A0A096MEG3_POEFO Loading...

Transmembrane protein 11

Plays a role in mitochondrial morphogenesis.

AlphaFold DB , UniProt , Accession A0A096MEG3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 227 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	31.2	Very low	30.2	Very low	225 Å²	225	110 Å²	110	100%	1.108	61%	0.607	S	S	*	*				0	-6.8	0	-78.8	-166.6	163.1	0	0	114.6
2	G	23.5	Very low	30.5	Very low	53 Å²	53	110.8 Å²	110.8	55%	0.546	60%	0.602	S	S	.	*	H	α-helix	trans	-84.5	-20.1	177.8	0	0	0	0	0	116.3
3	T	26.4	Very low	30.8	Very low	109 Å²	109	108.8 Å²	108.8	67%	0.669	60%	0.596	S	S	*	*	H	α-helix	trans	-79.5	-29.7	-171.6	-22.4	0	0	0	0	113.9	Q7	T3-Q7 PolarHBondContact O-N 3.47Å; T3-Q7 VanDerWaalsContact O-N 3.16Å
4	V	30.6	Very low	31.3	Very low	92 Å²	92	106.7 Å²	106.7	56%	0.558	58%	0.579	S	S	*	*	H	α-helix	trans	-77.2	-41.6	-176.7	-178.1	0	0	0	0	111.1	Q6 Q7 I8	V4-Q6 VanDerWaalsContact C-N 3.27Å; V4-Q6 PolarHBondContact O-N 3.46Å; V4-Q7 PolarHBondContact O-N 2.9Å; V4-I8 HydrophobicContact CG1-CD1 4.11Å; V4-I8 WeakPolarHBondContact O-CG1 3.47Å; V4-I8 PolarHBondContact O-N 3.14Å
5	V	28.8	Very low	32.1	Very low	97 Å²	97	106.7 Å²	106.7	59%	0.588	57%	0.567	S	S	*	*	H	α-helix	trans	-65.3	-35.3	176.9	-176.8	0	0	0	0	111.1	I8 S9	V5-I8 PolarHBondContact O-N 2.98Å; V5-S9 PolarHBondContact O-N 3.05Å
6	Q	29.6	Very low	32.3	Very low	117 Å²	117	106.4 Å²	106.4	55%	0.547	57%	0.565	S	S	.	*	H	α-helix	trans	-69.7	-38.5	176.7	-161.5	147.9	-6.5	0	0	111.2	V4 S9 Y10	V4-Q6 VanDerWaalsContact C-N 3.27Å; V4-Q6 PolarHBondContact O-N 3.46Å; Q6-S9 PolarHBondContact O-N 3.33Å; Q6-Y10 HydrophobicContact CG-CD2 4.18Å; Q6-Y10 HydrophobicContact CG-CE2 3.69Å; Q6-Y10 WeakPolarHBondContact O-CD2 3.04Å; Q6-Y10 PolarHBondContact O-N 2.74Å
7	Q	32.1	Very low	32.3	Very low	86 Å²	86	107.1 Å²	107.1	40%	0.402	57%	0.565	S	S	.	*	H	α-helix	trans	-62.4	-41.7	171.8	-81	-170.7	-57.7	0	0	113	T3 V4 S9 Y10 T11 F163	T3-Q7 PolarHBondContact O-N 3.47Å; T3-Q7 VanDerWaalsContact O-N 3.16Å; V4-Q7 PolarHBondContact O-N 2.9Å; Q7-S9 PolarHBondContact O-N 3.46Å; Q7-Y10 PolarHBondContact O-N 3.12Å; Q7-T11 PolarHBondContact O-N 3.46Å; Q7-T11 PolarHBondContact O-OG1 2.93Å; Q7-F163 VanDerWaalsContact NE2-CD1 3.33Å
8	I	32.6	Very low	32.6	Very low	103 Å²	103	105.1 Å²	105.1	53%	0.528	55%	0.554	S	S	.	*	H	α-helix	trans	-63.1	-41.3	179.4	-65.3	162.6	0	0	0	111.3	V4 V5 Y10 T11 H12	V4-I8 HydrophobicContact CG1-CD1 4.11Å; V4-I8 WeakPolarHBondContact O-CG1 3.47Å; V4-I8 PolarHBondContact O-N 3.14Å; V5-I8 PolarHBondContact O-N 2.98Å; I8-Y10 PolarHBondContact O-N 3.37Å; I8-T11 PolarHBondContact O-N 3.1Å; I8-H12 PolarHBondContact O-N 3.22Å; I8-H12 VanDerWaalsContact O-N 3.11Å
9	S	29.3	Very low	32.7	Very low	74 Å²	74	104.9 Å²	104.9	52%	0.517	55%	0.549	S	S	.	.	H	α-helix	trans	-66	-33.6	174.6	-77.8	0	0	0	0	113.5	V5 Q6 Q7 T13	V5-S9 PolarHBondContact O-N 3.05Å; Q6-S9 PolarHBondContact O-N 3.33Å; Q7-S9 PolarHBondContact O-N 3.46Å; S9-T13 WeakPolarHBondContact O-CB 3.29Å; S9-T13 PolarHBondContact O-N 3.02Å; S9-T13 VanDerWaalsContact O-N 3.1Å; S9-T13 PolarHBondContact O-OG1 3.22Å
10	Y	31	Very low	32.6	Very low	157 Å²	157	106.9 Å²	106.9	62%	0.616	55%	0.55	S	S	*	.	H	α-helix	trans	-69.7	-42.5	175.7	-80.5	-68	0	0	0	111.8	Q6 Q7 I8 H12 T13 F14	Q6-Y10 HydrophobicContact CG-CD2 4.18Å; Q6-Y10 HydrophobicContact CG-CE2 3.69Å; Q6-Y10 WeakPolarHBondContact O-CD2 3.04Å; Q6-Y10 PolarHBondContact O-N 2.74Å; Q7-Y10 PolarHBondContact O-N 3.12Å; I8-Y10 PolarHBondContact O-N 3.37Å; Y10-H12 VanDerWaalsContact C-N 3.31Å; Y10-H12 PolarHBondContact O-N 2.91Å; Y10-T13 PolarHBondContact O-N 3.11Å; Y10-F14 WeakPolarHBondContact O-CB 3.47Å; Y10-F14 PolarHBondContact O-N 3.11Å
11	T	36.7	Very low	32.5	Very low	97 Å²	97	106.9 Å²	106.9	60%	0.595	55%	0.551	S	S	*	*	H	α-helix	trans	-63.4	-38.3	177.3	-37.2	0	0	0	0	111.6	Q7 I8 F14 R15	Q7-T11 PolarHBondContact O-N 3.46Å; Q7-T11 PolarHBondContact O-OG1 2.93Å; I8-T11 PolarHBondContact O-N 3.1Å; T11-F14 PolarHBondContact O-N 2.85Å; T11-R15 VanDerWaalsContact O-CB 3.25Å; T11-R15 WeakPolarHBondContact O-CB 2.87Å; T11-R15 PolarHBondContact O-N 3.43Å
12	H	34.8	Very low	32.7	Very low	119 Å²	119	99.5 Å²	99.5	55%	0.551	52%	0.518	S	S	*	.	H	α-helix	trans	-68.3	-37	176.7	-136.6	-77.3	0	0	0	112.8	I8 Y10 N16	I8-H12 PolarHBondContact O-N 3.22Å; I8-H12 VanDerWaalsContact O-N 3.11Å; Y10-H12 VanDerWaalsContact C-N 3.31Å; Y10-H12 PolarHBondContact O-N 2.91Å; H12-N16 PolarHBondContact O-N 2.91Å; H12-N16 PolarHBondContact O-ND2 2.97Å
13	T	33.6	Very low	33.1	Very low	86 Å²	86	101.8 Å²	101.8	53%	0.528	52%	0.515	S	S	.	.	H	α-helix	trans	-71.7	-38.5	176.5	-51	0	0	0	0	111.4	S9 Y10 N16 Q17	S9-T13 WeakPolarHBondContact O-CB 3.29Å; S9-T13 PolarHBondContact O-N 3.02Å; S9-T13 VanDerWaalsContact O-N 3.1Å; S9-T13 PolarHBondContact O-OG1 3.22Å; Y10-T13 PolarHBondContact O-N 3.11Å; T13-N16 PolarHBondContact O-N 2.99Å; T13-Q17 PolarHBondContact O-N 3.4Å; T13-Q17 VanDerWaalsContact O-N 3.1Å
14	F	38.2	Very low	33.2	Very low	79 Å²	79	99.5 Å²	99.5	35%	0.346	50%	0.499	S	S	.	.	H	α-helix	trans	-71.3	-39	178.9	-139.2	-95.6	0	0	0	112	Y10 T11 N16 Q17 I18 I159 S160	Y10-F14 WeakPolarHBondContact O-CB 3.47Å; Y10-F14 PolarHBondContact O-N 3.11Å; T11-F14 PolarHBondContact O-N 2.85Å; F14-N16 VanDerWaalsContact C-N 3.34Å; F14-N16 PolarHBondContact O-N 3.15Å; F14-Q17 PolarHBondContact O-N 3.14Å; F14-I18 HydrophobicContact CD1-CD1 3.93Å; F14-I18 HydrophobicContact CE1-CD1 4.24Å; F14-I18 WeakPolarHBondContact O-CG1 3.14Å; F14-I18 PolarHBondContact O-N 2.91Å; F14-I18 VanDerWaalsContact O-N 3.08Å; F14-I159 HydrophobicContact CE2-CG2 3.83Å; F14-I159 HydrophobicContact CZ-CG2 3.76Å; F14-S160 WeakPolarHBondContact CE1-OG 3.21Å
15	R	42.6	Very low	33.2	Very low	107 Å²	107	98.7 Å²	98.7	40%	0.404	50%	0.502	S	S	.	.	H	α-helix	trans	-60.9	-41.4	172.3	-173.1	176.7	173.2	-179.3	-4	111.8	T11 Q17 I18 H19 E81	T11-R15 VanDerWaalsContact O-CB 3.25Å; T11-R15 WeakPolarHBondContact O-CB 2.87Å; T11-R15 PolarHBondContact O-N 3.43Å; R15-Q17 PolarHBondContact O-N 2.82Å; R15-I18 PolarHBondContact O-N 3.4Å; R15-H19 PolarHBondContact O-N 2.68Å; R15-E81 IonicContact CZ-OE1 3.61Å; R15-E81 IonicContact CZ-OE2 3.09Å; R15-E81 IonicContact NH1-OE1 3.94Å; R15-E81 IonicContact NH1-OE2 2.67Å; R15-E81 PolarHBondContact NH1-OE2 3.01Å; R15-E81 IonicContact NH2-OE1 2.7Å; R15-E81 PolarHBondContact NH2-OE1 3.16Å; R15-E81 IonicContact NH2-OE2 2.7Å; R15-E81 PolarHBondContact NH2-OE2 3.4Å
16	N	35.3	Very low	33.4	Very low	101 Å²	101	101 Å²	101	54%	0.54	51%	0.506	S	S	.	.	H	α-helix	trans	-65.8	-34.9	174.7	-80.7	-23	0	0	0	113	H12 T13 F14 Y20	H12-N16 PolarHBondContact O-N 2.91Å; H12-N16 PolarHBondContact O-ND2 2.97Å; T13-N16 PolarHBondContact O-N 2.99Å; F14-N16 VanDerWaalsContact C-N 3.34Å; F14-N16 PolarHBondContact O-N 3.15Å; N16-Y20 WeakPolarHBondContact O-CB 3.37Å; N16-Y20 PolarHBondContact O-N 2.96Å
17	Q	33.2	Very low	33.3	Very low	119 Å²	119	102.4 Å²	102.4	56%	0.556	51%	0.506	S	S	*	.	H	α-helix	trans	-72.2	-32.4	178.5	-136.4	169.7	5.2	0	0	112.6	T13 F14 R15 N21	T13-Q17 PolarHBondContact O-N 3.4Å; T13-Q17 VanDerWaalsContact O-N 3.1Å; F14-Q17 PolarHBondContact O-N 3.14Å; R15-Q17 PolarHBondContact O-N 2.82Å; Q17-N21 PolarHBondContact O-N 2.87Å; Q17-N21 VanDerWaalsContact O-N 3.07Å
18	I	37.8	Very low	33.1	Very low	71 Å²	71	105.9 Å²	105.9	36%	0.364	53%	0.528	S	S	.	.	H	α-helix	trans	-75.9	-38	174.7	-65.1	172.9	0	0	0	111.1	F14 R15 Y20 N21 T22 W109	F14-I18 HydrophobicContact CD1-CD1 3.93Å; F14-I18 HydrophobicContact CE1-CD1 4.24Å; F14-I18 WeakPolarHBondContact O-CG1 3.14Å; F14-I18 PolarHBondContact O-N 2.91Å; F14-I18 VanDerWaalsContact O-N 3.08Å; R15-I18 PolarHBondContact O-N 3.4Å; I18-Y20 VanDerWaalsContact C-N 3.31Å; I18-Y20 PolarHBondContact O-N 2.92Å; I18-N21 PolarHBondContact O-N 3.03Å; I18-T22 VanDerWaalsContact O-CB 3.31Å; I18-T22 WeakPolarHBondContact O-CB 3.35Å; I18-T22 PolarHBondContact O-N 2.99Å; I18-T22 PolarHBondContact O-OG1 2.78Å; I18-W109 HydrophobicContact CG2-CH2 4.25Å
19	H	35	Very low	33	Very low	101 Å²	101	106 Å²	106	47%	0.468	54%	0.536	S	S	.	.	H	α-helix	trans	-62.8	-38.3	171.3	-122.3	-80.8	0	0	0	111.7	R15 Q23	R15-H19 PolarHBondContact O-N 2.68Å; H19-Q23 WeakPolarHBondContact O-CB 3.24Å; H19-Q23 WeakPolarHBondContact O-CG 3.11Å; H19-Q23 PolarHBondContact O-N 3.28Å
20	Y	30.1	Very low	32.8	Very low	144 Å²	144	108.3 Å²	108.3	57%	0.565	55%	0.547	S	S	*	.	H	α-helix	trans	-67.7	-39.9	176.3	-160.7	-92.2	0	0	0	112.9	N16 I18 N24	N16-Y20 WeakPolarHBondContact O-CB 3.37Å; N16-Y20 PolarHBondContact O-N 2.96Å; I18-Y20 VanDerWaalsContact C-N 3.31Å; I18-Y20 PolarHBondContact O-N 2.92Å; Y20-N24 WeakPolarHBondContact O-CB 3.39Å; Y20-N24 PolarHBondContact O-N 3.41Å; Y20-N24 VanDerWaalsContact O-N 3.09Å
21	N	30	Very low	32.6	Very low	108 Å²	108	106.6 Å²	106.6	58%	0.578	56%	0.559	S	S	*	*	H	α-helix	trans	-75.3	-32.2	176.7	-89.3	-23.2	0	0	0	113.2	Q17 I18 N24 A25	Q17-N21 PolarHBondContact O-N 2.87Å; Q17-N21 VanDerWaalsContact O-N 3.07Å; I18-N21 PolarHBondContact O-N 3.03Å; N21-N24 PolarHBondContact O-N 2.83Å; N21-A25 WeakPolarHBondContact O-CB 3.41Å; N21-A25 PolarHBondContact O-N 2.83Å
22	T	35.1	Very low	32.2	Very low	69 Å²	69	109.1 Å²	109.1	42%	0.423	57%	0.567	S	S	.	*	H	α-helix	trans	-71.1	-39.4	175.2	-54.2	0	0	0	0	110.8	I18 N24 A25 E26	I18-T22 VanDerWaalsContact O-CB 3.31Å; I18-T22 WeakPolarHBondContact O-CB 3.35Å; I18-T22 PolarHBondContact O-N 2.99Å; I18-T22 PolarHBondContact O-OG1 2.78Å; T22-N24 VanDerWaalsContact C-N 3.31Å; T22-N24 PolarHBondContact O-N 3.38Å; T22-A25 PolarHBondContact O-N 2.98Å; T22-E26 PolarHBondContact O-N 3.3Å; T22-E26 VanDerWaalsContact O-N 3.17Å
23	Q	32.7	Very low	31.7	Very low	101 Å²	101	112.2 Å²	112.2	47%	0.472	58%	0.581	S	S	.	*	H	α-helix	trans	-70.3	-19.9	170.9	-79.9	-174.1	-1.1	0	0	114.4	H19 R27	H19-Q23 WeakPolarHBondContact O-CB 3.24Å; H19-Q23 WeakPolarHBondContact O-CG 3.11Å; H19-Q23 PolarHBondContact O-N 3.28Å; Q23-R27 VanDerWaalsContact O-CG 3.31Å; Q23-R27 WeakPolarHBondContact O-CG 3.43Å; Q23-R27 PolarHBondContact O-NE 2.89Å
24	N	29.1	Very low	31.3	Very low	61 Å²	61	114.6 Å²	114.6	33%	0.326	59%	0.59	S	S	.	*	H	α-helix	trans	-83.4	-33.9	171.7	-86	0.4	0	0	0	112.1	Y20 N21 T22 E26 R27	Y20-N24 WeakPolarHBondContact O-CB 3.39Å; Y20-N24 PolarHBondContact O-N 3.41Å; Y20-N24 VanDerWaalsContact O-N 3.09Å; N21-N24 PolarHBondContact O-N 2.83Å; T22-N24 VanDerWaalsContact C-N 3.31Å; T22-N24 PolarHBondContact O-N 3.38Å; N24-E26 VanDerWaalsContact C-N 3.34Å; N24-R27 PolarHBondContact O-N 3.08Å; N24-R27 PolarHBondContact OD1-NH2 2.84Å
25	A	30.7	Very low	30.6	Very low	75 Å²	75	116.5 Å²	116.5	62%	0.62	61%	0.608	S	S	*	*	H	α-helix	trans	-70.4	-28.5	175.6	0	0	0	0	0	113	N21 T22	N21-A25 WeakPolarHBondContact O-CB 3.41Å; N21-A25 PolarHBondContact O-N 2.83Å; T22-A25 PolarHBondContact O-N 2.98Å
26	E	31.3	Very low	30.1	Very low	145 Å²	145	117.3 Å²	117.3	68%	0.678	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.5	-15.7	171.1	-73.6	-174.5	135.8	0	0	113.5	T22 N24	T22-E26 PolarHBondContact O-N 3.3Å; T22-E26 VanDerWaalsContact O-N 3.17Å; N24-E26 VanDerWaalsContact C-N 3.34Å
27	R	29.3	Very low	29.7	Very low	148 Å²	148	118.3 Å²	118.3	56%	0.558	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.9	-9.7	-178.9	-86	-169.6	-73.8	178.6	-3.9	115.6	Q23 N24 C29	Q23-R27 VanDerWaalsContact O-CG 3.31Å; Q23-R27 WeakPolarHBondContact O-CG 3.43Å; Q23-R27 PolarHBondContact O-NE 2.89Å; N24-R27 PolarHBondContact O-N 3.08Å; N24-R27 PolarHBondContact OD1-NH2 2.84Å; R27-C29 VanDerWaalsContact C-N 3.31Å
28	D	27.1	Very low	29.6	Very low	159 Å²	159	117 Å²	117	85%	0.85	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86	-2.1	172	-89.6	-22.4	0	0	0	113.3
29	C	29.4	Very low	28.9	Very low	104 Å²	104	119.2 Å²	119.2	70%	0.703	66%	0.66	S	S	*	*	S	Bend	trans	-134.3	58	178.2	-156.8	0	0	0	0	111.6	R27	R27-C29 VanDerWaalsContact C-N 3.31Å
30	T	26.7	Very low	28.5	Very low	123 Å²	123	121.8 Å²	121.8	76%	0.755	68%	0.677	S	S	*	*	S	Bend	trans	176.2	138	140.2	27.2	0	0	0	0	109.6	I32	T30-I32 PolarHBondContact O-N 3.48Å
31	S	26.4	Very low	28.7	Very low	122 Å²	122	123.9 Å²	123.9	85%	0.853	69%	0.694	S	S	*	*			trans	-43.4	131.7	-175.1	-59.6	0	0	0	0	114.6	E33	S31-E33 PolarHBondContact O-N 2.85Å
32	I	27.7	Very low	28.6	Very low	149 Å²	149	123.1 Å²	123.1	76%	0.764	70%	0.703	S	S	*	*			trans	-55.9	113.4	169.1	-63.5	163.2	0	0	0	109.8	T30 I34	T30-I32 PolarHBondContact O-N 3.48Å; I32-I34 HydrophobicContact CG2-CD1 4.03Å; I32-I34 HydrophobicContact CG2-CG1 4.01Å
33	E	23.6	Very low	28.3	Very low	184 Å²	184	125.1 Å²	125.1	86%	0.86	72%	0.72	S	S	*	*			trans	-132.6	98.8	150.2	-140.9	-179.3	177.6	0	0	108.3	S31 T35	S31-E33 PolarHBondContact O-N 2.85Å; E33-T35 PolarHBondContact O-N 3.48Å
34	I	26.3	Very low	28.3	Very low	137 Å²	137	129 Å²	129	70%	0.703	74%	0.743	S	S	*	*			trans	-82.8	110.2	179.2	-65.3	166.6	0	0	0	107.3	I32 V36	I32-I34 HydrophobicContact CG2-CD1 4.03Å; I32-I34 HydrophobicContact CG2-CG1 4.01Å; I34-V36 HydrophobicContact CG2-CG2 3.8Å
35	T	23.4	Very low	28.2	Very low	118 Å²	118	130 Å²	130	72%	0.724	77%	0.768	S	S	*	*			trans	-115.6	103.8	157.8	-55.7	0	0	0	0	108.6	E33 V37	E33-T35 PolarHBondContact O-N 3.48Å; T35-V37 HydrophobicContact CG2-CG2 4.13Å; T35-V37 PolarHBondContact O-N 3.5Å
36	V	32.5	Very low	28.2	Very low	124 Å²	124	137.7 Å²	137.7	75%	0.752	78%	0.781	S	S	*	*			trans	-71.8	117.7	171.2	178	0	0	0	0	108	I34	I34-V36 HydrophobicContact CG2-CG2 3.8Å
37	V	25.9	Very low	28.4	Very low	122 Å²	122	141.8 Å²	141.8	74%	0.739	79%	0.79	S	S	*	*			trans	-122.3	101.8	163.1	-175.6	0	0	0	0	109.4	T35	T35-V37 HydrophobicContact CG2-CG2 4.13Å; T35-V37 PolarHBondContact O-N 3.5Å
38	S	30.6	Very low	28.5	Very low	92 Å²	92	146.5 Å²	146.5	64%	0.643	81%	0.808	S	S	*	*			trans	-52.9	142	160.4	175.4	0	0	0	0	111.6
39	S	24.7	Very low	28.7	Very low	117 Å²	117	142.7 Å²	142.7	82%	0.818	81%	0.806	S	S	*	*			trans	-163.3	131.6	148.6	-77.5	0	0	0	0	112.9
40	N	26.1	Very low	28.7	Very low	155 Å²	155	143.9 Å²	143.9	83%	0.829	81%	0.809	S	S	*	*			trans	-74.4	166.4	-178.2	-80.8	-43.1	0	0	0	115
41	M	34.9	Very low	28.8	Very low	188 Å²	188	143.5 Å²	143.5	93%	0.926	81%	0.809	S	S	*	*			trans	-41.8	138.9	167.7	-61.2	160.5	88.4	0	0	116.3
42	A	27	Very low	29.3	Very low	93 Å²	93	144.2 Å²	144.2	77%	0.769	81%	0.808	S	S	*	*			trans	-174.9	109.9	147.4	0	0	0	0	0	108.9
43	S	29.9	Very low	29.6	Very low	111 Å²	111	142 Å²	142	78%	0.776	81%	0.805	S	S	*	*				92.8	124.1	87	78.2	0	0	0	0	116
44	L	32	Very low	30.3	Very low	182 Å²	182	144.6 Å²	144.6	95%	0.953	81%	0.808	S	S	*	*			trans	72.6	119.6	143.2	-133.1	76.6	0	0	0	120.8
45	G	26.8	Very low	30.6	Very low	82 Å²	82	144.5 Å²	144.5	85%	0.845	80%	0.804	S	S	*	*			trans	-176.1	99.8	167.4	0	0	0	0	0	115.2
46	R	30.3	Very low	31.3	Very low	237 Å²	237	147.8 Å²	147.8	89%	0.894	80%	0.803	S	S	*	*			trans	-74.8	134.5	-171.7	170.1	-170.8	-101.8	-167.2	-7.1	115.2
47	R	36.2	Very low	31.5	Very low	230 Å²	230	146.7 Å²	146.7	87%	0.868	81%	0.807	S	S	*	*			trans	32.2	130.5	147.7	-63.9	-174.8	-177.3	-126.5	1.2	120.5
48	R	31	Very low	31.8	Very low	248 Å²	248	146 Å²	146	94%	0.936	80%	0.803	S	S	*	*				-161.4	127.8	121.9	-105.3	172	-162.4	177	5	110.2
49	G	31.1	Very low	32.2	Very low	79 Å²	79	150 Å²	150	81%	0.814	81%	0.814	S	S	*	*			trans	-73.9	146.7	-178.4	0	0	0	0	0	112.8
50	V	29.1	Very low	32.5	Very low	128 Å²	128	147.9 Å²	147.9	78%	0.776	80%	0.804	S	S	*	*			trans	-124.1	133.5	163.5	177.9	0	0	0	0	105.8	V52	V50-V52 PolarHBondContact O-N 3.19Å
51	P	30.1	Very low	32.8	Very low	116 Å²	116	146.3 Å²	146.3	75%	0.753	80%	0.795	S	S	*	*			trans	-72.2	113.5	-170.8	28.7	-32.4	0	0	0	110.3	S53	P51-S53 PolarHBondContact O-N 2.98Å
52	V	36.3	Very low	33.1	Very low	137 Å²	137	142.7 Å²	142.7	83%	0.83	79%	0.788	S	S	*	*			trans	-73.5	82.8	164.6	176.8	0	0	0	0	107.4	V50 R54	V50-V52 PolarHBondContact O-N 3.19Å; V52-R54 WeakPolarHBondContact O-CB 3.44Å; V52-R54 PolarHBondContact O-N 3.19Å
53	S	34.2	Very low	33.9	Very low	101 Å²	101	140.6 Å²	140.6	71%	0.706	76%	0.764	S	S	*	*			trans	-67.1	106.2	151.9	-72	0	0	0	0	104.9	P51	P51-S53 PolarHBondContact O-N 2.98Å
54	R	37.8	Very low	34.4	Very low	240 Å²	240	138 Å²	138	91%	0.906	75%	0.745	S	S	*	*			cis	47.3	42.2	48.3	-144.5	-177.1	-169.6	-177.1	3.5	112.7	V52	V52-R54 WeakPolarHBondContact O-CB 3.44Å; V52-R54 PolarHBondContact O-N 3.19Å
55	E	32.8	Very low	35.4	Very low	135 Å²	135	133.3 Å²	133.3	63%	0.631	72%	0.715	S	S	*	*			trans	-143.7	112.1	150	-124.1	-176.1	118	0	0	110.6
56	R	38.2	Very low	36.6	Very low	186 Å²	186	133 Å²	133	70%	0.702	69%	0.693	S	S	*	*			trans	75.1	93.3	158.8	-51.7	173.3	-161.1	-177.9	-1	115.6	V58	R56-V58 HydrophobicContact CB-CG2 3.68Å; R56-V58 HydrophobicContact CG-CG2 4.35Å
57	A	35.5	Very low	37.7	Very low	101 Å²	101	121.7 Å²	121.7	84%	0.835	65%	0.651	S	S	*	*			cis	33.6	46.2	34.8	0	0	0	0	0	112.1	M59	A57-M59 PolarHBondContact O-N 3.49Å
58	V	33.4	Very low	38.4	Very low	109 Å²	109	115.9 Å²	115.9	66%	0.661	63%	0.634	S	S	*	*			trans	-75.7	84.8	159.1	-174.9	0	0	0	0	106	R56 A60	R56-V58 HydrophobicContact CB-CG2 3.68Å; R56-V58 HydrophobicContact CG-CG2 4.35Å; V58-A60 HydrophobicContact CG1-CB 3.63Å; V58-A60 PolarHBondContact O-N 3.43Å
59	M	39.4	Very low	39.3	Very low	175 Å²	175	108.2 Å²	108.2	86%	0.862	61%	0.608	S	S	*	*			trans	-56.1	90.8	147.1	-70.1	-175.6	72.1	0	0	107.2	A57	A57-M59 PolarHBondContact O-N 3.49Å
60	A	30	Very low	40	Very low	73 Å²	73	109.2 Å²	109.2	60%	0.603	59%	0.594	S	S	*	*			trans	-121.1	91.8	160.1	0	0	0	0	0	106.6	V58	V58-A60 HydrophobicContact CG1-CB 3.63Å; V58-A60 PolarHBondContact O-N 3.43Å
61	D	33.4	Very low	41.1	Very low	122 Å²	122	111.3 Å²	111.3	65%	0.652	59%	0.589	S	S	*	*	S	Bend	trans	75.5	133.5	178.1	-141.1	33.7	0	0	0	114.5	N63	D61-N63 PolarHBondContact O-N 3.21Å; D61-N63 PolarHBondContact OD2-ND2 2.91Å
62	S	39.7	Very low	41.9	Very low	111 Å²	111	113.4 Å²	113.4	78%	0.776	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.6	31.6	-176.6	-55.6	0	0	0	0	114.3
63	N	45.2	Very low	42.5	Very low	50 Å²	50	109.2 Å²	109.2	27%	0.267	58%	0.578	S	S	.	*	T	Hydrogen-bonded Turn	trans	-124.5	-21.3	-166.4	-75.2	-40.4	0	0	0	113.7	D61 K93 Y94	D61-N63 PolarHBondContact O-N 3.21Å; D61-N63 PolarHBondContact OD2-ND2 2.91Å; N63-K93 HydrophobicContact CB-CB 4.26Å; N63-K93 HydrophobicContact CB-CD 4.33Å; N63-K93 CarbonylContact O-C 3.49Å; N63-K93 WeakPolarHBondContact O-CB 3.36Å; N63-K93 PolarHBondContact O-N 3.2Å; N63-K93 WeakPolarHBondContact OD1-CD 3.46Å; N63-Y94 HydrophobicContact CB-CD2 4.32Å; N63-Y94 WeakPolarHBondContact O-CB 3.4Å; N63-Y94 WeakPolarHBondContact O-CD2 3.05Å; N63-Y94 PolarHBondContact O-N 3.03Å
64	C	40.1	Very low	43.5	Very low	56 Å²	56	114.2 Å²	114.2	38%	0.378	59%	0.591	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-135.8	124.4	-173	-161	0	0	0	0	113.1
65	Y	53.1	Low	44.5	Very low	83 Å²	83	107.6 Å²	107.6	33%	0.325	57%	0.573	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-120.1	126.5	171.9	-163.9	-98.2	0	0	0	108.7	V67 A87 Y94 I95 V96	Y65-V67 HydrophobicContact CD1-CG2 3.84Å; Y65-V67 HydrophobicContact CE1-CG2 3.9Å; Y65-A87 HydrophobicContact CD1-CB 3.62Å; Y65-A87 HydrophobicContact CE1-CB 4Å; Y65-A87 HydrophobicContact CG-CB 4.26Å; Y65-Y94 PolarHBondContact N-O 3.35Å; Y65-I95 WeakPolarHBondContact O-CA 3.2Å; Y65-V96 PolarHBondContact O-N 3.47Å
66	I	51.7	Low	45.6	Very low	75 Å²	75	103.4 Å²	103.4	39%	0.385	56%	0.562	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-110.3	116.4	-177.6	-55	175.6	0	0	0	106.5	H68 V96	I66-H68 WeakPolarHBondContact CG2-ND1 3.18Å; I66-V96 HydrophobicContact CG1-CB 4.3Å; I66-V96 HydrophobicContact CG1-CG2 4.37Å; I66-V96 HydrophobicContact CG2-CB 4.26Å; I66-V96 HydrophobicContact CG2-CG1 4.45Å
67	V	53.4	Low	46.4	Very low	1 Å²	1	99 Å²	99	1%	0.006	55%	0.549	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	108.3	176.5	-179.8	0	0	0	0	107.2	Y65 F80 E83 I95 V96	Y65-V67 HydrophobicContact CD1-CG2 3.84Å; Y65-V67 HydrophobicContact CE1-CG2 3.9Å; V67-F80 HydrophobicContact CG1-CD2 3.92Å; V67-F80 HydrophobicContact CG1-CE2 3.98Å; V67-E83 HydrophobicContact CG1-CB 4.34Å; V67-I95 HydrophobicContact CG2-CG2 4.28Å; V67-V96 PolarHBondContact N-O 3.29Å
68	H	51	Low	47.7	Very low	108 Å²	108	98.3 Å²	98.3	50%	0.5	53%	0.531	S	S	.	.			trans	-90.7	142.1	177.4	-91.2	30.9	0	0	0	111	I66 I70 E98	I66-H68 WeakPolarHBondContact CG2-ND1 3.18Å; H68-I70 PolarHBondContact O-N 3.31Å; H68-E98 IonicContact CD2-OE2 3.91Å; H68-E98 IonicContact CE1-OE1 3.74Å; H68-E98 IonicContact CE1-OE2 2.91Å; H68-E98 PolarHBondContact CE1-OE2 3Å; H68-E98 IonicContact CG-OE2 3.61Å; H68-E98 IonicContact ND1-OE2 2.97Å; H68-E98 PolarHBondContact ND1-OE2 2.73Å; H68-E98 IonicContact NE2-OE2 3.57Å
69	E	49.1	Very low	49.1	Very low	86 Å²	86	97.7 Å²	97.7	40%	0.402	52%	0.521	S	S	.	.			trans	-71.4	125.4	-179	-168.4	165.9	-158.4	0	0	112.1	Y71 P99	E69-Y71 HydrophobicContact CB-CD2 4.37Å; E69-Y71 HydrophobicContact CB-CE2 4.34Å; E69-Y71 VanDerWaalsContact CD-OH 3.23Å; E69-Y71 HydrophobicContact CG-CD2 3.64Å; E69-Y71 HydrophobicContact CG-CE2 3.56Å; E69-Y71 HydrophobicContact CG-CG 4.31Å; E69-Y71 VanDerWaalsContact OE1-CE2 3.29Å; E69-Y71 WeakPolarHBondContact OE1-CE2 3.37Å; E69-Y71 PolarHBondContact OE1-OH 3.07Å; E69-Y71 WeakPolarHBondContact OE2-CE2 3.26Å; E69-Y71 VanDerWaalsContact OE2-CZ 3.28Å; E69-Y71 PolarHBondContact OE2-OH 2.87Å; E69-Y71 VanDerWaalsContact OE2-OH 3.1Å; E69-P99 HydrophobicContact CG-CB 4.45Å
70	I	47.8	Very low	50.2	Low	100 Å²	100	90.3 Å²	90.3	51%	0.513	48%	0.484	S	S	.	.			trans	-97	92.3	168.3	-49.6	176.8	0	0	0	108	H68 N72	H68-I70 PolarHBondContact O-N 3.31Å; I70-N72 PolarHBondContact O-N 2.86Å; I70-N72 VanDerWaalsContact O-N 3.14Å
71	Y	50.2	Low	51.8	Low	172 Å²	172	89.2 Å²	89.2	68%	0.675	47%	0.467	S	S	*	.			trans	-74.6	95.7	169.6	-83.2	-81.2	0	0	0	110.6	E69	E69-Y71 HydrophobicContact CB-CD2 4.37Å; E69-Y71 HydrophobicContact CB-CE2 4.34Å; E69-Y71 VanDerWaalsContact CD-OH 3.23Å; E69-Y71 HydrophobicContact CG-CD2 3.64Å; E69-Y71 HydrophobicContact CG-CE2 3.56Å; E69-Y71 HydrophobicContact CG-CG 4.31Å; E69-Y71 VanDerWaalsContact OE1-CE2 3.29Å; E69-Y71 WeakPolarHBondContact OE1-CE2 3.37Å; E69-Y71 PolarHBondContact OE1-OH 3.07Å; E69-Y71 WeakPolarHBondContact OE2-CE2 3.26Å; E69-Y71 VanDerWaalsContact OE2-CZ 3.28Å; E69-Y71 PolarHBondContact OE2-OH 2.87Å; E69-Y71 VanDerWaalsContact OE2-OH 3.1Å
72	N	47.7	Very low	53.3	Low	160 Å²	160	90.4 Å²	90.4	86%	0.856	46%	0.463	S	S	*	.			trans	164.7	103.7	133.2	-97.3	-23.3	0	0	0	111.2	I70	I70-N72 PolarHBondContact O-N 2.86Å; I70-N72 VanDerWaalsContact O-N 3.14Å
73	G	49.3	Very low	54.5	Low	49 Å²	49	87.1 Å²	87.1	51%	0.505	44%	0.435	S	S	.	.	S	Bend	trans	163.3	148.8	164.6	0	0	0	0	0	111.4	N75 A76	G73-N75 PolarHBondContact O-N 2.91Å; G73-A76 WeakPolarHBondContact O-CB 3.5Å; G73-A76 PolarHBondContact O-N 3.49Å
74	E	54.6	Low	55.5	Low	207 Å²	207	85.6 Å²	85.6	97%	0.967	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	-15.6	171.4	-87.3	175.8	89.9	0	0	113.4
75	N	58.4	Low	56.7	Low	100 Å²	100	88.3 Å²	88.3	54%	0.535	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	12.6	180	-89.7	49.1	0	0	0	115.2	G73 Q77 D78 Q79	G73-N75 PolarHBondContact O-N 2.91Å; N75-Q77 PolarHBondContact O-N 3.23Å; N75-D78 PolarHBondContact ND2-OD2 3.25Å; N75-D78 PolarHBondContact O-N 2.92Å; N75-Q79 PolarHBondContact O-N 3.48Å; N75-Q79 VanDerWaalsContact O-N 3.16Å
76	A	56	Low	57.3	Low	47 Å²	47	88.5 Å²	88.5	39%	0.388	44%	0.438	S	S	.	.	H	α-helix	trans	-59.6	-30.1	-179.3	0	0	0	0	0	113.1	G73 F80	G73-A76 WeakPolarHBondContact O-CB 3.5Å; G73-A76 PolarHBondContact O-N 3.49Å; A76-F80 PolarHBondContact O-N 3.08Å
77	Q	56.2	Low	57.9	Low	95 Å²	95	84.9 Å²	84.9	44%	0.444	42%	0.42	S	S	.	.	H	α-helix	trans	-71	-48.3	177	-176	175.8	-15.9	0	0	112.5	N75 Q79 F80 E81	N75-Q77 PolarHBondContact O-N 3.23Å; Q77-Q79 VanDerWaalsContact C-N 3.25Å; Q77-Q79 PolarHBondContact O-N 2.84Å; Q77-F80 WeakPolarHBondContact O-CB 3.48Å; Q77-F80 PolarHBondContact O-N 3.27Å; Q77-E81 WeakPolarHBondContact O-CG 3.06Å; Q77-E81 PolarHBondContact O-N 2.8Å
78	D	63.1	Low	58.2	Low	85 Å²	85	85.9 Å²	85.9	46%	0.455	43%	0.425	S	S	.	.	H	α-helix	trans	-62.8	-35.2	179.3	-64.3	-28.2	0	0	0	111.7	N75 E81 Y82	N75-D78 PolarHBondContact ND2-OD2 3.25Å; N75-D78 PolarHBondContact O-N 2.92Å; D78-E81 PolarHBondContact O-N 3.46Å; D78-Y82 WeakPolarHBondContact O-CB 3.2Å; D78-Y82 PolarHBondContact O-N 2.98Å
79	Q	61.6	Low	58.7	Low	96 Å²	96	87.9 Å²	87.9	45%	0.449	44%	0.435	S	S	.	.	H	α-helix	trans	-72.2	-35.9	179.1	-170	152	4.9	0	0	112.3	N75 Q77 Y82 E83	N75-Q79 PolarHBondContact O-N 3.48Å; N75-Q79 VanDerWaalsContact O-N 3.16Å; Q77-Q79 VanDerWaalsContact C-N 3.25Å; Q77-Q79 PolarHBondContact O-N 2.84Å; Q79-Y82 PolarHBondContact O-N 3.17Å; Q79-E83 WeakPolarHBondContact O-CG 3.36Å; Q79-E83 PolarHBondContact O-N 3.04Å
80	F	63.3	Low	59.1	Low	21 Å²	21	86.9 Å²	86.9	9%	0.092	44%	0.441	C	S	.	.	H	α-helix	trans	-63.8	-44.3	171	172.5	-98.7	0	0	0	111.9	V67 A76 Q77 Y82 E83 L84 I97 P99 I102	V67-F80 HydrophobicContact CG1-CD2 3.92Å; V67-F80 HydrophobicContact CG1-CE2 3.98Å; A76-F80 PolarHBondContact O-N 3.08Å; Q77-F80 WeakPolarHBondContact O-CB 3.48Å; Q77-F80 PolarHBondContact O-N 3.27Å; F80-Y82 VanDerWaalsContact C-N 3.29Å; F80-Y82 PolarHBondContact O-N 3.36Å; F80-E83 PolarHBondContact O-N 3.48Å; F80-L84 HydrophobicContact CE1-CD2 4.19Å; F80-L84 HydrophobicContact CZ-CD2 4.49Å; F80-L84 VanDerWaalsContact O-CB 3.31Å; F80-L84 WeakPolarHBondContact O-CB 3.34Å; F80-L84 PolarHBondContact O-N 2.87Å; F80-I97 HydrophobicContact CE2-CG2 3.84Å; F80-I97 HydrophobicContact CZ-CD1 4.11Å; F80-I97 HydrophobicContact CZ-CG2 3.84Å; F80-P99 HydrophobicContact CD2-CG 3.97Å; F80-P99 HydrophobicContact CE2-CG 3.67Å; F80-P99 HydrophobicContact CZ-CG 4.34Å; F80-I102 HydrophobicContact CD1-CG2 3.73Å; F80-I102 HydrophobicContact CE1-CB 4.36Å; F80-I102 HydrophobicContact CE1-CG2 3.51Å; F80-I102 HydrophobicContact CZ-CG2 4.29Å
81	E	62.1	Low	59.5	Low	50 Å²	50	87.3 Å²	87.3	23%	0.234	44%	0.441	C	S	.	.	H	α-helix	trans	-61.2	-40.6	177.3	-71.2	176	-171.2	0	0	111.9	R15 Q77 D78 L84 E85	R15-E81 IonicContact CZ-OE1 3.61Å; R15-E81 IonicContact CZ-OE2 3.09Å; R15-E81 IonicContact NH1-OE1 3.94Å; R15-E81 IonicContact NH1-OE2 2.67Å; R15-E81 PolarHBondContact NH1-OE2 3.01Å; R15-E81 IonicContact NH2-OE1 2.7Å; R15-E81 PolarHBondContact NH2-OE1 3.16Å; R15-E81 IonicContact NH2-OE2 2.7Å; R15-E81 PolarHBondContact NH2-OE2 3.4Å; Q77-E81 WeakPolarHBondContact O-CG 3.06Å; Q77-E81 PolarHBondContact O-N 2.8Å; D78-E81 PolarHBondContact O-N 3.46Å; E81-L84 PolarHBondContact O-N 3.42Å; E81-E85 VanDerWaalsContact O-CB 3.32Å; E81-E85 WeakPolarHBondContact O-CB 3.27Å; E81-E85 PolarHBondContact O-N 3.42Å
82	Y	65.4	Low	59.7	Low	147 Å²	147	80 Å²	80	58%	0.576	41%	0.414	S	S	*	.	H	α-helix	trans	-64.6	-44.4	176	-176.6	-99.8	0	0	0	112.6	D78 Q79 F80 L84 E85 Q86	D78-Y82 WeakPolarHBondContact O-CB 3.2Å; D78-Y82 PolarHBondContact O-N 2.98Å; Q79-Y82 PolarHBondContact O-N 3.17Å; F80-Y82 VanDerWaalsContact C-N 3.29Å; F80-Y82 PolarHBondContact O-N 3.36Å; Y82-L84 VanDerWaalsContact C-N 3.34Å; Y82-E85 PolarHBondContact O-N 3.45Å; Y82-Q86 WeakPolarHBondContact O-CB 3.42Å; Y82-Q86 PolarHBondContact O-N 2.7Å
83	E	64.5	Low	59.8	Low	41 Å²	41	76.7 Å²	76.7	19%	0.192	39%	0.392	C	S	.	.	H	α-helix	trans	-67.1	-35.9	176.6	-73.7	-172.8	-171.1	0	0	112.3	V67 Q79 F80 Q86 A87	V67-E83 HydrophobicContact CG1-CB 4.34Å; Q79-E83 WeakPolarHBondContact O-CG 3.36Å; Q79-E83 PolarHBondContact O-N 3.04Å; F80-E83 PolarHBondContact O-N 3.48Å; E83-Q86 PolarHBondContact O-N 3.29Å; E83-A87 WeakPolarHBondContact O-CB 3.34Å; E83-A87 PolarHBondContact O-N 3.2Å
84	L	66.3	Low	59.9	Low	19 Å²	19	77.5 Å²	77.5	10%	0.099	38%	0.381	C	S	.	.	H	α-helix	trans	-66.3	-46.5	173.9	-179.1	63.4	0	0	0	111	F80 E81 Y82 Q86 A87 L88 I95 I97	F80-L84 HydrophobicContact CE1-CD2 4.19Å; F80-L84 HydrophobicContact CZ-CD2 4.49Å; F80-L84 VanDerWaalsContact O-CB 3.31Å; F80-L84 WeakPolarHBondContact O-CB 3.34Å; F80-L84 PolarHBondContact O-N 2.87Å; E81-L84 PolarHBondContact O-N 3.42Å; Y82-L84 VanDerWaalsContact C-N 3.34Å; L84-Q86 VanDerWaalsContact C-N 3.29Å; L84-Q86 PolarHBondContact O-N 3.31Å; L84-A87 PolarHBondContact O-N 3.03Å; L84-L88 HydrophobicContact CD1-CD1 4.43Å; L84-L88 HydrophobicContact CD1-CG 4.41Å; L84-L88 HydrophobicContact CG-CD1 4.03Å; L84-L88 HydrophobicContact CG-CG 4.45Å; L84-L88 WeakPolarHBondContact O-CB 3.31Å; L84-L88 WeakPolarHBondContact O-CG 3.29Å; L84-L88 PolarHBondContact O-N 3.45Å; L84-I95 HydrophobicContact CD1-CG2 4.39Å; L84-I97 HydrophobicContact CD1-CD1 4.37Å
85	E	66.6	Low	60.2	Low	113 Å²	113	67.7 Å²	67.7	53%	0.528	34%	0.335	S	S	.	.	H	α-helix	trans	-58.8	-43.5	175.4	-172.3	168.9	-155.2	0	0	110.6	E81 Y82 A87 L88 E89	E81-E85 VanDerWaalsContact O-CB 3.32Å; E81-E85 WeakPolarHBondContact O-CB 3.27Å; E81-E85 PolarHBondContact O-N 3.42Å; Y82-E85 PolarHBondContact O-N 3.45Å; E85-A87 PolarHBondContact O-N 2.94Å; E85-L88 WeakPolarHBondContact O-CB 3.48Å; E85-L88 PolarHBondContact O-N 3.03Å; E85-E89 WeakPolarHBondContact O-CB 3.41Å; E85-E89 WeakPolarHBondContact O-CG 3.42Å; E85-E89 PolarHBondContact O-N 3.25Å
86	Q	65.6	Low	60.1	Low	86 Å²	86	63.6 Å²	63.6	40%	0.402	31%	0.314	S	S	.	.	H	α-helix	trans	-62.9	-41.1	175.5	-174.7	170.6	57.6	0	0	112.8	Y82 E83 L84 E89 A90	Y82-Q86 WeakPolarHBondContact O-CB 3.42Å; Y82-Q86 PolarHBondContact O-N 2.7Å; E83-Q86 PolarHBondContact O-N 3.29Å; L84-Q86 VanDerWaalsContact C-N 3.29Å; L84-Q86 PolarHBondContact O-N 3.31Å; Q86-E89 PolarHBondContact O-N 3.33Å; Q86-A90 WeakPolarHBondContact O-CB 3.42Å; Q86-A90 PolarHBondContact O-N 3.16Å
87	A	63.1	Low	60.2	Low	0 Å²	0	61.4 Å²	61.4	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-67.8	-35.6	175.8	0	0	0	0	0	112.4	Y65 E83 L84 E85 Q91 C92 I95	Y65-A87 HydrophobicContact CD1-CB 3.62Å; Y65-A87 HydrophobicContact CE1-CB 4Å; Y65-A87 HydrophobicContact CG-CB 4.26Å; E83-A87 WeakPolarHBondContact O-CB 3.34Å; E83-A87 PolarHBondContact O-N 3.2Å; L84-A87 PolarHBondContact O-N 3.03Å; E85-A87 PolarHBondContact O-N 2.94Å; A87-Q91 PolarHBondContact O-N 3.3Å; A87-Q91 VanDerWaalsContact O-N 3.17Å; A87-C92 PolarHBondContact O-N 3.43Å; A87-I95 HydrophobicContact CB-CD1 4.01Å; A87-I95 HydrophobicContact CB-CG1 4.35Å
88	L	60.5	Low	60	Low	22 Å²	22	58.8 Å²	58.8	12%	0.115	28%	0.283	C	S	.	.	H	α-helix	trans	-67.9	-43.2	174.5	-70.4	169.6	0	0	0	111.5	L84 E85 Q91 I95 P165 C166 Y169	L84-L88 HydrophobicContact CD1-CD1 4.43Å; L84-L88 HydrophobicContact CD1-CG 4.41Å; L84-L88 HydrophobicContact CG-CD1 4.03Å; L84-L88 HydrophobicContact CG-CG 4.45Å; L84-L88 WeakPolarHBondContact O-CB 3.31Å; L84-L88 WeakPolarHBondContact O-CG 3.29Å; L84-L88 PolarHBondContact O-N 3.45Å; E85-L88 WeakPolarHBondContact O-CB 3.48Å; E85-L88 PolarHBondContact O-N 3.03Å; L88-Q91 PolarHBondContact O-N 3.42Å; L88-Q91 VanDerWaalsContact O-N 3.13Å; L88-I95 HydrophobicContact CD2-CD1 4.18Å; L88-P165 HydrophobicContact CB-CB 4.25Å; L88-P165 HydrophobicContact CD1-CB 4.42Å; L88-P165 HydrophobicContact CD2-CB 4.42Å; L88-C166 VanDerWaalsContact CD1-SG 3.58Å; L88-Y169 HydrophobicContact CD2-CD2 3.51Å; L88-Y169 HydrophobicContact CD2-CE2 3.16Å; L88-Y169 HydrophobicContact CD2-CG 4.35Å
89	E	62.1	Low	59.4	Low	150 Å²	150	55 Å²	55	70%	0.701	26%	0.263	S	S	*	.	H	α-helix	trans	-62.9	-43.1	173.6	-77.6	-171	164.2	0	0	111.6	E85 Q86 Q91	E85-E89 WeakPolarHBondContact O-CB 3.41Å; E85-E89 WeakPolarHBondContact O-CG 3.42Å; E85-E89 PolarHBondContact O-N 3.25Å; Q86-E89 PolarHBondContact O-N 3.33Å; E89-Q91 PolarHBondContact O-N 3.17Å; E89-Q91 VanDerWaalsContact O-N 3.14Å
90	A	57.7	Low	59	Low	65 Å²	65	53.6 Å²	53.6	54%	0.537	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-5.3	174.9	0	0	0	0	0	113.3	Q86 C92	Q86-A90 WeakPolarHBondContact O-CB 3.42Å; Q86-A90 PolarHBondContact O-N 3.16Å; A90-C92 PolarHBondContact O-N 3.36Å
91	Q	54.4	Low	58.4	Low	109 Å²	109	62.8 Å²	62.8	51%	0.509	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.7	31.1	170.9	-94.4	-161.9	30.6	0	0	113.3	A87 L88 E89 R196	A87-Q91 PolarHBondContact O-N 3.3Å; A87-Q91 VanDerWaalsContact O-N 3.17Å; L88-Q91 PolarHBondContact O-N 3.42Å; L88-Q91 VanDerWaalsContact O-N 3.13Å; E89-Q91 PolarHBondContact O-N 3.17Å; E89-Q91 VanDerWaalsContact O-N 3.14Å; Q91-R196 VanDerWaalsContact CG-NH1 3.32Å; Q91-R196 PolarHBondContact O-NH1 3.37Å
92	C	55.9	Low	58.1	Low	17 Å²	17	62.9 Å²	62.9	12%	0.115	30%	0.297	C	S	.	.			trans	-59.1	143.2	-175.7	-61.4	0	0	0	0	112.1	A87 A90 I95 Y169	A87-C92 PolarHBondContact O-N 3.43Å; A90-C92 PolarHBondContact O-N 3.36Å; C92-I95 HydrophobicContact CB-CG1 4.18Å; C92-Y169 VanDerWaalsContact O-CE1 3.27Å; C92-Y169 WeakPolarHBondContact O-CE1 3.23Å; C92-Y169 PolarHBondContact O-OH 3.46Å
93	K	49.8	Very low	57.8	Low	91 Å²	91	55.9 Å²	55.9	40%	0.396	27%	0.269	S	S	.	.	S	Bend	trans	-79.8	-30.6	-175.8	-168.3	178.3	179	178.8	0	113	N63 R196	N63-K93 HydrophobicContact CB-CB 4.26Å; N63-K93 HydrophobicContact CB-CD 4.33Å; N63-K93 CarbonylContact O-C 3.49Å; N63-K93 WeakPolarHBondContact O-CB 3.36Å; N63-K93 PolarHBondContact O-N 3.2Å; N63-K93 WeakPolarHBondContact OD1-CD 3.46Å; K93-R196 WeakPolarHBondContact O-CB 3.17Å; K93-R196 PolarHBondContact O-N 3.46Å
94	Y	50.4	Low	57.6	Low	67 Å²	67	57.6 Å²	57.6	26%	0.263	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	121.3	177	-60.4	-76.8	0	0	0	108.1	N63 Y65 V195	N63-Y94 HydrophobicContact CB-CD2 4.32Å; N63-Y94 WeakPolarHBondContact O-CB 3.4Å; N63-Y94 WeakPolarHBondContact O-CD2 3.05Å; N63-Y94 PolarHBondContact O-N 3.03Å; Y65-Y94 PolarHBondContact N-O 3.35Å; Y94-V195 HydrophobicContact CD1-CB 4.35Å; Y94-V195 HydrophobicContact CD1-CG1 4.1Å; Y94-V195 HydrophobicContact CD1-CG2 3.88Å; Y94-V195 HydrophobicContact CE1-CB 4.3Å; Y94-V195 HydrophobicContact CE1-CG1 3.65Å; Y94-V195 HydrophobicContact CE1-CG2 3.89Å
95	I	61.3	Low	57.3	Low	1 Å²	1	61.1 Å²	61.1	1%	0.005	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	112.9	172.2	-57.9	174.5	0	0	0	106.6	Y65 V67 L84 A87 L88 C92 I97 Y169 L194	Y65-I95 WeakPolarHBondContact O-CA 3.2Å; V67-I95 HydrophobicContact CG2-CG2 4.28Å; L84-I95 HydrophobicContact CD1-CG2 4.39Å; A87-I95 HydrophobicContact CB-CD1 4.01Å; A87-I95 HydrophobicContact CB-CG1 4.35Å; L88-I95 HydrophobicContact CD2-CD1 4.18Å; C92-I95 HydrophobicContact CB-CG1 4.18Å; I95-I97 HydrophobicContact CG2-CG1 4.06Å; I95-Y169 HydrophobicContact CD1-CD1 4Å; I95-Y169 HydrophobicContact CD1-CE1 3.52Å; I95-Y169 HydrophobicContact CG1-CD1 4.49Å; I95-Y169 HydrophobicContact CG1-CE1 4.04Å; I95-L194 HydrophobicContact CB-CB 4.29Å; I95-L194 PolarHBondContact N-O 3.48Å; I95-L194 PolarHBondContact O-N 2.98Å
96	V	55.5	Low	57.2	Low	14 Å²	14	57 Å²	57	9%	0.085	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	117.7	175.9	-177.8	0	0	0	0	107.6	Y65 I66 V67 E98 P191 V193	Y65-V96 PolarHBondContact O-N 3.47Å; I66-V96 HydrophobicContact CG1-CB 4.3Å; I66-V96 HydrophobicContact CG1-CG2 4.37Å; I66-V96 HydrophobicContact CG2-CB 4.26Å; I66-V96 HydrophobicContact CG2-CG1 4.45Å; V67-V96 PolarHBondContact N-O 3.29Å; V96-E98 HydrophobicContact CG1-CG 4.31Å; V96-P191 HydrophobicContact CG1-CB 4.01Å; V96-V193 HydrophobicContact CB-CG2 4.49Å; V96-V193 HydrophobicContact CG1-CG2 4.23Å; V96-V193 HydrophobicContact CG2-CG1 4.42Å; V96-V193 HydrophobicContact CG2-CG2 3.99Å
97	I	58.8	Low	57	Low	1 Å²	1	53 Å²	53	1%	0.005	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	112.1	178.9	-60.1	-174.6	0	0	0	107.8	F80 L84 I95 P99 V192 L194	F80-I97 HydrophobicContact CE2-CG2 3.84Å; F80-I97 HydrophobicContact CZ-CD1 4.11Å; F80-I97 HydrophobicContact CZ-CG2 3.84Å; L84-I97 HydrophobicContact CD1-CD1 4.37Å; I95-I97 HydrophobicContact CG2-CG1 4.06Å; I97-P99 HydrophobicContact CG2-CG 3.77Å; I97-V192 PolarHBondContact N-O 3.01Å; I97-V192 PolarHBondContact O-N 2.87Å; I97-L194 HydrophobicContact CB-CD1 4.42Å; I97-L194 HydrophobicContact CD1-CD1 3.22Å; I97-L194 HydrophobicContact CG1-CD1 3.66Å
98	E	51.3	Low	57.1	Low	39 Å²	39	59.8 Å²	59.8	18%	0.182	29%	0.286	C	S	.	.			trans	-88.6	-17.7	177.9	-65.3	-166	150.6	0	0	116.9	H68 V96 T100 L186	H68-E98 IonicContact CD2-OE2 3.91Å; H68-E98 IonicContact CE1-OE1 3.74Å; H68-E98 IonicContact CE1-OE2 2.91Å; H68-E98 PolarHBondContact CE1-OE2 3Å; H68-E98 IonicContact CG-OE2 3.61Å; H68-E98 IonicContact ND1-OE2 2.97Å; H68-E98 PolarHBondContact ND1-OE2 2.73Å; H68-E98 IonicContact NE2-OE2 3.57Å; V96-E98 HydrophobicContact CG1-CG 4.31Å; E98-T100 PolarHBondContact O-N 3.11Å; E98-L186 WeakPolarHBondContact OE1-CD1 3.36Å; E98-L186 WeakPolarHBondContact OE1-CD2 3.36Å
99	P	51.8	Low	57.1	Low	7 Å²	7	63.7 Å²	63.7	5%	0.045	30%	0.299	C	S	.	.			trans	-75.9	110.7	168.6	26.9	-33	0	0	0	110.8	E69 F80 I97 R101 G103	E69-P99 HydrophobicContact CG-CB 4.45Å; F80-P99 HydrophobicContact CD2-CG 3.97Å; F80-P99 HydrophobicContact CE2-CG 3.67Å; F80-P99 HydrophobicContact CZ-CG 4.34Å; I97-P99 HydrophobicContact CG2-CG 3.77Å; P99-R101 PolarHBondContact O-N 3.12Å; P99-G103 PolarHBondContact O-N 2.93Å
100	T	52.8	Low	57.5	Low	65 Å²	65	57.1 Å²	57.1	40%	0.399	27%	0.268	S	S	.	.	H	α-helix	trans	-60.4	-38.7	179.8	34.5	0	0	0	0	113	E98 D104	E98-T100 PolarHBondContact O-N 3.11Å; T100-D104 VanDerWaalsContact O-CB 3.24Å; T100-D104 WeakPolarHBondContact O-CB 3.28Å; T100-D104 PolarHBondContact O-N 2.76Å; T100-D104 VanDerWaalsContact O-N 3.15Å; T100-D104 VanDerWaalsContact O-OD2 3.13Å
101	R	50.8	Low	57.8	Low	214 Å²	214	57.5 Å²	57.5	81%	0.808	26%	0.264	S	S	*	.	H	α-helix	trans	-72.6	-47.4	-175.1	-62.9	-157.4	-170.6	-133.1	6.3	114.2	P99 E105	P99-R101 PolarHBondContact O-N 3.12Å; R101-E105 PolarHBondContact O-N 3.36Å
102	I	55.7	Low	58.3	Low	53 Å²	53	55.1 Å²	55.1	27%	0.272	26%	0.257	S	S	.	.	H	α-helix	trans	-81.1	-34.5	-178.2	-52.2	-56.3	0	0	0	110.9	F80 D104 E105 T106	F80-I102 HydrophobicContact CD1-CG2 3.73Å; F80-I102 HydrophobicContact CE1-CB 4.36Å; F80-I102 HydrophobicContact CE1-CG2 3.51Å; F80-I102 HydrophobicContact CZ-CG2 4.29Å; I102-D104 VanDerWaalsContact C-N 3.32Å; I102-D104 PolarHBondContact O-N 3.21Å; I102-E105 PolarHBondContact O-N 3.13Å; I102-T106 PolarHBondContact O-N 3.17Å; I102-T106 PolarHBondContact O-OG1 2.87Å
103	G	58.6	Low	58.7	Low	0 Å²	0	54.4 Å²	54.4	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-61.3	-38.2	173.7	0	0	0	0	0	113	P99 T106 A107	P99-G103 PolarHBondContact O-N 2.93Å; G103-T106 PolarHBondContact O-N 3.01Å; G103-A107 WeakPolarHBondContact O-CB 3.44Å; G103-A107 PolarHBondContact O-N 3.25Å
104	D	61.1	Low	59.4	Low	77 Å²	77	52.7 Å²	52.7	41%	0.412	25%	0.247	S	C	.	.	H	α-helix	trans	-66.6	-35.9	174.7	-78.3	-18.7	0	0	0	112.4	T100 I102 A107 R108	T100-D104 VanDerWaalsContact O-CB 3.24Å; T100-D104 WeakPolarHBondContact O-CB 3.28Å; T100-D104 PolarHBondContact O-N 2.76Å; T100-D104 VanDerWaalsContact O-N 3.15Å; T100-D104 VanDerWaalsContact O-OD2 3.13Å; I102-D104 VanDerWaalsContact C-N 3.32Å; I102-D104 PolarHBondContact O-N 3.21Å; D104-A107 PolarHBondContact O-N 3.46Å; D104-R108 VanDerWaalsContact O-CB 3.26Å; D104-R108 WeakPolarHBondContact O-CB 3.05Å; D104-R108 PolarHBondContact O-N 3.35Å
105	E	60.5	Low	60.1	Low	92 Å²	92	52.8 Å²	52.8	43%	0.43	26%	0.257	S	S	.	.	H	α-helix	trans	-66	-51.6	173.8	-71.6	-175.5	-177.3	0	0	111.2	R101 I102 A107 R108 W109	R101-E105 PolarHBondContact O-N 3.36Å; I102-E105 PolarHBondContact O-N 3.13Å; E105-A107 PolarHBondContact O-N 2.88Å; E105-R108 WeakPolarHBondContact O-CB 3.23Å; E105-R108 PolarHBondContact O-N 3.06Å; E105-R108 VanDerWaalsContact O-N 3.08Å; E105-W109 PolarHBondContact O-N 3.27Å
106	T	64.4	Low	60.2	Low	27 Å²	27	54.6 Å²	54.6	17%	0.166	27%	0.266	C	S	.	.	H	α-helix	trans	-55.5	-42.6	175.1	-55.3	0	0	0	0	111.1	I102 G103 W109 I110	I102-T106 PolarHBondContact O-N 3.17Å; I102-T106 PolarHBondContact O-OG1 2.87Å; G103-T106 PolarHBondContact O-N 3.01Å; T106-W109 PolarHBondContact O-N 3.14Å; T106-I110 HydrophobicContact CG2-CD1 4.14Å; T106-I110 WeakPolarHBondContact O-CG1 3.22Å; T106-I110 PolarHBondContact O-N 3.49Å
107	A	61.2	Low	60.8	Low	1 Å²	1	56 Å²	56	1%	0.008	27%	0.272	C	S	.	.	H	α-helix	trans	-65.7	-38.6	177.3	0	0	0	0	0	113.2	G103 D104 E105 I110 T111 V171 Y173 V192	G103-A107 WeakPolarHBondContact O-CB 3.44Å; G103-A107 PolarHBondContact O-N 3.25Å; D104-A107 PolarHBondContact O-N 3.46Å; E105-A107 PolarHBondContact O-N 2.88Å; A107-I110 PolarHBondContact O-N 3.44Å; A107-T111 WeakPolarHBondContact O-CB 3.14Å; A107-T111 PolarHBondContact O-N 2.93Å; A107-T111 PolarHBondContact O-OG1 3.37Å; A107-V171 HydrophobicContact CB-CB 4.26Å; A107-V171 HydrophobicContact CB-CG1 3.77Å; A107-V171 HydrophobicContact CB-CG2 3.58Å; A107-Y173 WeakPolarHBondContact CB-OH 3.25Å; A107-V192 HydrophobicContact CB-CG1 4.42Å
108	R	63.9	Low	61.1	Low	144 Å²	144	62.8 Å²	62.8	54%	0.543	30%	0.301	S	S	.	.	H	α-helix	trans	-62	-43.8	173.5	-173.8	179.4	69	161.1	-0.9	110.8	D104 E105 I110 T111 V112	D104-R108 VanDerWaalsContact O-CB 3.26Å; D104-R108 WeakPolarHBondContact O-CB 3.05Å; D104-R108 PolarHBondContact O-N 3.35Å; E105-R108 WeakPolarHBondContact O-CB 3.23Å; E105-R108 PolarHBondContact O-N 3.06Å; E105-R108 VanDerWaalsContact O-N 3.08Å; R108-I110 PolarHBondContact O-N 3.19Å; R108-T111 CarbonylContact O-C 3.52Å; R108-T111 WeakPolarHBondContact O-CB 3.37Å; R108-T111 PolarHBondContact O-N 3.44Å; R108-T111 VanDerWaalsContact O-N 3.16Å; R108-V112 HydrophobicContact CG-CG2 4.47Å; R108-V112 VanDerWaalsContact O-CG2 3.29Å; R108-V112 WeakPolarHBondContact O-CG2 3.48Å; R108-V112 PolarHBondContact O-N 3.09Å
109	W	62.2	Low	61.8	Low	104 Å²	104	63.7 Å²	63.7	39%	0.394	31%	0.309	S	S	.	.	H	α-helix	trans	-62.8	-42.3	177.4	-68.7	113.9	0	0	0	112.5	I18 E105 T106 T111 V112 G113 W161	I18-W109 HydrophobicContact CG2-CH2 4.25Å; E105-W109 PolarHBondContact O-N 3.27Å; T106-W109 PolarHBondContact O-N 3.14Å; W109-T111 VanDerWaalsContact C-N 3.31Å; W109-T111 PolarHBondContact O-N 3.07Å; W109-V112 PolarHBondContact O-N 3.19Å; W109-G113 PolarHBondContact O-N 3.5Å; W109-W161 HydrophobicContact CE3-CZ2 4.43Å
110	I	69.4	Low	62.5	Low	11 Å²	11	63.7 Å²	63.7	6%	0.056	31%	0.31	C	S	.	.	H	α-helix	trans	-62.4	-41.4	173.6	-66.6	165.1	0	0	0	110.6	T106 A107 R108 G113 N114 V171 L194	T106-I110 HydrophobicContact CG2-CD1 4.14Å; T106-I110 WeakPolarHBondContact O-CG1 3.22Å; T106-I110 PolarHBondContact O-N 3.49Å; A107-I110 PolarHBondContact O-N 3.44Å; R108-I110 PolarHBondContact O-N 3.19Å; I110-G113 PolarHBondContact O-N 2.91Å; I110-N114 PolarHBondContact O-N 2.79Å; I110-N114 PolarHBondContact O-ND2 3.47Å; I110-V171 HydrophobicContact CB-CG2 4.02Å; I110-V171 HydrophobicContact CD1-CG2 3.89Å; I110-V171 HydrophobicContact CG2-CG2 4Å; I110-L194 HydrophobicContact CD1-CD2 3.42Å; I110-L194 VanDerWaalsContact CD1-CD2 3.42Å
111	T	63.1	Low	63	Low	74 Å²	74	62.1 Å²	62.1	45%	0.454	30%	0.3	S	S	.	.	H	α-helix	trans	-66.2	-40.7	178.2	-58.9	0	0	0	0	112	A107 R108 W109 N114 C115	A107-T111 WeakPolarHBondContact O-CB 3.14Å; A107-T111 PolarHBondContact O-N 2.93Å; A107-T111 PolarHBondContact O-OG1 3.37Å; R108-T111 CarbonylContact O-C 3.52Å; R108-T111 WeakPolarHBondContact O-CB 3.37Å; R108-T111 PolarHBondContact O-N 3.44Å; R108-T111 VanDerWaalsContact O-N 3.16Å; W109-T111 VanDerWaalsContact C-N 3.31Å; W109-T111 PolarHBondContact O-N 3.07Å; T111-N114 PolarHBondContact O-N 3.11Å; T111-C115 WeakPolarHBondContact O-CB 3.37Å; T111-C115 PolarHBondContact O-N 3.24Å
112	V	66.1	Low	63.9	Low	59 Å²	59	57.5 Å²	57.5	36%	0.358	29%	0.291	S	S	.	.	H	α-helix	trans	-63	-44.8	174.9	169.4	0	0	0	0	110.7	R108 W109 N114 C115 L116 W161	R108-V112 HydrophobicContact CG-CG2 4.47Å; R108-V112 VanDerWaalsContact O-CG2 3.29Å; R108-V112 WeakPolarHBondContact O-CG2 3.48Å; R108-V112 PolarHBondContact O-N 3.09Å; W109-V112 PolarHBondContact O-N 3.19Å; V112-N114 VanDerWaalsContact C-N 3.31Å; V112-N114 PolarHBondContact O-N 2.92Å; V112-C115 WeakPolarHBondContact O-CB 3.43Å; V112-C115 PolarHBondContact O-N 2.86Å; V112-C115 VanDerWaalsContact O-N 3.17Å; V112-L116 HydrophobicContact CG1-CD1 4.1Å; V112-L116 WeakPolarHBondContact O-CG 3.18Å; V112-L116 PolarHBondContact O-N 3.2Å; V112-W161 HydrophobicContact CG1-CH2 4.23Å
113	G	63.6	Low	64.6	Low	1 Å²	1	55.8 Å²	55.8	1%	0.01	28%	0.284	C	S	.	.	H	α-helix	trans	-58.4	-42.3	173.9	0	0	0	0	0	112.4	W109 I110 L116 H117 Y157	W109-G113 PolarHBondContact O-N 3.5Å; I110-G113 PolarHBondContact O-N 2.91Å; G113-L116 PolarHBondContact O-N 3.42Å; G113-H117 PolarHBondContact O-N 2.91Å; G113-Y157 WeakPolarHBondContact O-CD2 3.41Å; G113-Y157 VanDerWaalsContact O-CE2 3.23Å; G113-Y157 WeakPolarHBondContact O-CE2 3.31Å
114	N	64.8	Low	64.9	Low	55 Å²	55	56.4 Å²	56.4	29%	0.294	29%	0.29	S	S	.	.	H	α-helix	trans	-67.8	-35.7	175.6	-74.5	-34.4	0	0	0	113.2	I110 T111 V112 H117 K118	I110-N114 PolarHBondContact O-N 2.79Å; I110-N114 PolarHBondContact O-ND2 3.47Å; T111-N114 PolarHBondContact O-N 3.11Å; V112-N114 VanDerWaalsContact C-N 3.31Å; V112-N114 PolarHBondContact O-N 2.92Å; N114-H117 PolarHBondContact O-N 3.18Å; N114-K118 PolarHBondContact O-N 2.82Å; N114-K118 VanDerWaalsContact O-N 3.08Å
115	C	64.9	Low	65.2	Low	69 Å²	69	55.9 Å²	55.9	47%	0.466	29%	0.29	S	S	.	.	H	α-helix	trans	-64.2	-49.5	173.6	-172.1	0	0	0	0	110.5	T111 V112 H117 K118 T119	T111-C115 WeakPolarHBondContact O-CB 3.37Å; T111-C115 PolarHBondContact O-N 3.24Å; V112-C115 WeakPolarHBondContact O-CB 3.43Å; V112-C115 PolarHBondContact O-N 2.86Å; V112-C115 VanDerWaalsContact O-N 3.17Å; C115-H117 VanDerWaalsContact C-N 3.26Å; C115-H117 PolarHBondContact O-N 3.47Å; C115-K118 PolarHBondContact O-N 3.01Å; C115-T119 WeakPolarHBondContact O-CG2 3.34Å; C115-T119 PolarHBondContact O-N 2.82Å; C115-T119 PolarHBondContact O-OG1 3.04Å
116	L	64.4	Low	65.7	Low	39 Å²	39	54.9 Å²	54.9	20%	0.204	29%	0.29	C	S	.	.	H	α-helix	trans	-55.8	-39.8	176	-79.9	167.2	0	0	0	112.5	V112 G113 T119 A120 C153 W161	V112-L116 HydrophobicContact CG1-CD1 4.1Å; V112-L116 WeakPolarHBondContact O-CG 3.18Å; V112-L116 PolarHBondContact O-N 3.2Å; G113-L116 PolarHBondContact O-N 3.42Å; L116-T119 WeakPolarHBondContact CA-OG1 3.28Å; L116-T119 PolarHBondContact O-OG1 3.44Å; L116-A120 VanDerWaalsContact O-CB 3.28Å; L116-A120 WeakPolarHBondContact O-CB 3.34Å; L116-A120 PolarHBondContact O-N 2.86Å; L116-C153 HydrophobicContact CD2-CB 4.44Å; L116-W161 HydrophobicContact CD1-CE3 4.23Å; L116-W161 HydrophobicContact CD1-CH2 4Å; L116-W161 HydrophobicContact CD1-CZ3 3.54Å
117	H	67.4	Low	65.8	Low	43 Å²	43	54.2 Å²	54.2	20%	0.199	29%	0.286	C	S	.	.	H	α-helix	trans	-64.4	-47.7	174.6	-174.7	64	0	0	0	111.9	G113 N114 C115 T119 A120 V121 Y157 H206	G113-H117 PolarHBondContact O-N 2.91Å; N114-H117 PolarHBondContact O-N 3.18Å; C115-H117 VanDerWaalsContact C-N 3.26Å; C115-H117 PolarHBondContact O-N 3.47Å; H117-T119 PolarHBondContact O-N 2.91Å; H117-A120 PolarHBondContact O-N 2.67Å; H117-V121 WeakPolarHBondContact O-CG2 3.3Å; H117-V121 PolarHBondContact O-N 2.98Å; H117-Y157 HydrophobicContact CB-CD2 4.32Å; H117-Y157 HydrophobicContact CB-CE2 4.1Å; H117-H206 AromaticContact CE1-CG 3.48Å; H117-H206 VanDerWaalsContact CE1-CG 3.48Å; H117-H206 AromaticContact CE1-ND1 3.42Å; H117-H206 PolarHBondContact CE1-ND1 3.18Å; H117-H206 AromaticContact NE2-CE1 3.88Å; H117-H206 AromaticContact NE2-CG 3.5Å; H117-H206 AromaticContact NE2-ND1 2.94Å; H117-H206 PolarHBondContact NE2-ND1 3.47Å
118	K	65.1	Low	66	Low	145 Å²	145	56.8 Å²	56.8	63%	0.63	30%	0.299	S	S	*	.	H	α-helix	trans	-64.6	-39.1	178.3	-76.6	166.8	174.2	-90.7	0	112.5	N114 C115 V121 L122	N114-K118 PolarHBondContact O-N 2.82Å; N114-K118 VanDerWaalsContact O-N 3.08Å; C115-K118 PolarHBondContact O-N 3.01Å; K118-V121 PolarHBondContact O-N 3.16Å; K118-L122 WeakPolarHBondContact O-CB 3.38Å; K118-L122 WeakPolarHBondContact O-CG 3.46Å; K118-L122 PolarHBondContact O-N 2.83Å
119	T	65.9	Low	66.2	Low	57 Å²	57	54.2 Å²	54.2	35%	0.35	30%	0.296	S	S	.	.	H	α-helix	trans	-70.4	-40	179.6	56.9	0	0	0	0	111.5	C115 L116 H117 V121 L122 S123	C115-T119 WeakPolarHBondContact O-CG2 3.34Å; C115-T119 PolarHBondContact O-N 2.82Å; C115-T119 PolarHBondContact O-OG1 3.04Å; L116-T119 WeakPolarHBondContact CA-OG1 3.28Å; L116-T119 PolarHBondContact O-OG1 3.44Å; H117-T119 PolarHBondContact O-N 2.91Å; T119-V121 PolarHBondContact O-N 3.4Å; T119-L122 PolarHBondContact O-N 3.42Å; T119-S123 VanDerWaalsContact O-CB 3.3Å; T119-S123 WeakPolarHBondContact O-CB 3.34Å; T119-S123 PolarHBondContact O-N 2.98Å; T119-S123 PolarHBondContact O-OG 3.28Å
120	A	66.9	Low	66.5	Low	7 Å²	7	49.7 Å²	49.7	6%	0.058	28%	0.28	C	S	.	.	H	α-helix	trans	-56.4	-38.2	173.3	0	0	0	0	0	111.4	L116 H117 S123 G124 S150 C153 A154	L116-A120 VanDerWaalsContact O-CB 3.28Å; L116-A120 WeakPolarHBondContact O-CB 3.34Å; L116-A120 PolarHBondContact O-N 2.86Å; H117-A120 PolarHBondContact O-N 2.67Å; A120-S123 WeakPolarHBondContact CA-OG 3.32Å; A120-S123 PolarHBondContact O-OG 3.34Å; A120-G124 PolarHBondContact O-N 2.77Å; A120-S150 WeakPolarHBondContact O-CB 3.38Å; A120-S150 PolarHBondContact O-OG 3.42Å; A120-C153 HydrophobicContact CB-CB 3.76Å; A120-A154 HydrophobicContact CB-CB 4.41Å
121	V	64.3	Low	66.1	Low	32 Å²	32	52.3 Å²	52.3	19%	0.194	30%	0.298	C	S	.	.	H	α-helix	trans	-77.8	-45.9	-176.1	168.5	0	0	0	0	111.7	H117 K118 T119 G124 T125 H206	H117-V121 WeakPolarHBondContact O-CG2 3.3Å; H117-V121 PolarHBondContact O-N 2.98Å; K118-V121 PolarHBondContact O-N 3.16Å; T119-V121 PolarHBondContact O-N 3.4Å; V121-G124 PolarHBondContact O-N 3.13Å; V121-T125 WeakPolarHBondContact O-CB 3.31Å; V121-T125 PolarHBondContact O-N 3.39Å; V121-T125 PolarHBondContact O-OG1 3.48Å; V121-H206 WeakPolarHBondContact CB-NE2 3.33Å; V121-H206 VanDerWaalsContact CG1-CE1 3.4Å; V121-H206 WeakPolarHBondContact CG1-CE1 3.31Å; V121-H206 WeakPolarHBondContact CG1-NE2 3.29Å; V121-H206 WeakPolarHBondContact CG2-CD2 3.24Å; V121-H206 WeakPolarHBondContact CG2-CE1 3.44Å; V121-H206 WeakPolarHBondContact CG2-NE2 3.42Å
122	L	69.6	Low	66.3	Low	118 Å²	118	55.7 Å²	55.7	62%	0.618	31%	0.312	S	S	*	.	H	α-helix	trans	-61.5	-47.2	176.4	-76.8	166.4	0	0	0	110.5	K118 T119 G124 T125 V126	K118-L122 WeakPolarHBondContact O-CB 3.38Å; K118-L122 WeakPolarHBondContact O-CG 3.46Å; K118-L122 PolarHBondContact O-N 2.83Å; T119-L122 PolarHBondContact O-N 3.42Å; L122-G124 PolarHBondContact O-N 3.02Å; L122-T125 PolarHBondContact O-N 2.67Å; L122-V126 VanDerWaalsContact O-CG2 3.28Å; L122-V126 WeakPolarHBondContact O-CG2 3.5Å; L122-V126 PolarHBondContact O-N 2.7Å
123	S	70.4	Confident	66.2	Low	17 Å²	17	57.4 Å²	57.4	12%	0.119	33%	0.327	C	S	.	.	H	α-helix	trans	-63.4	-39.2	177.3	55.1	0	0	0	0	112.8	T119 A120 V126 C127 S150	T119-S123 VanDerWaalsContact O-CB 3.3Å; T119-S123 WeakPolarHBondContact O-CB 3.34Å; T119-S123 PolarHBondContact O-N 2.98Å; T119-S123 PolarHBondContact O-OG 3.28Å; A120-S123 WeakPolarHBondContact CA-OG 3.32Å; A120-S123 PolarHBondContact O-OG 3.34Å; S123-V126 PolarHBondContact O-N 2.98Å; S123-C127 WeakPolarHBondContact O-CB 3.27Å; S123-C127 PolarHBondContact O-N 3.22Å; S123-S150 VanDerWaalsContact OG-CA 3.3Å; S123-S150 WeakPolarHBondContact OG-CA 3.39Å; S123-S150 VanDerWaalsContact OG-CB 3.27Å; S123-S150 WeakPolarHBondContact OG-CB 3.44Å
124	G	63.5	Low	66.2	Low	13 Å²	13	61 Å²	61	13%	0.134	35%	0.346	C	S	.	.	H	α-helix	trans	-66.1	-38.1	174.3	0	0	0	0	0	113.1	A120 V121 L122 C127 L128 S150	A120-G124 PolarHBondContact O-N 2.77Å; V121-G124 PolarHBondContact O-N 3.13Å; L122-G124 PolarHBondContact O-N 3.02Å; G124-C127 WeakPolarHBondContact O-CB 3.5Å; G124-C127 PolarHBondContact O-N 2.89Å; G124-L128 PolarHBondContact O-N 2.71Å; G124-L128 VanDerWaalsContact O-N 3.11Å; G124-S150 WeakPolarHBondContact CA-OG 3.47Å; G124-S150 PolarHBondContact N-OG 2.64Å
125	T	66.8	Low	66.3	Low	65 Å²	65	62.4 Å²	62.4	40%	0.399	36%	0.358	S	S	.	.	H	α-helix	trans	-68.2	-41.3	176	-53.4	0	0	0	0	111.2	V121 L122 C127 L128 L129	V121-T125 WeakPolarHBondContact O-CB 3.31Å; V121-T125 PolarHBondContact O-N 3.39Å; V121-T125 PolarHBondContact O-OG1 3.48Å; L122-T125 PolarHBondContact O-N 2.67Å; T125-C127 VanDerWaalsContact C-N 3.33Å; T125-C127 PolarHBondContact O-N 3.07Å; T125-L128 PolarHBondContact O-N 3.09Å; T125-L129 HydrophobicContact CG2-CD1 3.91Å; T125-L129 HydrophobicContact CG2-CG 4.41Å; T125-L129 WeakPolarHBondContact O-CG 3.48Å; T125-L129 PolarHBondContact O-N 2.75Å
126	V	71.7	Confident	66.1	Low	72 Å²	72	66 Å²	66	44%	0.436	37%	0.37	S	S	.	.	H	α-helix	trans	-60.7	-43.8	173.1	169.9	0	0	0	0	110.4	L122 S123 L128 L129 T130	L122-V126 VanDerWaalsContact O-CG2 3.28Å; L122-V126 WeakPolarHBondContact O-CG2 3.5Å; L122-V126 PolarHBondContact O-N 2.7Å; S123-V126 PolarHBondContact O-N 2.98Å; V126-L128 VanDerWaalsContact C-N 3.3Å; V126-L128 PolarHBondContact O-N 3.07Å; V126-L129 PolarHBondContact O-N 2.98Å; V126-T130 VanDerWaalsContact O-CB 3.31Å; V126-T130 WeakPolarHBondContact O-CB 3.36Å; V126-T130 PolarHBondContact O-N 3.34Å; V126-T130 PolarHBondContact O-OG1 2.98Å
127	C	66.5	Low	66.1	Low	13 Å²	13	71.4 Å²	71.4	9%	0.088	40%	0.395	C	S	.	.	H	α-helix	trans	-56	-42.5	175	-176	0	0	0	0	112.3	S123 G124 T125 P131 A143 A146	S123-C127 WeakPolarHBondContact O-CB 3.27Å; S123-C127 PolarHBondContact O-N 3.22Å; G124-C127 WeakPolarHBondContact O-CB 3.5Å; G124-C127 PolarHBondContact O-N 2.89Å; T125-C127 VanDerWaalsContact C-N 3.33Å; T125-C127 PolarHBondContact O-N 3.07Å; C127-P131 WeakPolarHBondContact O-CD 3.44Å; C127-A143 PolarHBondContact SG-O 2.92Å; C127-A146 HydrophobicContact CB-CB 4.39Å
128	L	66.1	Low	65.9	Low	54 Å²	54	76.9 Å²	76.9	28%	0.283	42%	0.415	S	S	.	.	H	α-helix	trans	-72.5	-35.7	178.3	-76.4	179.1	0	0	0	114.4	G124 T125 V126 P131 A213 Y216	G124-L128 PolarHBondContact O-N 2.71Å; G124-L128 VanDerWaalsContact O-N 3.11Å; T125-L128 PolarHBondContact O-N 3.09Å; V126-L128 VanDerWaalsContact C-N 3.3Å; V126-L128 PolarHBondContact O-N 3.07Å; L128-P131 WeakPolarHBondContact O-CD 3.37Å; L128-P131 WeakPolarHBondContact O-CG 3.32Å; L128-A213 HydrophobicContact CD1-CB 3.32Å; L128-A213 HydrophobicContact CD2-CB 4.18Å; L128-A213 HydrophobicContact CG-CB 3.88Å; L128-Y216 HydrophobicContact CD2-CD1 3.89Å
129	L	68.6	Low	65.8	Low	91 Å²	91	70.5 Å²	70.5	48%	0.476	39%	0.388	S	S	.	.	H	α-helix	trans	-82.4	-24.6	-178	-70.7	175.1	0	0	0	113.2	T125 V126 L132 S133	T125-L129 HydrophobicContact CG2-CD1 3.91Å; T125-L129 HydrophobicContact CG2-CG 4.41Å; T125-L129 WeakPolarHBondContact O-CG 3.48Å; T125-L129 PolarHBondContact O-N 2.75Å; V126-L129 PolarHBondContact O-N 2.98Å; L129-L132 PolarHBondContact O-N 3Å; L129-L132 VanDerWaalsContact O-N 3.1Å; L129-S133 WeakPolarHBondContact O-CB 3.37Å; L129-S133 PolarHBondContact O-N 3.01Å; L129-S133 PolarHBondContact O-OG 2.94Å
130	T	67.6	Low	65.7	Low	8 Å²	8	73.7 Å²	73.7	5%	0.049	39%	0.394	C	S	.	.	H	α-helix	trans	-54.4	-50.1	178.3	-64.3	0	0	0	0	113	V126 L132 S133 L134 S139 V142 A143	V126-T130 VanDerWaalsContact O-CB 3.31Å; V126-T130 WeakPolarHBondContact O-CB 3.36Å; V126-T130 PolarHBondContact O-N 3.34Å; V126-T130 PolarHBondContact O-OG1 2.98Å; T130-L132 PolarHBondContact O-N 3.5Å; T130-S133 PolarHBondContact O-N 3.42Å; T130-L134 HydrophobicContact CG2-CD1 4.06Å; T130-L134 WeakPolarHBondContact O-CB 3.48Å; T130-L134 PolarHBondContact O-N 2.83Å; T130-S139 WeakPolarHBondContact CG2-O 3.31Å; T130-V142 HydrophobicContact CG2-CB 4.02Å; T130-V142 HydrophobicContact CG2-CG1 4.25Å; T130-A143 HydrophobicContact CG2-CB 4.05Å
131	P	61.8	Low	65.7	Low	67 Å²	67	82.5 Å²	82.5	44%	0.435	43%	0.427	S	S	.	.	H	α-helix	trans	-70.4	-14.7	177.2	27.3	-35.3	0	0	0	114.7	C127 L128 S139	C127-P131 WeakPolarHBondContact O-CD 3.44Å; L128-P131 WeakPolarHBondContact O-CD 3.37Å; L128-P131 WeakPolarHBondContact O-CG 3.32Å; P131-S139 VanDerWaalsContact CA-OG 3.29Å; P131-S139 WeakPolarHBondContact CA-OG 3.28Å
132	L	67	Low	65.9	Low	145 Å²	145	84.1 Å²	84.1	76%	0.759	44%	0.437	S	S	*	.	H	α-helix	trans	-86.7	-28.4	174.3	-119.5	84.2	0	0	0	112.8	L129 T130	L129-L132 PolarHBondContact O-N 3Å; L129-L132 VanDerWaalsContact O-N 3.1Å; T130-L132 PolarHBondContact O-N 3.5Å
133	S	63.3	Low	65.8	Low	94 Å²	94	79.2 Å²	79.2	66%	0.657	41%	0.414	S	S	*	.	H	α-helix	trans	-109.4	-22.4	-167.7	-45.4	0	0	0	0	113.6	L129 T130	L129-S133 WeakPolarHBondContact O-CB 3.37Å; L129-S133 PolarHBondContact O-N 3.01Å; L129-S133 PolarHBondContact O-OG 2.94Å; T130-S133 PolarHBondContact O-N 3.42Å
134	L	64.8	Low	65.7	Low	78 Å²	78	82.9 Å²	82.9	41%	0.408	43%	0.431	S	S	.	.	S	Bend	trans	-119.3	148.1	-175.3	-76.9	159.2	0	0	0	112.1	T130	T130-L134 HydrophobicContact CG2-CD1 4.06Å; T130-L134 WeakPolarHBondContact O-CB 3.48Å; T130-L134 PolarHBondContact O-N 2.83Å
135	P	66.6	Low	66.1	Low	84 Å²	84	85.8 Å²	85.8	55%	0.545	45%	0.448	S	S	.	.			trans	-53	141.4	170.9	-21.2	30.5	0	0	0	111.4	E137 Y138 S139	P135-E137 PolarHBondContact O-N 3.23Å; P135-Y138 PolarHBondContact O-N 3.38Å; P135-S139 WeakPolarHBondContact O-CB 2.9Å; P135-S139 PolarHBondContact O-N 3.38Å
136	I	60.8	Low	66.1	Low	143 Å²	143	83.4 Å²	83.4	73%	0.733	44%	0.435	S	S	*	.	H	α-helix	trans	-51.2	-30	-175.5	-90.7	158	0	0	0	113.6
137	E	64.4	Low	65.7	Low	154 Å²	154	80.7 Å²	80.7	72%	0.72	42%	0.421	S	S	*	.	H	α-helix	trans	-68.6	-39.1	-179.8	-63.9	175.8	-171.7	0	0	113.2	P135 Y141	P135-E137 PolarHBondContact O-N 3.23Å; E137-Y141 VanDerWaalsContact O-CD2 3.29Å; E137-Y141 WeakPolarHBondContact O-CD2 3.37Å
138	Y	62.3	Low	65.9	Low	158 Å²	158	83.1 Å²	83.1	62%	0.62	44%	0.442	S	S	*	.	H	α-helix	trans	-90.6	-26.5	177.1	-72.8	-84.2	0	0	0	112.6	P135 R140 Y141 V142	P135-Y138 PolarHBondContact O-N 3.38Å; Y138-R140 VanDerWaalsContact C-N 3.3Å; Y138-R140 PolarHBondContact O-N 3Å; Y138-Y141 PolarHBondContact O-N 2.9Å; Y138-V142 PolarHBondContact O-N 3Å
139	S	62.3	Low	66.3	Low	10 Å²	10	85.4 Å²	85.4	7%	0.07	45%	0.454	C	S	.	.	H	α-helix	trans	-57.7	-40.3	-177.3	174	0	0	0	0	112.5	T130 P131 P135 Y141 V142 A143	T130-S139 WeakPolarHBondContact CG2-O 3.31Å; P131-S139 VanDerWaalsContact CA-OG 3.29Å; P131-S139 WeakPolarHBondContact CA-OG 3.28Å; P135-S139 WeakPolarHBondContact O-CB 2.9Å; P135-S139 PolarHBondContact O-N 3.38Å; S139-Y141 PolarHBondContact O-N 2.89Å; S139-V142 PolarHBondContact O-N 3.31Å; S139-A143 WeakPolarHBondContact O-CB 3.43Å; S139-A143 PolarHBondContact O-N 3.04Å
140	R	65.4	Low	66.3	Low	124 Å²	124	81.9 Å²	81.9	47%	0.468	44%	0.437	S	S	.	.	H	α-helix	trans	-64.6	-39.4	178.9	-107.1	170.4	172.6	172.1	-10.4	113.9	Y138 V142 L144	Y138-R140 VanDerWaalsContact C-N 3.3Å; Y138-R140 PolarHBondContact O-N 3Å; R140-V142 VanDerWaalsContact C-N 3.26Å; R140-V142 PolarHBondContact O-N 3.1Å; R140-L144 WeakPolarHBondContact O-CB 2.99Å; R140-L144 WeakPolarHBondContact O-CG 3.47Å; R140-L144 PolarHBondContact O-N 3.29Å
141	Y	66.7	Low	66.2	Low	192 Å²	192	84.6 Å²	84.6	75%	0.753	45%	0.454	S	S	*	.	H	α-helix	trans	-69.4	-24.3	-178.8	-71.9	-78.8	0	0	0	113	E137 Y138 S139 P145	E137-Y141 VanDerWaalsContact O-CD2 3.29Å; E137-Y141 WeakPolarHBondContact O-CD2 3.37Å; Y138-Y141 PolarHBondContact O-N 2.9Å; S139-Y141 PolarHBondContact O-N 2.89Å; Y141-P145 WeakPolarHBondContact O-CD 3.27Å; Y141-P145 WeakPolarHBondContact O-CG 3.31Å
142	V	67.4	Low	66.6	Low	66 Å²	66	83.6 Å²	83.6	40%	0.4	45%	0.451	S	S	.	.	H	α-helix	trans	-98.1	-41.8	178.9	179.7	0	0	0	0	111.3	T130 Y138 S139 R140 P145 A146	T130-V142 HydrophobicContact CG2-CB 4.02Å; T130-V142 HydrophobicContact CG2-CG1 4.25Å; Y138-V142 PolarHBondContact O-N 3Å; S139-V142 PolarHBondContact O-N 3.31Å; R140-V142 VanDerWaalsContact C-N 3.26Å; R140-V142 PolarHBondContact O-N 3.1Å; V142-P145 WeakPolarHBondContact O-CD 3.45Å; V142-A146 WeakPolarHBondContact O-CB 3.47Å; V142-A146 PolarHBondContact O-N 3.23Å
143	A	67.1	Low	66.6	Low	16 Å²	16	77.3 Å²	77.3	13%	0.132	42%	0.419	C	S	.	.	H	α-helix	trans	-69.9	-37.9	-175.6	0	0	0	0	0	113.3	C127 T130 S139 G147	C127-A143 PolarHBondContact SG-O 2.92Å; T130-A143 HydrophobicContact CG2-CB 4.05Å; S139-A143 WeakPolarHBondContact O-CB 3.43Å; S139-A143 PolarHBondContact O-N 3.04Å; A143-G147 PolarHBondContact O-N 2.6Å
144	L	68.4	Low	66.6	Low	93 Å²	93	74.9 Å²	74.9	49%	0.487	41%	0.405	S	S	.	.	H	α-helix	trans	-64.8	-54.1	179.4	-74.2	174.1	0	0	0	113.3	R140 A146 G147 A148 I221	R140-L144 WeakPolarHBondContact O-CB 2.99Å; R140-L144 WeakPolarHBondContact O-CG 3.47Å; R140-L144 PolarHBondContact O-N 3.29Å; L144-A146 PolarHBondContact O-N 3.11Å; L144-G147 PolarHBondContact O-N 3.43Å; L144-A148 WeakPolarHBondContact O-CB 3.42Å; L144-A148 PolarHBondContact O-N 3.28Å; L144-I221 HydrophobicContact CD2-CD1 3.95Å
145	P	72.9	Confident	66.7	Low	74 Å²	74	73.5 Å²	73.5	48%	0.481	40%	0.404	S	S	.	.	H	α-helix	trans	-67	-35.8	177.6	24.6	-32.8	0	0	0	112.3	Y141 V142 A148 L149	Y141-P145 WeakPolarHBondContact O-CD 3.27Å; Y141-P145 WeakPolarHBondContact O-CG 3.31Å; V142-P145 WeakPolarHBondContact O-CD 3.45Å; P145-A148 PolarHBondContact O-N 2.97Å; P145-L149 VanDerWaalsContact O-CB 3.23Å; P145-L149 WeakPolarHBondContact O-CB 3.31Å; P145-L149 PolarHBondContact O-N 3.34Å
146	A	66	Low	66.7	Low	16 Å²	16	73.9 Å²	73.9	13%	0.132	40%	0.401	C	S	.	.	H	α-helix	trans	-64.6	-40.4	175.4	0	0	0	0	0	112.2	C127 V142 L144 S150	C127-A146 HydrophobicContact CB-CB 4.39Å; V142-A146 WeakPolarHBondContact O-CB 3.47Å; V142-A146 PolarHBondContact O-N 3.23Å; L144-A146 PolarHBondContact O-N 3.11Å; A146-S150 WeakPolarHBondContact O-CB 3.45Å; A146-S150 PolarHBondContact O-N 3.38Å
147	G	64.4	Low	66.9	Low	15 Å²	15	68.1 Å²	68.1	16%	0.155	37%	0.371	C	S	.	.	H	α-helix	trans	-67.5	-44.5	174.9	0	0	0	0	0	112.6	A143 L144 L149 S150 V151	A143-G147 PolarHBondContact O-N 2.6Å; L144-G147 PolarHBondContact O-N 3.43Å; G147-L149 PolarHBondContact O-N 3.49Å; G147-S150 WeakPolarHBondContact O-CB 3.39Å; G147-S150 PolarHBondContact O-N 3.26Å; G147-V151 WeakPolarHBondContact O-CG2 3.48Å; G147-V151 PolarHBondContact O-N 3.35Å
148	A	71.1	Confident	66.8	Low	64 Å²	64	61.4 Å²	61.4	53%	0.529	34%	0.343	S	S	.	.	H	α-helix	trans	-62	-43.2	176.2	0	0	0	0	0	111.9	L144 P145 V151 A152	L144-A148 WeakPolarHBondContact O-CB 3.42Å; L144-A148 PolarHBondContact O-N 3.28Å; P145-A148 PolarHBondContact O-N 2.97Å; A148-V151 PolarHBondContact O-N 2.96Å; A148-A152 VanDerWaalsContact O-CB 3.27Å; A148-A152 WeakPolarHBondContact O-CB 3.42Å; A148-A152 PolarHBondContact O-N 2.74Å
149	L	73	Confident	66.9	Low	102 Å²	102	58.9 Å²	58.9	53%	0.534	34%	0.339	S	S	.	.	H	α-helix	trans	-63.9	-41.4	175.4	-175.7	64.6	0	0	0	111.6	P145 G147 A152 C153	P145-L149 VanDerWaalsContact O-CB 3.23Å; P145-L149 WeakPolarHBondContact O-CB 3.31Å; P145-L149 PolarHBondContact O-N 3.34Å; G147-L149 PolarHBondContact O-N 3.49Å; L149-A152 PolarHBondContact O-N 2.88Å; L149-C153 VanDerWaalsContact O-CB 3.31Å; L149-C153 WeakPolarHBondContact O-CB 3.33Å; L149-C153 PolarHBondContact O-N 3.02Å; L149-C153 PolarHBondContact O-SG 3.03Å; L149-C153 VanDerWaalsContact O-SG 3.37Å
150	S	69.4	Low	66.8	Low	17 Å²	17	60.1 Å²	60.1	12%	0.119	35%	0.347	C	S	.	.	H	α-helix	trans	-59.4	-48.1	175.5	-178.7	0	0	0	0	111.9	A120 S123 G124 A146 G147 C153 A154	A120-S150 WeakPolarHBondContact O-CB 3.38Å; A120-S150 PolarHBondContact O-OG 3.42Å; S123-S150 VanDerWaalsContact OG-CA 3.3Å; S123-S150 WeakPolarHBondContact OG-CA 3.39Å; S123-S150 VanDerWaalsContact OG-CB 3.27Å; S123-S150 WeakPolarHBondContact OG-CB 3.44Å; G124-S150 WeakPolarHBondContact CA-OG 3.47Å; G124-S150 PolarHBondContact N-OG 2.64Å; A146-S150 WeakPolarHBondContact O-CB 3.45Å; A146-S150 PolarHBondContact O-N 3.38Å; G147-S150 WeakPolarHBondContact O-CB 3.39Å; G147-S150 PolarHBondContact O-N 3.26Å; S150-C153 PolarHBondContact O-N 2.93Å; S150-A154 VanDerWaalsContact O-CB 3.27Å; S150-A154 WeakPolarHBondContact O-CB 3.15Å; S150-A154 PolarHBondContact O-N 2.88Å
151	V	65.7	Low	66.5	Low	64 Å²	64	55.8 Å²	55.8	39%	0.388	33%	0.331	S	S	.	.	H	α-helix	trans	-66	-43.5	178.2	173.6	0	0	0	0	111.2	G147 A148 A154 A155 L214	G147-V151 WeakPolarHBondContact O-CG2 3.48Å; G147-V151 PolarHBondContact O-N 3.35Å; A148-V151 PolarHBondContact O-N 2.96Å; V151-A154 PolarHBondContact O-N 3.33Å; V151-A155 VanDerWaalsContact O-CB 3.24Å; V151-A155 WeakPolarHBondContact O-CB 3.46Å; V151-A155 PolarHBondContact O-N 3.27Å; V151-L214 HydrophobicContact CG2-CD1 3.46Å; V151-L214 VanDerWaalsContact CG2-CD1 3.46Å; V151-L214 HydrophobicContact CG2-CD2 4.16Å; V151-L214 HydrophobicContact CG2-CG 4.45Å
152	A	70.7	Confident	66.1	Low	46 Å²	46	52.7 Å²	52.7	38%	0.38	32%	0.323	S	S	.	.	H	α-helix	trans	-61.9	-46.4	177.1	0	0	0	0	0	111.4	A148 L149 A154 A155 L156	A148-A152 VanDerWaalsContact O-CB 3.27Å; A148-A152 WeakPolarHBondContact O-CB 3.42Å; A148-A152 PolarHBondContact O-N 2.74Å; L149-A152 PolarHBondContact O-N 2.88Å; A152-A154 PolarHBondContact O-N 3.49Å; A152-A155 PolarHBondContact O-N 2.92Å; A152-L156 VanDerWaalsContact O-CB 3.32Å; A152-L156 WeakPolarHBondContact O-CB 3.44Å; A152-L156 VanDerWaalsContact O-CG 3.24Å; A152-L156 WeakPolarHBondContact O-CG 3.3Å; A152-L156 PolarHBondContact O-N 3.23Å
153	C	65.1	Low	65.4	Low	14 Å²	14	56.2 Å²	56.2	10%	0.095	33%	0.334	C	S	.	.	H	α-helix	trans	-64.5	-38.8	176	-74	0	0	0	0	112.2	L116 A120 L149 S150 Y157	L116-C153 HydrophobicContact CD2-CB 4.44Å; A120-C153 HydrophobicContact CB-CB 3.76Å; L149-C153 VanDerWaalsContact O-CB 3.31Å; L149-C153 WeakPolarHBondContact O-CB 3.33Å; L149-C153 PolarHBondContact O-N 3.02Å; L149-C153 PolarHBondContact O-SG 3.03Å; L149-C153 VanDerWaalsContact O-SG 3.37Å; S150-C153 PolarHBondContact O-N 2.93Å; C153-Y157 WeakPolarHBondContact O-CB 3.49Å; C153-Y157 PolarHBondContact O-N 2.91Å
154	A	64.4	Low	64.7	Low	42 Å²	42	58.1 Å²	58.1	35%	0.347	34%	0.341	S	S	.	.	H	α-helix	trans	-68.1	-39.7	176.1	0	0	0	0	0	112.4	A120 S150 V151 A152 G158	A120-A154 HydrophobicContact CB-CB 4.41Å; S150-A154 VanDerWaalsContact O-CB 3.27Å; S150-A154 WeakPolarHBondContact O-CB 3.15Å; S150-A154 PolarHBondContact O-N 2.88Å; V151-A154 PolarHBondContact O-N 3.33Å; A152-A154 PolarHBondContact O-N 3.49Å; A154-G158 PolarHBondContact O-N 3.47Å
155	A	65.9	Low	64	Low	49 Å²	49	56.8 Å²	56.8	41%	0.405	34%	0.339	S	S	.	.	H	α-helix	trans	-68.6	-44.9	177	0	0	0	0	0	111.6	V151 A152 Y157 G158 I159	V151-A155 VanDerWaalsContact O-CB 3.24Å; V151-A155 WeakPolarHBondContact O-CB 3.46Å; V151-A155 PolarHBondContact O-N 3.27Å; A152-A155 PolarHBondContact O-N 2.92Å; A155-Y157 VanDerWaalsContact C-N 3.33Å; A155-Y157 PolarHBondContact O-N 2.88Å; A155-G158 CarbonylContact O-C 3.41Å; A155-G158 WeakPolarHBondContact O-CA 3.27Å; A155-G158 PolarHBondContact O-N 3.48Å; A155-G158 VanDerWaalsContact O-N 3.12Å; A155-I159 VanDerWaalsContact O-CG1 3.31Å; A155-I159 WeakPolarHBondContact O-CG1 3.44Å; A155-I159 PolarHBondContact O-N 3.23Å
156	L	67.6	Low	63.1	Low	92 Å²	92	54.4 Å²	54.4	48%	0.482	32%	0.324	S	S	.	.	H	α-helix	trans	-61.6	-42.2	174.2	-73.5	169.4	0	0	0	111.2	A152 G158 I159 S160	A152-L156 VanDerWaalsContact O-CB 3.32Å; A152-L156 WeakPolarHBondContact O-CB 3.44Å; A152-L156 VanDerWaalsContact O-CG 3.24Å; A152-L156 WeakPolarHBondContact O-CG 3.3Å; A152-L156 PolarHBondContact O-N 3.23Å; L156-G158 VanDerWaalsContact C-N 3.32Å; L156-G158 PolarHBondContact O-N 3.23Å; L156-I159 PolarHBondContact O-N 3.31Å; L156-S160 VanDerWaalsContact O-CB 3.23Å; L156-S160 WeakPolarHBondContact O-CB 3.27Å; L156-S160 PolarHBondContact O-N 3.45Å; L156-S160 PolarHBondContact O-OG 3.39Å
157	Y	64.5	Low	62.4	Low	23 Å²	23	54.7 Å²	54.7	9%	0.09	32%	0.324	C	S	.	.	H	α-helix	trans	-62.4	-39.8	172.4	-175.2	-96.7	0	0	0	112.2	G113 H117 C153 A155 W161 Q162 C167 K203	G113-Y157 WeakPolarHBondContact O-CD2 3.41Å; G113-Y157 VanDerWaalsContact O-CE2 3.23Å; G113-Y157 WeakPolarHBondContact O-CE2 3.31Å; H117-Y157 HydrophobicContact CB-CD2 4.32Å; H117-Y157 HydrophobicContact CB-CE2 4.1Å; C153-Y157 WeakPolarHBondContact O-CB 3.49Å; C153-Y157 PolarHBondContact O-N 2.91Å; A155-Y157 VanDerWaalsContact C-N 3.33Å; A155-Y157 PolarHBondContact O-N 2.88Å; Y157-W161 HydrophobicContact CD2-CB 3.88Å; Y157-W161 HydrophobicContact CD2-CE3 4.42Å; Y157-W161 HydrophobicContact CD2-CG 4.34Å; Y157-W161 HydrophobicContact CE2-CB 3.78Å; Y157-W161 HydrophobicContact CE2-CG 4.22Å; Y157-W161 HydrophobicContact CG-CB 4.39Å; Y157-W161 CarbonylContact O-C 3.59Å; Y157-W161 WeakPolarHBondContact O-CA 3.3Å; Y157-W161 VanDerWaalsContact O-CB 3.3Å; Y157-W161 WeakPolarHBondContact O-CB 3.35Å; Y157-W161 PolarHBondContact O-N 3.18Å; Y157-Q162 PolarHBondContact O-N 3.5Å; Y157-C167 PolarHBondContact OH-SG 3.46Å; Y157-K203 WeakPolarHBondContact OH-CE 3.45Å; Y157-K203 PolarHBondContact OH-NZ 3.47Å
158	G	62.3	Low	62	Low	13 Å²	13	58.2 Å²	58.2	13%	0.134	34%	0.335	C	S	.	.	H	α-helix	trans	-59	-51.7	174.2	0	0	0	0	0	112.3	A154 A155 L156 Q162	A154-G158 PolarHBondContact O-N 3.47Å; A155-G158 CarbonylContact O-C 3.41Å; A155-G158 WeakPolarHBondContact O-CA 3.27Å; A155-G158 PolarHBondContact O-N 3.48Å; A155-G158 VanDerWaalsContact O-N 3.12Å; L156-G158 VanDerWaalsContact C-N 3.32Å; L156-G158 PolarHBondContact O-N 3.23Å; G158-Q162 WeakPolarHBondContact O-CB 3.17Å; G158-Q162 PolarHBondContact O-N 2.89Å
159	I	63.9	Low	61.3	Low	105 Å²	105	55.6 Å²	55.6	54%	0.538	31%	0.312	S	S	.	.	H	α-helix	trans	-71.1	-44.9	-175.5	-64.2	163.3	0	0	0	111	F14 A155 L156	F14-I159 HydrophobicContact CE2-CG2 3.83Å; F14-I159 HydrophobicContact CZ-CG2 3.76Å; A155-I159 VanDerWaalsContact O-CG1 3.31Å; A155-I159 WeakPolarHBondContact O-CG1 3.44Å; A155-I159 PolarHBondContact O-N 3.23Å; L156-I159 PolarHBondContact O-N 3.31Å
160	S	61.2	Low	60.6	Low	35 Å²	35	53.9 Å²	53.9	25%	0.245	30%	0.301	C	S	.	.	H	α-helix	trans	-88.9	-24.1	-171.1	-57.8	0	0	0	0	114	F14 L156	F14-S160 WeakPolarHBondContact CE1-OG 3.21Å; L156-S160 VanDerWaalsContact O-CB 3.23Å; L156-S160 WeakPolarHBondContact O-CB 3.27Å; L156-S160 PolarHBondContact O-N 3.45Å; L156-S160 PolarHBondContact O-OG 3.39Å
161	W	59.3	Low	60	Low	34 Å²	34	54 Å²	54	13%	0.129	30%	0.301	C	S	.	.	H	α-helix	trans	-131	-8	-170.1	-86	-75.4	0	0	0	114.9	W109 V112 L116 Y157 C167	W109-W161 HydrophobicContact CE3-CZ2 4.43Å; V112-W161 HydrophobicContact CG1-CH2 4.23Å; L116-W161 HydrophobicContact CD1-CE3 4.23Å; L116-W161 HydrophobicContact CD1-CH2 4Å; L116-W161 HydrophobicContact CD1-CZ3 3.54Å; Y157-W161 HydrophobicContact CD2-CB 3.88Å; Y157-W161 HydrophobicContact CD2-CE3 4.42Å; Y157-W161 HydrophobicContact CD2-CG 4.34Å; Y157-W161 HydrophobicContact CE2-CB 3.78Å; Y157-W161 HydrophobicContact CE2-CG 4.22Å; Y157-W161 HydrophobicContact CG-CB 4.39Å; Y157-W161 CarbonylContact O-C 3.59Å; Y157-W161 WeakPolarHBondContact O-CA 3.3Å; Y157-W161 VanDerWaalsContact O-CB 3.3Å; Y157-W161 WeakPolarHBondContact O-CB 3.35Å; Y157-W161 PolarHBondContact O-N 3.18Å; W161-C167 VanDerWaalsContact CB-SG 3.56Å; W161-C167 WeakPolarHBondContact O-CB 3.24Å; W161-C167 PolarHBondContact O-SG 2.92Å
162	Q	58	Low	59.4	Low	126 Å²	126	53.1 Å²	53.1	59%	0.589	29%	0.293	S	S	*	.	S	Bend	trans	-78	-29.7	179.2	-163.1	173.1	11.9	0	0	113	Y157 G158	Y157-Q162 PolarHBondContact O-N 3.5Å; G158-Q162 WeakPolarHBondContact O-CB 3.17Å; G158-Q162 PolarHBondContact O-N 2.89Å
163	F	52.7	Low	58.5	Low	140 Å²	140	57.4 Å²	57.4	61%	0.614	30%	0.3	S	S	*	.	S	Bend	trans	-101	-4.6	-179.3	-61.3	-72.6	0	0	0	113.4	Q7 P165	Q7-F163 VanDerWaalsContact NE2-CD1 3.33Å; F163-P165 WeakPolarHBondContact O-CD 3.48Å
164	D	52.8	Low	57.5	Low	56 Å²	56	60.2 Å²	60.2	30%	0.299	31%	0.314	S	S	.	.			trans	-82.4	120	178.6	-174.3	-2.7	0	0	0	110.8	C166 C167	D164-C166 PolarHBondContact O-N 3.45Å; D164-C166 VanDerWaalsContact OD1-CB 3.27Å; D164-C166 WeakPolarHBondContact OD1-CB 3.23Å; D164-C166 PolarHBondContact OD1-N 3.37Å; D164-C166 PolarHBondContact OD1-SG 2.84Å; D164-C166 WeakPolarHBondContact OD2-CB 3.06Å; D164-C167 WeakPolarHBondContact O-CB 3.32Å; D164-C167 PolarHBondContact O-N 3.41Å; D164-C167 VanDerWaalsContact O-N 3.09Å
165	P	52.9	Low	56.4	Low	66 Å²	66	62.5 Å²	62.5	43%	0.429	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-55.2	-28.1	173.4	-21.7	31.9	0	0	0	113.3	L88 F163 C167 K168 Y169	L88-P165 HydrophobicContact CB-CB 4.25Å; L88-P165 HydrophobicContact CD1-CB 4.42Å; L88-P165 HydrophobicContact CD2-CB 4.42Å; F163-P165 WeakPolarHBondContact O-CD 3.48Å; P165-C167 PolarHBondContact O-N 3.25Å; P165-K168 PolarHBondContact O-N 3.08Å; P165-Y169 WeakPolarHBondContact O-CD2 3.46Å
166	C	54.1	Low	55.1	Low	24 Å²	24	67.5 Å²	67.5	16%	0.162	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-62	-24.4	178.7	-57.3	0	0	0	0	112.5	L88 D164 K168 Y169	L88-C166 VanDerWaalsContact CD1-SG 3.58Å; D164-C166 PolarHBondContact O-N 3.45Å; D164-C166 VanDerWaalsContact OD1-CB 3.27Å; D164-C166 WeakPolarHBondContact OD1-CB 3.23Å; D164-C166 PolarHBondContact OD1-N 3.37Å; D164-C166 PolarHBondContact OD1-SG 2.84Å; D164-C166 WeakPolarHBondContact OD2-CB 3.06Å; C166-K168 PolarHBondContact O-N 3.21Å; C166-K168 VanDerWaalsContact O-N 3.11Å; C166-Y169 PolarHBondContact O-N 3.49Å
167	C	51.2	Low	54	Low	22 Å²	22	69.4 Å²	69.4	15%	0.149	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-72.5	-5.5	-175.1	-140.8	0	0	0	0	114.4	Y157 W161 D164 P165 K203	Y157-C167 PolarHBondContact OH-SG 3.46Å; W161-C167 VanDerWaalsContact CB-SG 3.56Å; W161-C167 WeakPolarHBondContact O-CB 3.24Å; W161-C167 PolarHBondContact O-SG 2.92Å; D164-C167 WeakPolarHBondContact O-CB 3.32Å; D164-C167 PolarHBondContact O-N 3.41Å; D164-C167 VanDerWaalsContact O-N 3.09Å; P165-C167 PolarHBondContact O-N 3.25Å; C167-K203 PolarHBondContact O-NZ 3.04Å; C167-K203 PolarHBondContact SG-NZ 3.42Å
168	K	56.5	Low	53.3	Low	88 Å²	88	69.5 Å²	69.5	38%	0.383	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-93	-6.3	171.9	-63.5	-180	-178.4	173.9	0	113	P165 C166 R197	P165-K168 PolarHBondContact O-N 3.08Å; C166-K168 PolarHBondContact O-N 3.21Å; C166-K168 VanDerWaalsContact O-N 3.11Å; K168-R197 CarbonylContact O-C 3.6Å; K168-R197 PolarHBondContact O-N 2.86Å
169	Y	56.8	Low	52.3	Low	9 Å²	9	73.2 Å²	73.2	4%	0.035	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	130.1	-177.5	-65.2	-95.1	0	0	0	108.8	L88 C92 I95 P165 C166 L194 R196	L88-Y169 HydrophobicContact CD2-CD2 3.51Å; L88-Y169 HydrophobicContact CD2-CE2 3.16Å; L88-Y169 HydrophobicContact CD2-CG 4.35Å; C92-Y169 VanDerWaalsContact O-CE1 3.27Å; C92-Y169 WeakPolarHBondContact O-CE1 3.23Å; C92-Y169 PolarHBondContact O-OH 3.46Å; I95-Y169 HydrophobicContact CD1-CD1 4Å; I95-Y169 HydrophobicContact CD1-CE1 3.52Å; I95-Y169 HydrophobicContact CG1-CD1 4.49Å; I95-Y169 HydrophobicContact CG1-CE1 4.04Å; P165-Y169 WeakPolarHBondContact O-CD2 3.46Å; C166-Y169 PolarHBondContact O-N 3.49Å; Y169-L194 HydrophobicContact CD1-CB 4.4Å; Y169-R196 HydrophobicContact CD1-CB 3.84Å; Y169-R196 HydrophobicContact CD1-CG 4.33Å; Y169-R196 HydrophobicContact CE1-CB 3.57Å; Y169-R196 HydrophobicContact CE1-CG 3.9Å
170	Q	56.5	Low	51.4	Low	67 Å²	67	79.3 Å²	79.3	31%	0.313	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	133.6	175.8	-168.1	169	33.7	0	0	108.2	E172 V195 R197	Q170-E172 PolarHBondContact O-N 3.2Å; Q170-V195 PolarHBondContact N-O 2.84Å; Q170-V195 PolarHBondContact O-N 3.43Å; Q170-R197 HydrophobicContact CB-CB 4.39Å
171	V	57.6	Low	50.9	Low	20 Å²	20	80.7 Å²	80.7	12%	0.121	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	116	176	-168.6	0	0	0	0	107.9	A107 I110 Y173 V192	A107-V171 HydrophobicContact CB-CB 4.26Å; A107-V171 HydrophobicContact CB-CG1 3.77Å; A107-V171 HydrophobicContact CB-CG2 3.58Å; I110-V171 HydrophobicContact CB-CG2 4.02Å; I110-V171 HydrophobicContact CD1-CG2 3.89Å; I110-V171 HydrophobicContact CG2-CG2 4Å; V171-Y173 HydrophobicContact CB-CD2 4.45Å; V171-Y173 HydrophobicContact CB-CE2 4.02Å; V171-Y173 HydrophobicContact CG1-CD2 3.7Å; V171-Y173 HydrophobicContact CG1-CE1 4.2Å; V171-Y173 HydrophobicContact CG1-CE2 3.25Å; V171-Y173 HydrophobicContact CG1-CG 4.36Å; V171-V192 HydrophobicContact CG1-CG1 3.56Å
172	E	53.6	Low	49.9	Very low	45 Å²	45	85 Å²	85	21%	0.21	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	103.2	176.6	-157.7	143.9	-179.6	0	0	107.8	Q170 D174 V193 V195	Q170-E172 PolarHBondContact O-N 3.2Å; E172-D174 HydrophobicContact CG-CB 4.33Å; E172-D174 PolarHBondContact O-N 3.41Å; E172-V193 PolarHBondContact N-O 3.03Å; E172-V195 HydrophobicContact CB-CG2 3.75Å; E172-V195 HydrophobicContact CG-CG2 4.42Å; E172-V195 WeakPolarHBondContact OE2-CG2 3.28Å
173	Y	51.4	Low	49.4	Very low	135 Å²	135	82.3 Å²	82.3	53%	0.529	42%	0.415	S	S	.	.			trans	-82	4.1	178.2	-71.4	-82.6	0	0	0	113	A107 V171 S175 V192	A107-Y173 WeakPolarHBondContact CB-OH 3.25Å; V171-Y173 HydrophobicContact CB-CD2 4.45Å; V171-Y173 HydrophobicContact CB-CE2 4.02Å; V171-Y173 HydrophobicContact CG1-CD2 3.7Å; V171-Y173 HydrophobicContact CG1-CE1 4.2Å; V171-Y173 HydrophobicContact CG1-CE2 3.25Å; V171-Y173 HydrophobicContact CG1-CG 4.36Å; Y173-S175 PolarHBondContact O-N 2.99Å; Y173-S175 VanDerWaalsContact O-N 3.11Å; Y173-V192 HydrophobicContact CE1-CG1 4.39Å; Y173-V192 HydrophobicContact CE1-CG2 4.01Å
174	D	43.4	Very low	49	Very low	73 Å²	73	85 Å²	85	39%	0.39	43%	0.429	S	S	.	.			trans	-85.1	93.8	-168.2	-155.3	-12.5	0	0	0	111.7	E172 Q176 K177 L178	E172-D174 HydrophobicContact CG-CB 4.33Å; E172-D174 PolarHBondContact O-N 3.41Å; D174-Q176 PolarHBondContact O-N 3.38Å; D174-Q176 VanDerWaalsContact O-N 3.11Å; D174-Q176 PolarHBondContact OD1-N 3.49Å; D174-K177 PolarHBondContact O-N 3.25Å; D174-K177 VanDerWaalsContact O-N 3.14Å; D174-L178 PolarHBondContact O-N 3.18Å
175	S	41.8	Very low	48.6	Very low	90 Å²	90	88 Å²	88	63%	0.629	45%	0.449	S	S	*	.	H	α-helix	trans	-56.7	-21.1	176.2	37.2	0	0	0	0	113.5	Y173 S179	Y173-S175 PolarHBondContact O-N 2.99Å; Y173-S175 VanDerWaalsContact O-N 3.11Å; S175-S179 PolarHBondContact O-N 3.38Å
176	Q	39.5	Very low	48.2	Very low	155 Å²	155	86.8 Å²	86.8	72%	0.724	44%	0.439	S	S	*	.	H	α-helix	trans	-78.4	-20.7	178.2	-63	-166.7	3	0	0	114.3	D174 S179	D174-Q176 PolarHBondContact O-N 3.38Å; D174-Q176 VanDerWaalsContact O-N 3.11Å; D174-Q176 PolarHBondContact OD1-N 3.49Å; Q176-S179 PolarHBondContact O-OG 2.94Å
177	K	44.1	Very low	47.8	Very low	132 Å²	132	92.6 Å²	92.6	57%	0.574	47%	0.474	S	S	*	.	H	α-helix	trans	-91.4	-24.8	171.8	-73.8	-158.7	-179.9	168	0	113.1	D174 S179	D174-K177 PolarHBondContact O-N 3.25Å; D174-K177 VanDerWaalsContact O-N 3.14Å; K177-S179 VanDerWaalsContact C-N 3.31Å
178	L	49.2	Very low	47.1	Very low	25 Å²	25	95.9 Å²	95.9	13%	0.131	50%	0.497	C	S	.	.	H	α-helix	trans	-64.3	-33	169.2	-101.2	73.7	0	0	0	112.8	D174 R180 L181 L183 P191 V193	D174-L178 PolarHBondContact O-N 3.18Å; L178-R180 PolarHBondContact O-N 2.87Å; L178-L181 PolarHBondContact O-N 3.45Å; L178-L183 HydrophobicContact CD2-CD2 4.09Å; L178-L183 WeakPolarHBondContact O-CD1 3.41Å; L178-P191 HydrophobicContact CD2-CG 4.05Å; L178-V193 HydrophobicContact CD1-CB 3.9Å; L178-V193 HydrophobicContact CD1-CG1 4.28Å; L178-V193 HydrophobicContact CD1-CG2 3.6Å; L178-V193 HydrophobicContact CD2-CG2 3.51Å; L178-V193 HydrophobicContact CG-CG2 3.86Å
179	S	41.3	Very low	46.4	Very low	90 Å²	90	96.7 Å²	96.7	63%	0.629	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-8.9	-178.3	64.9	0	0	0	0	114.7	S175 Q176 K177	S175-S179 PolarHBondContact O-N 3.38Å; Q176-S179 PolarHBondContact O-OG 2.94Å; K177-S179 VanDerWaalsContact C-N 3.31Å
180	R	45.1	Very low	45.5	Very low	234 Å²	234	101.4 Å²	101.4	88%	0.883	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-8.2	172.4	-73.9	-171.6	161.6	159.1	-1.9	114.1	L178	L178-R180 PolarHBondContact O-N 2.87Å
181	L	50.7	Low	45	Very low	63 Å²	63	99.9 Å²	99.9	33%	0.33	54%	0.54	S	S	.	.	S	Bend	trans	-93.8	151.4	170	-79.3	86.8	0	0	0	109.3	L178 L183	L178-L181 PolarHBondContact O-N 3.45Å; L181-L183 HydrophobicContact CB-CD1 3.66Å; L181-L183 PolarHBondContact O-N 3.38Å
182	P	39.7	Very low	44.7	Very low	125 Å²	125	99.2 Å²	99.2	81%	0.812	54%	0.536	S	S	*	.			trans	-74	71.4	-174.3	31.9	-33.9	0	0	0	110.8	H184	P182-H184 PolarHBondContact O-N 2.88Å; P182-H184 VanDerWaalsContact O-N 3.12Å
183	L	47.2	Very low	44.7	Very low	70 Å²	70	97.3 Å²	97.3	37%	0.366	53%	0.527	S	S	.	.			trans	-82.2	46.7	178	-95.5	82.2	0	0	0	111.8	L178 L181 T185 L186	L178-L183 HydrophobicContact CD2-CD2 4.09Å; L178-L183 WeakPolarHBondContact O-CD1 3.41Å; L181-L183 HydrophobicContact CB-CD1 3.66Å; L181-L183 PolarHBondContact O-N 3.38Å; L183-T185 VanDerWaalsContact C-N 3.26Å; L183-T185 PolarHBondContact O-N 3.49Å; L183-L186 HydrophobicContact CD2-CD1 4.13Å; L183-L186 HydrophobicContact CG-CD1 4.13Å
184	H	44.6	Very low	44.9	Very low	195 Å²	195	91.2 Å²	91.2	90%	0.903	50%	0.504	S	S	*	.	S	Bend	trans	-86.7	9.4	176.2	-111.1	39.4	0	0	0	114.2	P182	P182-H184 PolarHBondContact O-N 2.88Å; P182-H184 VanDerWaalsContact O-N 3.12Å
185	T	44	Very low	45.4	Very low	119 Å²	119	88.8 Å²	88.8	73%	0.73	49%	0.491	S	S	*	.	S	Bend	trans	-127.2	-1.5	-176.1	30.6	0	0	0	0	115.6	L183	L183-T185 VanDerWaalsContact C-N 3.26Å; L183-T185 PolarHBondContact O-N 3.49Å
186	L	43.2	Very low	45.9	Very low	41 Å²	41	86.7 Å²	86.7	22%	0.215	47%	0.47	C	S	.	.			trans	-99.1	108.3	-176	-60.5	-177	0	0	0	112	E98 L183 S188	E98-L186 WeakPolarHBondContact OE1-CD1 3.36Å; E98-L186 WeakPolarHBondContact OE1-CD2 3.36Å; L183-L186 HydrophobicContact CD2-CD1 4.13Å; L183-L186 HydrophobicContact CG-CD1 4.13Å; L186-S188 PolarHBondContact O-N 2.91Å
187	T	45.7	Very low	46.5	Very low	147 Å²	147	85.3 Å²	85.3	90%	0.902	46%	0.458	S	S	*	.			trans	-94.6	69.6	174.1	-52.6	0	0	0	0	108.8
188	S	37.7	Very low	46.7	Very low	90 Å²	90	82.6 Å²	82.6	63%	0.629	45%	0.45	S	S	*	.	S	Bend	trans	-165.3	138.1	161.8	-152.7	0	0	0	0	112.3	L186 T190	L186-S188 PolarHBondContact O-N 2.91Å; S188-T190 PolarHBondContact O-N 3.35Å
189	S	40.9	Very low	46.7	Very low	106 Å²	106	84.3 Å²	84.3	74%	0.741	46%	0.459	S	S	*	.	S	Bend	trans	-66.7	126.1	177	-84.7	0	0	0	0	110.5
190	T	39	Very low	47.1	Very low	108 Å²	108	83.2 Å²	83.2	66%	0.663	45%	0.448	S	S	*	.			trans	67.4	71.3	169.3	66	0	0	0	0	117.2	S188	S188-T190 PolarHBondContact O-N 3.35Å
191	P	46.4	Very low	47.2	Very low	35 Å²	35	79.1 Å²	79.1	23%	0.227	44%	0.439	C	S	.	.			trans	-73.7	140.9	167.4	30.5	-33.4	0	0	0	111.7	V96 L178	V96-P191 HydrophobicContact CG1-CB 4.01Å; L178-P191 HydrophobicContact CD2-CG 4.05Å
192	V	50.4	Low	47.4	Very low	6 Å²	6	85.1 Å²	85.1	4%	0.036	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	119	174.1	178.5	0	0	0	0	108.3	I97 A107 V171 Y173 L194	I97-V192 PolarHBondContact N-O 3.01Å; I97-V192 PolarHBondContact O-N 2.87Å; A107-V192 HydrophobicContact CB-CG1 4.42Å; V171-V192 HydrophobicContact CG1-CG1 3.56Å; Y173-V192 HydrophobicContact CE1-CG1 4.39Å; Y173-V192 HydrophobicContact CE1-CG2 4.01Å; V192-L194 HydrophobicContact CG1-CD1 4.24Å
193	V	52.8	Low	48.1	Very low	5 Å²	5	82.2 Å²	82.2	3%	0.03	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	121.8	180	-179.3	0	0	0	0	110.2	V96 E172 L178 V195	V96-V193 HydrophobicContact CB-CG2 4.49Å; V96-V193 HydrophobicContact CG1-CG2 4.23Å; V96-V193 HydrophobicContact CG2-CG1 4.42Å; V96-V193 HydrophobicContact CG2-CG2 3.99Å; E172-V193 PolarHBondContact N-O 3.03Å; L178-V193 HydrophobicContact CD1-CB 3.9Å; L178-V193 HydrophobicContact CD1-CG1 4.28Å; L178-V193 HydrophobicContact CD1-CG2 3.6Å; L178-V193 HydrophobicContact CD2-CG2 3.51Å; L178-V193 HydrophobicContact CG-CG2 3.86Å; V193-V195 HydrophobicContact CG1-CG2 4.12Å
194	L	55.5	Low	48.3	Very low	7 Å²	7	87.6 Å²	87.6	4%	0.037	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	111.9	170.5	-72.7	91.6	0	0	0	108.3	I95 I97 I110 Y169 V192	I95-L194 HydrophobicContact CB-CB 4.29Å; I95-L194 PolarHBondContact N-O 3.48Å; I95-L194 PolarHBondContact O-N 2.98Å; I97-L194 HydrophobicContact CB-CD1 4.42Å; I97-L194 HydrophobicContact CD1-CD1 3.22Å; I97-L194 HydrophobicContact CG1-CD1 3.66Å; I110-L194 HydrophobicContact CD1-CD2 3.42Å; I110-L194 VanDerWaalsContact CD1-CD2 3.42Å; Y169-L194 HydrophobicContact CD1-CB 4.4Å; V192-L194 HydrophobicContact CG1-CD1 4.24Å
195	V	55.1	Low	48.8	Very low	21 Å²	21	83.5 Å²	83.5	13%	0.127	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	125.7	174.5	-178	0	0	0	0	107.7	Y94 Q170 E172 V193 R197	Y94-V195 HydrophobicContact CD1-CB 4.35Å; Y94-V195 HydrophobicContact CD1-CG1 4.1Å; Y94-V195 HydrophobicContact CD1-CG2 3.88Å; Y94-V195 HydrophobicContact CE1-CB 4.3Å; Y94-V195 HydrophobicContact CE1-CG1 3.65Å; Y94-V195 HydrophobicContact CE1-CG2 3.89Å; Q170-V195 PolarHBondContact N-O 2.84Å; Q170-V195 PolarHBondContact O-N 3.43Å; E172-V195 HydrophobicContact CB-CG2 3.75Å; E172-V195 HydrophobicContact CG-CG2 4.42Å; E172-V195 WeakPolarHBondContact OE2-CG2 3.28Å; V193-V195 HydrophobicContact CG1-CG2 4.12Å; V195-R197 PolarHBondContact O-N 3.37Å
196	R	51	Low	49.6	Very low	46 Å²	46	80.3 Å²	80.3	17%	0.174	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	108.2	171.3	-170.8	178.4	162.7	178.2	1.6	108.5	Q91 K93 Y169 D198	Q91-R196 VanDerWaalsContact CG-NH1 3.32Å; Q91-R196 PolarHBondContact O-NH1 3.37Å; K93-R196 WeakPolarHBondContact O-CB 3.17Å; K93-R196 PolarHBondContact O-N 3.46Å; Y169-R196 HydrophobicContact CD1-CB 3.84Å; Y169-R196 HydrophobicContact CD1-CG 4.33Å; Y169-R196 HydrophobicContact CE1-CB 3.57Å; Y169-R196 HydrophobicContact CE1-CG 3.9Å; R196-D198 IonicContact CZ-OD2 3.34Å; R196-D198 IonicContact NE-OD1 3.69Å; R196-D198 IonicContact NE-OD2 2.93Å; R196-D198 PolarHBondContact NE-OD2 3.49Å; R196-D198 IonicContact NH2-OD1 3.56Å; R196-D198 IonicContact NH2-OD2 3.12Å; R196-D198 PolarHBondContact NH2-OD2 2.97Å; R196-D198 VanDerWaalsContact NH2-OD2 3.12Å
197	R	53.5	Low	50.3	Low	126 Å²	126	82.9 Å²	82.9	48%	0.475	42%	0.422	S	S	.	.			trans	-114.1	96.5	175.6	-151.7	176.5	-171.7	147.9	9.4	106.8	K168 Q170 V195 D199	K168-R197 CarbonylContact O-C 3.6Å; K168-R197 PolarHBondContact O-N 2.86Å; Q170-R197 HydrophobicContact CB-CB 4.39Å; V195-R197 PolarHBondContact O-N 3.37Å; R197-D199 WeakPolarHBondContact CD-OD2 3.13Å; R197-D199 WeakPolarHBondContact CG-OD2 3.3Å; R197-D199 IonicContact NE-OD2 3.66Å; R197-D199 PolarHBondContact O-N 2.81Å
198	D	47	Very low	50.9	Low	76 Å²	76	79.9 Å²	79.9	41%	0.406	40%	0.404	S	S	.	.			trans	-68.8	67	176.3	-82.8	-58.4	0	0	0	110.7	R196 V200	R196-D198 IonicContact CZ-OD2 3.34Å; R196-D198 IonicContact NE-OD1 3.69Å; R196-D198 IonicContact NE-OD2 2.93Å; R196-D198 PolarHBondContact NE-OD2 3.49Å; R196-D198 IonicContact NH2-OD1 3.56Å; R196-D198 IonicContact NH2-OD2 3.12Å; R196-D198 PolarHBondContact NH2-OD2 2.97Å; R196-D198 VanDerWaalsContact NH2-OD2 3.12Å; D198-V200 PolarHBondContact O-N 3.18Å
199	D	50.3	Low	52.1	Low	61 Å²	61	80.9 Å²	80.9	33%	0.326	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	38.1	178.3	-81.3	-39.9	0	0	0	112.2	R197 H201 R202 K203	R197-D199 WeakPolarHBondContact CD-OD2 3.13Å; R197-D199 WeakPolarHBondContact CG-OD2 3.3Å; R197-D199 IonicContact NE-OD2 3.66Å; R197-D199 PolarHBondContact O-N 2.81Å; D199-H201 VanDerWaalsContact C-N 3.25Å; D199-H201 PolarHBondContact O-N 3.41Å; D199-R202 HydrophobicContact CB-CB 4.34Å; D199-R202 PolarHBondContact O-N 2.84Å; D199-K203 PolarHBondContact O-N 3.12Å; D199-K203 VanDerWaalsContact O-N 3.11Å
200	V	49.9	Very low	52.9	Low	66 Å²	66	77.7 Å²	77.7	40%	0.4	38%	0.381	S	S	.	.	H	α-helix	trans	-62.8	-35.4	-179.8	-174.8	0	0	0	0	110.9	D198 R204	D198-V200 PolarHBondContact O-N 3.18Å; V200-R204 WeakPolarHBondContact O-CB 3.29Å; V200-R204 WeakPolarHBondContact O-CG 3.41Å; V200-R204 PolarHBondContact O-N 3.38Å
201	H	46.4	Very low	54.1	Low	149 Å²	149	78 Å²	78	69%	0.69	38%	0.378	S	S	*	.	H	α-helix	trans	-70.6	-38.8	179.1	-64.9	89.5	0	0	0	112.3	D199 R204 L205	D199-H201 VanDerWaalsContact C-N 3.25Å; D199-H201 PolarHBondContact O-N 3.41Å; H201-R204 PolarHBondContact O-N 2.84Å; H201-L205 WeakPolarHBondContact O-CB 3.26Å; H201-L205 VanDerWaalsContact O-CG 3.32Å; H201-L205 WeakPolarHBondContact O-CG 2.91Å; H201-L205 PolarHBondContact O-N 2.87Å
202	R	55.3	Low	55	Low	189 Å²	189	79.4 Å²	79.4	71%	0.713	39%	0.392	S	S	*	.	H	α-helix	trans	-67.7	-43.6	176.5	-109.5	177.3	176.7	-102.1	-0.6	111.5	D199 H206	D199-R202 HydrophobicContact CB-CB 4.34Å; D199-R202 PolarHBondContact O-N 2.84Å; R202-H206 WeakPolarHBondContact O-CB 3.45Å; R202-H206 PolarHBondContact O-N 3.03Å
203	K	55.1	Low	55.3	Low	63 Å²	63	79.9 Å²	79.9	27%	0.274	40%	0.397	S	S	.	.	H	α-helix	trans	-64.8	-39.7	175.7	-72.8	-174.6	-169.4	-176.7	0	112.3	Y157 C167 D199 H206 N207	Y157-K203 WeakPolarHBondContact OH-CE 3.45Å; Y157-K203 PolarHBondContact OH-NZ 3.47Å; C167-K203 PolarHBondContact O-NZ 3.04Å; C167-K203 PolarHBondContact SG-NZ 3.42Å; D199-K203 PolarHBondContact O-N 3.12Å; D199-K203 VanDerWaalsContact O-N 3.11Å; K203-H206 WeakPolarHBondContact O-CB 3.1Å; K203-H206 PolarHBondContact O-N 3.42Å; K203-N207 WeakPolarHBondContact O-CB 3.06Å; K203-N207 PolarHBondContact O-N 3.4Å
204	R	50.4	Low	55.8	Low	183 Å²	183	83 Å²	83	69%	0.691	41%	0.413	S	S	*	.	H	α-helix	trans	-66.3	-46.3	177	-82.1	-175.1	144.6	-171.4	-6.5	112.8	V200 H201 H206 N207 T208	V200-R204 WeakPolarHBondContact O-CB 3.29Å; V200-R204 WeakPolarHBondContact O-CG 3.41Å; V200-R204 PolarHBondContact O-N 3.38Å; H201-R204 PolarHBondContact O-N 2.84Å; R204-H206 PolarHBondContact O-N 3.24Å; R204-N207 PolarHBondContact O-N 2.9Å; R204-T208 PolarHBondContact O-N 2.86Å; R204-T208 PolarHBondContact O-OG1 3.2Å
205	L	56.4	Low	56.3	Low	110 Å²	110	85.5 Å²	85.5	58%	0.576	43%	0.434	S	S	*	.	H	α-helix	trans	-59.6	-40.2	174.7	-74.9	168.9	0	0	0	110.9	H201 T208 I209	H201-L205 WeakPolarHBondContact O-CB 3.26Å; H201-L205 VanDerWaalsContact O-CG 3.32Å; H201-L205 WeakPolarHBondContact O-CG 2.91Å; H201-L205 PolarHBondContact O-N 2.87Å; L205-T208 WeakPolarHBondContact CA-OG1 3.48Å; L205-T208 PolarHBondContact O-N 3.43Å; L205-T208 PolarHBondContact O-OG1 3.11Å; L205-I209 VanDerWaalsContact O-CG1 3.28Å; L205-I209 WeakPolarHBondContact O-CG1 3.35Å; L205-I209 PolarHBondContact O-N 2.89Å
206	H	60.5	Low	56.7	Low	52 Å²	52	90.4 Å²	90.4	24%	0.241	45%	0.452	C	S	.	.	H	α-helix	trans	-62	-46.6	175.5	-137.9	128.6	0	0	0	112.5	H117 V121 R202 K203 R204 T208 I209 A210	H117-H206 AromaticContact CE1-CG 3.48Å; H117-H206 VanDerWaalsContact CE1-CG 3.48Å; H117-H206 AromaticContact CE1-ND1 3.42Å; H117-H206 PolarHBondContact CE1-ND1 3.18Å; H117-H206 AromaticContact NE2-CE1 3.88Å; H117-H206 AromaticContact NE2-CG 3.5Å; H117-H206 AromaticContact NE2-ND1 2.94Å; H117-H206 PolarHBondContact NE2-ND1 3.47Å; V121-H206 WeakPolarHBondContact CB-NE2 3.33Å; V121-H206 VanDerWaalsContact CG1-CE1 3.4Å; V121-H206 WeakPolarHBondContact CG1-CE1 3.31Å; V121-H206 WeakPolarHBondContact CG1-NE2 3.29Å; V121-H206 WeakPolarHBondContact CG2-CD2 3.24Å; V121-H206 WeakPolarHBondContact CG2-CE1 3.44Å; V121-H206 WeakPolarHBondContact CG2-NE2 3.42Å; R202-H206 WeakPolarHBondContact O-CB 3.45Å; R202-H206 PolarHBondContact O-N 3.03Å; K203-H206 WeakPolarHBondContact O-CB 3.1Å; K203-H206 PolarHBondContact O-N 3.42Å; R204-H206 PolarHBondContact O-N 3.24Å; H206-T208 VanDerWaalsContact C-N 3.27Å; H206-T208 PolarHBondContact O-N 2.91Å; H206-I209 PolarHBondContact O-N 3.27Å; H206-A210 VanDerWaalsContact O-CB 3.27Å; H206-A210 WeakPolarHBondContact O-CB 3.38Å; H206-A210 PolarHBondContact O-N 3.17Å
207	N	56.4	Low	57	Low	95 Å²	95	89.6 Å²	89.6	51%	0.508	45%	0.452	S	S	.	.	H	α-helix	trans	-63.8	-37.3	-179.1	-149.3	37.9	0	0	0	110.7	K203 R204 L211	K203-N207 WeakPolarHBondContact O-CB 3.06Å; K203-N207 PolarHBondContact O-N 3.4Å; R204-N207 PolarHBondContact O-N 2.9Å; N207-L211 WeakPolarHBondContact O-CB 3.38Å; N207-L211 PolarHBondContact O-N 2.75Å
208	T	59.1	Low	57.4	Low	84 Å²	84	87.4 Å²	87.4	52%	0.515	45%	0.453	S	S	.	.	H	α-helix	trans	-67.9	-39.9	174.9	51.4	0	0	0	0	113.3	R204 L205 H206 L211 A212	R204-T208 PolarHBondContact O-N 2.86Å; R204-T208 PolarHBondContact O-OG1 3.2Å; L205-T208 WeakPolarHBondContact CA-OG1 3.48Å; L205-T208 PolarHBondContact O-N 3.43Å; L205-T208 PolarHBondContact O-OG1 3.11Å; H206-T208 VanDerWaalsContact C-N 3.27Å; H206-T208 PolarHBondContact O-N 2.91Å; T208-L211 PolarHBondContact O-N 3.1Å; T208-A212 VanDerWaalsContact O-CB 3.3Å; T208-A212 WeakPolarHBondContact O-CB 3.39Å; T208-A212 PolarHBondContact O-N 3.45Å
209	I	61.8	Low	58.3	Low	110 Å²	110	89.9 Å²	89.9	56%	0.564	46%	0.46	S	S	*	.	H	α-helix	trans	-70.6	-42.4	178.9	-67	165.3	0	0	0	110.2	L205 H206 A212 A213	L205-I209 VanDerWaalsContact O-CG1 3.28Å; L205-I209 WeakPolarHBondContact O-CG1 3.35Å; L205-I209 PolarHBondContact O-N 2.89Å; H206-I209 PolarHBondContact O-N 3.27Å; I209-A212 PolarHBondContact O-N 3.47Å; I209-A213 VanDerWaalsContact O-CB 3.28Å; I209-A213 WeakPolarHBondContact O-CB 3.27Å; I209-A213 PolarHBondContact O-N 3.42Å
210	A	59.6	Low	58.9	Low	40 Å²	40	91.4 Å²	91.4	33%	0.331	46%	0.464	S	S	.	.	H	α-helix	trans	-64.9	-39.1	175.1	0	0	0	0	0	111.9	H206 A213 L214	H206-A210 VanDerWaalsContact O-CB 3.27Å; H206-A210 WeakPolarHBondContact O-CB 3.38Å; H206-A210 PolarHBondContact O-N 3.17Å; A210-A213 WeakPolarHBondContact O-CB 3.44Å; A210-A213 PolarHBondContact O-N 2.84Å; A210-L214 VanDerWaalsContact O-CB 3.26Å; A210-L214 WeakPolarHBondContact O-CB 3.49Å; A210-L214 PolarHBondContact O-N 3.19Å
211	L	63.4	Low	59.4	Low	115 Å²	115	92.3 Å²	92.3	60%	0.602	47%	0.466	S	S	*	.	H	α-helix	trans	-68	-40	175.9	-159.5	103.7	0	0	0	111.7	N207 T208 L214 A215	N207-L211 WeakPolarHBondContact O-CB 3.38Å; N207-L211 PolarHBondContact O-N 2.75Å; T208-L211 PolarHBondContact O-N 3.1Å; L211-L214 PolarHBondContact O-N 3.1Å; L211-A215 VanDerWaalsContact O-CB 3.28Å; L211-A215 WeakPolarHBondContact O-CB 3.33Å; L211-A215 PolarHBondContact O-N 3.48Å
212	A	64.5	Low	60.2	Low	63 Å²	63	93.7 Å²	93.7	52%	0.521	47%	0.466	S	S	.	.	H	α-helix	trans	-65.3	-42.4	174.9	0	0	0	0	0	111.6	T208 I209 A215 Y216	T208-A212 VanDerWaalsContact O-CB 3.3Å; T208-A212 WeakPolarHBondContact O-CB 3.39Å; T208-A212 PolarHBondContact O-N 3.45Å; I209-A212 PolarHBondContact O-N 3.47Å; A212-A215 PolarHBondContact O-N 3.03Å; A212-Y216 WeakPolarHBondContact O-CB 3.3Å; A212-Y216 PolarHBondContact O-N 2.86Å
213	A	56.6	Low	60.6	Low	16 Å²	16	88.9 Å²	88.9	13%	0.132	45%	0.452	C	S	.	.	H	α-helix	trans	-58.9	-48.3	173.4	0	0	0	0	0	111.6	L128 I209 A210 Y216 C217	L128-A213 HydrophobicContact CD1-CB 3.32Å; L128-A213 HydrophobicContact CD2-CB 4.18Å; L128-A213 HydrophobicContact CG-CB 3.88Å; I209-A213 VanDerWaalsContact O-CB 3.28Å; I209-A213 WeakPolarHBondContact O-CB 3.27Å; I209-A213 PolarHBondContact O-N 3.42Å; A210-A213 WeakPolarHBondContact O-CB 3.44Å; A210-A213 PolarHBondContact O-N 2.84Å; A213-Y216 PolarHBondContact O-N 3.01Å; A213-C217 PolarHBondContact O-N 3.35Å; A213-C217 PolarHBondContact O-SG 3.16Å; A213-C217 VanDerWaalsContact O-SG 3.35Å
214	L	63	Low	60.8	Low	72 Å²	72	90.2 Å²	90.2	38%	0.377	46%	0.461	S	S	.	.	H	α-helix	trans	-63.9	-46	179.3	-175.9	65.3	0	0	0	111.8	V151 A210 L211 Y216 C217 V218	V151-L214 HydrophobicContact CG2-CD1 3.46Å; V151-L214 VanDerWaalsContact CG2-CD1 3.46Å; V151-L214 HydrophobicContact CG2-CD2 4.16Å; V151-L214 HydrophobicContact CG2-CG 4.45Å; A210-L214 VanDerWaalsContact O-CB 3.26Å; A210-L214 WeakPolarHBondContact O-CB 3.49Å; A210-L214 PolarHBondContact O-N 3.19Å; L211-L214 PolarHBondContact O-N 3.1Å; L214-Y216 VanDerWaalsContact C-N 3.28Å; L214-Y216 PolarHBondContact O-N 3Å; L214-C217 PolarHBondContact O-N 2.9Å; L214-V218 HydrophobicContact CD1-CG2 4.38Å; L214-V218 HydrophobicContact CG-CG2 4.4Å; L214-V218 WeakPolarHBondContact O-CG2 3.28Å; L214-V218 PolarHBondContact O-N 3.4Å
215	A	66.6	Low	61	Low	58 Å²	58	91.2 Å²	91.2	48%	0.479	47%	0.467	S	S	.	.	H	α-helix	trans	-60.8	-38.6	178.1	0	0	0	0	0	111.8	L211 A212 K219	L211-A215 VanDerWaalsContact O-CB 3.28Å; L211-A215 WeakPolarHBondContact O-CB 3.33Å; L211-A215 PolarHBondContact O-N 3.48Å; A212-A215 PolarHBondContact O-N 3.03Å; A215-K219 VanDerWaalsContact O-CB 3.3Å; A215-K219 WeakPolarHBondContact O-CB 3.49Å; A215-K219 PolarHBondContact O-N 2.8Å
216	Y	64.2	Low	61	Low	125 Å²	125	89.9 Å²	89.9	49%	0.49	47%	0.471	S	S	.	.	H	α-helix	trans	-64.7	-45.5	174.4	-175.6	-95.9	0	0	0	112	L128 A212 A213 L214 K219 K220	L128-Y216 HydrophobicContact CD2-CD1 3.89Å; A212-Y216 WeakPolarHBondContact O-CB 3.3Å; A212-Y216 PolarHBondContact O-N 2.86Å; A213-Y216 PolarHBondContact O-N 3.01Å; L214-Y216 VanDerWaalsContact C-N 3.28Å; L214-Y216 PolarHBondContact O-N 3Å; Y216-K219 PolarHBondContact O-N 3.41Å; Y216-K220 HydrophobicContact CE1-CG 4.09Å; Y216-K220 PolarHBondContact O-N 3.37Å
217	C	56.4	Low	60.4	Low	28 Å²	28	95.9 Å²	95.9	19%	0.189	51%	0.511	C	S	.	.	H	α-helix	trans	-62.2	-46	176.4	-70.5	0	0	0	0	112.2	A213 L214 K219 K220 I221	A213-C217 PolarHBondContact O-N 3.35Å; A213-C217 PolarHBondContact O-SG 3.16Å; A213-C217 VanDerWaalsContact O-SG 3.35Å; L214-C217 PolarHBondContact O-N 2.9Å; C217-K219 PolarHBondContact O-N 2.97Å; C217-K220 PolarHBondContact O-N 3.24Å; C217-I221 VanDerWaalsContact O-CG1 3.3Å; C217-I221 WeakPolarHBondContact O-CG1 3.3Å; C217-I221 PolarHBondContact O-N 3.23Å
218	V	62	Low	60.6	Low	80 Å²	80	95.9 Å²	95.9	49%	0.485	51%	0.511	S	S	.	.	H	α-helix	trans	-61.5	-44.8	177.8	170.9	0	0	0	0	110.6	L214 K220 I221 Y222	L214-V218 HydrophobicContact CD1-CG2 4.38Å; L214-V218 HydrophobicContact CG-CG2 4.4Å; L214-V218 WeakPolarHBondContact O-CG2 3.28Å; L214-V218 PolarHBondContact O-N 3.4Å; V218-K220 VanDerWaalsContact C-N 3.33Å; V218-K220 PolarHBondContact O-N 2.96Å; V218-I221 PolarHBondContact O-N 3.48Å; V218-Y222 WeakPolarHBondContact O-CB 3Å; V218-Y222 PolarHBondContact O-N 2.96Å
219	K	66.8	Low	60.6	Low	128 Å²	128	96.5 Å²	96.5	56%	0.557	51%	0.511	S	S	*	.	H	α-helix	trans	-58.6	-45	176	-175.9	-174.4	172.9	-176.2	0	111.5	A215 Y216 C217 Y222 E223	A215-K219 VanDerWaalsContact O-CB 3.3Å; A215-K219 WeakPolarHBondContact O-CB 3.49Å; A215-K219 PolarHBondContact O-N 2.8Å; Y216-K219 PolarHBondContact O-N 3.41Å; C217-K219 PolarHBondContact O-N 2.97Å; K219-Y222 PolarHBondContact O-N 3.27Å; K219-E223 WeakPolarHBondContact CE-OE1 3.41Å; K219-E223 PolarHBondContact O-N 3.42Å
220	K	61.6	Low	60.6	Low	93 Å²	93	95.8 Å²	95.8	40%	0.404	51%	0.508	S	S	.	.	H	α-helix	trans	-67	-35.7	178.9	-82.2	-73.6	166.1	-152.1	0	113.2	Y216 C217 V218 E223 L224	Y216-K220 HydrophobicContact CE1-CG 4.09Å; Y216-K220 PolarHBondContact O-N 3.37Å; C217-K220 PolarHBondContact O-N 3.24Å; V218-K220 VanDerWaalsContact C-N 3.33Å; V218-K220 PolarHBondContact O-N 2.96Å; K220-E223 IonicContact NZ-OE2 2.8Å; K220-E223 PolarHBondContact NZ-OE2 3.16Å; K220-L224 WeakPolarHBondContact O-CB 3.49Å; K220-L224 PolarHBondContact O-N 3.12Å
221	I	60.5	Low	60.6	Low	86 Å²	86	99.1 Å²	99.1	44%	0.441	52%	0.518	S	S	.	.	H	α-helix	trans	-67.4	-40.7	172.8	-69.9	167.1	0	0	0	110.6	L144 C217 V218 L224 Y225	L144-I221 HydrophobicContact CD2-CD1 3.95Å; C217-I221 VanDerWaalsContact O-CG1 3.3Å; C217-I221 WeakPolarHBondContact O-CG1 3.3Å; C217-I221 PolarHBondContact O-N 3.23Å; V218-I221 PolarHBondContact O-N 3.48Å; I221-L224 CarbonylContact O-C 3.52Å; I221-L224 WeakPolarHBondContact O-CA 3.47Å; I221-L224 WeakPolarHBondContact O-CB 3.39Å; I221-L224 PolarHBondContact O-N 3.23Å; I221-L224 VanDerWaalsContact O-N 3.12Å; I221-Y225 PolarHBondContact O-N 3.27Å
222	Y	64.1	Low	60.5	Low	177 Å²	177	98.1 Å²	98.1	69%	0.694	51%	0.513	S	S	*	.	H	α-helix	trans	-65.1	-42.8	178.9	-147	-89	0	0	0	111.9	V218 K219 L224 Y225 A226	V218-Y222 WeakPolarHBondContact O-CB 3Å; V218-Y222 PolarHBondContact O-N 2.96Å; K219-Y222 PolarHBondContact O-N 3.27Å; Y222-L224 PolarHBondContact O-N 3.3Å; Y222-Y225 PolarHBondContact O-N 2.86Å; Y222-Y225 VanDerWaalsContact O-N 3.16Å; Y222-A226 VanDerWaalsContact O-CB 3.31Å; Y222-A226 WeakPolarHBondContact O-CB 3.31Å; Y222-A226 PolarHBondContact O-N 2.95Å
223	E	64	Low	60.2	Low	89 Å²	89	100.4 Å²	100.4	42%	0.416	51%	0.513	S	S	.	.	H	α-helix	trans	-59.1	-33.1	171.6	-77.7	179.1	-177.9	0	0	112.2	K219 K220	K219-E223 WeakPolarHBondContact CE-OE1 3.41Å; K219-E223 PolarHBondContact O-N 3.42Å; K220-E223 IonicContact NZ-OE2 2.8Å; K220-E223 PolarHBondContact NZ-OE2 3.16Å
224	L	58.5	Low	60.4	Low	90 Å²	90	106.4 Å²	106.4	47%	0.471	54%	0.54	S	S	.	.	H	α-helix	trans	-81.7	-17.6	178.3	-103.6	157.6	0	0	0	114.5	K220 I221 Y222	K220-L224 WeakPolarHBondContact O-CB 3.49Å; K220-L224 PolarHBondContact O-N 3.12Å; I221-L224 CarbonylContact O-C 3.52Å; I221-L224 WeakPolarHBondContact O-CA 3.47Å; I221-L224 WeakPolarHBondContact O-CB 3.39Å; I221-L224 PolarHBondContact O-N 3.23Å; I221-L224 VanDerWaalsContact O-N 3.12Å; Y222-L224 PolarHBondContact O-N 3.3Å
225	Y	54.2	Low	60.3	Low	205 Å²	205	109.1 Å²	109.1	80%	0.804	55%	0.552	S	S	*	*	H	α-helix	trans	-97.6	-19.5	177.5	-151.9	-86.2	0	0	0	111.8	I221 Y222 V227	I221-Y225 PolarHBondContact O-N 3.27Å; Y222-Y225 PolarHBondContact O-N 2.86Å; Y222-Y225 VanDerWaalsContact O-N 3.16Å; Y225-V227 VanDerWaalsContact C-N 3.32Å
226	A	56.3	Low	59.7	Low	82 Å²	82	113.3 Å²	113.3	68%	0.678	56%	0.558	S	S	*	*			trans	-87.2	1.7	175.6	0	0	0	0	0	113.8	Y222	Y222-A226 VanDerWaalsContact O-CB 3.31Å; Y222-A226 WeakPolarHBondContact O-CB 3.31Å; Y222-A226 PolarHBondContact O-N 2.95Å
227	V	48.2	Very low	59.3	Low	177 Å²	177	112.3 Å²	112.3	100%	1.073	57%	0.565	S	S	*	*			trans	-99	0	166.3	170.9	0	0	0	0	108.3	Y225	Y225-V227 VanDerWaalsContact C-N 3.32Å

Retrieved 227 of 227 residues in 206.3 ms (Link to these results)

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