.44Å; K126-V128 HydrophobicContact CD-CG2 4.4Å; K126-V128 HydrophobicContact CG-CG2 4.2Å; K126-V128 PolarHBondContact O-N 3.42Å
127	K	36.8	Very low	36.3	Very low	133 Å²	133	80.1 Å²	80.1	58%	0.578	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.2	124.5	167	-68	178.6	-174.7	173.1	0	107.7	W81	W81-K127 HydrophobicContact CZ3-CG 4.41Å
128	V	37.9	Very low	37.1	Very low	21 Å²	21	75.4 Å²	75.4	13%	0.127	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	132.4	172.7	-163.7	0	0	0	0	109.4	V80 Y82 K126 A141	V80-V128 PolarHBondContact N-O 3.02Å; Y82-V128 HydrophobicContact CD2-CB 4.01Å; Y82-V128 HydrophobicContact CD2-CG2 3.73Å; Y82-V128 HydrophobicContact CE2-CB 3.96Å; Y82-V128 HydrophobicContact CE2-CG2 4.15Å; K126-V128 HydrophobicContact CB-CG2 4.44Å; K126-V128 HydrophobicContact CD-CG2 4.4Å; K126-V128 HydrophobicContact CG-CG2 4.2Å; K126-V128 PolarHBondContact O-N 3.42Å; V128-A141 HydrophobicContact CB-CB 4.13Å; V128-A141 HydrophobicContact CG1-CB 3.4Å; V128-A141 WeakPolarHBondContact CG1-O 3.46Å
129	Y	41.6	Very low	38.2	Very low	143 Å²	143	71.7 Å²	71.7	56%	0.561	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.2	126.1	170.7	-68.1	-87.2	0	0	0	107.5	Y77	Y77-Y129 HydrophobicContact CD1-CD1 4.41Å
130	C	44.4	Very low	39.4	Very low	0 Å²	0	67 Å²	67	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	128.8	-176.6	-167.6	0	0	0	0	109.8	H78 V80 C139 H140 A141	H78-C130 HydrophobicContact CB-CB 4.05Å; H78-C130 PolarHBondContact N-O 3.34Å; H78-C130 VanDerWaalsContact N-O 3.09Å; H78-C130 WeakPolarHBondContact O-CB 3.5Å; H78-C130 PolarHBondContact O-N 2.87Å; V80-C130 HydrophobicContact CG2-CB 4.03Å; C130-C139 HydrophobicContact CB-CB 4.4Å; C130-C139 WeakPolarHBondContact CB-SG 3.48Å; C130-C139 WeakPolarHBondContact SG-CA 3.44Å; C130-C139 WeakPolarHBondContact SG-CB 3.43Å; C130-C139 CovalentContact SG-SG 1.99Å; C130-C139 PolarHBondContact SG-SG 3.45Å; C130-H140 WeakPolarHBondContact CA-O 3.39Å; C130-H140 PolarHBondContact SG-N 3.19Å; C130-A141 HydrophobicContact CB-CB 3.87Å
131	F	41.9	Very low	40.4	Very low	61 Å²	61	61.2 Å²	61.2	27%	0.268	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	127.3	178	-71.6	-103.2	0	0	0	108.9	Y77 H140 L146	Y77-F131 HydrophobicContact CD1-CE1 4.48Å; Y77-F131 HydrophobicContact CD1-CZ 4.44Å; Y77-F131 HydrophobicContact CE1-CD1 4.17Å; Y77-F131 AromaticContact CE1-CE1 3.58Å; Y77-F131 HydrophobicContact CE1-CE1 3.58Å; Y77-F131 HydrophobicContact CE1-CE2 4.15Å; Y77-F131 AromaticContact CE1-CZ 3.58Å; Y77-F131 HydrophobicContact CE1-CZ 3.58Å; F131-H140 PolarHBondContact N-O 3.4Å; F131-H140 PolarHBondContact O-N 2.92Å; F131-L146 HydrophobicContact CB-CD1 3.64Å; F131-L146 HydrophobicContact CD1-CD1 3.56Å; F131-L146 HydrophobicContact CD2-CD1 3.4Å; F131-L146 HydrophobicContact CD2-CD2 3.66Å; F131-L146 HydrophobicContact CD2-CG 4.03Å; F131-L146 HydrophobicContact CE1-CD1 3.95Å; F131-L146 HydrophobicContact CE1-CD2 4.34Å; F131-L146 HydrophobicContact CE2-CD1 3.82Å; F131-L146 HydrophobicContact CE2-CD2 3.28Å; F131-L146 HydrophobicContact CE2-CG 4.12Å; F131-L146 HydrophobicContact CG-CD1 3.25Å; F131-L146 HydrophobicContact CG-CD2 4.35Å; F131-L146 HydrophobicContact CG-CG 4.34Å; F131-L146 HydrophobicContact CZ-CD1 4.05Å; F131-L146 HydrophobicContact CZ-CD2 3.63Å; F131-L146 HydrophobicContact CZ-CG 4.48Å
132	V	44.5	Very low	41.1	Very low	30 Å²	30	62.8 Å²	62.8	18%	0.182	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	132.9	176.7	-164	0	0	0	0	108.9	H78 L93 I138	H78-V132 WeakPolarHBondContact CD2-CG2 3.25Å; H78-V132 WeakPolarHBondContact NE2-CG2 3.29Å; L93-V132 HydrophobicContact CD1-CG1 3.96Å; V132-I138 CarbonylContact C-O 3.42Å; V132-I138 WeakPolarHBondContact CA-O 3.16Å
133	S	42.9	Very low	41.8	Very low	11 Å²	11	61 Å²	61	8%	0.077	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-59.6	157	168.7	49.2	0	0	0	0	111.2	D135 G136 I138	S133-D135 WeakPolarHBondContact CB-OD1 3.37Å; S133-D135 PolarHBondContact O-N 3.41Å; S133-D135 VanDerWaalsContact O-N 3.13Å; S133-D135 PolarHBondContact OG-OD1 3.44Å; S133-G136 PolarHBondContact O-N 2.89Å; S133-I138 PolarHBondContact N-O 2.73Å; S133-I138 WeakPolarHBondContact OG-CA 3.11Å; S133-I138 WeakPolarHBondContact OG-CB 3.28Å; S133-I138 PolarHBondContact OG-N 2.92Å; S133-I138 PolarHBondContact OG-O 3.49Å; S133-I138 VanDerWaalsContact OG-O 3.12Å
134	P	40.9	Very low	42.5	Very low	50 Å²	50	63.1 Å²	63.1	33%	0.325	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-27.1	-177.9	-27.1	36.2	0	0	0	115	G136 M153	P134-G136 PolarHBondContact O-N 3.04Å; P134-M153 HydrophobicContact CG-CE 3.5Å; P134-M153 VanDerWaalsContact CG-CE 3.5Å; P134-M153 HydrophobicContact CG-CG 3.7Å; P134-M153 HydrophobicContact CG-SD 3.42Å; P134-M153 WeakPolarHBondContact CG-SD 3.37Å
135	D	44.8	Very low	43.2	Very low	75 Å²	75	60.6 Å²	60.6	40%	0.401	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-7.2	176.2	57.6	10	0	0	0	113	S133 E137	S133-D135 WeakPolarHBondContact CB-OD1 3.37Å; S133-D135 PolarHBondContact O-N 3.41Å; S133-D135 VanDerWaalsContact O-N 3.13Å; S133-D135 PolarHBondContact OG-OD1 3.44Å; D135-E137 HydrophobicContact CB-CG 4.26Å; D135-E137 PolarHBondContact O-N 3.22Å; D135-E137 PolarHBondContact OD1-N 3.42Å
136	G	46	Very low	43.7	Very low	20 Å²	20	56.2 Å²	56.2	21%	0.206	28%	0.282	C	S	.	.	S	Bend	trans	70.6	11	-177.2	0	0	0	0	0	113.3	L93 S133 P134	L93-G136 WeakPolarHBondContact CD1-O 3.5Å; S133-G136 PolarHBondContact O-N 2.89Å; P134-G136 PolarHBondContact O-N 3.04Å
137	E	44	Very low	44.3	Very low	100 Å²	100	52.3 Å²	52.3	47%	0.467	27%	0.268	S	S	.	.			trans	-98.9	-30.8	-172.1	-67.1	-160.8	170.3	0	0	113.5	K92 L93 D135	K92-E137 CarbonylContact C-O 3.44Å; K92-E137 WeakPolarHBondContact CA-O 3.46Å; L93-E137 PolarHBondContact N-O 3.12Å; D135-E137 HydrophobicContact CB-CG 4.26Å; D135-E137 PolarHBondContact O-N 3.22Å; D135-E137 PolarHBondContact OD1-N 3.42Å
138	I	44.8	Very low	44.8	Very low	44 Å²	44	48.5 Å²	48.5	23%	0.226	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	132.2	-170.2	-48.9	-178.9	0	0	0	110	K92 V132 S133 H140	K92-I138 HydrophobicContact CG-CG1 4.35Å; V132-I138 CarbonylContact C-O 3.42Å; V132-I138 WeakPolarHBondContact CA-O 3.16Å; S133-I138 PolarHBondContact N-O 2.73Å; S133-I138 WeakPolarHBondContact OG-CA 3.11Å; S133-I138 WeakPolarHBondContact OG-CB 3.28Å; S133-I138 PolarHBondContact OG-N 2.92Å; S133-I138 PolarHBondContact OG-O 3.49Å; S133-I138 VanDerWaalsContact OG-O 3.12Å; I138-H140 VanDerWaalsContact CG2-CE1 3.48Å; I138-H140 WeakPolarHBondContact CG2-CE1 3.48Å; I138-H140 VanDerWaalsContact CG2-NE2 3.28Å; I138-H140 WeakPolarHBondContact CG2-NE2 3.32Å
139	C	51.6	Low	45.1	Very low	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	117.5	173.8	-158.9	0	0	0	0	108.6	F91 C130	F91-C139 HydrophobicContact CD1-CB 4.17Å; F91-C139 HydrophobicContact CD2-CB 4.34Å; F91-C139 HydrophobicContact CE1-CB 3.57Å; F91-C139 HydrophobicContact CE2-CB 3.77Å; F91-C139 HydrophobicContact CZ-CB 3.36Å; F91-C139 PolarHBondContact N-O 3.05Å; F91-C139 PolarHBondContact O-N 3.03Å; C130-C139 HydrophobicContact CB-CB 4.4Å; C130-C139 WeakPolarHBondContact CB-SG 3.48Å; C130-C139 WeakPolarHBondContact SG-CA 3.44Å; C130-C139 WeakPolarHBondContact SG-CB 3.43Å; C130-C139 CovalentContact SG-SG 1.99Å; C130-C139 PolarHBondContact SG-SG 3.45Å
140	H	50.3	Low	45.2	Very low	21 Å²	21	43.1 Å²	43.1	10%	0.097	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	110.6	179.1	-63.6	-81.6	0	0	0	111.1	D90 C130 F131 I138 A145 V149	D90-H140 VanDerWaalsContact CG-ND1 3.33Å; D90-H140 WeakPolarHBondContact OD1-CA 3.22Å; D90-H140 IonicContact OD1-CG 3.28Å; D90-H140 IonicContact OD1-ND1 3.69Å; D90-H140 PolarHBondContact OD1-ND1 3.25Å; D90-H140 IonicContact OD2-ND1 2.85Å; C130-H140 WeakPolarHBondContact CA-O 3.39Å; C130-H140 PolarHBondContact SG-N 3.19Å; F131-H140 PolarHBondContact N-O 3.4Å; F131-H140 PolarHBondContact O-N 2.92Å; I138-H140 VanDerWaalsContact CG2-CE1 3.48Å; I138-H140 WeakPolarHBondContact CG2-CE1 3.48Å; I138-H140 VanDerWaalsContact CG2-NE2 3.28Å; I138-H140 WeakPolarHBondContact CG2-NE2 3.32Å; H140-A145 HydrophobicContact CB-CB 4.08Å; H140-V149 HydrophobicContact CB-CG2 4.36Å; H140-V149 WeakPolarHBondContact CD2-CG2 3.43Å; H140-V149 VanDerWaalsContact CE1-CG2 3.46Å; H140-V149 WeakPolarHBondContact CE1-CG2 3.49Å; H140-V149 VanDerWaalsContact CG-CG2 3.49Å; H140-V149 WeakPolarHBondContact NE2-CG2 3.31Å
141	A	46.4	Very low	45.2	Very low	12 Å²	12	45.4 Å²	45.4	10%	0.099	26%	0.26	C	S	.	.			trans	-107.5	0.3	-177.7	0	0	0	0	0	113.6	Y82 I89 V128 C130	Y82-A141 HydrophobicContact CE2-CB 3.86Å; Y82-A141 WeakPolarHBondContact OH-CB 3.43Å; I89-A141 VanDerWaalsContact CG2-CA 3.46Å; I89-A141 HydrophobicContact CG2-CB 3.07Å; V128-A141 HydrophobicContact CB-CB 4.13Å; V128-A141 HydrophobicContact CG1-CB 3.4Å; V128-A141 WeakPolarHBondContact CG1-O 3.46Å; C130-A141 HydrophobicContact CB-CB 3.87Å
142	N	47.4	Very low	45.3	Very low	68 Å²	68	51.7 Å²	51.7	36%	0.364	28%	0.282	S	S	.	.	S	Bend	trans	-100.4	140.3	171.1	-169.2	-15.1	0	0	0	111.3	I89 T144 A145 L146	I89-N142 HydrophobicContact CB-CB 4.3Å; I89-N142 HydrophobicContact CD1-CB 4.28Å; I89-N142 HydrophobicContact CG2-CB 4.34Å; N142-T144 PolarHBondContact O-N 2.61Å; N142-T144 PolarHBondContact OD1-N 3.38Å; N142-A145 HydrophobicContact CB-CB 4.19Å; N142-A145 PolarHBondContact O-N 3.42Å; N142-L146 PolarHBondContact O-N 3.13Å
143	K	43.3	Very low	44.9	Very low	109 Å²	109	52.8 Å²	52.8	47%	0.474	29%	0.286	S	S	.	.	H	α-helix	trans	-51.9	-41.4	174.3	-172.9	-176.8	178.3	-172.1	0	111.5	E18 L146 I147	E18-K143 IonicContact OE1-NZ 3.58Å; E18-K143 PolarHBondContact OE1-NZ 3.47Å; K143-L146 PolarHBondContact O-N 3.28Å; K143-I147 HydrophobicContact CG-CD1 4.17Å; K143-I147 WeakPolarHBondContact O-CD1 3.42Å; K143-I147 VanDerWaalsContact O-CG1 3.25Å; K143-I147 WeakPolarHBondContact O-CG1 3.34Å; K143-I147 PolarHBondContact O-N 3.17Å
144	T	47.2	Very low	44.6	Very low	101 Å²	101	57.4 Å²	57.4	62%	0.62	31%	0.307	S	S	*	.	H	α-helix	trans	-65.8	-41.2	178.7	-49.5	0	0	0	0	112.2	N142 I147 A148	N142-T144 PolarHBondContact O-N 2.61Å; N142-T144 PolarHBondContact OD1-N 3.38Å; T144-I147 PolarHBondContact O-N 3.3Å; T144-A148 PolarHBondContact O-N 3.47Å
145	A	45.6	Very low	44.6	Very low	11 Å²	11	61.7 Å²	61.7	9%	0.091	33%	0.328	C	S	.	.	H	α-helix	trans	-70.3	-40.2	179.2	0	0	0	0	0	111.4	D90 H140 N142 I147 A148 V149	D90-A145 WeakPolarHBondContact OD1-CB 3.34Å; D90-A145 VanDerWaalsContact OD2-CB 3.29Å; D90-A145 WeakPolarHBondContact OD2-CB 3.19Å; H140-A145 HydrophobicContact CB-CB 4.08Å; N142-A145 HydrophobicContact CB-CB 4.19Å; N142-A145 PolarHBondContact O-N 3.42Å; A145-I147 PolarHBondContact O-N 3.28Å; A145-A148 WeakPolarHBondContact O-CB 2.9Å; A145-A148 PolarHBondContact O-N 2.9Å; A145-A148 VanDerWaalsContact O-N 3.17Å; A145-V149 WeakPolarHBondContact O-CG2 3.17Å; A145-V149 PolarHBondContact O-N 3.31Å
146	L	44.4	Very low	44	Very low	29 Å²	29	64.4 Å²	64.4	15%	0.152	35%	0.346	C	S	.	.	H	α-helix	trans	-55.5	-48.7	171	175.2	60.5	0	0	0	111.9	F131 N142 K143 A148 V149 I150	F131-L146 HydrophobicContact CB-CD1 3.64Å; F131-L146 HydrophobicContact CD1-CD1 3.56Å; F131-L146 HydrophobicContact CD2-CD1 3.4Å; F131-L146 HydrophobicContact CD2-CD2 3.66Å; F131-L146 HydrophobicContact CD2-CG 4.03Å; F131-L146 HydrophobicContact CE1-CD1 3.95Å; F131-L146 HydrophobicContact CE1-CD2 4.34Å; F131-L146 HydrophobicContact CE2-CD1 3.82Å; F131-L146 HydrophobicContact CE2-CD2 3.28Å; F131-L146 HydrophobicContact CE2-CG 4.12Å; F131-L146 HydrophobicContact CG-CD1 3.25Å; F131-L146 HydrophobicContact CG-CD2 4.35Å; F131-L146 HydrophobicContact CG-CG 4.34Å; F131-L146 HydrophobicContact CZ-CD1 4.05Å; F131-L146 HydrophobicContact CZ-CD2 3.63Å; F131-L146 HydrophobicContact CZ-CG 4.48Å; N142-L146 PolarHBondContact O-N 3.13Å; K143-L146 PolarHBondContact O-N 3.28Å; L146-A148 VanDerWaalsContact C-N 3.3Å; L146-A148 PolarHBondContact O-N 2.99Å; L146-V149 PolarHBondContact O-N 3.13Å; L146-I150 HydrophobicContact CD1-CD1 3.82Å; L146-I150 HydrophobicContact CD1-CG1 4.14Å; L146-I150 HydrophobicContact CG-CD1 3.82Å; L146-I150 WeakPolarHBondContact O-CG1 3.29Å; L146-I150 PolarHBondContact O-N 3.42Å
147	I	44.6	Very low	43.6	Very low	60 Å²	60	69.8 Å²	69.8	31%	0.308	39%	0.389	S	S	.	.	H	α-helix	trans	-60.2	-42.1	177.5	-69.1	165	0	0	0	110.6	I14 K143 T144 A145 V149 I150 A151	I14-I147 HydrophobicContact CD1-CG2 4.18Å; I14-I147 HydrophobicContact CG2-CD1 4.14Å; K143-I147 HydrophobicContact CG-CD1 4.17Å; K143-I147 WeakPolarHBondContact O-CD1 3.42Å; K143-I147 VanDerWaalsContact O-CG1 3.25Å; K143-I147 WeakPolarHBondContact O-CG1 3.34Å; K143-I147 PolarHBondContact O-N 3.17Å; T144-I147 PolarHBondContact O-N 3.3Å; A145-I147 PolarHBondContact O-N 3.28Å; I147-V149 VanDerWaalsContact C-N 3.32Å; I147-V149 PolarHBondContact O-N 2.47Å; I147-I150 PolarHBondContact O-N 3.44Å; I147-A151 WeakPolarHBondContact O-CB 3.42Å; I147-A151 PolarHBondContact O-N 3.21Å
148	A	47.1	Very low	43.6	Very low	53 Å²	53	68.3 Å²	68.3	44%	0.438	39%	0.385	S	S	.	.	H	α-helix	trans	-64	-36.2	178.1	0	0	0	0	0	112.8	T144 A145 L146 R152	T144-A148 PolarHBondContact O-N 3.47Å; A145-A148 WeakPolarHBondContact O-CB 2.9Å; A145-A148 PolarHBondContact O-N 2.9Å; A145-A148 VanDerWaalsContact O-N 3.17Å; L146-A148 VanDerWaalsContact C-N 3.3Å; L146-A148 PolarHBondContact O-N 2.99Å; A148-R152 WeakPolarHBondContact O-CG 3.41Å; A148-R152 PolarHBondContact O-N 3.3Å
149	V	43.8	Very low	43.5	Very low	17 Å²	17	69.6 Å²	69.6	10%	0.103	39%	0.394	C	S	.	.	H	α-helix	trans	-70.1	-47.2	176.3	175.6	0	0	0	0	110.9	H140 A145 L146 I147 A151 R152 M153	H140-V149 HydrophobicContact CB-CG2 4.36Å; H140-V149 WeakPolarHBondContact CD2-CG2 3.43Å; H140-V149 VanDerWaalsContact CE1-CG2 3.46Å; H140-V149 WeakPolarHBondContact CE1-CG2 3.49Å; H140-V149 VanDerWaalsContact CG-CG2 3.49Å; H140-V149 WeakPolarHBondContact NE2-CG2 3.31Å; A145-V149 WeakPolarHBondContact O-CG2 3.17Å; A145-V149 PolarHBondContact O-N 3.31Å; L146-V149 PolarHBondContact O-N 3.13Å; I147-V149 VanDerWaalsContact C-N 3.32Å; I147-V149 PolarHBondContact O-N 2.47Å; V149-A151 VanDerWaalsContact C-N 3.29Å; V149-A151 PolarHBondContact O-N 3.19Å; V149-R152 PolarHBondContact O-N 3Å; V149-M153 HydrophobicContact CG1-CG 4.42Å; V149-M153 HydrophobicContact CG1-SD 4Å; V149-M153 VanDerWaalsContact O-CG 3.31Å; V149-M153 WeakPolarHBondContact O-CG 3.49Å; V149-M153 PolarHBondContact O-N 3.16Å
150	I	42.7	Very low	43.1	Very low	34 Å²	34	73.4 Å²	73.4	17%	0.174	42%	0.416	C	S	.	.	H	α-helix	trans	-56.7	-46.7	175.5	-69.5	168.9	0	0	0	109.9	V25 I29 L146 I147 R152 M153 M154	V25-I150 HydrophobicContact CG1-CG2 4.08Å; I29-I150 HydrophobicContact CD1-CD1 4.23Å; I29-I150 HydrophobicContact CD1-CG1 4.1Å; I29-I150 HydrophobicContact CD1-CG2 3.73Å; I29-I150 HydrophobicContact CG1-CG2 4.42Å; L146-I150 HydrophobicContact CD1-CD1 3.82Å; L146-I150 HydrophobicContact CD1-CG1 4.14Å; L146-I150 HydrophobicContact CG-CD1 3.82Å; L146-I150 WeakPolarHBondContact O-CG1 3.29Å; L146-I150 PolarHBondContact O-N 3.42Å; I147-I150 PolarHBondContact O-N 3.44Å; I150-R152 PolarHBondContact O-N 3.06Å; I150-M153 PolarHBondContact O-N 3.16Å; I150-M153 VanDerWaalsContact O-N 3.16Å; I150-M154 HydrophobicContact CG2-SD 4.19Å; I150-M154 WeakPolarHBondContact O-CG 3.31Å; I150-M154 PolarHBondContact O-N 3.26Å
151	A	46.1	Very low	42.6	Very low	47 Å²	47	76.5 Å²	76.5	39%	0.388	43%	0.434	S	S	.	.	H	α-helix	trans	-59	-45.8	177.2	0	0	0	0	0	112.2	I147 V149 M153 M154 D155	I147-A151 WeakPolarHBondContact O-CB 3.42Å; I147-A151 PolarHBondContact O-N 3.21Å; V149-A151 VanDerWaalsContact C-N 3.29Å; V149-A151 PolarHBondContact O-N 3.19Å; A151-M153 VanDerWaalsContact C-N 3.32Å; A151-M153 PolarHBondContact O-N 3.36Å; A151-M154 PolarHBondContact O-N 2.84Å; A151-D155 PolarHBondContact O-N 3.37Å
152	R	42.6	Very low	42.4	Very low	194 Å²	194	80.6 Å²	80.6	73%	0.732	46%	0.455	S	S	*	.	H	α-helix	trans	-63.3	-35.2	175.4	-77.5	-177.6	178.6	-176.9	1.2	113.2	A148 V149 I150 M154 V156	A148-R152 WeakPolarHBondContact O-CG 3.41Å; A148-R152 PolarHBondContact O-N 3.3Å; V149-R152 PolarHBondContact O-N 3Å; I150-R152 PolarHBondContact O-N 3.06Å; R152-M154 VanDerWaalsContact C-N 3.3Å; R152-V156 VanDerWaalsContact O-CG2 3.31Å; R152-V156 WeakPolarHBondContact O-CG2 3.21Å
153	M	35.8	Very low	42.1	Very low	52 Å²	52	81.4 Å²	81.4	26%	0.256	46%	0.462	S	S	.	.	H	α-helix	trans	-68.9	-32.1	176.3	-71.1	178.3	64.5	0	0	111.9	L33 P134 V149 I150 A151	L33-M153 HydrophobicContact CD1-CE 3.54Å; L33-M153 HydrophobicContact CD2-CE 3.53Å; L33-M153 HydrophobicContact CG-CE 4.15Å; P134-M153 HydrophobicContact CG-CE 3.5Å; P134-M153 VanDerWaalsContact CG-CE 3.5Å; P134-M153 HydrophobicContact CG-CG 3.7Å; P134-M153 HydrophobicContact CG-SD 3.42Å; P134-M153 WeakPolarHBondContact CG-SD 3.37Å; V149-M153 HydrophobicContact CG1-CG 4.42Å; V149-M153 HydrophobicContact CG1-SD 4Å; V149-M153 VanDerWaalsContact O-CG 3.31Å; V149-M153 WeakPolarHBondContact O-CG 3.49Å; V149-M153 PolarHBondContact O-N 3.16Å; I150-M153 PolarHBondContact O-N 3.16Å; I150-M153 VanDerWaalsContact O-N 3.16Å; A151-M153 VanDerWaalsContact C-N 3.32Å; A151-M153 PolarHBondContact O-N 3.36Å
154	M	36.4	Very low	42	Very low	108 Å²	108	79.4 Å²	79.4	53%	0.532	46%	0.461	S	S	.	.	H	α-helix	trans	-74.3	-34.9	175.5	-67.8	179.8	70.3	0	0	113	I150 A151 R152 V156 A157	I150-M154 HydrophobicContact CG2-SD 4.19Å; I150-M154 WeakPolarHBondContact O-CG 3.31Å; I150-M154 PolarHBondContact O-N 3.26Å; A151-M154 PolarHBondContact O-N 2.84Å; R152-M154 VanDerWaalsContact C-N 3.3Å; M154-V156 PolarHBondContact O-N 3.37Å; M154-A157 PolarHBondContact O-N 3.33Å
155	D	41	Very low	41.6	Very low	141 Å²	141	77.8 Å²	77.8	75%	0.754	45%	0.448	S	S	*	.	H	α-helix	trans	-70	-15.7	176.8	-78.7	-24.2	0	0	0	113.6	A151	A151-D155 PolarHBondContact O-N 3.37Å
156	V	33.2	Very low	41.3	Very low	131 Å²	131	83.3 Å²	83.3	79%	0.794	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	-6.9	179.7	176.8	0	0	0	0	112.3	R152 M154	R152-V156 VanDerWaalsContact O-CG2 3.31Å; R152-V156 WeakPolarHBondContact O-CG2 3.21Å; M154-V156 PolarHBondContact O-N 3.37Å
157	A	37.5	Very low	41	Very low	134 Å²	134	88.3 Å²	88.3	100%	1.107	51%	0.508	S	S	*	.			trans	-90.5	0	174.6	0	0	0	0	0	111.6	M154	M154-A157 PolarHBondContact O-N 3.33Å

Retrieved 157 of 157 residues in 137.2 ms (Link to these results)

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