A0A3Q0KJX9_SCHMA Loading...

Sulfhydryl oxidase

FAD-dependent sulfhydryl oxidase that catalyzes disulfide bond formation.

AlphaFold DB , UniProt , Accession A0A3Q0KJX9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 168 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	42.4	Very low	39.1	Very low	242 Å²	242	146.2 Å²	146.2	100%	1.192	77%	0.77	S	S	*	*				0	95.9	0	-70.7	174.1	177	0	0	107.9	R3	M1-R3 PolarHBondContact O-N 3.14Å
2	A	33.9	Very low	40.1	Very low	106 Å²	106	147.6 Å²	147.6	88%	0.876	77%	0.769	S	S	*	*			trans	-69.6	119.7	178.3	0	0	0	0	0	108.9	K4	A2-K4 PolarHBondContact O-N 3.35Å; A2-K4 VanDerWaalsContact O-N 3.14Å
3	R	35.6	Very low	41.3	Very low	250 Å²	250	138.8 Å²	138.8	94%	0.943	72%	0.724	S	S	*	*			trans	-66.5	110.6	173.1	-80	-175	174.6	-169.8	-1.3	108.1	M1 G5	M1-R3 PolarHBondContact O-N 3.14Å; R3-G5 PolarHBondContact O-N 2.77Å
4	K	37.6	Very low	42.5	Very low	207 Å²	207	136.6 Å²	136.6	90%	0.9	71%	0.714	S	S	*	*			trans	-53.3	125.2	167.8	-111.7	174.1	173.6	178.4	0	108.1	A2 E6	A2-K4 PolarHBondContact O-N 3.35Å; A2-K4 VanDerWaalsContact O-N 3.14Å; K4-E6 PolarHBondContact O-N 3.4Å
5	G	32.8	Very low	43.6	Very low	73 Å²	73	137.2 Å²	137.2	75%	0.753	72%	0.718	S	S	*	*			trans	-52.5	130.9	179.6	0	0	0	0	0	111.7	R3 R7	R3-G5 PolarHBondContact O-N 2.77Å; G5-R7 PolarHBondContact O-N 3.42Å; G5-R7 VanDerWaalsContact O-N 3.1Å
6	E	33	Very low	45.6	Very low	188 Å²	188	132.3 Å²	132.3	88%	0.879	69%	0.69	S	S	*	*			trans	-60.9	110.1	161.7	-81.5	168.3	133	0	0	107.4	K4 V8	K4-E6 PolarHBondContact O-N 3.4Å; E6-V8 PolarHBondContact O-N 3.49Å
7	R	34.9	Very low	47.9	Very low	249 Å²	249	129.8 Å²	129.8	94%	0.94	68%	0.678	S	S	*	*			trans	-67.7	93.6	164.7	-147.7	179.9	-152.6	174	3.6	105.1	G5 S9	G5-R7 PolarHBondContact O-N 3.42Å; G5-R7 VanDerWaalsContact O-N 3.1Å; R7-S9 PolarHBondContact O-N 3.18Å
8	V	41.9	Very low	50.1	Low	112 Å²	112	126.1 Å²	126.1	68%	0.679	66%	0.658	S	S	*	*			trans	-53.4	114.7	166.9	-178.5	0	0	0	0	105	E6 A10	E6-V8 PolarHBondContact O-N 3.49Å; V8-A10 PolarHBondContact O-N 2.78Å
9	S	40.1	Very low	52	Low	94 Å²	94	126.8 Å²	126.8	66%	0.657	65%	0.652	S	S	*	*			trans	-59.8	114.8	169.5	56.9	0	0	0	0	105.6	R7 N11	R7-S9 PolarHBondContact O-N 3.18Å; S9-N11 PolarHBondContact O-N 3.31Å; S9-N11 VanDerWaalsContact O-N 3.1Å
10	A	43.1	Very low	53.6	Low	64 Å²	64	123.6 Å²	123.6	53%	0.529	64%	0.636	S	S	.	*			trans	-47.1	122.7	165.4	0	0	0	0	0	106.3	V8	V8-A10 PolarHBondContact O-N 2.78Å
11	N	54.3	Low	54.9	Low	23 Å²	23	118.5 Å²	118.5	12%	0.123	61%	0.611	C	S	.	*			trans	-63	143.2	176	-75.2	-54.7	0	0	0	106.4	S9 D13 D14 H77	S9-N11 PolarHBondContact O-N 3.31Å; S9-N11 VanDerWaalsContact O-N 3.1Å; N11-D13 HydrophobicContact CB-CB 4.48Å; N11-D13 PolarHBondContact O-N 3.13Å; N11-D14 PolarHBondContact N-OD2 3.48Å; N11-D14 WeakPolarHBondContact O-CB 3.4Å; N11-D14 PolarHBondContact O-N 3.22Å; N11-H77 PolarHBondContact OD1-O 3.44Å
12	E	51.9	Low	56.8	Low	163 Å²	163	112.7 Å²	112.7	76%	0.762	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.6	-19.4	176	-64.4	176.6	157.9	0	0	112	D14	E12-D14 VanDerWaalsContact C-N 3.34Å
13	D	55.9	Low	59.1	Low	34 Å²	34	108.8 Å²	108.8	18%	0.182	55%	0.545	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-22.5	170.3	-70.1	-57.1	0	0	0	113.3	N11 I76 R120	N11-D13 HydrophobicContact CB-CB 4.48Å; N11-D13 PolarHBondContact O-N 3.13Å; D13-I76 PolarHBondContact OD2-N 2.82Å; D13-R120 IonicContact OD1-CZ 3.01Å; D13-R120 IonicContact OD1-NH1 2.62Å; D13-R120 IonicContact OD1-NH2 2.63Å; D13-R120 PolarHBondContact OD1-NH2 3.24Å; D13-R120 IonicContact OD2-NH2 3.93Å; D13-R120 PolarHBondContact OD2-NH2 2.89Å
14	D	57.1	Low	61.1	Low	108 Å²	108	105.2 Å²	105.2	58%	0.578	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-21.4	-171	-67.1	-35.5	0	0	0	113.4	N11 E12	N11-D14 PolarHBondContact N-OD2 3.48Å; N11-D14 WeakPolarHBondContact O-CB 3.4Å; N11-D14 PolarHBondContact O-N 3.22Å; E12-D14 VanDerWaalsContact C-N 3.34Å
15	D	59.9	Low	63.2	Low	145 Å²	145	95.6 Å²	95.6	78%	0.775	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	-3.2	179.5	-72.6	-36.7	0	0	0	113.1
16	E	76.1	Confident	65.7	Low	58 Å²	58	93 Å²	93	27%	0.271	47%	0.465	S	S	.	.	S	Bend	trans	-89.1	132.3	-177.6	-68	-172.1	159	0	0	111.3	I18 K24 G25	E16-I18 PolarHBondContact O-N 3.22Å; E16-K24 WeakPolarHBondContact OE1-CB 3.39Å; E16-K24 WeakPolarHBondContact OE2-CB 3.17Å; E16-G25 WeakPolarHBondContact OE2-CA 3.47Å; E16-G25 PolarHBondContact OE2-N 3.04Å
17	D	84.1	Confident	68.4	Low	90 Å²	90	84.5 Å²	84.5	48%	0.481	43%	0.426	S	S	.	.			trans	-66.5	108.8	178.3	-174.6	-13.4	0	0	0	110	Y19 D20 S23	D17-Y19 PolarHBondContact O-N 3.45Å; D17-Y19 WeakPolarHBondContact OD1-CB 3.27Å; D17-Y19 PolarHBondContact OD1-N 3.09Å; D17-D20 HydrophobicContact CB-CB 3.99Å; D17-D20 PolarHBondContact O-N 3.11Å; D17-D20 PolarHBondContact OD1-N 3.02Å; D17-S23 PolarHBondContact N-OG 3.1Å; D17-S23 WeakPolarHBondContact O-CB 3.4Å; D17-S23 PolarHBondContact O-OG 3.36Å
18	I	88.1	Confident	70.9	Confident	63 Å²	63	75.3 Å²	75.3	32%	0.323	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-13.3	-177.2	68.4	171.8	0	0	0	113.3	E16 F26 C27	E16-I18 PolarHBondContact O-N 3.22Å; I18-F26 WeakPolarHBondContact O-CD2 3.04Å; I18-C27 HydrophobicContact CB-CB 4.07Å; I18-C27 PolarHBondContact O-N 2.98Å
19	Y	86.1	Confident	73.2	Confident	141 Å²	141	73.1 Å²	73.1	55%	0.553	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.1	-15.8	-178.6	-60.2	-74	0	0	0	113.1	D17 P21 C30 V31	D17-Y19 PolarHBondContact O-N 3.45Å; D17-Y19 WeakPolarHBondContact OD1-CB 3.27Å; D17-Y19 PolarHBondContact OD1-N 3.09Å; Y19-P21 WeakPolarHBondContact O-CD 3.47Å; Y19-C30 HydrophobicContact CE1-CB 4.19Å; Y19-V31 HydrophobicContact CD1-CG1 4.06Å
20	D	83.8	Confident	75.6	Confident	62 Å²	62	71.5 Å²	71.5	33%	0.332	37%	0.373	S	S	.	.			trans	-82.4	115.6	175.9	178.9	3.1	0	0	0	111.1	D17 K22 S23 F26	D17-D20 HydrophobicContact CB-CB 3.99Å; D17-D20 PolarHBondContact O-N 3.11Å; D17-D20 PolarHBondContact OD1-N 3.02Å; D20-K22 PolarHBondContact O-N 3.43Å; D20-K22 WeakPolarHBondContact OD1-CB 3.25Å; D20-K22 PolarHBondContact OD1-N 3.05Å; D20-S23 VanDerWaalsContact O-CB 3.23Å; D20-S23 WeakPolarHBondContact O-CB 3.4Å; D20-S23 PolarHBondContact O-N 3.41Å; D20-F26 WeakPolarHBondContact O-CB 3.17Å; D20-F26 VanDerWaalsContact O-CD2 3.24Å; D20-F26 WeakPolarHBondContact O-CD2 3.03Å
21	P	81.3	Confident	77.6	Confident	17 Å²	17	69.9 Å²	69.9	11%	0.11	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-22.8	175.1	-28.8	38.4	0	0	0	116.1	Y19 F26 F36 L164 Q167	Y19-P21 WeakPolarHBondContact O-CD 3.47Å; P21-F26 HydrophobicContact CG-CD2 4.5Å; P21-F26 HydrophobicContact CG-CE2 4.1Å; P21-F26 HydrophobicContact CG-CZ 4.49Å; P21-F36 HydrophobicContact CG-CD1 4.29Å; P21-F36 HydrophobicContact CG-CE1 3.67Å; P21-F36 HydrophobicContact CG-CZ 4.41Å; P21-L164 HydrophobicContact CB-CB 3.73Å; P21-L164 HydrophobicContact CB-CD1 3.75Å; P21-L164 HydrophobicContact CB-CG 4.34Å; P21-L164 HydrophobicContact CG-CB 4.38Å; P21-L164 HydrophobicContact CG-CD1 4.39Å; P21-Q167 PolarHBondContact O-NE2 2.69Å
22	K	80.5	Confident	79.1	Confident	120 Å²	120	72.4 Å²	72.4	52%	0.522	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-16.2	178.6	-63.3	-179.7	-176.3	169.4	0	113.3	D20 E166	D20-K22 PolarHBondContact O-N 3.43Å; D20-K22 WeakPolarHBondContact OD1-CB 3.25Å; D20-K22 PolarHBondContact OD1-N 3.05Å; K22-E166 HydrophobicContact CD-CB 4.5Å; K22-E166 VanDerWaalsContact CE-O 3.28Å; K22-E166 WeakPolarHBondContact CE-O 3.28Å; K22-E166 WeakPolarHBondContact CE-OE2 3.4Å; K22-E166 IonicContact NZ-OE2 3.07Å; K22-E166 PolarHBondContact NZ-OE2 2.64Å
23	S	83.6	Confident	80.3	Confident	23 Å²	23	66.1 Å²	66.1	16%	0.161	34%	0.341	C	S	.	.	S	Bend	trans	-70.2	140.3	178.6	179.3	0	0	0	0	110.9	D17 D20 G25 F26	D17-S23 PolarHBondContact N-OG 3.1Å; D17-S23 WeakPolarHBondContact O-CB 3.4Å; D17-S23 PolarHBondContact O-OG 3.36Å; D20-S23 VanDerWaalsContact O-CB 3.23Å; D20-S23 WeakPolarHBondContact O-CB 3.4Å; D20-S23 PolarHBondContact O-N 3.41Å; S23-G25 PolarHBondContact O-N 3.19Å; S23-G25 PolarHBondContact OG-N 3.1Å; S23-F26 VanDerWaalsContact O-CB 3.25Å; S23-F26 WeakPolarHBondContact O-CB 3.37Å; S23-F26 PolarHBondContact O-N 2.04Å; S23-F26 VanDerWaalsContact O-N 3.09Å
24	K	76.9	Confident	81.2	Confident	175 Å²	175	68.8 Å²	68.8	76%	0.761	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-23.7	171.5	-70.3	177.8	-179	175.4	0	111.9	E16 F26	E16-K24 WeakPolarHBondContact OE1-CB 3.39Å; E16-K24 WeakPolarHBondContact OE2-CB 3.17Å; K24-F26 VanDerWaalsContact C-N 3.3Å
25	G	81.7	Confident	82	Confident	6 Å²	6	71.8 Å²	71.8	6%	0.062	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-1.4	179	0	0	0	0	0	113	E16 S23 C27	E16-G25 WeakPolarHBondContact OE2-CA 3.47Å; E16-G25 PolarHBondContact OE2-N 3.04Å; S23-G25 PolarHBondContact O-N 3.19Å; S23-G25 PolarHBondContact OG-N 3.1Å; G25-C27 PolarHBondContact O-N 3.21Å
26	F	86.2	Confident	82.4	Confident	19 Å²	19	68 Å²	68	8%	0.083	35%	0.347	C	S	.	.			trans	-50	125.4	-175.3	179.4	-107.4	0	0	0	112.2	I18 D20 P21 S23 K24 R28 V31 L164	I18-F26 WeakPolarHBondContact O-CD2 3.04Å; D20-F26 WeakPolarHBondContact O-CB 3.17Å; D20-F26 VanDerWaalsContact O-CD2 3.24Å; D20-F26 WeakPolarHBondContact O-CD2 3.03Å; P21-F26 HydrophobicContact CG-CD2 4.5Å; P21-F26 HydrophobicContact CG-CE2 4.1Å; P21-F26 HydrophobicContact CG-CZ 4.49Å; S23-F26 VanDerWaalsContact O-CB 3.25Å; S23-F26 WeakPolarHBondContact O-CB 3.37Å; S23-F26 PolarHBondContact O-N 2.04Å; S23-F26 VanDerWaalsContact O-N 3.09Å; K24-F26 VanDerWaalsContact C-N 3.3Å; F26-R28 HydrophobicContact CD1-CB 4.41Å; F26-R28 VanDerWaalsContact CE1-CA 3.46Å; F26-R28 HydrophobicContact CE1-CB 3.74Å; F26-R28 HydrophobicContact CE1-CG 4.27Å; F26-V31 HydrophobicContact CE2-CG1 4.04Å; F26-V31 HydrophobicContact CE2-CG2 4.29Å; F26-V31 HydrophobicContact CZ-CG1 4.29Å; F26-V31 HydrophobicContact CZ-CG2 3.68Å; F26-L164 HydrophobicContact CD1-CD1 3.47Å; F26-L164 VanDerWaalsContact CD1-CD1 3.47Å; F26-L164 HydrophobicContact CE1-CD1 3.05Å; F26-L164 HydrophobicContact CE1-CD2 4.39Å; F26-L164 HydrophobicContact CE1-CG 4.32Å; F26-L164 HydrophobicContact CE2-CD1 4.44Å; F26-L164 HydrophobicContact CG-CD1 4.34Å; F26-L164 HydrophobicContact CZ-CD1 3.58Å; F26-L164 HydrophobicContact CZ-CD2 4.44Å
27	C	88.4	Confident	81.5	Confident	9 Å²	9	68.5 Å²	68.5	6%	0.061	37%	0.368	C	S	.	.			trans	-105.5	92.8	-179.9	176.5	0	0	0	0	110.1	I18 G25 A29 C30 Y73	I18-C27 HydrophobicContact CB-CB 4.07Å; I18-C27 PolarHBondContact O-N 2.98Å; G25-C27 PolarHBondContact O-N 3.21Å; C27-A29 PolarHBondContact O-N 3.16Å; C27-A29 VanDerWaalsContact O-N 3.11Å; C27-C30 HydrophobicContact CB-CB 3.59Å; C27-C30 WeakPolarHBondContact CB-SG 3.43Å; C27-C30 WeakPolarHBondContact O-CB 3.43Å; C27-C30 PolarHBondContact O-N 3.45Å; C27-C30 WeakPolarHBondContact SG-CB 3.5Å; C27-C30 PolarHBondContact SG-N 3.34Å; C27-C30 CovalentContact SG-SG 2.05Å; C27-C30 PolarHBondContact SG-SG 3.47Å; C27-Y73 WeakPolarHBondContact CA-OH 3.42Å; C27-Y73 HydrophobicContact CB-CE1 3.8Å
28	R	89	Confident	79.9	Confident	56 Å²	56	68.7 Å²	68.7	21%	0.211	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-55.1	-29.6	172.2	-165.7	-179.6	-176.8	106.5	1.9	112.7	F26 C30 L33 Y73 C162	F26-R28 HydrophobicContact CD1-CB 4.41Å; F26-R28 VanDerWaalsContact CE1-CA 3.46Å; F26-R28 HydrophobicContact CE1-CB 3.74Å; F26-R28 HydrophobicContact CE1-CG 4.27Å; R28-C30 VanDerWaalsContact C-N 3.27Å; R28-C30 PolarHBondContact O-N 2.94Å; R28-L33 HydrophobicContact CG-CD1 4.09Å; R28-L33 HydrophobicContact CG-CD2 4.27Å; R28-Y73 PolarHBondContact N-OH 3.39Å; R28-C162 PolarHBondContact NH1-O 3.16Å
29	A	90	Very high	78	Confident	66 Å²	66	69.5 Å²	69.5	55%	0.545	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-76.7	-11.3	177	0	0	0	0	0	113.9	C27 T69 Y73	C27-A29 PolarHBondContact O-N 3.16Å; C27-A29 VanDerWaalsContact O-N 3.11Å; A29-T69 HydrophobicContact CB-CG2 4.12Å; A29-Y73 HydrophobicContact CB-CD2 4.48Å; A29-Y73 HydrophobicContact CB-CE2 3.94Å
30	C	89	Confident	76	Confident	59 Å²	59	72.8 Å²	72.8	40%	0.399	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-98	-3.3	-177.9	-58	0	0	0	0	112.4	Y19 C27 R28	Y19-C30 HydrophobicContact CE1-CB 4.19Å; C27-C30 HydrophobicContact CB-CB 3.59Å; C27-C30 WeakPolarHBondContact CB-SG 3.43Å; C27-C30 WeakPolarHBondContact O-CB 3.43Å; C27-C30 PolarHBondContact O-N 3.45Å; C27-C30 WeakPolarHBondContact SG-CB 3.5Å; C27-C30 PolarHBondContact SG-N 3.34Å; C27-C30 CovalentContact SG-SG 2.05Å; C27-C30 PolarHBondContact SG-SG 3.47Å; R28-C30 VanDerWaalsContact C-N 3.27Å; R28-C30 PolarHBondContact O-N 2.94Å
31	V	86.6	Confident	74.3	Confident	30 Å²	30	73.7 Å²	73.7	18%	0.182	41%	0.406	C	S	.	.	S	Bend	trans	-122.4	153.7	-176	-62.3	0	0	0	0	113.2	Y19 F26 L33 F36	Y19-V31 HydrophobicContact CD1-CG1 4.06Å; F26-V31 HydrophobicContact CE2-CG1 4.04Å; F26-V31 HydrophobicContact CE2-CG2 4.29Å; F26-V31 HydrophobicContact CZ-CG1 4.29Å; F26-V31 HydrophobicContact CZ-CG2 3.68Å; V31-L33 HydrophobicContact CG2-CD2 3.91Å; V31-L33 HydrophobicContact CG2-CG 4.39Å; V31-F36 HydrophobicContact CB-CE2 3.7Å; V31-F36 HydrophobicContact CB-CZ 4.37Å; V31-F36 HydrophobicContact CG1-CE2 3.98Å; V31-F36 HydrophobicContact CG1-CZ 4.16Å; V31-F36 HydrophobicContact CG2-CE2 3.97Å
32	D	84.3	Confident	72.7	Confident	77 Å²	77	82 Å²	82	41%	0.412	44%	0.44	S	S	.	.			trans	-91.6	101.9	167.1	-178.9	-4.1	0	0	0	109.5	S34 K35	D32-S34 PolarHBondContact O-N 3.42Å; D32-S34 VanDerWaalsContact O-N 3.16Å; D32-S34 VanDerWaalsContact OD1-CB 3.28Å; D32-S34 WeakPolarHBondContact OD1-CB 3.4Å; D32-S34 PolarHBondContact OD1-N 3.32Å; D32-S34 PolarHBondContact OD1-OG 3.47Å; D32-S34 PolarHBondContact OD2-OG 2.94Å; D32-K35 HydrophobicContact CB-CD 4.06Å; D32-K35 HydrophobicContact CB-CG 4.07Å; D32-K35 WeakPolarHBondContact O-CB 3.4Å; D32-K35 PolarHBondContact O-N 3.15Å; D32-K35 WeakPolarHBondContact OD2-CE 3.49Å
33	L	78.7	Confident	71.1	Confident	31 Å²	31	84.9 Å²	84.9	16%	0.162	46%	0.456	C	S	.	.	G	3₁₀ helix	trans	-61.6	-22.2	-178.7	-65.2	172.7	0	0	0	113.5	R28 V31 K35 F36 L39 L164	R28-L33 HydrophobicContact CG-CD1 4.09Å; R28-L33 HydrophobicContact CG-CD2 4.27Å; V31-L33 HydrophobicContact CG2-CD2 3.91Å; V31-L33 HydrophobicContact CG2-CG 4.39Å; L33-K35 PolarHBondContact O-N 3Å; L33-F36 PolarHBondContact O-N 3.35Å; L33-F36 VanDerWaalsContact O-N 3.13Å; L33-L39 HydrophobicContact CB-CD1 4.39Å; L33-L39 HydrophobicContact CD1-CD1 3.81Å; L33-L164 HydrophobicContact CD2-CD2 3.63Å
34	S	74.2	Confident	69.4	Low	89 Å²	89	92.1 Å²	92.1	62%	0.622	49%	0.489	S	S	*	.	G	3₁₀ helix	trans	-63.2	-27.8	174.9	73.9	0	0	0	0	111.6	D32	D32-S34 PolarHBondContact O-N 3.42Å; D32-S34 VanDerWaalsContact O-N 3.16Å; D32-S34 VanDerWaalsContact OD1-CB 3.28Å; D32-S34 WeakPolarHBondContact OD1-CB 3.4Å; D32-S34 PolarHBondContact OD1-N 3.32Å; D32-S34 PolarHBondContact OD1-OG 3.47Å; D32-S34 PolarHBondContact OD2-OG 2.94Å
35	K	73.7	Confident	68	Low	172 Å²	172	90.2 Å²	90.2	75%	0.748	49%	0.492	S	S	*	.	G	3₁₀ helix	trans	-78	-19.1	177.1	-59.7	-175.7	-177.4	177.8	0	113.6	D32 L33 G37	D32-K35 HydrophobicContact CB-CD 4.06Å; D32-K35 HydrophobicContact CB-CG 4.07Å; D32-K35 WeakPolarHBondContact O-CB 3.4Å; D32-K35 PolarHBondContact O-N 3.15Å; D32-K35 WeakPolarHBondContact OD2-CE 3.49Å; L33-K35 PolarHBondContact O-N 3Å; K35-G37 PolarHBondContact O-N 2.92Å
36	F	68.3	Low	66.5	Low	64 Å²	64	94.9 Å²	94.9	28%	0.281	52%	0.524	S	S	.	.	G	3₁₀ helix	trans	-79.7	1	176.4	-76.3	-92.5	0	0	0	112.9	P21 V31 L33 L38 P165	P21-F36 HydrophobicContact CG-CD1 4.29Å; P21-F36 HydrophobicContact CG-CE1 3.67Å; P21-F36 HydrophobicContact CG-CZ 4.41Å; V31-F36 HydrophobicContact CB-CE2 3.7Å; V31-F36 HydrophobicContact CB-CZ 4.37Å; V31-F36 HydrophobicContact CG1-CE2 3.98Å; V31-F36 HydrophobicContact CG1-CZ 4.16Å; V31-F36 HydrophobicContact CG2-CE2 3.97Å; L33-F36 PolarHBondContact O-N 3.35Å; L33-F36 VanDerWaalsContact O-N 3.13Å; F36-L38 PolarHBondContact O-N 3.5Å; F36-P165 HydrophobicContact CB-CG 4.43Å; F36-P165 HydrophobicContact CD1-CG 4.15Å
37	G	56.1	Low	65	Low	69 Å²	69	102.6 Å²	102.6	71%	0.711	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	65.1	1	179.8	0	0	0	0	0	114.7	K35	K35-G37 PolarHBondContact O-N 2.92Å
38	L	51.2	Low	63.3	Low	94 Å²	94	108.1 Å²	108.1	49%	0.492	59%	0.593	S	S	.	*			trans	-136.4	57.6	-165.1	-83	159.5	0	0	0	111.2	F36 P165	F36-L38 PolarHBondContact O-N 3.5Å; L38-P165 HydrophobicContact CB-CG 4.48Å; L38-P165 HydrophobicContact CD1-CB 3.41Å; L38-P165 VanDerWaalsContact CD1-CB 3.41Å; L38-P165 HydrophobicContact CD1-CG 3.55Å
39	L	49.2	Very low	61.9	Low	80 Å²	80	109.9 Å²	109.9	42%	0.419	61%	0.614	S	S	.	*			trans	-150	108.3	133.8	-75.6	-176.3	0	0	0	103.7	L33 A41	L33-L39 HydrophobicContact CB-CD1 4.39Å; L33-L39 HydrophobicContact CD1-CD1 3.81Å; L39-A41 PolarHBondContact O-N 3.19Å
40	K	43.7	Very low	60.8	Low	211 Å²	211	113.8 Å²	113.8	92%	0.917	62%	0.624	S	S	*	*			trans	-60.7	89.6	150.1	-87.8	-173.3	176.3	179.9	0	104.1	K42	K40-K42 PolarHBondContact O-N 2.94Å
41	A	48.3	Very low	60.5	Low	81 Å²	81	119.8 Å²	119.8	67%	0.669	65%	0.646	S	S	*	*			trans	-51.3	104.9	157.3	0	0	0	0	0	102.7	L39 E43	L39-A41 PolarHBondContact O-N 3.19Å; A41-E43 VanDerWaalsContact C-N 3.35Å; A41-E43 WeakPolarHBondContact O-CA 3.32Å; A41-E43 PolarHBondContact O-N 3.16Å
42	K	47.7	Very low	60.6	Low	190 Å²	190	122.5 Å²	122.5	83%	0.826	67%	0.665	S	S	*	*			trans	-44.1	108.7	178	-168.8	-177.8	-165.1	177.1	0	104.2	K40 M44	K40-K42 PolarHBondContact O-N 2.94Å; K42-M44 VanDerWaalsContact C-N 3.27Å; K42-M44 WeakPolarHBondContact O-CG 3.24Å; K42-M44 PolarHBondContact O-N 2.79Å
43	E	45.9	Very low	61	Low	181 Å²	181	124.4 Å²	124.4	85%	0.846	68%	0.682	S	S	*	*			trans	-44.3	101.1	-165.9	-82.6	-179.1	154.2	0	0	106.8	A41 V45	A41-E43 VanDerWaalsContact C-N 3.35Å; A41-E43 WeakPolarHBondContact O-CA 3.32Å; A41-E43 PolarHBondContact O-N 3.16Å; E43-V45 PolarHBondContact O-N 3.31Å
44	M	47.5	Very low	61.7	Low	176 Å²	176	126.4 Å²	126.4	87%	0.867	70%	0.697	S	S	*	*			trans	-76.3	95.4	177.2	-76.3	-159.2	170.3	0	0	100.9	K42 S46	K42-M44 VanDerWaalsContact C-N 3.27Å; K42-M44 WeakPolarHBondContact O-CG 3.24Å; K42-M44 PolarHBondContact O-N 2.79Å; M44-S46 PolarHBondContact O-N 2.89Å
45	V	47.6	Very low	62.7	Low	134 Å²	134	126.7 Å²	126.7	81%	0.812	69%	0.692	S	S	*	*			trans	-49.6	97.2	168.8	177.6	0	0	0	0	104.9	E43 K47	E43-V45 PolarHBondContact O-N 3.31Å; V45-K47 PolarHBondContact O-N 3.34Å
46	S	51.1	Low	63.7	Low	104 Å²	104	125.3 Å²	125.3	73%	0.727	69%	0.686	S	S	*	*			trans	-71	104.2	-179.7	52.3	0	0	0	0	104.4	M44	M44-S46 PolarHBondContact O-N 2.89Å
47	K	54.8	Low	65	Low	181 Å²	181	127.4 Å²	127.4	79%	0.787	70%	0.699	S	S	*	*			trans	-51.8	134.5	157.8	-110.4	-179.5	175.2	179.5	0	105.9	V45 S49	V45-K47 PolarHBondContact O-N 3.34Å; K47-S49 PolarHBondContact O-N 3.1Å
48	P	52.5	Low	66.9	Low	126 Å²	126	129.5 Å²	129.5	82%	0.818	69%	0.69	S	S	*	*			trans	-56.6	107.9	177.1	21.2	-28.7	0	0	0	107.1	I50	P48-I50 PolarHBondContact O-N 3Å
49	S	60.5	Low	69.1	Low	92 Å²	92	127 Å²	127	64%	0.643	68%	0.676	S	S	*	*			trans	-78.2	113.9	-177.4	51	0	0	0	0	106.6	K47 E51	K47-S49 PolarHBondContact O-N 3.1Å; S49-E51 PolarHBondContact O-N 2.98Å; S49-E51 VanDerWaalsContact O-N 3.09Å
50	I	66.5	Low	71.4	Confident	148 Å²	148	123.9 Å²	123.9	76%	0.759	66%	0.664	S	S	*	*			trans	-56.9	115.5	153.1	-59.7	173.1	0	0	0	104.7	P48 C52	P48-I50 PolarHBondContact O-N 3Å; I50-C52 VanDerWaalsContact CG2-SG 3.56Å; I50-C52 PolarHBondContact O-N 3.44Å
51	E	82	Confident	73.9	Confident	186 Å²	186	120.6 Å²	120.6	87%	0.869	65%	0.65	S	S	*	*			trans	-70.6	70.3	179.7	-68.9	-176	169.7	0	0	109.9	S49	S49-E51 PolarHBondContact O-N 2.98Å; S49-E51 VanDerWaalsContact O-N 3.09Å
52	C	88	Confident	76.3	Confident	86 Å²	86	119.6 Å²	119.6	58%	0.581	64%	0.641	S	S	*	*	P	Polyproline II helix	trans	-75.6	148.7	173	-71.3	0	0	0	0	110	I50	I50-C52 VanDerWaalsContact CG2-SG 3.56Å; I50-C52 PolarHBondContact O-N 3.44Å
53	P	93.6	Very high	78.7	Confident	118 Å²	118	111.5 Å²	111.5	77%	0.766	61%	0.608	S	S	*	*	P	Polyproline II helix	trans	-54.7	143.2	166	-24	34.1	0	0	0	111.1
54	P	94	Very high	81.2	Confident	73 Å²	73	104.9 Å²	104.9	47%	0.474	58%	0.575	S	S	.	*	P	Polyproline II helix	trans	-65.9	139.5	-175.1	27.3	-35.2	0	0	0	111.2	E58 L59	P54-E58 HydrophobicContact CB-CB 3.98Å; P54-E58 HydrophobicContact CB-CG 3.87Å; P54-L59 HydrophobicContact CB-CB 4.32Å
55	D	94.6	Very high	83.6	Confident	95 Å²	95	99.6 Å²	99.6	51%	0.508	55%	0.553	S	S	.	*			trans	-76.3	179.5	170.3	77.6	12.8	0	0	0	111.7	I57 E58 L59	D55-I57 PolarHBondContact O-N 3.45Å; D55-I57 WeakPolarHBondContact OD1-CA 3.48Å; D55-I57 WeakPolarHBondContact OD1-CB 3.45Å; D55-I57 PolarHBondContact OD1-N 3.25Å; D55-E58 PolarHBondContact O-N 3.03Å; D55-E58 PolarHBondContact OD1-N 3.46Å; D55-L59 WeakPolarHBondContact O-CB 3.37Å; D55-L59 PolarHBondContact O-N 2.83Å
56	K	95.5	Very high	86	Confident	143 Å²	143	98.5 Å²	98.5	62%	0.622	54%	0.538	S	S	*	.	H	α-helix	trans	-55.5	-36.5	178.8	178.7	-179.1	175.1	180	0	113	G60	K56-G60 PolarHBondContact O-N 2.96Å
57	I	95.1	Very high	88.3	Confident	108 Å²	108	93.7 Å²	93.7	55%	0.554	50%	0.504	S	S	*	.	H	α-helix	trans	-78.6	-46.6	-174.3	-63.1	175	0	0	0	109.7	D55 G60 K61	D55-I57 PolarHBondContact O-N 3.45Å; D55-I57 WeakPolarHBondContact OD1-CA 3.48Å; D55-I57 WeakPolarHBondContact OD1-CB 3.45Å; D55-I57 PolarHBondContact OD1-N 3.25Å; I57-G60 PolarHBondContact O-N 2.82Å; I57-K61 HydrophobicContact CG2-CD 4.29Å; I57-K61 WeakPolarHBondContact O-CG 3.45Å; I57-K61 PolarHBondContact O-N 3.48Å
58	E	95.6	Very high	90.4	Very high	112 Å²	112	85.2 Å²	85.2	52%	0.523	47%	0.467	S	S	.	.	H	α-helix	trans	-62.5	-50.2	177.1	-175.3	173.6	-169	0	0	111.1	P54 D55 G60 K61 A62	P54-E58 HydrophobicContact CB-CB 3.98Å; P54-E58 HydrophobicContact CB-CG 3.87Å; D55-E58 PolarHBondContact O-N 3.03Å; D55-E58 PolarHBondContact OD1-N 3.46Å; E58-G60 VanDerWaalsContact C-N 3.32Å; E58-G60 PolarHBondContact O-N 3.38Å; E58-K61 PolarHBondContact O-N 3.25Å; E58-A62 PolarHBondContact O-N 2.92Å
59	L	96.6	Very high	92.5	Very high	41 Å²	41	81.1 Å²	81.1	22%	0.215	44%	0.439	C	S	.	.	H	α-helix	trans	-55.7	-48.7	175	178.7	62.7	0	0	0	110.6	P54 D55 K61 A62 T63 F97 P98	P54-L59 HydrophobicContact CB-CB 4.32Å; D55-L59 WeakPolarHBondContact O-CB 3.37Å; D55-L59 PolarHBondContact O-N 2.83Å; L59-K61 PolarHBondContact O-N 3.1Å; L59-A62 PolarHBondContact O-N 3.04Å; L59-T63 WeakPolarHBondContact O-CB 3.1Å; L59-T63 PolarHBondContact O-N 3.28Å; L59-T63 PolarHBondContact O-OG1 2.89Å; L59-F97 HydrophobicContact CD2-CE2 4.27Å; L59-F97 HydrophobicContact CD2-CZ 4.21Å; L59-F97 HydrophobicContact CG-CE2 4.21Å; L59-F97 HydrophobicContact CG-CZ 4.23Å; L59-P98 HydrophobicContact CD2-CB 4.12Å; L59-P98 HydrophobicContact CD2-CG 4.06Å
60	G	97.5	Very high	94.3	Very high	16 Å²	16	78.7 Å²	78.7	17%	0.165	42%	0.418	C	S	.	.	H	α-helix	trans	-57.8	-45.6	178.9	0	0	0	0	0	113.1	K56 I57 E58 T63 W64	K56-G60 PolarHBondContact O-N 2.96Å; I57-G60 PolarHBondContact O-N 2.82Å; E58-G60 VanDerWaalsContact C-N 3.32Å; E58-G60 PolarHBondContact O-N 3.38Å; G60-T63 PolarHBondContact O-N 3.26Å; G60-W64 WeakPolarHBondContact O-CB 3.42Å; G60-W64 PolarHBondContact O-N 2.97Å
61	K	97.6	Very high	95.9	Very high	142 Å²	142	71.6 Å²	71.6	62%	0.617	38%	0.382	S	S	*	.	H	α-helix	trans	-63.2	-45.4	178.1	-73.7	171.5	-179.6	175.6	0	112.2	I57 E58 L59 T65	I57-K61 HydrophobicContact CG2-CD 4.29Å; I57-K61 WeakPolarHBondContact O-CG 3.45Å; I57-K61 PolarHBondContact O-N 3.48Å; E58-K61 PolarHBondContact O-N 3.25Å; L59-K61 PolarHBondContact O-N 3.1Å; K61-T65 WeakPolarHBondContact O-CB 3.4Å; K61-T65 PolarHBondContact O-N 2.96Å; K61-T65 PolarHBondContact O-OG1 3.02Å
62	A	97.4	Very high	96.5	Very high	59 Å²	59	62.8 Å²	62.8	49%	0.488	34%	0.341	S	S	.	.	H	α-helix	trans	-63.2	-45.8	178.2	0	0	0	0	0	111	E58 L59 T65 F66	E58-A62 PolarHBondContact O-N 2.92Å; L59-A62 PolarHBondContact O-N 3.04Å; A62-T65 WeakPolarHBondContact O-CB 3.4Å; A62-T65 PolarHBondContact O-N 3.33Å; A62-F66 PolarHBondContact O-N 3.46Å
63	T	98.4	Very high	96.9	Very high	20 Å²	20	61.5 Å²	61.5	12%	0.123	32%	0.324	C	S	.	.	H	α-helix	trans	-63	-44.9	178.1	-61.2	0	0	0	0	112.5	L59 G60 T65 F66 L67 F93 F97	L59-T63 WeakPolarHBondContact O-CB 3.1Å; L59-T63 PolarHBondContact O-N 3.28Å; L59-T63 PolarHBondContact O-OG1 2.89Å; G60-T63 PolarHBondContact O-N 3.26Å; T63-T65 VanDerWaalsContact C-N 3.29Å; T63-T65 PolarHBondContact O-N 3.29Å; T63-F66 PolarHBondContact O-N 3.12Å; T63-L67 HydrophobicContact CG2-CD1 3.95Å; T63-L67 HydrophobicContact CG2-CG 4.24Å; T63-L67 WeakPolarHBondContact O-CG 3.21Å; T63-L67 PolarHBondContact O-N 2.98Å; T63-F93 HydrophobicContact CG2-CE2 3.7Å; T63-F93 HydrophobicContact CG2-CZ 3.46Å; T63-F93 VanDerWaalsContact CG2-CZ 3.46Å; T63-F97 HydrophobicContact CG2-CD2 4.32Å; T63-F97 HydrophobicContact CG2-CE2 3.73Å; T63-F97 HydrophobicContact CG2-CZ 4.46Å; T63-F97 WeakPolarHBondContact OG1-CE2 3.2Å
64	W	98.6	Very high	97.1	Very high	42 Å²	42	56.5 Å²	56.5	16%	0.159	29%	0.29	C	S	.	.	H	α-helix	trans	-62.9	-37.8	175.6	-74.8	124.8	0	0	0	112.1	G60 F66 L67 H68 L127 H131 V134	G60-W64 WeakPolarHBondContact O-CB 3.42Å; G60-W64 PolarHBondContact O-N 2.97Å; W64-F66 VanDerWaalsContact C-N 3.34Å; W64-F66 PolarHBondContact O-N 3.34Å; W64-L67 HydrophobicContact CE3-CD1 4.16Å; W64-L67 HydrophobicContact CZ3-CD1 4.13Å; W64-L67 PolarHBondContact O-N 3.39Å; W64-H68 AromaticContact CE3-NE2 3.79Å; W64-H68 WeakPolarHBondContact O-CB 3.45Å; W64-H68 PolarHBondContact O-CD2 3Å; W64-H68 PolarHBondContact O-N 3.32Å; W64-L127 HydrophobicContact CZ3-CD1 3.92Å; W64-L127 HydrophobicContact CZ3-CG 4.39Å; W64-H131 AromaticContact CD1-CD2 3.97Å; W64-H131 AromaticContact CD1-CE1 3.68Å; W64-H131 AromaticContact CD1-NE2 3.36Å; W64-H131 HydrophobicContact CD2-CB 4.45Å; W64-H131 AromaticContact CD2-CD2 3.81Å; W64-H131 AromaticContact CD2-CE1 3.84Å; W64-H131 AromaticContact CD2-CG 3.82Å; W64-H131 AromaticContact CD2-ND1 3.85Å; W64-H131 AromaticContact CD2-NE2 3.86Å; W64-H131 AromaticContact CE2-CD2 3.48Å; W64-H131 VanDerWaalsContact CE2-CD2 3.48Å; W64-H131 AromaticContact CE2-CG 3.88Å; W64-H131 AromaticContact CE2-NE2 3.74Å; W64-H131 HydrophobicContact CE3-CB 4.19Å; W64-H131 AromaticContact CE3-CG 4Å; W64-H131 AromaticContact CG-CE1 3.53Å; W64-H131 AromaticContact CG-ND1 3.97Å; W64-H131 AromaticContact CG-NE2 3.66Å; W64-H131 HydrophobicContact CH2-CB 4.07Å; W64-H131 HydrophobicContact CZ2-CB 4.31Å; W64-H131 AromaticContact CZ2-CD2 3.85Å; W64-H131 HydrophobicContact CZ3-CB 3.99Å; W64-H131 AromaticContact NE1-CD2 3.58Å; W64-H131 AromaticContact NE1-NE2 3.41Å; W64-H131 PolarHBondContact NE1-NE2 2.85Å; W64-V134 HydrophobicContact CZ2-CG2 4.09Å
65	T	98.3	Very high	97.1	Very high	66 Å²	66	54.1 Å²	54.1	41%	0.405	28%	0.275	S	S	.	.	H	α-helix	trans	-59.8	-46.6	175.1	-62.3	0	0	0	0	110.9	K61 A62 T63 T69 W152	K61-T65 WeakPolarHBondContact O-CB 3.4Å; K61-T65 PolarHBondContact O-N 2.96Å; K61-T65 PolarHBondContact O-OG1 3.02Å; A62-T65 WeakPolarHBondContact O-CB 3.4Å; A62-T65 PolarHBondContact O-N 3.33Å; T63-T65 VanDerWaalsContact C-N 3.29Å; T63-T65 PolarHBondContact O-N 3.29Å; T65-T69 VanDerWaalsContact O-CB 3.3Å; T65-T69 WeakPolarHBondContact O-CB 3.18Å; T65-T69 PolarHBondContact O-N 2.84Å; T65-T69 VanDerWaalsContact O-N 3.07Å; T65-T69 PolarHBondContact O-OG1 3.35Å; T65-W152 HydrophobicContact CG2-CZ3 4.07Å
66	F	98.4	Very high	97.1	Very high	111 Å²	111	53 Å²	53	49%	0.487	27%	0.268	S	S	.	.	H	α-helix	trans	-62.1	-53.8	176.4	168	-103	0	0	0	112	A62 T63 W64 H68 T69 M70 F89	A62-F66 PolarHBondContact O-N 3.46Å; T63-F66 PolarHBondContact O-N 3.12Å; W64-F66 VanDerWaalsContact C-N 3.34Å; W64-F66 PolarHBondContact O-N 3.34Å; F66-H68 PolarHBondContact O-N 3.42Å; F66-T69 PolarHBondContact O-N 3.19Å; F66-M70 HydrophobicContact CE1-SD 4.48Å; F66-M70 HydrophobicContact CZ-SD 4.4Å; F66-M70 WeakPolarHBondContact O-CB 3.41Å; F66-M70 PolarHBondContact O-N 3.04Å; F66-F89 AromaticContact CE1-CZ 3.82Å; F66-F89 HydrophobicContact CE1-CZ 3.82Å; F66-F89 HydrophobicContact CZ-CZ 4.3Å
67	L	98.7	Very high	97.2	Very high	2 Å²	2	52 Å²	52	1%	0.01	27%	0.266	C	S	.	.	H	α-helix	trans	-62.1	-43	-175.5	-68.5	176.9	0	0	0	112.2	T63 W64 M70 A71 F89 F93 L127	T63-L67 HydrophobicContact CG2-CD1 3.95Å; T63-L67 HydrophobicContact CG2-CG 4.24Å; T63-L67 WeakPolarHBondContact O-CG 3.21Å; T63-L67 PolarHBondContact O-N 2.98Å; W64-L67 HydrophobicContact CE3-CD1 4.16Å; W64-L67 HydrophobicContact CZ3-CD1 4.13Å; W64-L67 PolarHBondContact O-N 3.39Å; L67-M70 HydrophobicContact CD2-CE 4.19Å; L67-M70 PolarHBondContact O-N 3.23Å; L67-A71 WeakPolarHBondContact O-CB 3.27Å; L67-A71 PolarHBondContact O-N 2.98Å; L67-F89 HydrophobicContact CD2-CE1 3.89Å; L67-F89 HydrophobicContact CD2-CZ 4.25Å; L67-F93 HydrophobicContact CD1-CE1 3.97Å; L67-F93 HydrophobicContact CD1-CE2 4.38Å; L67-F93 HydrophobicContact CD1-CZ 3.83Å; L67-F93 HydrophobicContact CD2-CD2 4.46Å; L67-F93 HydrophobicContact CD2-CE2 4.41Å; L67-L127 HydrophobicContact CB-CD1 4.34Å; L67-L127 HydrophobicContact CB-CD2 3.75Å; L67-L127 HydrophobicContact CD1-CD1 4.49Å; L67-L127 WeakPolarHBondContact O-CD2 3.4Å
68	H	98.7	Very high	97.3	Very high	4 Å²	4	47.4 Å²	47.4	2%	0.019	24%	0.243	C	C	.	.	H	α-helix	trans	-68.6	-41	179	-80.3	-66.4	0	0	0	112	W64 F66 M70 A71 A72 L127 H131 W152	W64-H68 AromaticContact CE3-NE2 3.79Å; W64-H68 WeakPolarHBondContact O-CB 3.45Å; W64-H68 PolarHBondContact O-CD2 3Å; W64-H68 PolarHBondContact O-N 3.32Å; F66-H68 PolarHBondContact O-N 3.42Å; H68-M70 VanDerWaalsContact C-N 3.35Å; H68-A71 PolarHBondContact O-N 2.96Å; H68-A72 VanDerWaalsContact O-CB 3.27Å; H68-A72 WeakPolarHBondContact O-CB 3.34Å; H68-A72 PolarHBondContact O-N 3.26Å; H68-L127 HydrophobicContact CB-CD2 4.39Å; H68-H131 AromaticContact CD2-ND1 3.93Å; H68-H131 AromaticContact NE2-CG 3.89Å; H68-H131 AromaticContact NE2-ND1 3.23Å; H68-H131 PolarHBondContact NE2-ND1 2.9Å; H68-W152 HydrophobicContact CB-CB 4.22Å; H68-W152 HydrophobicContact CB-CD2 3.36Å; H68-W152 HydrophobicContact CB-CE3 3.94Å; H68-W152 HydrophobicContact CB-CG 3.49Å; H68-W152 VanDerWaalsContact CB-CG 3.49Å; H68-W152 HydrophobicContact CB-CH2 4.49Å; H68-W152 HydrophobicContact CB-CZ2 3.99Å; H68-W152 HydrophobicContact CB-CZ3 4.48Å; H68-W152 AromaticContact CD2-CE2 3.79Å; H68-W152 AromaticContact CD2-CZ2 3.78Å; H68-W152 AromaticContact CD2-NE1 3.74Å; H68-W152 AromaticContact CG-CD1 3.7Å; H68-W152 AromaticContact CG-CE2 3.52Å; H68-W152 AromaticContact CG-CZ2 3.98Å; H68-W152 AromaticContact CG-NE1 3.29Å; H68-W152 VanDerWaalsContact CG-NE1 3.29Å; H68-W152 AromaticContact ND1-CD1 3.81Å; H68-W152 AromaticContact ND1-NE1 3.6Å
69	T	97.9	Very high	97.4	Very high	39 Å²	39	44.8 Å²	44.8	24%	0.239	23%	0.234	C	C	.	.	H	α-helix	trans	-62.2	-44.8	174.8	-54.3	0	0	0	0	110.6	A29 T65 F66 A71 A72 Y73	A29-T69 HydrophobicContact CB-CG2 4.12Å; T65-T69 VanDerWaalsContact O-CB 3.3Å; T65-T69 WeakPolarHBondContact O-CB 3.18Å; T65-T69 PolarHBondContact O-N 2.84Å; T65-T69 VanDerWaalsContact O-N 3.07Å; T65-T69 PolarHBondContact O-OG1 3.35Å; F66-T69 PolarHBondContact O-N 3.19Å; T69-A71 PolarHBondContact O-N 3.01Å; T69-A72 PolarHBondContact O-N 3.08Å; T69-Y73 HydrophobicContact CG2-CD2 3.93Å; T69-Y73 HydrophobicContact CG2-CE2 4.05Å; T69-Y73 WeakPolarHBondContact O-CD2 3.39Å; T69-Y73 PolarHBondContact O-N 3.03Å
70	M	98.1	Very high	97.4	Very high	41 Å²	41	47.7 Å²	47.7	20%	0.202	26%	0.258	C	S	.	.	H	α-helix	trans	-56.4	-49	174.8	177.9	-161.6	71.4	0	0	111.8	F66 L67 H68 A72 Y73 Y74 M86 F89	F66-M70 HydrophobicContact CE1-SD 4.48Å; F66-M70 HydrophobicContact CZ-SD 4.4Å; F66-M70 WeakPolarHBondContact O-CB 3.41Å; F66-M70 PolarHBondContact O-N 3.04Å; L67-M70 HydrophobicContact CD2-CE 4.19Å; L67-M70 PolarHBondContact O-N 3.23Å; H68-M70 VanDerWaalsContact C-N 3.35Å; M70-A72 VanDerWaalsContact C-N 3.3Å; M70-A72 PolarHBondContact O-N 3.3Å; M70-Y73 PolarHBondContact O-N 3.31Å; M70-Y74 PolarHBondContact O-N 2.88Å; M70-Y74 VanDerWaalsContact O-N 3.08Å; M70-M86 HydrophobicContact CE-CE 3.88Å; M70-M86 HydrophobicContact CE-SD 3.62Å; M70-M86 HydrophobicContact CG-CE 4.14Å; M70-M86 HydrophobicContact SD-CE 3.87Å; M70-M86 HydrophobicContact SD-SD 4.11Å; M70-F89 HydrophobicContact CE-CD1 4.07Å; M70-F89 HydrophobicContact CE-CE1 3.76Å; M70-F89 HydrophobicContact SD-CD1 3.89Å; M70-F89 HydrophobicContact SD-CE1 3.54Å; M70-F89 VanDerWaalsContact SD-CE1 3.54Å; M70-F89 HydrophobicContact SD-CZ 4.06Å
71	A	98.4	Very high	97.5	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-62.5	-38.7	178	0	0	0	0	0	112.2	L67 H68 T69 Y73 Y74 L123 S124 L127	L67-A71 WeakPolarHBondContact O-CB 3.27Å; L67-A71 PolarHBondContact O-N 2.98Å; H68-A71 PolarHBondContact O-N 2.96Å; T69-A71 PolarHBondContact O-N 3.01Å; A71-Y73 VanDerWaalsContact C-N 3.27Å; A71-Y73 PolarHBondContact O-N 2.62Å; A71-Y74 VanDerWaalsContact O-CB 3.23Å; A71-Y74 WeakPolarHBondContact O-CB 3.32Å; A71-Y74 PolarHBondContact O-N 2.82Å; A71-L123 HydrophobicContact CB-CD2 4.13Å; A71-L123 HydrophobicContact CB-CG 3.85Å; A71-S124 PolarHBondContact O-OG 3.07Å; A71-L127 HydrophobicContact CB-CD2 3.85Å
72	A	96.6	Very high	97.5	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.008	26%	0.261	C	S	.	.	H	α-helix	trans	-69.5	-25.7	-179.9	0	0	0	0	0	112.5	H68 T69 M70 R120 L149 W152 R153	H68-A72 VanDerWaalsContact O-CB 3.27Å; H68-A72 WeakPolarHBondContact O-CB 3.34Å; H68-A72 PolarHBondContact O-N 3.26Å; T69-A72 PolarHBondContact O-N 3.08Å; M70-A72 VanDerWaalsContact C-N 3.3Å; M70-A72 PolarHBondContact O-N 3.3Å; A72-R120 WeakPolarHBondContact O-CD 3.36Å; A72-R120 WeakPolarHBondContact O-CG 3.48Å; A72-R120 PolarHBondContact O-NE 3.46Å; A72-L149 HydrophobicContact CB-CD2 3.91Å; A72-W152 HydrophobicContact CB-CB 4.07Å; A72-R153 HydrophobicContact CB-CB 3.94Å; A72-R153 WeakPolarHBondContact O-CD 3.3Å; A72-R153 PolarHBondContact O-NH1 3.27Å
73	Y	95.5	Very high	97.6	Very high	58 Å²	58	49 Å²	49	23%	0.227	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	2.7	173.1	-76.2	-81.3	0	0	0	114.7	C27 R28 A29 T69 M70 A71	C27-Y73 WeakPolarHBondContact CA-OH 3.42Å; C27-Y73 HydrophobicContact CB-CE1 3.8Å; R28-Y73 PolarHBondContact N-OH 3.39Å; A29-Y73 HydrophobicContact CB-CD2 4.48Å; A29-Y73 HydrophobicContact CB-CE2 3.94Å; T69-Y73 HydrophobicContact CG2-CD2 3.93Å; T69-Y73 HydrophobicContact CG2-CE2 4.05Å; T69-Y73 WeakPolarHBondContact O-CD2 3.39Å; T69-Y73 PolarHBondContact O-N 3.03Å; M70-Y73 PolarHBondContact O-N 3.31Å; A71-Y73 VanDerWaalsContact C-N 3.27Å; A71-Y73 PolarHBondContact O-N 2.62Å
74	Y	96.7	Very high	97.6	Very high	14 Å²	14	52.9 Å²	52.9	6%	0.055	27%	0.267	C	S	.	.	S	Bend	trans	-59.4	146.8	171.9	-166.8	-117.8	0	0	0	110.8	M70 A71 P78 Q82 Q83 M86 L117 R120 L123	M70-Y74 PolarHBondContact O-N 2.88Å; M70-Y74 VanDerWaalsContact O-N 3.08Å; A71-Y74 VanDerWaalsContact O-CB 3.23Å; A71-Y74 WeakPolarHBondContact O-CB 3.32Å; A71-Y74 PolarHBondContact O-N 2.82Å; Y74-P78 HydrophobicContact CE1-CB 3.63Å; Y74-P78 HydrophobicContact CE1-CG 3.63Å; Y74-P78 HydrophobicContact CE2-CB 4.39Å; Y74-P78 VanDerWaalsContact OH-CB 3.3Å; Y74-P78 WeakPolarHBondContact OH-CB 3.49Å; Y74-Q82 HydrophobicContact CE2-CB 4.47Å; Y74-Q82 PolarHBondContact OH-O 3.41Å; Y74-Q83 WeakPolarHBondContact OH-CA 3.44Å; Y74-Q83 PolarHBondContact OH-N 3.18Å; Y74-M86 HydrophobicContact CD2-CE 3.67Å; Y74-M86 HydrophobicContact CE2-CB 4.02Å; Y74-M86 HydrophobicContact CE2-CE 3.88Å; Y74-M86 HydrophobicContact CE2-CG 4.24Å; Y74-L117 WeakPolarHBondContact CE1-O 3.49Å; Y74-L117 PolarHBondContact OH-O 2.95Å; Y74-R120 VanDerWaalsContact O-CB 3.29Å; Y74-R120 WeakPolarHBondContact O-CB 3.15Å; Y74-R120 WeakPolarHBondContact O-CG 3.38Å; Y74-R120 PolarHBondContact O-NE 3.4Å; Y74-L123 HydrophobicContact CD1-CB 4.18Å; Y74-L123 HydrophobicContact CD1-CD2 3.79Å; Y74-L123 HydrophobicContact CD2-CD2 3.98Å; Y74-L123 HydrophobicContact CE1-CD2 4.29Å; Y74-L123 HydrophobicContact CE2-CD2 4.49Å; Y74-L123 HydrophobicContact CG-CD2 3.61Å
75	P	95	Very high	97.6	Very high	22 Å²	22	54 Å²	54	14%	0.143	28%	0.276	C	S	.	.			trans	-59.1	148.7	-177.1	-25.4	35	0	0	0	112.9	H77 P78 R120	P75-H77 VanDerWaalsContact C-N 3.26Å; P75-P78 HydrophobicContact CB-CB 4.34Å; P75-R120 PolarHBondContact O-N 3.49Å
76	I	95.1	Very high	97.6	Very high	71 Å²	71	51.8 Å²	51.8	36%	0.364	26%	0.261	S	S	.	.	S	Bend	trans	-62.6	-42.2	171.2	-57.4	178.9	0	0	0	109.5	D13 P78 S119	D13-I76 PolarHBondContact OD2-N 2.82Å; I76-P78 WeakPolarHBondContact O-CD 3.41Å; I76-S119 WeakPolarHBondContact O-CA 3.34Å; I76-S119 WeakPolarHBondContact O-CB 3.34Å
77	H	96.1	Very high	97.6	Very high	124 Å²	124	51.7 Å²	51.7	57%	0.574	26%	0.261	S	S	*	.	S	Bend	trans	-120.9	78.6	-179.6	-60.9	-58.3	0	0	0	111	N11 P75	N11-H77 PolarHBondContact OD1-O 3.44Å; P75-H77 VanDerWaalsContact C-N 3.26Å
78	P	97.2	Very high	97.6	Very high	11 Å²	11	56.2 Å²	56.2	7%	0.071	28%	0.28	C	S	.	.			trans	-70.6	134.4	-176.2	29.8	-35.2	0	0	0	111.7	Y74 P75 I76 Q82 Q83 L117 D118	Y74-P78 HydrophobicContact CE1-CB 3.63Å; Y74-P78 HydrophobicContact CE1-CG 3.63Å; Y74-P78 HydrophobicContact CE2-CB 4.39Å; Y74-P78 VanDerWaalsContact OH-CB 3.3Å; Y74-P78 WeakPolarHBondContact OH-CB 3.49Å; P75-P78 HydrophobicContact CB-CB 4.34Å; I76-P78 WeakPolarHBondContact O-CD 3.41Å; P78-Q82 HydrophobicContact CB-CB 4.23Å; P78-Q83 HydrophobicContact CB-CG 3.99Å; P78-Q83 HydrophobicContact CG-CG 3.96Å; P78-Q83 PolarHBondContact O-NE2 2.83Å; P78-Q83 VanDerWaalsContact O-NE2 3.11Å; P78-L117 WeakPolarHBondContact CG-O 3.5Å; P78-D118 VanDerWaalsContact CD-O 3.27Å; P78-D118 WeakPolarHBondContact CD-O 3.37Å
79	T	97.8	Very high	97.6	Very high	56 Å²	56	59.5 Å²	59.5	34%	0.344	29%	0.294	S	S	.	.			trans	-62	155.6	170.3	63.1	0	0	0	0	111.1	K81 Q82 Q83	T79-K81 PolarHBondContact O-N 3.26Å; T79-K81 VanDerWaalsContact O-N 3.09Å; T79-Q82 PolarHBondContact O-N 3.37Å; T79-Q82 WeakPolarHBondContact OG1-CG 3.43Å; T79-Q82 PolarHBondContact OG1-N 3.01Å; T79-Q82 PolarHBondContact OG1-OE1 3.1Å; T79-Q83 WeakPolarHBondContact O-CG 3.36Å; T79-Q83 PolarHBondContact O-N 3.04Å
80	S	98.1	Very high	97.6	Very high	102 Å²	102	57.6 Å²	57.6	71%	0.713	28%	0.283	S	S	*	.	H	α-helix	trans	-53	-35.6	175.8	-51.3	0	0	0	0	112.5	Q83 E84	S80-Q83 PolarHBondContact O-N 3.49Å; S80-E84 PolarHBondContact O-N 2.8Å
81	K	98.3	Very high	97.6	Very high	126 Å²	126	59.9 Å²	59.9	55%	0.548	29%	0.293	S	S	.	.	H	α-helix	trans	-65.5	-47.3	175.8	-169	-169.7	-174.8	-41.6	0	111.9	T79 Q83 E84 D85	T79-K81 PolarHBondContact O-N 3.26Å; T79-K81 VanDerWaalsContact O-N 3.09Å; K81-Q83 VanDerWaalsContact C-N 3.25Å; K81-Q83 PolarHBondContact O-N 3.34Å; K81-E84 PolarHBondContact O-N 3.48Å; K81-D85 IonicContact NZ-OD1 2.78Å; K81-D85 PolarHBondContact NZ-OD1 3.4Å; K81-D85 IonicContact NZ-OD2 2.64Å; K81-D85 PolarHBondContact NZ-OD2 3.33Å; K81-D85 WeakPolarHBondContact O-CB 3.46Å; K81-D85 VanDerWaalsContact O-CG 3.22Å; K81-D85 PolarHBondContact O-N 3.28Å
82	Q	98.3	Very high	97.6	Very high	64 Å²	64	63.1 Å²	63.1	30%	0.299	31%	0.313	S	S	.	.	H	α-helix	trans	-62.4	-33.5	177.7	-74.9	163.1	-40.3	0	0	112.1	Y74 P78 T79 M86	Y74-Q82 HydrophobicContact CE2-CB 4.47Å; Y74-Q82 PolarHBondContact OH-O 3.41Å; P78-Q82 HydrophobicContact CB-CB 4.23Å; T79-Q82 PolarHBondContact O-N 3.37Å; T79-Q82 WeakPolarHBondContact OG1-CG 3.43Å; T79-Q82 PolarHBondContact OG1-N 3.01Å; T79-Q82 PolarHBondContact OG1-OE1 3.1Å; Q82-M86 VanDerWaalsContact O-CB 3.27Å; Q82-M86 WeakPolarHBondContact O-CB 3.5Å; Q82-M86 PolarHBondContact O-N 2.88Å
83	Q	98.8	Very high	97.7	Very high	55 Å²	55	65 Å²	65	26%	0.257	32%	0.321	S	S	.	.	H	α-helix	trans	-67.1	-46.1	173.5	-61.3	-177.2	36.8	0	0	111.3	Y74 P78 T79 S80 K81 M86 K87 L117	Y74-Q83 WeakPolarHBondContact OH-CA 3.44Å; Y74-Q83 PolarHBondContact OH-N 3.18Å; P78-Q83 HydrophobicContact CB-CG 3.99Å; P78-Q83 HydrophobicContact CG-CG 3.96Å; P78-Q83 PolarHBondContact O-NE2 2.83Å; P78-Q83 VanDerWaalsContact O-NE2 3.11Å; T79-Q83 WeakPolarHBondContact O-CG 3.36Å; T79-Q83 PolarHBondContact O-N 3.04Å; S80-Q83 PolarHBondContact O-N 3.49Å; K81-Q83 VanDerWaalsContact C-N 3.25Å; K81-Q83 PolarHBondContact O-N 3.34Å; Q83-M86 PolarHBondContact O-N 3.22Å; Q83-K87 WeakPolarHBondContact O-CB 3.34Å; Q83-K87 PolarHBondContact O-N 3.43Å; Q83-L117 HydrophobicContact CB-CB 4.19Å; Q83-L117 HydrophobicContact CG-CB 4.22Å; Q83-L117 WeakPolarHBondContact CG-O 3.16Å; Q83-L117 WeakPolarHBondContact O-CD1 3.45Å
84	E	98.7	Very high	97.7	Very high	101 Å²	101	62.3 Å²	62.3	47%	0.472	31%	0.311	S	S	.	.	H	α-helix	trans	-62.3	-44.9	176.7	-169.9	-174.9	168.1	0	0	112	S80 K81 K87 K88	S80-E84 PolarHBondContact O-N 2.8Å; K81-E84 PolarHBondContact O-N 3.48Å; E84-K87 WeakPolarHBondContact O-CB 3.32Å; E84-K87 PolarHBondContact O-N 3.2Å; E84-K88 HydrophobicContact CG-CD 4.43Å; E84-K88 WeakPolarHBondContact O-CG 3.42Å; E84-K88 PolarHBondContact O-N 3.48Å; E84-K88 WeakPolarHBondContact OE1-CE 3.37Å; E84-K88 IonicContact OE1-NZ 3.02Å; E84-K88 PolarHBondContact OE1-NZ 3.18Å
85	D	98.7	Very high	97.7	Very high	66 Å²	66	67.5 Å²	67.5	35%	0.353	34%	0.335	S	S	.	.	H	α-helix	trans	-62.9	-43.4	178.6	-68.8	-18.2	0	0	0	111.2	K81 K88 F89	K81-D85 IonicContact NZ-OD1 2.78Å; K81-D85 PolarHBondContact NZ-OD1 3.4Å; K81-D85 IonicContact NZ-OD2 2.64Å; K81-D85 PolarHBondContact NZ-OD2 3.33Å; K81-D85 WeakPolarHBondContact O-CB 3.46Å; K81-D85 VanDerWaalsContact O-CG 3.22Å; K81-D85 PolarHBondContact O-N 3.28Å; D85-K88 PolarHBondContact O-N 2.63Å; D85-F89 WeakPolarHBondContact O-CB 3.43Å; D85-F89 PolarHBondContact O-N 3.21Å
86	M	98.8	Very high	97.8	Very high	20 Å²	20	73.8 Å²	73.8	10%	0.099	36%	0.361	C	S	.	.	H	α-helix	trans	-65.7	-39.1	177.1	-176.5	57.4	69.3	0	0	112.1	M70 Y74 Q82 Q83 F89 L90 L117 L123	M70-M86 HydrophobicContact CE-CE 3.88Å; M70-M86 HydrophobicContact CE-SD 3.62Å; M70-M86 HydrophobicContact CG-CE 4.14Å; M70-M86 HydrophobicContact SD-CE 3.87Å; M70-M86 HydrophobicContact SD-SD 4.11Å; Y74-M86 HydrophobicContact CD2-CE 3.67Å; Y74-M86 HydrophobicContact CE2-CB 4.02Å; Y74-M86 HydrophobicContact CE2-CE 3.88Å; Y74-M86 HydrophobicContact CE2-CG 4.24Å; Q82-M86 VanDerWaalsContact O-CB 3.27Å; Q82-M86 WeakPolarHBondContact O-CB 3.5Å; Q82-M86 PolarHBondContact O-N 2.88Å; Q83-M86 PolarHBondContact O-N 3.22Å; M86-F89 PolarHBondContact O-N 2.95Å; M86-F89 HydrophobicContact SD-CD1 4.01Å; M86-L90 HydrophobicContact CG-CD1 4.4Å; M86-L90 WeakPolarHBondContact O-CG 3.45Å; M86-L90 PolarHBondContact O-N 2.96Å; M86-L90 HydrophobicContact SD-CG 4.34Å; M86-L117 HydrophobicContact CB-CD1 4.33Å; M86-L117 HydrophobicContact CB-CD2 4.2Å; M86-L117 HydrophobicContact CG-CD1 4.49Å; M86-L117 HydrophobicContact CG-CD2 3.57Å; M86-L123 HydrophobicContact CE-CD2 3.93Å; M86-L123 HydrophobicContact CG-CD1 4.49Å; M86-L123 HydrophobicContact CG-CD2 3.92Å; M86-L123 HydrophobicContact SD-CD2 4.04Å
87	K	98.5	Very high	98	Very high	109 Å²	109	71.9 Å²	71.9	47%	0.474	35%	0.35	S	S	.	.	H	α-helix	trans	-59.6	-49.1	174.2	-174.4	177.7	178.5	179.4	0	111	Q83 E84 F89 L90 Q91 L117	Q83-K87 WeakPolarHBondContact O-CB 3.34Å; Q83-K87 PolarHBondContact O-N 3.43Å; E84-K87 WeakPolarHBondContact O-CB 3.32Å; E84-K87 PolarHBondContact O-N 3.2Å; K87-F89 VanDerWaalsContact C-N 3.34Å; K87-L90 PolarHBondContact O-N 2.77Å; K87-Q91 VanDerWaalsContact O-CG 3.32Å; K87-Q91 WeakPolarHBondContact O-CG 3.37Å; K87-Q91 PolarHBondContact O-N 3.43Å; K87-Q91 VanDerWaalsContact O-N 3.12Å; K87-L117 HydrophobicContact CB-CD1 3.66Å
88	K	98.5	Very high	98.1	Very high	97 Å²	97	70.7 Å²	70.7	42%	0.422	35%	0.353	S	S	.	.	H	α-helix	trans	-61.5	-43.7	176.8	-72.4	172.8	-175.7	166.7	0	111.2	E84 D85 L90 Q91 T92	E84-K88 HydrophobicContact CG-CD 4.43Å; E84-K88 WeakPolarHBondContact O-CG 3.42Å; E84-K88 PolarHBondContact O-N 3.48Å; E84-K88 WeakPolarHBondContact OE1-CE 3.37Å; E84-K88 IonicContact OE1-NZ 3.02Å; E84-K88 PolarHBondContact OE1-NZ 3.18Å; D85-K88 PolarHBondContact O-N 2.63Å; K88-L90 PolarHBondContact O-N 3.08Å; K88-Q91 PolarHBondContact O-N 3.19Å; K88-T92 WeakPolarHBondContact O-CB 3.25Å; K88-T92 PolarHBondContact O-N 3.39Å; K88-T92 PolarHBondContact O-OG1 2.85Å
89	F	98.7	Very high	98.1	Very high	72 Å²	72	71.6 Å²	71.6	32%	0.316	36%	0.359	S	S	.	.	H	α-helix	trans	-54.9	-50.8	177.2	172.2	-93.5	0	0	0	111.5	F66 L67 M70 D85 M86 K87 Q91 T92 F93	F66-F89 AromaticContact CE1-CZ 3.82Å; F66-F89 HydrophobicContact CE1-CZ 3.82Å; F66-F89 HydrophobicContact CZ-CZ 4.3Å; L67-F89 HydrophobicContact CD2-CE1 3.89Å; L67-F89 HydrophobicContact CD2-CZ 4.25Å; M70-F89 HydrophobicContact CE-CD1 4.07Å; M70-F89 HydrophobicContact CE-CE1 3.76Å; M70-F89 HydrophobicContact SD-CD1 3.89Å; M70-F89 HydrophobicContact SD-CE1 3.54Å; M70-F89 VanDerWaalsContact SD-CE1 3.54Å; M70-F89 HydrophobicContact SD-CZ 4.06Å; D85-F89 WeakPolarHBondContact O-CB 3.43Å; D85-F89 PolarHBondContact O-N 3.21Å; M86-F89 PolarHBondContact O-N 2.95Å; M86-F89 HydrophobicContact SD-CD1 4.01Å; K87-F89 VanDerWaalsContact C-N 3.34Å; F89-Q91 PolarHBondContact O-N 2.88Å; F89-T92 PolarHBondContact O-N 3.07Å; F89-F93 HydrophobicContact CE1-CB 4.35Å; F89-F93 HydrophobicContact CZ-CB 4.3Å; F89-F93 HydrophobicContact CZ-CD2 4.47Å; F89-F93 WeakPolarHBondContact O-CB 3.44Å; F89-F93 PolarHBondContact O-N 2.78Å
90	L	98.6	Very high	98.1	Very high	0 Å²	0	78.3 Å²	78.3	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-65.2	-38.3	-179.2	-68.5	170.2	0	0	0	112.6	M86 K87 K88 A94 I110 P115 L117 L123 W126	M86-L90 HydrophobicContact CG-CD1 4.4Å; M86-L90 WeakPolarHBondContact O-CG 3.45Å; M86-L90 PolarHBondContact O-N 2.96Å; M86-L90 HydrophobicContact SD-CG 4.34Å; K87-L90 PolarHBondContact O-N 2.77Å; K88-L90 PolarHBondContact O-N 3.08Å; L90-A94 WeakPolarHBondContact O-CB 3.46Å; L90-A94 PolarHBondContact O-N 3.35Å; L90-I110 HydrophobicContact CB-CD1 4.39Å; L90-P115 HydrophobicContact CD1-CB 3.67Å; L90-P115 HydrophobicContact CD1-CG 3.61Å; L90-L117 HydrophobicContact CD1-CD2 4.47Å; L90-L123 HydrophobicContact CD1-CD1 4.29Å; L90-W126 HydrophobicContact CD1-CE3 4.49Å; L90-W126 HydrophobicContact CD1-CH2 4Å; L90-W126 HydrophobicContact CD1-CZ3 3.72Å; L90-W126 HydrophobicContact CD2-CZ3 4.19Å
91	Q	97.4	Very high	98	Very high	88 Å²	88	79 Å²	79	41%	0.411	37%	0.37	S	S	.	.	H	α-helix	trans	-65.3	-47.9	175.9	-71.2	175.4	-37.4	0	0	111.6	K87 K88 F89 A94 Q95	K87-Q91 VanDerWaalsContact O-CG 3.32Å; K87-Q91 WeakPolarHBondContact O-CG 3.37Å; K87-Q91 PolarHBondContact O-N 3.43Å; K87-Q91 VanDerWaalsContact O-N 3.12Å; K88-Q91 PolarHBondContact O-N 3.19Å; F89-Q91 PolarHBondContact O-N 2.88Å; Q91-A94 WeakPolarHBondContact O-CB 3.35Å; Q91-A94 PolarHBondContact O-N 3.38Å; Q91-Q95 PolarHBondContact O-N 3.07Å
92	T	98.3	Very high	97.9	Very high	69 Å²	69	74.3 Å²	74.3	42%	0.423	35%	0.353	S	S	.	.	H	α-helix	trans	-64	-44.2	176.6	-61.2	0	0	0	0	110.9	K88 F89 A94 Q95 F96	K88-T92 WeakPolarHBondContact O-CB 3.25Å; K88-T92 PolarHBondContact O-N 3.39Å; K88-T92 PolarHBondContact O-OG1 2.85Å; F89-T92 PolarHBondContact O-N 3.07Å; T92-A94 VanDerWaalsContact C-N 3.25Å; T92-A94 PolarHBondContact O-N 2.9Å; T92-Q95 WeakPolarHBondContact O-CB 3.18Å; T92-Q95 PolarHBondContact O-N 3.01Å; T92-Q95 VanDerWaalsContact O-N 3.08Å; T92-F96 HydrophobicContact CG2-CD2 3.66Å; T92-F96 HydrophobicContact CG2-CE2 3.82Å; T92-F96 VanDerWaalsContact O-CD2 3.25Å; T92-F96 WeakPolarHBondContact O-CD2 3.47Å; T92-F96 PolarHBondContact O-N 3.02Å; T92-F96 VanDerWaalsContact O-N 3.16Å
93	F	98.1	Very high	97.9	Very high	40 Å²	40	71.6 Å²	71.6	18%	0.175	34%	0.342	C	S	.	.	H	α-helix	trans	-55.8	-43	176.2	169.7	-88.9	0	0	0	111.4	T63 L67 F89 Q95 F96 F97 F106	T63-F93 HydrophobicContact CG2-CE2 3.7Å; T63-F93 HydrophobicContact CG2-CZ 3.46Å; T63-F93 VanDerWaalsContact CG2-CZ 3.46Å; L67-F93 HydrophobicContact CD1-CE1 3.97Å; L67-F93 HydrophobicContact CD1-CE2 4.38Å; L67-F93 HydrophobicContact CD1-CZ 3.83Å; L67-F93 HydrophobicContact CD2-CD2 4.46Å; L67-F93 HydrophobicContact CD2-CE2 4.41Å; F89-F93 HydrophobicContact CE1-CB 4.35Å; F89-F93 HydrophobicContact CZ-CB 4.3Å; F89-F93 HydrophobicContact CZ-CD2 4.47Å; F89-F93 WeakPolarHBondContact O-CB 3.44Å; F89-F93 PolarHBondContact O-N 2.78Å; F93-Q95 VanDerWaalsContact C-N 3.28Å; F93-Q95 PolarHBondContact O-N 3.04Å; F93-F96 PolarHBondContact O-N 2.99Å; F93-F97 HydrophobicContact CE1-CB 4.45Å; F93-F97 HydrophobicContact CE1-CD2 4.38Å; F93-F97 HydrophobicContact CE1-CG 4.49Å; F93-F97 AromaticContact CE2-CD2 3.91Å; F93-F97 HydrophobicContact CE2-CD2 3.91Å; F93-F97 HydrophobicContact CZ-CB 4.32Å; F93-F97 AromaticContact CZ-CD2 3.54Å; F93-F97 HydrophobicContact CZ-CD2 3.54Å; F93-F97 HydrophobicContact CZ-CE2 4.13Å; F93-F97 HydrophobicContact CZ-CG 4.07Å; F93-F97 PolarHBondContact O-N 3.03Å; F93-F106 AromaticContact CD1-CD1 3.91Å; F93-F106 HydrophobicContact CD1-CD1 3.91Å; F93-F106 AromaticContact CD1-CE1 3.58Å; F93-F106 HydrophobicContact CD1-CE1 3.58Å; F93-F106 AromaticContact CE1-CD1 3.95Å; F93-F106 HydrophobicContact CE1-CD1 3.95Å; F93-F106 AromaticContact CE1-CE1 3.83Å; F93-F106 HydrophobicContact CE1-CE1 3.83Å
94	A	96.7	Very high	97.9	Very high	1 Å²	1	75.5 Å²	75.5	1%	0.008	36%	0.355	C	S	.	.	H	α-helix	trans	-61.2	-36.7	178.7	0	0	0	0	0	112.4	L90 Q91 T92 A103 F106 E107 I110	L90-A94 WeakPolarHBondContact O-CB 3.46Å; L90-A94 PolarHBondContact O-N 3.35Å; Q91-A94 WeakPolarHBondContact O-CB 3.35Å; Q91-A94 PolarHBondContact O-N 3.38Å; T92-A94 VanDerWaalsContact C-N 3.25Å; T92-A94 PolarHBondContact O-N 2.9Å; A94-A103 VanDerWaalsContact O-CB 3.22Å; A94-A103 WeakPolarHBondContact O-CB 3.39Å; A94-F106 HydrophobicContact CB-CD1 3.63Å; A94-F106 HydrophobicContact CB-CE1 4.22Å; A94-E107 HydrophobicContact CB-CB 4.46Å; A94-E107 HydrophobicContact CB-CG 3.48Å; A94-E107 VanDerWaalsContact CB-CG 3.48Å; A94-I110 HydrophobicContact CB-CD1 3.99Å
95	Q	96.3	Very high	97.8	Very high	123 Å²	123	72.7 Å²	72.7	58%	0.575	34%	0.343	S	S	*	.	H	α-helix	trans	-70.6	-33	178	-66.6	172.9	-0	0	0	113.5	Q91 T92 F93 E107	Q91-Q95 PolarHBondContact O-N 3.07Å; T92-Q95 WeakPolarHBondContact O-CB 3.18Å; T92-Q95 PolarHBondContact O-N 3.01Å; T92-Q95 VanDerWaalsContact O-N 3.08Å; F93-Q95 VanDerWaalsContact C-N 3.28Å; F93-Q95 PolarHBondContact O-N 3.04Å; Q95-E107 WeakPolarHBondContact CA-OE1 3.22Å; Q95-E107 WeakPolarHBondContact CG-OE1 3.49Å
96	F	97.7	Very high	97.8	Very high	154 Å²	154	70.3 Å²	70.3	68%	0.675	33%	0.33	S	S	*	.	H	α-helix	trans	-104.5	1.7	-172	-69.5	-72.3	0	0	0	114.2	T92 F93 P98	T92-F96 HydrophobicContact CG2-CD2 3.66Å; T92-F96 HydrophobicContact CG2-CE2 3.82Å; T92-F96 VanDerWaalsContact O-CD2 3.25Å; T92-F96 WeakPolarHBondContact O-CD2 3.47Å; T92-F96 PolarHBondContact O-N 3.02Å; T92-F96 VanDerWaalsContact O-N 3.16Å; F93-F96 PolarHBondContact O-N 2.99Å; F96-P98 WeakPolarHBondContact O-CD 3.43Å
97	F	98.1	Very high	97.7	Very high	32 Å²	32	72.3 Å²	72.3	14%	0.14	34%	0.339	C	S	.	.			trans	-66.2	122.2	178.9	-169.5	-114.8	0	0	0	110.9	L59 T63 F93 C99 C102 A103	L59-F97 HydrophobicContact CD2-CE2 4.27Å; L59-F97 HydrophobicContact CD2-CZ 4.21Å; L59-F97 HydrophobicContact CG-CE2 4.21Å; L59-F97 HydrophobicContact CG-CZ 4.23Å; T63-F97 HydrophobicContact CG2-CD2 4.32Å; T63-F97 HydrophobicContact CG2-CE2 3.73Å; T63-F97 HydrophobicContact CG2-CZ 4.46Å; T63-F97 WeakPolarHBondContact OG1-CE2 3.2Å; F93-F97 HydrophobicContact CE1-CB 4.45Å; F93-F97 HydrophobicContact CE1-CD2 4.38Å; F93-F97 HydrophobicContact CE1-CG 4.49Å; F93-F97 AromaticContact CE2-CD2 3.91Å; F93-F97 HydrophobicContact CE2-CD2 3.91Å; F93-F97 HydrophobicContact CZ-CB 4.32Å; F93-F97 AromaticContact CZ-CD2 3.54Å; F93-F97 HydrophobicContact CZ-CD2 3.54Å; F93-F97 HydrophobicContact CZ-CE2 4.13Å; F93-F97 HydrophobicContact CZ-CG 4.07Å; F93-F97 PolarHBondContact O-N 3.03Å; F97-C99 VanDerWaalsContact C-N 3.3Å; F97-C99 HydrophobicContact CD1-CB 4.15Å; F97-C99 HydrophobicContact CE1-CB 3.88Å; F97-C99 PolarHBondContact O-N 3.32Å; F97-C99 VanDerWaalsContact O-N 3.12Å; F97-C102 HydrophobicContact CD1-CB 3.82Å; F97-C102 HydrophobicContact CE1-CB 3.68Å; F97-A103 HydrophobicContact CB-CB 4.16Å
98	P	98.1	Very high	97.6	Very high	98 Å²	98	70.2 Å²	70.2	64%	0.636	34%	0.338	S	S	*	.	S	Bend	trans	-61.8	-30.3	-164.9	-27.9	34.9	0	0	0	115.6	L59 F96 R100	L59-P98 HydrophobicContact CD2-CB 4.12Å; L59-P98 HydrophobicContact CD2-CG 4.06Å; F96-P98 WeakPolarHBondContact O-CD 3.43Å; P98-R100 PolarHBondContact O-N 3.23Å; P98-R100 VanDerWaalsContact O-N 3.08Å
99	C	97.8	Very high	97.6	Very high	30 Å²	30	67.5 Å²	67.5	20%	0.203	33%	0.328	C	S	.	.	S	Bend	trans	-75.9	95.3	173	171	0	0	0	0	109.6	F97 Q101 C102 A103	F97-C99 VanDerWaalsContact C-N 3.3Å; F97-C99 HydrophobicContact CD1-CB 4.15Å; F97-C99 HydrophobicContact CE1-CB 3.88Å; F97-C99 PolarHBondContact O-N 3.32Å; F97-C99 VanDerWaalsContact O-N 3.12Å; C99-Q101 PolarHBondContact O-N 3.36Å; C99-C102 HydrophobicContact CB-CB 3.58Å; C99-C102 WeakPolarHBondContact CB-SG 3.46Å; C99-C102 CarbonylContact O-C 3.55Å; C99-C102 WeakPolarHBondContact O-CA 3.29Å; C99-C102 VanDerWaalsContact O-CB 3.29Å; C99-C102 WeakPolarHBondContact O-CB 3.33Å; C99-C102 PolarHBondContact O-N 3.08Å; C99-C102 WeakPolarHBondContact SG-CB 3.45Å; C99-C102 PolarHBondContact SG-N 3.31Å; C99-C102 CovalentContact SG-SG 2.05Å; C99-C102 PolarHBondContact SG-SG 2.83Å; C99-A103 PolarHBondContact O-N 3.05Å
100	R	96.8	Very high	97.5	Very high	197 Å²	197	64.8 Å²	64.8	74%	0.743	32%	0.317	S	S	*	.	H	α-helix	trans	-47.5	-49.7	-178.6	-78.2	-172.3	-83.4	-167.6	-5.4	114.4	P98 C102 A103 Y104	P98-R100 PolarHBondContact O-N 3.23Å; P98-R100 VanDerWaalsContact O-N 3.08Å; R100-C102 VanDerWaalsContact C-N 3.3Å; R100-C102 PolarHBondContact O-N 3.3Å; R100-A103 WeakPolarHBondContact O-CB 3.23Å; R100-A103 PolarHBondContact O-N 3.03Å; R100-Y104 HydrophobicContact CB-CE2 4.18Å; R100-Y104 WeakPolarHBondContact O-CD2 3Å; R100-Y104 PolarHBondContact O-N 2.96Å
101	Q	96.4	Very high	97.4	Very high	116 Å²	116	71.3 Å²	71.3	54%	0.542	35%	0.35	S	S	.	.	H	α-helix	trans	-62.1	-39.8	178.1	-176.1	60.6	50	0	0	112.1	C99 D105	C99-Q101 PolarHBondContact O-N 3.36Å; Q101-D105 PolarHBondContact NE2-OD1 2.78Å; Q101-D105 PolarHBondContact O-N 3.32Å; Q101-D105 VanDerWaalsContact O-N 3.07Å
102	C	97.7	Very high	97.4	Very high	29 Å²	29	71.9 Å²	71.9	20%	0.196	36%	0.359	C	S	.	.	H	α-helix	trans	-66.9	-38.7	178	-47.8	0	0	0	0	111.4	F97 C99 R100 F106	F97-C102 HydrophobicContact CD1-CB 3.82Å; F97-C102 HydrophobicContact CE1-CB 3.68Å; C99-C102 HydrophobicContact CB-CB 3.58Å; C99-C102 WeakPolarHBondContact CB-SG 3.46Å; C99-C102 CarbonylContact O-C 3.55Å; C99-C102 WeakPolarHBondContact O-CA 3.29Å; C99-C102 VanDerWaalsContact O-CB 3.29Å; C99-C102 WeakPolarHBondContact O-CB 3.33Å; C99-C102 PolarHBondContact O-N 3.08Å; C99-C102 WeakPolarHBondContact SG-CB 3.45Å; C99-C102 PolarHBondContact SG-N 3.31Å; C99-C102 CovalentContact SG-SG 2.05Å; C99-C102 PolarHBondContact SG-SG 2.83Å; R100-C102 VanDerWaalsContact C-N 3.3Å; R100-C102 PolarHBondContact O-N 3.3Å; C102-F106 WeakPolarHBondContact O-CB 3.48Å; C102-F106 PolarHBondContact O-N 3.4Å
103	A	97.8	Very high	97.4	Very high	7 Å²	7	72.8 Å²	72.8	6%	0.058	36%	0.359	C	S	.	.	H	α-helix	trans	-60.5	-53.7	174.5	0	0	0	0	0	111.2	A94 F97 C99 R100 D105 F106 E107	A94-A103 VanDerWaalsContact O-CB 3.22Å; A94-A103 WeakPolarHBondContact O-CB 3.39Å; F97-A103 HydrophobicContact CB-CB 4.16Å; C99-A103 PolarHBondContact O-N 3.05Å; R100-A103 WeakPolarHBondContact O-CB 3.23Å; R100-A103 PolarHBondContact O-N 3.03Å; A103-D105 VanDerWaalsContact C-N 3.3Å; A103-D105 PolarHBondContact O-N 3.25Å; A103-F106 PolarHBondContact O-N 2.85Å; A103-E107 WeakPolarHBondContact O-CG 3.44Å; A103-E107 PolarHBondContact O-N 3.43Å
104	Y	97.5	Very high	97.4	Very high	136 Å²	136	74.4 Å²	74.4	53%	0.533	37%	0.373	S	S	.	.	H	α-helix	trans	-58.5	-40.5	177.9	-70.5	-56.4	0	0	0	113	R100 F106 S108	R100-Y104 HydrophobicContact CB-CE2 4.18Å; R100-Y104 WeakPolarHBondContact O-CD2 3Å; R100-Y104 PolarHBondContact O-N 2.96Å; Y104-F106 VanDerWaalsContact C-N 3.33Å; Y104-S108 WeakPolarHBondContact O-CB 3.45Å; Y104-S108 PolarHBondContact O-N 3.01Å; Y104-S108 PolarHBondContact O-OG 3.43Å
105	D	97.2	Very high	97.5	Very high	42 Å²	42	75.4 Å²	75.4	23%	0.225	38%	0.38	C	S	.	.	H	α-helix	trans	-61.1	-43.9	174.6	-66.1	-31.1	0	0	0	110.9	Q101 A103 S108 N109 K137	Q101-D105 PolarHBondContact NE2-OD1 2.78Å; Q101-D105 PolarHBondContact O-N 3.32Å; Q101-D105 VanDerWaalsContact O-N 3.07Å; A103-D105 VanDerWaalsContact C-N 3.3Å; A103-D105 PolarHBondContact O-N 3.25Å; D105-S108 PolarHBondContact O-N 2.81Å; D105-N109 WeakPolarHBondContact O-CB 3.18Å; D105-N109 PolarHBondContact O-N 3.49Å; D105-N109 PolarHBondContact O-ND2 2.89Å; D105-K137 IonicContact OD1-NZ 3.95Å; D105-K137 PolarHBondContact OD1-NZ 2.99Å; D105-K137 IonicContact OD2-NZ 3.78Å; D105-K137 PolarHBondContact OD2-NZ 2.7Å
106	F	97.9	Very high	97.6	Very high	17 Å²	17	75.1 Å²	75.1	8%	0.075	38%	0.377	C	S	.	.	H	α-helix	trans	-70.7	-40.8	-178.9	-170	-122.4	0	0	0	112.7	F93 A94 C102 A103 Y104 S108 N109 I110 W126 Q130	F93-F106 AromaticContact CD1-CD1 3.91Å; F93-F106 HydrophobicContact CD1-CD1 3.91Å; F93-F106 AromaticContact CD1-CE1 3.58Å; F93-F106 HydrophobicContact CD1-CE1 3.58Å; F93-F106 AromaticContact CE1-CD1 3.95Å; F93-F106 HydrophobicContact CE1-CD1 3.95Å; F93-F106 AromaticContact CE1-CE1 3.83Å; F93-F106 HydrophobicContact CE1-CE1 3.83Å; A94-F106 HydrophobicContact CB-CD1 3.63Å; A94-F106 HydrophobicContact CB-CE1 4.22Å; C102-F106 WeakPolarHBondContact O-CB 3.48Å; C102-F106 PolarHBondContact O-N 3.4Å; A103-F106 PolarHBondContact O-N 2.85Å; Y104-F106 VanDerWaalsContact C-N 3.33Å; F106-S108 VanDerWaalsContact C-N 3.33Å; F106-S108 PolarHBondContact O-N 3.16Å; F106-N109 PolarHBondContact O-N 3.02Å; F106-I110 HydrophobicContact CD1-CD1 3.72Å; F106-I110 HydrophobicContact CE1-CD1 3.37Å; F106-I110 HydrophobicContact CE1-CG1 4.23Å; F106-I110 HydrophobicContact CE2-CD1 4.3Å; F106-I110 HydrophobicContact CE2-CG1 4.3Å; F106-I110 HydrophobicContact CG-CD1 4.31Å; F106-I110 HydrophobicContact CZ-CD1 3.71Å; F106-I110 HydrophobicContact CZ-CG1 4.12Å; F106-I110 WeakPolarHBondContact O-CG1 3.35Å; F106-I110 PolarHBondContact O-N 2.8Å; F106-W126 HydrophobicContact CE2-CH2 4.09Å; F106-W126 AromaticContact CZ-CH2 3.89Å; F106-W126 HydrophobicContact CZ-CH2 3.89Å; F106-W126 HydrophobicContact CZ-CZ3 4.46Å; F106-Q130 HydrophobicContact CE2-CB 4.23Å; F106-Q130 HydrophobicContact CE2-CG 4.21Å
107	E	97.5	Very high	97.6	Very high	61 Å²	61	68.4 Å²	68.4	29%	0.285	35%	0.348	S	S	.	.	H	α-helix	trans	-56.4	-48.1	171.8	-73.5	-176.7	160.4	0	0	111.1	A94 Q95 A103 N109 I110 I111	A94-E107 HydrophobicContact CB-CB 4.46Å; A94-E107 HydrophobicContact CB-CG 3.48Å; A94-E107 VanDerWaalsContact CB-CG 3.48Å; Q95-E107 WeakPolarHBondContact CA-OE1 3.22Å; Q95-E107 WeakPolarHBondContact CG-OE1 3.49Å; A103-E107 WeakPolarHBondContact O-CG 3.44Å; A103-E107 PolarHBondContact O-N 3.43Å; E107-N109 VanDerWaalsContact C-N 3.34Å; E107-N109 PolarHBondContact O-N 3.47Å; E107-I110 PolarHBondContact O-N 3.41Å; E107-I111 WeakPolarHBondContact O-CG1 3.38Å; E107-I111 PolarHBondContact O-N 3.23Å
108	S	97.5	Very high	97.6	Very high	66 Å²	66	72.1 Å²	72.1	46%	0.462	37%	0.369	S	S	.	.	H	α-helix	trans	-61.2	-44	177.8	-58.3	0	0	0	0	111.4	Y104 D105 F106 I110 I111 V112	Y104-S108 WeakPolarHBondContact O-CB 3.45Å; Y104-S108 PolarHBondContact O-N 3.01Å; Y104-S108 PolarHBondContact O-OG 3.43Å; D105-S108 PolarHBondContact O-N 2.81Å; F106-S108 VanDerWaalsContact C-N 3.33Å; F106-S108 PolarHBondContact O-N 3.16Å; S108-I110 PolarHBondContact O-N 3.38Å; S108-I111 PolarHBondContact O-N 3.13Å; S108-V112 WeakPolarHBondContact O-CG2 3.45Å; S108-V112 PolarHBondContact O-N 3.46Å; S108-V112 VanDerWaalsContact O-N 3.13Å
109	N	97.1	Very high	97.6	Very high	39 Å²	39	69 Å²	69	21%	0.209	35%	0.349	C	S	.	.	H	α-helix	trans	-66.4	-35.6	178.7	-70.7	-20.2	0	0	0	112.7	D105 F106 E107 I111 V112 H113 Q130 L133	D105-N109 WeakPolarHBondContact O-CB 3.18Å; D105-N109 PolarHBondContact O-N 3.49Å; D105-N109 PolarHBondContact O-ND2 2.89Å; F106-N109 PolarHBondContact O-N 3.02Å; E107-N109 VanDerWaalsContact C-N 3.34Å; E107-N109 PolarHBondContact O-N 3.47Å; N109-I111 VanDerWaalsContact C-N 3.26Å; N109-I111 PolarHBondContact O-N 3.43Å; N109-V112 PolarHBondContact O-N 2.87Å; N109-H113 CarbonylContact O-C 3.59Å; N109-H113 WeakPolarHBondContact O-CA 3.25Å; N109-H113 WeakPolarHBondContact O-CB 3.35Å; N109-H113 PolarHBondContact O-N 3.18Å; N109-Q130 VanDerWaalsContact CB-OE1 3.23Å; N109-L133 HydrophobicContact CB-CD1 4.37Å
110	I	97.3	Very high	97.6	Very high	16 Å²	16	68 Å²	68	8%	0.082	34%	0.342	C	S	.	.	H	α-helix	trans	-62.9	-35.3	174.9	-77.5	167.5	0	0	0	111.1	L90 A94 F106 E107 S108 H113 P114 W126	L90-I110 HydrophobicContact CB-CD1 4.39Å; A94-I110 HydrophobicContact CB-CD1 3.99Å; F106-I110 HydrophobicContact CD1-CD1 3.72Å; F106-I110 HydrophobicContact CE1-CD1 3.37Å; F106-I110 HydrophobicContact CE1-CG1 4.23Å; F106-I110 HydrophobicContact CE2-CD1 4.3Å; F106-I110 HydrophobicContact CE2-CG1 4.3Å; F106-I110 HydrophobicContact CG-CD1 4.31Å; F106-I110 HydrophobicContact CZ-CD1 3.71Å; F106-I110 HydrophobicContact CZ-CG1 4.12Å; F106-I110 WeakPolarHBondContact O-CG1 3.35Å; F106-I110 PolarHBondContact O-N 2.8Å; E107-I110 PolarHBondContact O-N 3.41Å; S108-I110 PolarHBondContact O-N 3.38Å; I110-H113 CarbonylContact O-C 3.4Å; I110-P114 VanDerWaalsContact O-CA 3.25Å; I110-P114 WeakPolarHBondContact O-CA 3.35Å; I110-W126 HydrophobicContact CG1-CH2 4.05Å; I110-W126 HydrophobicContact CG1-CZ2 4.02Å
111	I	96.8	Very high	97.6	Very high	136 Å²	136	63.7 Å²	63.7	70%	0.697	33%	0.333	S	S	*	.	H	α-helix	trans	-69.3	-48.1	177.4	-65.2	165.8	0	0	0	110.6	E107 S108 N109	E107-I111 WeakPolarHBondContact O-CG1 3.38Å; E107-I111 PolarHBondContact O-N 3.23Å; S108-I111 PolarHBondContact O-N 3.13Å; N109-I111 VanDerWaalsContact C-N 3.26Å; N109-I111 PolarHBondContact O-N 3.43Å
112	V	97.5	Very high	97.7	Very high	100 Å²	100	59.5 Å²	59.5	61%	0.606	32%	0.318	S	S	*	.	H	α-helix	trans	-73.2	-34.7	-177.3	179.6	0	0	0	0	112	S108 N109	S108-V112 WeakPolarHBondContact O-CG2 3.45Å; S108-V112 PolarHBondContact O-N 3.46Å; S108-V112 VanDerWaalsContact O-N 3.13Å; N109-V112 PolarHBondContact O-N 2.87Å
113	H	97.4	Very high	97.8	Very high	89 Å²	89	58.2 Å²	58.2	41%	0.412	31%	0.309	S	S	.	.	S	Bend	trans	-128	80.1	-179.4	-58.4	-54.9	0	0	0	109.8	N109 I110 W126	N109-H113 CarbonylContact O-C 3.59Å; N109-H113 WeakPolarHBondContact O-CA 3.25Å; N109-H113 WeakPolarHBondContact O-CB 3.35Å; N109-H113 PolarHBondContact O-N 3.18Å; I110-H113 CarbonylContact O-C 3.4Å; H113-W126 PolarHBondContact O-NE1 2.76Å
114	P	98	Very high	97.8	Very high	73 Å²	73	58 Å²	58	47%	0.474	31%	0.307	S	S	.	.			trans	-56.8	144.1	-178.4	-26.8	35.2	0	0	0	113.3	I110 K116 W126	I110-P114 VanDerWaalsContact O-CA 3.25Å; I110-P114 WeakPolarHBondContact O-CA 3.35Å; P114-K116 PolarHBondContact O-N 3.23Å; P114-W126 PolarHBondContact O-NE1 3.2Å
115	P	98.4	Very high	97.9	Very high	23 Å²	23	52.6 Å²	52.6	15%	0.149	29%	0.293	C	S	.	.			trans	-52.6	137.5	175.9	-25.9	32.7	0	0	0	112.8	L90 L117 W126	L90-P115 HydrophobicContact CD1-CB 3.67Å; L90-P115 HydrophobicContact CD1-CG 3.61Å; P115-L117 HydrophobicContact CB-CD1 4.29Å; P115-L117 HydrophobicContact CB-CD2 3.77Å; P115-L117 HydrophobicContact CB-CG 3.97Å; P115-W126 HydrophobicContact CB-CD2 4.32Å; P115-W126 HydrophobicContact CB-CE3 4.46Å; P115-W126 HydrophobicContact CB-CH2 4.35Å; P115-W126 HydrophobicContact CB-CZ2 4.19Å; P115-W126 HydrophobicContact CB-CZ3 4.48Å; P115-W126 HydrophobicContact CG-CH2 3.88Å; P115-W126 HydrophobicContact CG-CZ2 3.72Å; P115-W126 HydrophobicContact CG-CZ3 4.45Å
116	K	98.5	Very high	97.9	Very high	117 Å²	117	51.4 Å²	51.4	51%	0.509	29%	0.285	S	S	.	.			trans	-97.9	113.7	171.6	-58.2	-59.3	-174.5	178.9	0	108.4	P114 A122 L123 W126	P114-K116 PolarHBondContact O-N 3.23Å; K116-A122 HydrophobicContact CB-CB 3.92Å; K116-A122 CarbonylContact O-C 3.49Å; K116-L123 WeakPolarHBondContact O-CA 3.1Å; K116-L123 WeakPolarHBondContact O-CB 3.34Å; K116-L123 PolarHBondContact O-N 2.73Å; K116-L123 VanDerWaalsContact O-N 3.1Å; K116-W126 HydrophobicContact CB-CB 4.17Å; K116-W126 HydrophobicContact CG-CB 4.3Å
117	L	98.6	Very high	98	Very high	13 Å²	13	50.6 Å²	50.6	7%	0.068	28%	0.282	C	S	.	.			trans	-119.5	7.6	-166.2	-55.5	-178.9	0	0	0	112.7	Y74 P78 Q83 M86 K87 L90 P115 S119 L123	Y74-L117 WeakPolarHBondContact CE1-O 3.49Å; Y74-L117 PolarHBondContact OH-O 2.95Å; P78-L117 WeakPolarHBondContact CG-O 3.5Å; Q83-L117 HydrophobicContact CB-CB 4.19Å; Q83-L117 HydrophobicContact CG-CB 4.22Å; Q83-L117 WeakPolarHBondContact CG-O 3.16Å; Q83-L117 WeakPolarHBondContact O-CD1 3.45Å; M86-L117 HydrophobicContact CB-CD1 4.33Å; M86-L117 HydrophobicContact CB-CD2 4.2Å; M86-L117 HydrophobicContact CG-CD1 4.49Å; M86-L117 HydrophobicContact CG-CD2 3.57Å; K87-L117 HydrophobicContact CB-CD1 3.66Å; L90-L117 HydrophobicContact CD1-CD2 4.47Å; P115-L117 HydrophobicContact CB-CD1 4.29Å; P115-L117 HydrophobicContact CB-CD2 3.77Å; P115-L117 HydrophobicContact CB-CG 3.97Å; L117-S119 PolarHBondContact O-N 3.41Å; L117-L123 HydrophobicContact CD2-CD1 3.77Å
118	D	97.9	Very high	98	Very high	109 Å²	109	47.9 Å²	47.9	58%	0.583	27%	0.27	S	S	*	.	S	Bend	trans	-74.1	-16.8	-172.8	-49.2	-67.2	0	0	0	113.2	P78	P78-D118 VanDerWaalsContact CD-O 3.27Å; P78-D118 WeakPolarHBondContact CD-O 3.37Å
119	S	97.9	Very high	98.1	Very high	32 Å²	32	50 Å²	50	22%	0.224	27%	0.274	C	S	.	.	S	Bend	trans	-164.7	165.9	176.6	63.4	0	0	0	0	112	I76 L117 N121 A122 L123	I76-S119 WeakPolarHBondContact O-CA 3.34Å; I76-S119 WeakPolarHBondContact O-CB 3.34Å; L117-S119 PolarHBondContact O-N 3.41Å; S119-N121 VanDerWaalsContact C-N 3.27Å; S119-N121 PolarHBondContact O-N 3.33Å; S119-A122 PolarHBondContact O-N 2.94Å; S119-A122 VanDerWaalsContact O-N 3.16Å; S119-A122 WeakPolarHBondContact OG-CB 3.27Å; S119-A122 PolarHBondContact OG-N 3.44Å; S119-L123 PolarHBondContact O-N 3.44Å
120	R	97.2	Very high	98.2	Very high	11 Å²	11	48.3 Å²	48.3	4%	0.042	27%	0.265	C	S	.	.	H	α-helix	trans	-44.4	-49	166.1	-171.5	-177.1	-65.2	159.7	2.1	113.3	D13 A72 Y74 P75 S124 R153	D13-R120 IonicContact OD1-CZ 3.01Å; D13-R120 IonicContact OD1-NH1 2.62Å; D13-R120 IonicContact OD1-NH2 2.63Å; D13-R120 PolarHBondContact OD1-NH2 3.24Å; D13-R120 IonicContact OD2-NH2 3.93Å; D13-R120 PolarHBondContact OD2-NH2 2.89Å; A72-R120 WeakPolarHBondContact O-CD 3.36Å; A72-R120 WeakPolarHBondContact O-CG 3.48Å; A72-R120 PolarHBondContact O-NE 3.46Å; Y74-R120 VanDerWaalsContact O-CB 3.29Å; Y74-R120 WeakPolarHBondContact O-CB 3.15Å; Y74-R120 WeakPolarHBondContact O-CG 3.38Å; Y74-R120 PolarHBondContact O-NE 3.4Å; P75-R120 PolarHBondContact O-N 3.49Å; R120-S124 VanDerWaalsContact O-CB 3.24Å; R120-S124 WeakPolarHBondContact O-CB 3.33Å; R120-S124 PolarHBondContact O-N 2.87Å; R120-S124 PolarHBondContact O-OG 2.95Å; R120-R153 VanDerWaalsContact CZ-CZ 3.46Å; R120-R153 VanDerWaalsContact NE-NH1 3.16Å; R120-R153 VanDerWaalsContact NH1-CZ 3.32Å
121	N	97.7	Very high	98.2	Very high	106 Å²	106	49.5 Å²	49.5	57%	0.567	27%	0.269	S	S	*	.	H	α-helix	trans	-66.4	-42	-178.1	-70.6	0.3	0	0	0	111.3	S119 G125 L149	S119-N121 VanDerWaalsContact C-N 3.27Å; S119-N121 PolarHBondContact O-N 3.33Å; N121-G125 PolarHBondContact O-N 3.4Å; N121-L149 VanDerWaalsContact OD1-CD1 3.25Å; N121-L149 WeakPolarHBondContact OD1-CD1 2.96Å
122	A	98.5	Very high	98.3	Very high	28 Å²	28	43.8 Å²	43.8	23%	0.231	24%	0.24	C	C	.	.	H	α-helix	trans	-63.1	-46.7	179.3	0	0	0	0	0	111.4	K116 S119 W126	K116-A122 HydrophobicContact CB-CB 3.92Å; K116-A122 CarbonylContact O-C 3.49Å; S119-A122 PolarHBondContact O-N 2.94Å; S119-A122 VanDerWaalsContact O-N 3.16Å; S119-A122 WeakPolarHBondContact OG-CB 3.27Å; S119-A122 PolarHBondContact OG-N 3.44Å; A122-W126 VanDerWaalsContact O-CB 3.32Å; A122-W126 WeakPolarHBondContact O-CB 3.33Å; A122-W126 PolarHBondContact O-N 3.23Å
123	L	98.8	Very high	98.4	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.005	23%	0.226	C	C	.	.	H	α-helix	trans	-68	-44.8	179.2	176	59.1	0	0	0	111.9	A71 Y74 M86 L90 K116 L117 S119 G125 W126 L127	A71-L123 HydrophobicContact CB-CD2 4.13Å; A71-L123 HydrophobicContact CB-CG 3.85Å; Y74-L123 HydrophobicContact CD1-CB 4.18Å; Y74-L123 HydrophobicContact CD1-CD2 3.79Å; Y74-L123 HydrophobicContact CD2-CD2 3.98Å; Y74-L123 HydrophobicContact CE1-CD2 4.29Å; Y74-L123 HydrophobicContact CE2-CD2 4.49Å; Y74-L123 HydrophobicContact CG-CD2 3.61Å; M86-L123 HydrophobicContact CE-CD2 3.93Å; M86-L123 HydrophobicContact CG-CD1 4.49Å; M86-L123 HydrophobicContact CG-CD2 3.92Å; M86-L123 HydrophobicContact SD-CD2 4.04Å; L90-L123 HydrophobicContact CD1-CD1 4.29Å; K116-L123 WeakPolarHBondContact O-CA 3.1Å; K116-L123 WeakPolarHBondContact O-CB 3.34Å; K116-L123 PolarHBondContact O-N 2.73Å; K116-L123 VanDerWaalsContact O-N 3.1Å; L117-L123 HydrophobicContact CD2-CD1 3.77Å; S119-L123 PolarHBondContact O-N 3.44Å; L123-G125 PolarHBondContact O-N 3.26Å; L123-W126 HydrophobicContact CD1-CE3 4.15Å; L123-W126 PolarHBondContact O-N 2.05Å; L123-L127 WeakPolarHBondContact O-CB 3.07Å; L123-L127 PolarHBondContact O-N 3.12Å
124	S	98.7	Very high	98.4	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.014	22%	0.22	C	C	.	.	H	α-helix	trans	-62.5	-44.1	179	-59.7	0	0	0	0	111.7	A71 R120 L127 C128	A71-S124 PolarHBondContact O-OG 3.07Å; R120-S124 VanDerWaalsContact O-CB 3.24Å; R120-S124 WeakPolarHBondContact O-CB 3.33Å; R120-S124 PolarHBondContact O-N 2.87Å; R120-S124 PolarHBondContact O-OG 2.95Å; S124-L127 PolarHBondContact O-N 3.3Å; S124-C128 WeakPolarHBondContact O-CB 3.36Å; S124-C128 PolarHBondContact O-N 3.09Å
125	G	98.6	Very high	98.4	Very high	23 Å²	23	37.1 Å²	37.1	24%	0.237	20%	0.202	C	C	.	.	H	α-helix	trans	-64.4	-44.5	175.7	0	0	0	0	0	112.5	N121 L123 L127 C128 M129	N121-G125 PolarHBondContact O-N 3.4Å; L123-G125 PolarHBondContact O-N 3.26Å; G125-L127 PolarHBondContact O-N 3.03Å; G125-C128 WeakPolarHBondContact O-CB 3.29Å; G125-C128 PolarHBondContact O-N 3.03Å; G125-M129 WeakPolarHBondContact O-CG 3.33Å; G125-M129 PolarHBondContact O-N 3.45Å
126	W	98.8	Very high	98.4	Very high	17 Å²	17	43.8 Å²	43.8	6%	0.064	23%	0.228	C	C	.	.	H	α-helix	trans	-59.2	-46.9	175.1	175.1	87.7	0	0	0	111.5	L90 F106 I110 H113 P114 P115 K116 A122 L123 C128 M129 Q130	L90-W126 HydrophobicContact CD1-CE3 4.49Å; L90-W126 HydrophobicContact CD1-CH2 4Å; L90-W126 HydrophobicContact CD1-CZ3 3.72Å; L90-W126 HydrophobicContact CD2-CZ3 4.19Å; F106-W126 HydrophobicContact CE2-CH2 4.09Å; F106-W126 AromaticContact CZ-CH2 3.89Å; F106-W126 HydrophobicContact CZ-CH2 3.89Å; F106-W126 HydrophobicContact CZ-CZ3 4.46Å; I110-W126 HydrophobicContact CG1-CH2 4.05Å; I110-W126 HydrophobicContact CG1-CZ2 4.02Å; H113-W126 PolarHBondContact O-NE1 2.76Å; P114-W126 PolarHBondContact O-NE1 3.2Å; P115-W126 HydrophobicContact CB-CD2 4.32Å; P115-W126 HydrophobicContact CB-CE3 4.46Å; P115-W126 HydrophobicContact CB-CH2 4.35Å; P115-W126 HydrophobicContact CB-CZ2 4.19Å; P115-W126 HydrophobicContact CB-CZ3 4.48Å; P115-W126 HydrophobicContact CG-CH2 3.88Å; P115-W126 HydrophobicContact CG-CZ2 3.72Å; P115-W126 HydrophobicContact CG-CZ3 4.45Å; K116-W126 HydrophobicContact CB-CB 4.17Å; K116-W126 HydrophobicContact CG-CB 4.3Å; A122-W126 VanDerWaalsContact O-CB 3.32Å; A122-W126 WeakPolarHBondContact O-CB 3.33Å; A122-W126 PolarHBondContact O-N 3.23Å; L123-W126 HydrophobicContact CD1-CE3 4.15Å; L123-W126 PolarHBondContact O-N 2.05Å; W126-C128 VanDerWaalsContact C-N 3.32Å; W126-C128 PolarHBondContact O-N 3.08Å; W126-M129 WeakPolarHBondContact O-CB 3.46Å; W126-M129 PolarHBondContact O-N 3.34Å; W126-M129 VanDerWaalsContact O-N 3.15Å; W126-Q130 HydrophobicContact CD2-CG 3.86Å; W126-Q130 HydrophobicContact CE3-CG 4.04Å; W126-Q130 HydrophobicContact CH2-CG 3.68Å; W126-Q130 HydrophobicContact CZ2-CG 3.48Å; W126-Q130 VanDerWaalsContact CZ2-CG 3.48Å; W126-Q130 HydrophobicContact CZ3-CG 3.95Å; W126-Q130 WeakPolarHBondContact O-CG 3.49Å; W126-Q130 PolarHBondContact O-N 2.81Å
127	L	98.8	Very high	98.3	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	23%	0.23	C	C	.	.	H	α-helix	trans	-66.1	-35.8	-179.4	-171.8	69.2	0	0	0	112	W64 L67 H68 A71 L123 S124 G125 Q130 H131	W64-L127 HydrophobicContact CZ3-CD1 3.92Å; W64-L127 HydrophobicContact CZ3-CG 4.39Å; L67-L127 HydrophobicContact CB-CD1 4.34Å; L67-L127 HydrophobicContact CB-CD2 3.75Å; L67-L127 HydrophobicContact CD1-CD1 4.49Å; L67-L127 WeakPolarHBondContact O-CD2 3.4Å; H68-L127 HydrophobicContact CB-CD2 4.39Å; A71-L127 HydrophobicContact CB-CD2 3.85Å; L123-L127 WeakPolarHBondContact O-CB 3.07Å; L123-L127 PolarHBondContact O-N 3.12Å; S124-L127 PolarHBondContact O-N 3.3Å; G125-L127 PolarHBondContact O-N 3.03Å; L127-Q130 PolarHBondContact O-N 2.98Å; L127-H131 PolarHBondContact O-N 3.05Å
128	C	98.9	Very high	98.2	Very high	3 Å²	3	47.9 Å²	47.9	2%	0.02	25%	0.249	C	C	.	.	H	α-helix	trans	-60.2	-45.5	171.1	177.8	0	0	0	0	111.8	S124 G125 W126 Q130 H131 N132 C145 V148	S124-C128 WeakPolarHBondContact O-CB 3.36Å; S124-C128 PolarHBondContact O-N 3.09Å; G125-C128 WeakPolarHBondContact O-CB 3.29Å; G125-C128 PolarHBondContact O-N 3.03Å; W126-C128 VanDerWaalsContact C-N 3.32Å; W126-C128 PolarHBondContact O-N 3.08Å; C128-Q130 VanDerWaalsContact C-N 3.34Å; C128-Q130 PolarHBondContact O-N 2.89Å; C128-H131 PolarHBondContact O-N 2.88Å; C128-N132 WeakPolarHBondContact O-CB 3.46Å; C128-N132 PolarHBondContact O-N 3.19Å; C128-C145 HydrophobicContact CB-CB 3.79Å; C128-C145 WeakPolarHBondContact CB-SG 3Å; C128-C145 WeakPolarHBondContact SG-CA 3.47Å; C128-C145 WeakPolarHBondContact SG-CB 3.3Å; C128-C145 CovalentContact SG-SG 2.04Å; C128-C145 PolarHBondContact SG-SG 2.64Å; C128-V148 HydrophobicContact CB-CB 4.34Å; C128-V148 HydrophobicContact CB-CG2 3.96Å
129	M	98.5	Very high	98.2	Very high	112 Å²	112	46 Å²	46	55%	0.552	26%	0.256	S	S	*	.	H	α-helix	trans	-60.5	-42.6	175.4	-72.5	-68.5	-65.3	0	0	111.9	G125 W126 H131 N132 L133	G125-M129 WeakPolarHBondContact O-CG 3.33Å; G125-M129 PolarHBondContact O-N 3.45Å; W126-M129 WeakPolarHBondContact O-CB 3.46Å; W126-M129 PolarHBondContact O-N 3.34Å; W126-M129 VanDerWaalsContact O-N 3.15Å; M129-H131 PolarHBondContact O-N 2.78Å; M129-N132 WeakPolarHBondContact O-CB 3.44Å; M129-N132 PolarHBondContact O-N 3.49Å; M129-N132 VanDerWaalsContact O-N 3.16Å; M129-L133 WeakPolarHBondContact O-CG 3.25Å; M129-L133 PolarHBondContact O-N 3.28Å
130	Q	98.6	Very high	98.3	Very high	3 Å²	3	50.1 Å²	50.1	1%	0.014	27%	0.27	C	S	.	.	H	α-helix	trans	-59.8	-45.1	174.5	-66	-55	-41.6	0	0	112.2	F106 N109 W126 L127 C128 N132 L133 V134	F106-Q130 HydrophobicContact CE2-CB 4.23Å; F106-Q130 HydrophobicContact CE2-CG 4.21Å; N109-Q130 VanDerWaalsContact CB-OE1 3.23Å; W126-Q130 HydrophobicContact CD2-CG 3.86Å; W126-Q130 HydrophobicContact CE3-CG 4.04Å; W126-Q130 HydrophobicContact CH2-CG 3.68Å; W126-Q130 HydrophobicContact CZ2-CG 3.48Å; W126-Q130 VanDerWaalsContact CZ2-CG 3.48Å; W126-Q130 HydrophobicContact CZ3-CG 3.95Å; W126-Q130 WeakPolarHBondContact O-CG 3.49Å; W126-Q130 PolarHBondContact O-N 2.81Å; L127-Q130 PolarHBondContact O-N 2.98Å; C128-Q130 VanDerWaalsContact C-N 3.34Å; C128-Q130 PolarHBondContact O-N 2.89Å; Q130-N132 VanDerWaalsContact C-N 3.27Å; Q130-N132 PolarHBondContact O-N 3.09Å; Q130-L133 WeakPolarHBondContact O-CB 3.24Å; Q130-L133 PolarHBondContact O-N 2.97Å; Q130-V134 PolarHBondContact O-N 3.42Å
131	H	98.7	Very high	98.3	Very high	40 Å²	40	55 Å²	55	19%	0.185	30%	0.303	C	S	.	.	H	α-helix	trans	-63.4	-36.6	176.6	-164.5	179.1	0	0	0	111.2	W64 H68 L127 C128 M129 V134 N135	W64-H131 AromaticContact CD1-CD2 3.97Å; W64-H131 AromaticContact CD1-CE1 3.68Å; W64-H131 AromaticContact CD1-NE2 3.36Å; W64-H131 HydrophobicContact CD2-CB 4.45Å; W64-H131 AromaticContact CD2-CD2 3.81Å; W64-H131 AromaticContact CD2-CE1 3.84Å; W64-H131 AromaticContact CD2-CG 3.82Å; W64-H131 AromaticContact CD2-ND1 3.85Å; W64-H131 AromaticContact CD2-NE2 3.86Å; W64-H131 AromaticContact CE2-CD2 3.48Å; W64-H131 VanDerWaalsContact CE2-CD2 3.48Å; W64-H131 AromaticContact CE2-CG 3.88Å; W64-H131 AromaticContact CE2-NE2 3.74Å; W64-H131 HydrophobicContact CE3-CB 4.19Å; W64-H131 AromaticContact CE3-CG 4Å; W64-H131 AromaticContact CG-CE1 3.53Å; W64-H131 AromaticContact CG-ND1 3.97Å; W64-H131 AromaticContact CG-NE2 3.66Å; W64-H131 HydrophobicContact CH2-CB 4.07Å; W64-H131 HydrophobicContact CZ2-CB 4.31Å; W64-H131 AromaticContact CZ2-CD2 3.85Å; W64-H131 HydrophobicContact CZ3-CB 3.99Å; W64-H131 AromaticContact NE1-CD2 3.58Å; W64-H131 AromaticContact NE1-NE2 3.41Å; W64-H131 PolarHBondContact NE1-NE2 2.85Å; H68-H131 AromaticContact CD2-ND1 3.93Å; H68-H131 AromaticContact NE2-CG 3.89Å; H68-H131 AromaticContact NE2-ND1 3.23Å; H68-H131 PolarHBondContact NE2-ND1 2.9Å; L127-H131 PolarHBondContact O-N 3.05Å; C128-H131 PolarHBondContact O-N 2.88Å; M129-H131 PolarHBondContact O-N 2.78Å; H131-V134 WeakPolarHBondContact O-CB 3.34Å; H131-V134 PolarHBondContact O-N 2.81Å; H131-N135 PolarHBondContact O-N 3.07Å; H131-N135 PolarHBondContact O-ND2 2.93Å
132	N	98.8	Very high	98.4	Very high	16 Å²	16	55.4 Å²	55.4	9%	0.086	30%	0.304	C	S	.	.	H	α-helix	trans	-66.8	-33.1	174.9	-85.1	-17.4	0	0	0	113.9	C128 M129 Q130 V134 N135 K136 L142 F143	C128-N132 WeakPolarHBondContact O-CB 3.46Å; C128-N132 PolarHBondContact O-N 3.19Å; M129-N132 WeakPolarHBondContact O-CB 3.44Å; M129-N132 PolarHBondContact O-N 3.49Å; M129-N132 VanDerWaalsContact O-N 3.16Å; Q130-N132 VanDerWaalsContact C-N 3.27Å; Q130-N132 PolarHBondContact O-N 3.09Å; N132-V134 VanDerWaalsContact C-N 3.29Å; N132-V134 PolarHBondContact O-N 3.21Å; N132-N135 PolarHBondContact O-N 3.31Å; N132-N135 PolarHBondContact OD1-ND2 3.46Å; N132-K136 WeakPolarHBondContact O-CB 2.95Å; N132-K136 PolarHBondContact O-N 3.38Å; N132-L142 HydrophobicContact CB-CD2 4.13Å; N132-F143 PolarHBondContact ND2-O 3.49Å; N132-F143 PolarHBondContact OD1-N 2.85Å
133	L	98.2	Very high	98.4	Very high	59 Å²	59	57.4 Å²	57.4	31%	0.309	31%	0.308	S	S	.	.	H	α-helix	trans	-60.1	-42.9	170.2	-66.2	174.1	0	0	0	110.8	N109 M129 Q130 K137	N109-L133 HydrophobicContact CB-CD1 4.37Å; M129-L133 WeakPolarHBondContact O-CG 3.25Å; M129-L133 PolarHBondContact O-N 3.28Å; Q130-L133 WeakPolarHBondContact O-CB 3.24Å; Q130-L133 PolarHBondContact O-N 2.97Å; L133-K137 WeakPolarHBondContact O-CB 3.39Å; L133-K137 PolarHBondContact O-N 3.22Å
134	V	98.1	Very high	98.3	Very high	47 Å²	47	61.5 Å²	61.5	29%	0.285	33%	0.33	S	S	.	.	H	α-helix	trans	-66.2	-46.7	175.2	178.6	0	0	0	0	111.1	W64 Q130 H131 N132 K136 K137 I138	W64-V134 HydrophobicContact CZ2-CG2 4.09Å; Q130-V134 PolarHBondContact O-N 3.42Å; H131-V134 WeakPolarHBondContact O-CB 3.34Å; H131-V134 PolarHBondContact O-N 2.81Å; N132-V134 VanDerWaalsContact C-N 3.29Å; N132-V134 PolarHBondContact O-N 3.21Å; V134-K136 VanDerWaalsContact C-N 3.34Å; V134-K136 PolarHBondContact O-N 2.92Å; V134-K137 WeakPolarHBondContact O-CB 3.32Å; V134-K137 PolarHBondContact O-N 3.03Å; V134-K137 VanDerWaalsContact O-N 3.1Å; V134-I138 HydrophobicContact CG1-CD1 4.34Å; V134-I138 WeakPolarHBondContact O-CG1 3.23Å; V134-I138 PolarHBondContact O-N 2.05Å
135	N	98.4	Very high	98.3	Very high	17 Å²	17	62.9 Å²	62.9	9%	0.091	34%	0.339	C	S	.	.	H	α-helix	trans	-55.4	-49.1	177.6	-75	-29.2	0	0	0	111.3	H131 N132 K137 I138 G139 K140	H131-N135 PolarHBondContact O-N 3.07Å; H131-N135 PolarHBondContact O-ND2 2.93Å; N132-N135 PolarHBondContact O-N 3.31Å; N132-N135 PolarHBondContact OD1-ND2 3.46Å; N135-K137 VanDerWaalsContact C-N 3.33Å; N135-K137 PolarHBondContact O-N 3Å; N135-I138 CarbonylContact O-C 3.42Å; N135-I138 PolarHBondContact O-N 3.4Å; N135-G139 PolarHBondContact O-N 3.19Å; N135-K140 HydrophobicContact CB-CB 3.87Å; N135-K140 PolarHBondContact O-N 3.22Å
136	K	98.2	Very high	98.2	Very high	162 Å²	162	66.4 Å²	66.4	70%	0.704	36%	0.356	S	S	*	.	H	α-helix	trans	-57	-46.4	175.5	-174.6	175.9	179.8	179.5	0	111.5	N132 V134 I138 G139 L142	N132-K136 WeakPolarHBondContact O-CB 2.95Å; N132-K136 PolarHBondContact O-N 3.38Å; V134-K136 VanDerWaalsContact C-N 3.34Å; V134-K136 PolarHBondContact O-N 2.92Å; K136-I138 VanDerWaalsContact C-N 3.26Å; K136-I138 PolarHBondContact O-N 2.86Å; K136-G139 PolarHBondContact O-N 2.87Å; K136-L142 HydrophobicContact CB-CD2 4.16Å
137	K	97.1	Very high	98.1	Very high	126 Å²	126	71.1 Å²	71.1	55%	0.548	37%	0.374	S	S	.	.	H	α-helix	trans	-59.4	-35.7	179.3	-177	173.8	-176.2	173.1	0	112.7	D105 L133 V134 N135	D105-K137 IonicContact OD1-NZ 3.95Å; D105-K137 PolarHBondContact OD1-NZ 2.99Å; D105-K137 IonicContact OD2-NZ 3.78Å; D105-K137 PolarHBondContact OD2-NZ 2.7Å; L133-K137 WeakPolarHBondContact O-CB 3.39Å; L133-K137 PolarHBondContact O-N 3.22Å; V134-K137 WeakPolarHBondContact O-CB 3.32Å; V134-K137 PolarHBondContact O-N 3.03Å; V134-K137 VanDerWaalsContact O-N 3.1Å; N135-K137 VanDerWaalsContact C-N 3.33Å; N135-K137 PolarHBondContact O-N 3Å
138	I	96.8	Very high	98	Very high	91 Å²	91	71.6 Å²	71.6	47%	0.467	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.2	15.1	-177.7	71.9	-179.3	0	0	0	113.7	V134 N135 K136 K140	V134-I138 HydrophobicContact CG1-CD1 4.34Å; V134-I138 WeakPolarHBondContact O-CG1 3.23Å; V134-I138 PolarHBondContact O-N 2.05Å; N135-I138 CarbonylContact O-C 3.42Å; N135-I138 PolarHBondContact O-N 3.4Å; K136-I138 VanDerWaalsContact C-N 3.26Å; K136-I138 PolarHBondContact O-N 2.86Å; I138-K140 VanDerWaalsContact C-N 3.31Å; I138-K140 HydrophobicContact CD1-CD 3.75Å; I138-K140 HydrophobicContact CD1-CG 4.23Å; I138-K140 HydrophobicContact CG1-CB 4.37Å; I138-K140 HydrophobicContact CG1-CD 4.05Å; I138-K140 HydrophobicContact CG1-CG 3.98Å; I138-K140 PolarHBondContact O-N 3.11Å
139	G	98	Very high	97.8	Very high	70 Å²	70	72.3 Å²	72.3	72%	0.722	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.6	24	175.9	0	0	0	0	0	114.9	N135 K136	N135-G139 PolarHBondContact O-N 3.19Å; K136-G139 PolarHBondContact O-N 2.87Å
140	K	98.2	Very high	97.6	Very high	118 Å²	118	68.3 Å²	68.3	51%	0.513	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-89.6	152.4	172.9	-74.8	-177.4	-171.9	-62.7	0	111.4	N135 I138	N135-K140 HydrophobicContact CB-CB 3.87Å; N135-K140 PolarHBondContact O-N 3.22Å; I138-K140 VanDerWaalsContact C-N 3.31Å; I138-K140 HydrophobicContact CD1-CD 3.75Å; I138-K140 HydrophobicContact CD1-CG 4.23Å; I138-K140 HydrophobicContact CG1-CB 4.37Å; I138-K140 HydrophobicContact CG1-CD 4.05Å; I138-K140 HydrophobicContact CG1-CG 3.98Å; I138-K140 PolarHBondContact O-N 3.11Å
141	P	98.5	Very high	97.4	Very high	113 Å²	113	73.2 Å²	73.2	73%	0.734	38%	0.379	S	S	*	.	P	Polyproline II helix	trans	-55.4	148	171.1	-23.6	33.9	0	0	0	111.9
142	L	98.6	Very high	97.2	Very high	114 Å²	114	73.1 Å²	73.1	60%	0.597	38%	0.377	S	S	*	.	P	Polyproline II helix	trans	-72.9	139.6	170.3	-55.2	-177.2	0	0	0	109.2	N132 K136	N132-L142 HydrophobicContact CB-CD2 4.13Å; K136-L142 HydrophobicContact CB-CD2 4.16Å
143	F	98.6	Very high	96.9	Very high	70 Å²	70	73.4 Å²	73.4	31%	0.307	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-84.4	138.9	169.7	-174.9	-89.3	0	0	0	109.5	N132 C145 R151 W156	N132-F143 PolarHBondContact ND2-O 3.49Å; N132-F143 PolarHBondContact OD1-N 2.85Å; F143-C145 PolarHBondContact O-N 3.26Å; F143-R151 HydrophobicContact CE2-CB 4.48Å; F143-R151 HydrophobicContact CE2-CG 4.44Å; F143-R151 HydrophobicContact CZ-CB 3.9Å; F143-R151 HydrophobicContact CZ-CG 4.28Å; F143-W156 HydrophobicContact CE2-CH2 4.46Å; F143-W156 HydrophobicContact CZ-CH2 4.38Å
144	D	98.1	Very high	96.4	Very high	88 Å²	88	76.6 Å²	76.6	47%	0.471	39%	0.386	S	S	.	.			trans	-77.8	107.3	174.6	-175.1	-1	0	0	0	110.5	T146 Y147	D144-T146 VanDerWaalsContact CG-OG1 3.24Å; D144-T146 PolarHBondContact O-N 2.89Å; D144-T146 VanDerWaalsContact O-N 3.1Å; D144-T146 PolarHBondContact OD1-N 3.33Å; D144-T146 PolarHBondContact OD1-OG1 3.31Å; D144-T146 PolarHBondContact OD2-OG1 3.27Å; D144-Y147 HydrophobicContact CB-CD2 3.94Å; D144-Y147 HydrophobicContact CB-CE2 4.39Å; D144-Y147 PolarHBondContact O-N 3.11Å; D144-Y147 VanDerWaalsContact O-N 3.08Å; D144-Y147 WeakPolarHBondContact OD2-CE2 3.4Å
145	C	98.4	Very high	95.8	Very high	30 Å²	30	75 Å²	75	20%	0.203	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	-66.6	-11.1	-173.7	-62.3	0	0	0	0	114	C128 F143 Y147 V148	C128-C145 HydrophobicContact CB-CB 3.79Å; C128-C145 WeakPolarHBondContact CB-SG 3Å; C128-C145 WeakPolarHBondContact SG-CA 3.47Å; C128-C145 WeakPolarHBondContact SG-CB 3.3Å; C128-C145 CovalentContact SG-SG 2.04Å; C128-C145 PolarHBondContact SG-SG 2.64Å; F143-C145 PolarHBondContact O-N 3.26Å; C145-Y147 PolarHBondContact O-N 3.49Å; C145-V148 WeakPolarHBondContact O-CG1 3.49Å; C145-V148 PolarHBondContact O-N 2.81Å
146	T	96.3	Very high	95.3	Very high	98 Å²	98	78.7 Å²	78.7	60%	0.601	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-64.9	-21.7	171.3	62.2	0	0	0	0	112.5	D144	D144-T146 VanDerWaalsContact CG-OG1 3.24Å; D144-T146 PolarHBondContact O-N 2.89Å; D144-T146 VanDerWaalsContact O-N 3.1Å; D144-T146 PolarHBondContact OD1-N 3.33Å; D144-T146 PolarHBondContact OD1-OG1 3.31Å; D144-T146 PolarHBondContact OD2-OG1 3.27Å
147	Y	96.1	Very high	94.3	Very high	115 Å²	115	78.8 Å²	78.8	45%	0.451	39%	0.393	S	S	.	.	G	3₁₀ helix	trans	-103.1	15	179.9	-60.4	-72.5	0	0	0	113.8	D144 C145 L149 E150 R151 W156	D144-Y147 HydrophobicContact CB-CD2 3.94Å; D144-Y147 HydrophobicContact CB-CE2 4.39Å; D144-Y147 PolarHBondContact O-N 3.11Å; D144-Y147 VanDerWaalsContact O-N 3.08Å; D144-Y147 WeakPolarHBondContact OD2-CE2 3.4Å; C145-Y147 PolarHBondContact O-N 3.49Å; Y147-L149 VanDerWaalsContact C-N 3.31Å; Y147-L149 PolarHBondContact O-N 3.43Å; Y147-E150 WeakPolarHBondContact CA-OE2 3.1Å; Y147-E150 PolarHBondContact O-N 3.39Å; Y147-R151 WeakPolarHBondContact O-CB 3.42Å; Y147-R151 PolarHBondContact O-N 3.13Å; Y147-W156 HydrophobicContact CD1-CZ3 4.49Å; Y147-W156 HydrophobicContact CG-CZ3 4.34Å
148	V	97.6	Very high	93.4	Very high	11 Å²	11	80.5 Å²	80.5	7%	0.067	41%	0.408	C	S	.	.	H	α-helix	trans	-62.6	-38.1	-174.7	68.5	0	0	0	0	111.9	C128 C145 R151 W152	C128-V148 HydrophobicContact CB-CB 4.34Å; C128-V148 HydrophobicContact CB-CG2 3.96Å; C145-V148 WeakPolarHBondContact O-CG1 3.49Å; C145-V148 PolarHBondContact O-N 2.81Å; V148-R151 PolarHBondContact O-N 3.16Å; V148-W152 WeakPolarHBondContact O-CB 3.36Å; V148-W152 PolarHBondContact O-N 3.28Å; V148-W152 VanDerWaalsContact O-N 3.13Å
149	L	94.9	Very high	92.1	Very high	19 Å²	19	81.9 Å²	81.9	10%	0.099	41%	0.41	C	S	.	.	H	α-helix	trans	-80.7	-31.9	-179.3	-67.5	179.3	0	0	0	112.6	A72 N121 Y147 R151 W152 R153 Y154	A72-L149 HydrophobicContact CB-CD2 3.91Å; N121-L149 VanDerWaalsContact OD1-CD1 3.25Å; N121-L149 WeakPolarHBondContact OD1-CD1 2.96Å; Y147-L149 VanDerWaalsContact C-N 3.31Å; Y147-L149 PolarHBondContact O-N 3.43Å; L149-R151 VanDerWaalsContact C-N 3.29Å; L149-R151 PolarHBondContact O-N 2.99Å; L149-W152 PolarHBondContact O-N 2.99Å; L149-R153 CarbonylContact O-C 3.56Å; L149-R153 WeakPolarHBondContact O-CA 3.2Å; L149-R153 WeakPolarHBondContact O-CB 3.28Å; L149-R153 PolarHBondContact O-N 2.91Å; L149-Y154 HydrophobicContact CB-CD2 3.7Å; L149-Y154 HydrophobicContact CB-CE2 3.72Å; L149-Y154 HydrophobicContact CD1-CE2 3.96Å; L149-Y154 HydrophobicContact CG-CE2 4.39Å; L149-Y154 PolarHBondContact O-N 2.66Å
150	E	92.6	Very high	90.5	Very high	27 Å²	27	84.4 Å²	84.4	13%	0.126	41%	0.407	C	S	.	.	I	π-helix	trans	-57.6	-46.2	167.8	-73.9	84.7	162.9	0	0	110.2	Y147 W152 G155 W156 K157	Y147-E150 WeakPolarHBondContact CA-OE2 3.1Å; Y147-E150 PolarHBondContact O-N 3.39Å; E150-W152 PolarHBondContact O-N 2.78Å; E150-G155 WeakPolarHBondContact CA-O 3.35Å; E150-G155 WeakPolarHBondContact CB-O 3.44Å; E150-G155 CarbonylContact O-C 3.35Å; E150-G155 WeakPolarHBondContact O-CA 3.35Å; E150-G155 PolarHBondContact O-N 2.94Å; E150-W156 HydrophobicContact CB-CE3 4.04Å; E150-W156 HydrophobicContact CB-CZ3 4.3Å; E150-K157 IonicContact OE1-NZ 2.64Å
151	R	95	Very high	88.9	Confident	107 Å²	107	84.7 Å²	84.7	40%	0.404	41%	0.414	S	S	.	.	I	π-helix	trans	-66.6	-37.3	-179.3	176.5	58.6	-174	75.9	2.6	113.5	F143 Y147 V148 L149 W156	F143-R151 HydrophobicContact CE2-CB 4.48Å; F143-R151 HydrophobicContact CE2-CG 4.44Å; F143-R151 HydrophobicContact CZ-CB 3.9Å; F143-R151 HydrophobicContact CZ-CG 4.28Å; Y147-R151 WeakPolarHBondContact O-CB 3.42Å; Y147-R151 PolarHBondContact O-N 3.13Å; V148-R151 PolarHBondContact O-N 3.16Å; L149-R151 VanDerWaalsContact C-N 3.29Å; L149-R151 PolarHBondContact O-N 2.99Å; R151-W156 HydrophobicContact CB-CH2 4.15Å; R151-W156 HydrophobicContact CB-CZ2 4.15Å; R151-W156 HydrophobicContact CG-CZ2 4.49Å
152	W	95.2	Very high	87.5	Confident	38 Å²	38	81.3 Å²	81.3	14%	0.144	39%	0.393	C	S	.	.	I	π-helix	trans	-115.9	-7.7	-166.5	-61.7	115.5	0	0	0	115.6	T65 H68 A72 V148 L149 E150	T65-W152 HydrophobicContact CG2-CZ3 4.07Å; H68-W152 HydrophobicContact CB-CB 4.22Å; H68-W152 HydrophobicContact CB-CD2 3.36Å; H68-W152 HydrophobicContact CB-CE3 3.94Å; H68-W152 HydrophobicContact CB-CG 3.49Å; H68-W152 VanDerWaalsContact CB-CG 3.49Å; H68-W152 HydrophobicContact CB-CH2 4.49Å; H68-W152 HydrophobicContact CB-CZ2 3.99Å; H68-W152 HydrophobicContact CB-CZ3 4.48Å; H68-W152 AromaticContact CD2-CE2 3.79Å; H68-W152 AromaticContact CD2-CZ2 3.78Å; H68-W152 AromaticContact CD2-NE1 3.74Å; H68-W152 AromaticContact CG-CD1 3.7Å; H68-W152 AromaticContact CG-CE2 3.52Å; H68-W152 AromaticContact CG-CZ2 3.98Å; H68-W152 AromaticContact CG-NE1 3.29Å; H68-W152 VanDerWaalsContact CG-NE1 3.29Å; H68-W152 AromaticContact ND1-CD1 3.81Å; H68-W152 AromaticContact ND1-NE1 3.6Å; A72-W152 HydrophobicContact CB-CB 4.07Å; V148-W152 WeakPolarHBondContact O-CB 3.36Å; V148-W152 PolarHBondContact O-N 3.28Å; V148-W152 VanDerWaalsContact O-N 3.13Å; L149-W152 PolarHBondContact O-N 2.99Å; E150-W152 PolarHBondContact O-N 2.78Å
153	R	91.6	Very high	85.9	Confident	21 Å²	21	80.8 Å²	80.8	8%	0.079	39%	0.386	C	S	.	.	I	π-helix	trans	-134.1	-62.6	178.3	-176.9	173.7	-178.8	123.7	2.1	113.2	A72 R120 L149	A72-R153 HydrophobicContact CB-CB 3.94Å; A72-R153 WeakPolarHBondContact O-CD 3.3Å; A72-R153 PolarHBondContact O-NH1 3.27Å; R120-R153 VanDerWaalsContact CZ-CZ 3.46Å; R120-R153 VanDerWaalsContact NE-NH1 3.16Å; R120-R153 VanDerWaalsContact NH1-CZ 3.32Å; L149-R153 CarbonylContact O-C 3.56Å; L149-R153 WeakPolarHBondContact O-CA 3.2Å; L149-R153 WeakPolarHBondContact O-CB 3.28Å; L149-R153 PolarHBondContact O-N 2.91Å
154	Y	87.6	Confident	84.2	Confident	126 Å²	126	78 Å²	78	49%	0.494	37%	0.374	S	S	.	.	I	π-helix	trans	-87.9	-21.9	-163	-59.8	-56.8	0	0	0	114.4	L149	L149-Y154 HydrophobicContact CB-CD2 3.7Å; L149-Y154 HydrophobicContact CB-CE2 3.72Å; L149-Y154 HydrophobicContact CD1-CE2 3.96Å; L149-Y154 HydrophobicContact CG-CE2 4.39Å; L149-Y154 PolarHBondContact O-N 2.66Å
155	G	86.6	Confident	82.3	Confident	15 Å²	15	75.4 Å²	75.4	16%	0.155	36%	0.363	C	S	.	.			trans	84.1	171.6	-166.8	0	0	0	0	0	112	E150	E150-G155 WeakPolarHBondContact CA-O 3.35Å; E150-G155 WeakPolarHBondContact CB-O 3.44Å; E150-G155 CarbonylContact O-C 3.35Å; E150-G155 WeakPolarHBondContact O-CA 3.35Å; E150-G155 PolarHBondContact O-N 2.94Å
156	W	87.7	Confident	80.3	Confident	93 Å²	93	80.4 Å²	80.4	35%	0.352	38%	0.383	S	S	.	.			trans	-84.2	128.5	-177.8	-56	102.4	0	0	0	110.3	F143 Y147 E150 R151 D158 K159	F143-W156 HydrophobicContact CE2-CH2 4.46Å; F143-W156 HydrophobicContact CZ-CH2 4.38Å; Y147-W156 HydrophobicContact CD1-CZ3 4.49Å; Y147-W156 HydrophobicContact CG-CZ3 4.34Å; E150-W156 HydrophobicContact CB-CE3 4.04Å; E150-W156 HydrophobicContact CB-CZ3 4.3Å; R151-W156 HydrophobicContact CB-CH2 4.15Å; R151-W156 HydrophobicContact CB-CZ2 4.15Å; R151-W156 HydrophobicContact CG-CZ2 4.49Å; W156-D158 VanDerWaalsContact C-N 3.31Å; W156-D158 PolarHBondContact O-N 2.86Å; W156-K159 HydrophobicContact CB-CB 4.04Å; W156-K159 HydrophobicContact CB-CD 4.35Å; W156-K159 HydrophobicContact CB-CG 4.13Å; W156-K159 HydrophobicContact CG-CD 4.39Å; W156-K159 PolarHBondContact O-N 2.79Å
157	K	77.8	Confident	78.4	Confident	165 Å²	165	79.4 Å²	79.4	72%	0.717	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-38.6	-177.9	-63.4	179	-175.3	171.1	0	113.4	E150	E150-K157 IonicContact OE1-NZ 2.64Å
158	D	77.7	Confident	76.1	Confident	161 Å²	161	84.7 Å²	84.7	86%	0.861	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	5.7	-171.2	-49.7	-38	0	0	0	113.4	W156	W156-D158 VanDerWaalsContact C-N 3.31Å; W156-D158 PolarHBondContact O-N 2.86Å
159	K	68.2	Low	75	Confident	120 Å²	120	88.4 Å²	88.4	52%	0.522	42%	0.424	S	S	.	.			trans	-119.6	125.5	177.1	-56.7	-171.9	177.3	-176.8	0	108.4	W156 D161	W156-K159 HydrophobicContact CB-CB 4.04Å; W156-K159 HydrophobicContact CB-CD 4.35Å; W156-K159 HydrophobicContact CB-CG 4.13Å; W156-K159 HydrophobicContact CG-CD 4.39Å; W156-K159 PolarHBondContact O-N 2.79Å; K159-D161 HydrophobicContact CB-CB 4.25Å; K159-D161 PolarHBondContact O-N 2.72Å; K159-D161 VanDerWaalsContact O-N 3.09Å
160	D	66.4	Low	73.9	Confident	123 Å²	123	92 Å²	92	66%	0.658	44%	0.441	S	S	*	.	S	Bend	trans	-63.1	-13.9	171.6	-64.4	-45	0	0	0	111.9	C162 K163	D160-C162 PolarHBondContact O-N 3.35Å; D160-C162 VanDerWaalsContact O-N 3.11Å; D160-K163 PolarHBondContact O-N 2.6Å; D160-K163 WeakPolarHBondContact OD1-CE 3.44Å; D160-K163 IonicContact OD1-NZ 2.85Å; D160-K163 PolarHBondContact OD1-NZ 2.77Å
161	D	62.7	Low	72.9	Confident	124 Å²	124	95.6 Å²	95.6	66%	0.663	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	109.8	167	-83.6	-25.3	0	0	0	110.6	K159	K159-D161 HydrophobicContact CB-CB 4.25Å; K159-D161 PolarHBondContact O-N 2.72Å; K159-D161 VanDerWaalsContact O-N 3.09Å
162	C	69.2	Low	71.6	Confident	43 Å²	43	94.9 Å²	94.9	29%	0.291	46%	0.462	S	S	.	.	T	Hydrogen-bonded Turn	trans	102.2	-3.1	178	-57	0	0	0	0	117	R28 D160 L164	R28-C162 PolarHBondContact NH1-O 3.16Å; D160-C162 PolarHBondContact O-N 3.35Å; D160-C162 VanDerWaalsContact O-N 3.11Å; C162-L164 PolarHBondContact O-N 3.09Å
163	K	65.5	Low	70.1	Confident	102 Å²	102	98.5 Å²	98.5	44%	0.443	48%	0.482	S	S	.	.	P	Polyproline II helix	trans	-58.2	128.6	169	-74.7	-175.5	177.6	168	0	110	D160	D160-K163 PolarHBondContact O-N 2.6Å; D160-K163 WeakPolarHBondContact OD1-CE 3.44Å; D160-K163 IonicContact OD1-NZ 2.85Å; D160-K163 PolarHBondContact OD1-NZ 2.77Å
164	L	62.3	Low	68.7	Low	11 Å²	11	103.7 Å²	103.7	6%	0.058	51%	0.509	C	S	.	.	P	Polyproline II helix	trans	-81.5	154.1	172.8	-64.3	162.1	0	0	0	109	P21 F26 L33 C162 E166 Q167	P21-L164 HydrophobicContact CB-CB 3.73Å; P21-L164 HydrophobicContact CB-CD1 3.75Å; P21-L164 HydrophobicContact CB-CG 4.34Å; P21-L164 HydrophobicContact CG-CB 4.38Å; P21-L164 HydrophobicContact CG-CD1 4.39Å; F26-L164 HydrophobicContact CD1-CD1 3.47Å; F26-L164 VanDerWaalsContact CD1-CD1 3.47Å; F26-L164 HydrophobicContact CE1-CD1 3.05Å; F26-L164 HydrophobicContact CE1-CD2 4.39Å; F26-L164 HydrophobicContact CE1-CG 4.32Å; F26-L164 HydrophobicContact CE2-CD1 4.44Å; F26-L164 HydrophobicContact CG-CD1 4.34Å; F26-L164 HydrophobicContact CZ-CD1 3.58Å; F26-L164 HydrophobicContact CZ-CD2 4.44Å; L33-L164 HydrophobicContact CD2-CD2 3.63Å; C162-L164 PolarHBondContact O-N 3.09Å; L164-E166 PolarHBondContact O-N 2.96Å; L164-Q167 HydrophobicContact CB-CG 4.42Å; L164-Q167 PolarHBondContact O-N 2.81Å
165	P	58.3	Low	67.4	Low	35 Å²	35	102.1 Å²	102.1	23%	0.227	51%	0.51	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.2	132.9	170.6	12.3	-22.4	0	0	0	110.1	F36 L38	F36-P165 HydrophobicContact CB-CG 4.43Å; F36-P165 HydrophobicContact CD1-CG 4.15Å; L38-P165 HydrophobicContact CB-CG 4.48Å; L38-P165 HydrophobicContact CD1-CB 3.41Å; L38-P165 VanDerWaalsContact CD1-CB 3.41Å; L38-P165 HydrophobicContact CD1-CG 3.55Å
166	E	57.7	Low	65.9	Low	134 Å²	134	108.8 Å²	108.8	63%	0.626	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	75	15	174.8	-41.1	179.1	178	0	0	116.7	K22 L164 D168	K22-E166 HydrophobicContact CD-CB 4.5Å; K22-E166 VanDerWaalsContact CE-O 3.28Å; K22-E166 WeakPolarHBondContact CE-O 3.28Å; K22-E166 WeakPolarHBondContact CE-OE2 3.4Å; K22-E166 IonicContact NZ-OE2 3.07Å; K22-E166 PolarHBondContact NZ-OE2 2.64Å; L164-E166 PolarHBondContact O-N 2.96Å; E166-D168 PolarHBondContact O-N 3.31Å
167	Q	55.1	Low	64.1	Low	78 Å²	78	110.1 Å²	110.1	36%	0.364	55%	0.553	S	S	.	*			trans	-90.4	83.1	159.7	-69.8	-176.7	-29	0	0	109.4	P21 L164	P21-Q167 PolarHBondContact O-NE2 2.69Å; L164-Q167 HydrophobicContact CB-CG 4.42Å; L164-Q167 PolarHBondContact O-N 2.81Å
168	D	47.9	Very low	62.8	Low	225 Å²	225	105.1 Å²	105.1	100%	1.203	54%	0.538	S	S	*	.			trans	-77.2	0	169.7	-73.1	-24.6	0	0	0	111.8	E166	E166-D168 PolarHBondContact O-N 3.31Å

Retrieved 168 of 168 residues in 43.4 ms (Link to these results)

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