A0A5K4F4U1_SCHMA Loading...

P4Ha_N domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F4U1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 148 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	35.3	Very low	40.4	Very low	225 Å²	225	127.6 Å²	127.6	100%	1.108	61%	0.605	S	S	*	*				0	69.3	0	-69.1	173.6	172.6	0	0	110.5
2	K	35.2	Very low	40.8	Very low	196 Å²	196	119.6 Å²	119.6	85%	0.852	57%	0.568	S	S	*	*			trans	-92.4	-10.1	-173.8	-83.8	-175.7	173.1	179.6	0	115.3
3	M	34.3	Very low	41.1	Very low	169 Å²	169	110.8 Å²	110.8	83%	0.833	53%	0.528	S	S	*	.	S	Bend	trans	-89.4	-14.1	-166.9	-76.5	173	55.3	0	0	116.2
4	W	34.2	Very low	41.3	Very low	215 Å²	215	118.6 Å²	118.6	81%	0.814	55%	0.549	S	S	*	.	S	Bend	trans	-94.4	-5.9	-176.5	-71.3	85.9	0	0	0	113.9
5	I	41.9	Very low	41.4	Very low	29 Å²	29	124.6 Å²	124.6	15%	0.149	57%	0.565	C	S	.	*	H	α-helix	trans	-76.7	-40.9	-169.4	-62.4	168.8	0	0	0	112	L9 I130	I5-L9 HydrophobicContact CG2-CD1 4.44Å; I5-I130 HydrophobicContact CG1-CD1 4.42Å; I5-I130 HydrophobicContact CG2-CD1 4.03Å; I5-I130 HydrophobicContact CG2-CG2 4.25Å
6	E	40.3	Very low	41.7	Very low	132 Å²	132	119.8 Å²	119.8	62%	0.617	54%	0.543	S	S	*	.	H	α-helix	trans	-71.8	-44.7	-174.9	-81.6	171	169.9	0	0	114.4	F8 L10	E6-F8 VanDerWaalsContact C-N 3.27Å; E6-F8 PolarHBondContact O-N 3.21Å; E6-L10 WeakPolarHBondContact O-CB 3.34Å; E6-L10 WeakPolarHBondContact O-CD1 3.4Å; E6-L10 WeakPolarHBondContact O-CG 3.26Å; E6-L10 PolarHBondContact O-N 3.45Å; E6-L10 VanDerWaalsContact O-N 3.08Å
7	P	39.9	Very low	41.4	Very low	72 Å²	72	116.8 Å²	116.8	47%	0.468	55%	0.553	S	S	.	*	H	α-helix	trans	-63.2	-33	-176.3	-22.5	32.8	0	0	0	113.5	L11	P7-L11 WeakPolarHBondContact O-CB 3.24Å; P7-L11 PolarHBondContact O-N 3.49Å
8	F	45.6	Very low	41.3	Very low	119 Å²	119	113.6 Å²	113.6	52%	0.522	54%	0.536	S	S	.	.	H	α-helix	trans	-79.5	-43.1	-172.8	-138	-90.4	0	0	0	112.6	E6 L10 L11 L12	E6-F8 VanDerWaalsContact C-N 3.27Å; E6-F8 PolarHBondContact O-N 3.21Å; F8-L10 VanDerWaalsContact C-N 3.31Å; F8-L11 WeakPolarHBondContact O-CB 3.28Å; F8-L11 PolarHBondContact O-N 2.88Å; F8-L11 VanDerWaalsContact O-N 3.14Å; F8-L12 PolarHBondContact O-N 2.97Å
9	L	43.8	Very low	41.2	Very low	38 Å²	38	113.9 Å²	113.9	20%	0.199	55%	0.551	C	S	.	*	H	α-helix	trans	-59.9	-44.3	169.6	-91.4	165.3	0	0	0	110.7	I5 L11 L12 C13 L127	I5-L9 HydrophobicContact CG2-CD1 4.44Å; L9-L11 VanDerWaalsContact C-N 3.25Å; L9-L11 PolarHBondContact O-N 2.8Å; L9-L12 PolarHBondContact O-N 3.06Å; L9-C13 VanDerWaalsContact O-CB 3.24Å; L9-C13 WeakPolarHBondContact O-CB 3.07Å; L9-C13 PolarHBondContact O-N 3.13Å; L9-C13 PolarHBondContact O-SG 3.31Å; L9-L127 HydrophobicContact CD1-CD2 3.93Å; L9-L127 HydrophobicContact CD2-CD1 4.26Å; L9-L127 HydrophobicContact CD2-CD2 3.4Å; L9-L127 VanDerWaalsContact CD2-CD2 3.4Å; L9-L127 HydrophobicContact CD2-CG 4.48Å; L9-L127 HydrophobicContact CG-CD2 3.58Å
10	L	46.7	Very low	41.1	Very low	108 Å²	108	110.8 Å²	110.8	57%	0.565	54%	0.539	S	S	*	.	H	α-helix	trans	-61	-33	174.8	-72.8	169.3	0	0	0	112.7	E6 F8 R14	E6-L10 WeakPolarHBondContact O-CB 3.34Å; E6-L10 WeakPolarHBondContact O-CD1 3.4Å; E6-L10 WeakPolarHBondContact O-CG 3.26Å; E6-L10 PolarHBondContact O-N 3.45Å; E6-L10 VanDerWaalsContact O-N 3.08Å; F8-L10 VanDerWaalsContact C-N 3.31Å; L10-R14 WeakPolarHBondContact O-CB 3.5Å; L10-R14 PolarHBondContact O-N 3.42Å
11	L	47.6	Very low	41.2	Very low	101 Å²	101	110.1 Å²	110.1	53%	0.529	55%	0.545	S	S	.	.	H	α-helix	trans	-67	-47.4	174.6	-98.7	157.4	0	0	0	112.2	P7 F8 L9 R14 W15	P7-L11 WeakPolarHBondContact O-CB 3.24Å; P7-L11 PolarHBondContact O-N 3.49Å; F8-L11 WeakPolarHBondContact O-CB 3.28Å; F8-L11 PolarHBondContact O-N 2.88Å; F8-L11 VanDerWaalsContact O-N 3.14Å; L9-L11 VanDerWaalsContact C-N 3.25Å; L9-L11 PolarHBondContact O-N 2.8Å; L11-R14 PolarHBondContact O-N 2.61Å; L11-W15 WeakPolarHBondContact O-CB 3.05Å; L11-W15 PolarHBondContact O-N 3.33Å
12	L	44.7	Very low	41.4	Very low	31 Å²	31	104.3 Å²	104.3	16%	0.162	52%	0.519	C	S	.	.	H	α-helix	trans	-62.5	-49.3	175.5	-79.1	167.6	0	0	0	110.7	F8 L9 R14 W15 F16 L127	F8-L12 PolarHBondContact O-N 2.97Å; L9-L12 PolarHBondContact O-N 3.06Å; L12-R14 VanDerWaalsContact C-N 3.32Å; L12-R14 PolarHBondContact O-N 2.94Å; L12-W15 WeakPolarHBondContact O-CB 3.14Å; L12-W15 PolarHBondContact O-N 2.93Å; L12-W15 VanDerWaalsContact O-N 3.09Å; L12-F16 HydrophobicContact CD2-CD2 4.45Å; L12-F16 HydrophobicContact CD2-CE2 3.97Å; L12-F16 WeakPolarHBondContact O-CD2 3.43Å; L12-F16 PolarHBondContact O-N 2.77Å; L12-L127 HydrophobicContact CD1-CD1 4.33Å
13	C	45	Very low	41.7	Very low	6 Å²	6	98 Å²	98	4%	0.041	50%	0.497	C	S	.	.	H	α-helix	trans	-60.3	-41.1	177.8	-67.6	0	0	0	0	111.5	L9 W15 F16 G17 F18 V20	L9-C13 VanDerWaalsContact O-CB 3.24Å; L9-C13 WeakPolarHBondContact O-CB 3.07Å; L9-C13 PolarHBondContact O-N 3.13Å; L9-C13 PolarHBondContact O-SG 3.31Å; C13-W15 VanDerWaalsContact C-N 3.35Å; C13-W15 PolarHBondContact O-N 2.74Å; C13-F16 CarbonylContact O-C 3.38Å; C13-F16 PolarHBondContact O-N 2.76Å; C13-G17 CarbonylContact O-C 3.56Å; C13-G17 WeakPolarHBondContact O-CA 3.13Å; C13-G17 PolarHBondContact O-N 3.41Å; C13-F18 CarbonylContact C-O 3.53Å; C13-F18 HydrophobicContact CB-CB 3.97Å; C13-F18 VanDerWaalsContact CB-O 3.26Å; C13-F18 WeakPolarHBondContact CB-O 3.23Å; C13-F18 PolarHBondContact O-N 3.41Å; C13-V20 HydrophobicContact CB-CG2 4.3Å; C13-V20 WeakPolarHBondContact SG-CG2 3.31Å
14	R	43.3	Very low	42.2	Very low	220 Å²	220	94.3 Å²	94.3	83%	0.83	48%	0.484	S	S	*	.	H	α-helix	trans	-66.8	-33.4	174.4	-172.7	174	-179.2	172.8	1	113.1	L10 L11 L12	L10-R14 WeakPolarHBondContact O-CB 3.5Å; L10-R14 PolarHBondContact O-N 3.42Å; L11-R14 PolarHBondContact O-N 2.61Å; L12-R14 VanDerWaalsContact C-N 3.32Å; L12-R14 PolarHBondContact O-N 2.94Å
15	W	43.1	Very low	42.7	Very low	208 Å²	208	87.6 Å²	87.6	79%	0.788	46%	0.461	S	S	*	.	H	α-helix	trans	-70.7	-34.6	173.9	-105.5	25.3	0	0	0	112.9	L11 L12 C13	L11-W15 WeakPolarHBondContact O-CB 3.05Å; L11-W15 PolarHBondContact O-N 3.33Å; L12-W15 WeakPolarHBondContact O-CB 3.14Å; L12-W15 PolarHBondContact O-N 2.93Å; L12-W15 VanDerWaalsContact O-N 3.09Å; C13-W15 VanDerWaalsContact C-N 3.35Å; C13-W15 PolarHBondContact O-N 2.74Å
16	F	46.7	Very low	42.7	Very low	48 Å²	48	88.5 Å²	88.5	21%	0.211	47%	0.466	C	S	.	.	H	α-helix	trans	-97.8	-1.9	-179.2	-70.2	-71.3	0	0	0	114.2	L12 C13 F18 V33 Q36 L37	L12-F16 HydrophobicContact CD2-CD2 4.45Å; L12-F16 HydrophobicContact CD2-CE2 3.97Å; L12-F16 WeakPolarHBondContact O-CD2 3.43Å; L12-F16 PolarHBondContact O-N 2.77Å; C13-F16 CarbonylContact O-C 3.38Å; C13-F16 PolarHBondContact O-N 2.76Å; F16-F18 HydrophobicContact CB-CD2 3.75Å; F16-F18 HydrophobicContact CB-CE2 3.98Å; F16-V33 HydrophobicContact CD2-CG1 4.42Å; F16-V33 HydrophobicContact CD2-CG2 4.44Å; F16-V33 HydrophobicContact CE2-CG1 4.29Å; F16-Q36 HydrophobicContact CD1-CB 4.45Å; F16-Q36 VanDerWaalsContact CD1-OE1 3.22Å; F16-Q36 HydrophobicContact CE1-CB 4.44Å; F16-L37 HydrophobicContact CZ-CD1 4.19Å
17	G	36.7	Very low	42.9	Very low	69 Å²	69	84.3 Å²	84.3	71%	0.711	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.2	17.3	178.3	0	0	0	0	0	115.8	C13	C13-G17 CarbonylContact O-C 3.56Å; C13-G17 WeakPolarHBondContact O-CA 3.13Å; C13-G17 PolarHBondContact O-N 3.41Å
18	F	39.7	Very low	43.2	Very low	58 Å²	58	87.9 Å²	87.9	25%	0.254	46%	0.462	S	S	.	.			trans	-87.7	132.5	176.4	-69.3	-81.6	0	0	0	111.3	C13 F16 S32 V33	C13-F18 CarbonylContact C-O 3.53Å; C13-F18 HydrophobicContact CB-CB 3.97Å; C13-F18 VanDerWaalsContact CB-O 3.26Å; C13-F18 WeakPolarHBondContact CB-O 3.23Å; C13-F18 PolarHBondContact O-N 3.41Å; F16-F18 HydrophobicContact CB-CD2 3.75Å; F16-F18 HydrophobicContact CB-CE2 3.98Å; F18-S32 WeakPolarHBondContact CZ-OG 3.15Å; F18-V33 HydrophobicContact CD2-CG2 4.32Å; F18-V33 HydrophobicContact CE2-CG2 4.2Å
19	C	39.1	Very low	43.5	Very low	121 Å²	121	82.7 Å²	82.7	82%	0.818	44%	0.441	S	S	*	.			trans	-98.3	119.7	158.5	-75.8	0	0	0	0	106.4
20	V	39.4	Very low	43.8	Very low	50 Å²	50	82.4 Å²	82.4	30%	0.303	44%	0.437	S	S	.	.			trans	-98.8	105.1	177.4	-180	0	0	0	0	107.2	C13 I26	C13-V20 HydrophobicContact CB-CG2 4.3Å; C13-V20 WeakPolarHBondContact SG-CG2 3.31Å; V20-I26 HydrophobicContact CG1-CD1 4.03Å; V20-I26 HydrophobicContact CG1-CG1 3.3Å
21	S	43.6	Very low	44.3	Very low	97 Å²	97	82.2 Å²	82.2	68%	0.678	43%	0.433	S	S	*	.			trans	-100.3	-29.5	174.3	27.7	0	0	0	0	112.8	E25	S21-E25 WeakPolarHBondContact CA-OE2 3.42Å; S21-E25 PolarHBondContact N-OE2 2.65Å; S21-E25 PolarHBondContact OG-OE2 3.4Å
22	D	39.3	Very low	44.8	Very low	104 Å²	104	79.1 Å²	79.1	56%	0.556	42%	0.42	S	S	*	.	S	Bend	trans	-128.7	145.8	-176	-109.2	-35.5	0	0	0	112.7	T24 E25 I26	D22-T24 PolarHBondContact O-N 3.2Å; D22-E25 HydrophobicContact CB-CG 4.13Å; D22-E25 PolarHBondContact N-OE2 3.31Å; D22-E25 WeakPolarHBondContact O-CA 3.45Å; D22-E25 VanDerWaalsContact O-CB 3.24Å; D22-E25 WeakPolarHBondContact O-CB 3.39Å; D22-E25 PolarHBondContact O-N 3.07Å; D22-I26 PolarHBondContact O-N 3.14Å
23	T	41.2	Very low	45.2	Very low	63 Å²	63	78.4 Å²	78.4	39%	0.387	42%	0.417	S	S	.	.	H	α-helix	trans	-63	-27.3	-177.7	49.6	0	0	0	0	113.1	E25 I26	T23-E25 VanDerWaalsContact C-N 3.28Å; T23-E25 PolarHBondContact O-N 3.49Å; T23-I26 HydrophobicContact CG2-CD1 4.05Å; T23-I26 VanDerWaalsContact O-CB 3.23Å; T23-I26 WeakPolarHBondContact O-CB 3.32Å; T23-I26 PolarHBondContact O-N 2.95Å
24	T	44.3	Very low	45.8	Very low	91 Å²	91	82.7 Å²	82.7	56%	0.558	44%	0.435	S	S	*	.	H	α-helix	trans	-65.8	-29.6	170.5	-4.6	0	0	0	0	112.5	D22 I26 S27	D22-T24 PolarHBondContact O-N 3.2Å; T24-I26 VanDerWaalsContact C-N 3.28Å; T24-S27 PolarHBondContact O-OG 3.39Å; T24-S27 VanDerWaalsContact O-OG 3.09Å
25	E	43.9	Very low	46.7	Very low	74 Å²	74	78.1 Å²	78.1	35%	0.346	42%	0.423	S	S	.	.	H	α-helix	trans	-73.4	-21.8	171	-57.9	177.7	143.4	0	0	111.1	S21 D22 T23 S29	S21-E25 WeakPolarHBondContact CA-OE2 3.42Å; S21-E25 PolarHBondContact N-OE2 2.65Å; S21-E25 PolarHBondContact OG-OE2 3.4Å; D22-E25 HydrophobicContact CB-CG 4.13Å; D22-E25 PolarHBondContact N-OE2 3.31Å; D22-E25 WeakPolarHBondContact O-CA 3.45Å; D22-E25 VanDerWaalsContact O-CB 3.24Å; D22-E25 WeakPolarHBondContact O-CB 3.39Å; D22-E25 PolarHBondContact O-N 3.07Å; T23-E25 VanDerWaalsContact C-N 3.28Å; T23-E25 PolarHBondContact O-N 3.49Å; E25-S29 WeakPolarHBondContact O-CA 3.39Å; E25-S29 WeakPolarHBondContact O-CB 3.45Å; E25-S29 PolarHBondContact O-N 2.76Å; E25-S29 PolarHBondContact O-OG 3.19Å
26	I	41.9	Very low	47.4	Very low	48 Å²	48	71.4 Å²	71.4	25%	0.246	40%	0.4	C	S	.	.	H	α-helix	trans	-66.6	-43.1	175.3	-59	173.9	0	0	0	111	V20 D22 T23 T24 S29 Y30	V20-I26 HydrophobicContact CG1-CD1 4.03Å; V20-I26 HydrophobicContact CG1-CG1 3.3Å; D22-I26 PolarHBondContact O-N 3.14Å; T23-I26 HydrophobicContact CG2-CD1 4.05Å; T23-I26 VanDerWaalsContact O-CB 3.23Å; T23-I26 WeakPolarHBondContact O-CB 3.32Å; T23-I26 PolarHBondContact O-N 2.95Å; T24-I26 VanDerWaalsContact C-N 3.28Å; I26-S29 VanDerWaalsContact CA-OG 3.26Å; I26-S29 WeakPolarHBondContact CA-OG 3.08Å; I26-S29 PolarHBondContact O-N 2.88Å; I26-S29 PolarHBondContact O-OG 3.45Å; I26-Y30 WeakPolarHBondContact O-CB 3.43Å; I26-Y30 PolarHBondContact O-N 2.8Å
27	S	45.6	Very low	47.8	Very low	44 Å²	44	69.8 Å²	69.8	31%	0.308	39%	0.394	S	S	.	.	H	α-helix	trans	-72	-40.5	-179	56.5	0	0	0	0	112.3	T24 Y30 E31	T24-S27 PolarHBondContact O-OG 3.39Å; T24-S27 VanDerWaalsContact O-OG 3.09Å; S27-Y30 WeakPolarHBondContact O-CB 3.29Å; S27-Y30 PolarHBondContact O-N 3.17Å; S27-E31 PolarHBondContact O-N 3.11Å
28	Q	46.5	Very low	48.8	Very low	148 Å²	148	70 Å²	70	69%	0.692	38%	0.379	S	S	*	.	H	α-helix	trans	-65.8	-39.5	171.7	-70.3	-176.9	-9.9	0	0	111.8	Y30 S32	Q28-Y30 VanDerWaalsContact C-N 3.28Å; Q28-Y30 PolarHBondContact O-N 2.96Å; Q28-S32 VanDerWaalsContact O-CB 3.26Å; Q28-S32 WeakPolarHBondContact O-CB 3.26Å; Q28-S32 PolarHBondContact O-N 2.85Å
29	S	51.6	Low	49.8	Very low	10 Å²	10	71.5 Å²	71.5	7%	0.07	39%	0.389	C	S	.	.	H	α-helix	trans	-67	-29.4	174.3	65.6	0	0	0	0	111.9	E25 I26 V33	E25-S29 WeakPolarHBondContact O-CA 3.39Å; E25-S29 WeakPolarHBondContact O-CB 3.45Å; E25-S29 PolarHBondContact O-N 2.76Å; E25-S29 PolarHBondContact O-OG 3.19Å; I26-S29 VanDerWaalsContact CA-OG 3.26Å; I26-S29 WeakPolarHBondContact CA-OG 3.08Å; I26-S29 PolarHBondContact O-N 2.88Å; I26-S29 PolarHBondContact O-OG 3.45Å; S29-V33 WeakPolarHBondContact O-CB 3.48Å; S29-V33 WeakPolarHBondContact O-CG2 3.05Å; S29-V33 PolarHBondContact O-N 3.33Å
30	Y	49.5	Very low	50.5	Low	32 Å²	32	71.8 Å²	71.8	13%	0.125	37%	0.374	C	S	.	.	H	α-helix	trans	-64.8	-52.4	175.6	-177.9	-94	0	0	0	112.6	I26 S27 Q28 S32 V33 K34 M124 L127	I26-Y30 WeakPolarHBondContact O-CB 3.43Å; I26-Y30 PolarHBondContact O-N 2.8Å; S27-Y30 WeakPolarHBondContact O-CB 3.29Å; S27-Y30 PolarHBondContact O-N 3.17Å; Q28-Y30 VanDerWaalsContact C-N 3.28Å; Q28-Y30 PolarHBondContact O-N 2.96Å; Y30-S32 VanDerWaalsContact C-N 3.33Å; Y30-S32 PolarHBondContact O-N 2.86Å; Y30-V33 PolarHBondContact O-N 3.04Å; Y30-K34 WeakPolarHBondContact O-CB 3.48Å; Y30-K34 PolarHBondContact O-N 3.31Å; Y30-M124 HydrophobicContact CD1-CE 4.1Å; Y30-M124 HydrophobicContact CD2-CE 3.57Å; Y30-M124 HydrophobicContact CD2-SD 3.85Å; Y30-M124 HydrophobicContact CE1-CE 3.67Å; Y30-M124 HydrophobicContact CE2-CB 4.2Å; Y30-M124 HydrophobicContact CE2-CE 3.07Å; Y30-M124 HydrophobicContact CE2-CG 4.39Å; Y30-M124 HydrophobicContact CE2-SD 3.35Å; Y30-M124 WeakPolarHBondContact CE2-SD 3.47Å; Y30-M124 HydrophobicContact CG-CE 4.06Å; Y30-M124 WeakPolarHBondContact OH-CE 3.06Å; Y30-L127 HydrophobicContact CD2-CB 4.34Å; Y30-L127 HydrophobicContact CD2-CD1 4.41Å; Y30-L127 HydrophobicContact CE2-CB 4.11Å
31	E	57.5	Low	51.2	Low	104 Å²	104	72.5 Å²	72.5	49%	0.486	37%	0.371	S	S	.	.	H	α-helix	trans	-65.3	-38.7	177.4	-69.9	-59.1	152.8	0	0	111.4	S27 K34 E35	S27-E31 PolarHBondContact O-N 3.11Å; E31-K34 WeakPolarHBondContact O-CB 3.41Å; E31-K34 PolarHBondContact O-N 2.85Å; E31-E35 PolarHBondContact O-N 3.3Å
32	S	58.8	Low	51.9	Low	36 Å²	36	74.6 Å²	74.6	25%	0.252	37%	0.37	S	S	.	.	H	α-helix	trans	-63.9	-42.1	174.9	-168.8	0	0	0	0	112.5	F18 Q28 Y30 K34 E35 Q36	F18-S32 WeakPolarHBondContact CZ-OG 3.15Å; Q28-S32 VanDerWaalsContact O-CB 3.26Å; Q28-S32 WeakPolarHBondContact O-CB 3.26Å; Q28-S32 PolarHBondContact O-N 2.85Å; Y30-S32 VanDerWaalsContact C-N 3.33Å; Y30-S32 PolarHBondContact O-N 2.86Å; S32-K34 VanDerWaalsContact C-N 3.33Å; S32-K34 PolarHBondContact O-N 3.06Å; S32-E35 PolarHBondContact O-N 2.76Å; S32-Q36 WeakPolarHBondContact O-CB 3.32Å; S32-Q36 VanDerWaalsContact O-CG 3.26Å; S32-Q36 WeakPolarHBondContact O-CG 3.22Å; S32-Q36 PolarHBondContact O-N 3.17Å
33	V	52.6	Low	52.8	Low	16 Å²	16	72 Å²	72	10%	0.097	36%	0.364	C	S	.	.	H	α-helix	trans	-63.8	-40.2	175.1	166.3	0	0	0	0	110.3	F16 F18 S29 Y30 Q36 L37	F16-V33 HydrophobicContact CD2-CG1 4.42Å; F16-V33 HydrophobicContact CD2-CG2 4.44Å; F16-V33 HydrophobicContact CE2-CG1 4.29Å; F18-V33 HydrophobicContact CD2-CG2 4.32Å; F18-V33 HydrophobicContact CE2-CG2 4.2Å; S29-V33 WeakPolarHBondContact O-CB 3.48Å; S29-V33 WeakPolarHBondContact O-CG2 3.05Å; S29-V33 PolarHBondContact O-N 3.33Å; Y30-V33 PolarHBondContact O-N 3.04Å; V33-Q36 PolarHBondContact O-N 3.36Å; V33-L37 VanDerWaalsContact O-CB 3.29Å; V33-L37 WeakPolarHBondContact O-CB 3.43Å; V33-L37 PolarHBondContact O-N 3.45Å
34	K	56.5	Low	53.5	Low	95 Å²	95	71.3 Å²	71.3	41%	0.413	35%	0.354	S	S	.	.	H	α-helix	trans	-62.9	-45.4	176.6	-170	179.5	176.3	-176.2	0	112.2	Y30 E31 S32 L37 N38 M124	Y30-K34 WeakPolarHBondContact O-CB 3.48Å; Y30-K34 PolarHBondContact O-N 3.31Å; E31-K34 WeakPolarHBondContact O-CB 3.41Å; E31-K34 PolarHBondContact O-N 2.85Å; S32-K34 VanDerWaalsContact C-N 3.33Å; S32-K34 PolarHBondContact O-N 3.06Å; K34-L37 WeakPolarHBondContact O-CB 3.2Å; K34-L37 PolarHBondContact O-N 2.87Å; K34-N38 PolarHBondContact O-N 3.28Å; K34-N38 VanDerWaalsContact O-N 3.11Å; K34-M124 HydrophobicContact CB-CE 3.85Å; K34-M124 HydrophobicContact CD-CE 4.45Å; K34-M124 HydrophobicContact CG-CE 4.21Å
35	E	63.7	Low	54	Low	125 Å²	125	67.8 Å²	67.8	58%	0.584	33%	0.333	S	S	*	.	H	α-helix	trans	-64.8	-46.9	176.4	-172	-178.4	178.6	0	0	111.6	E31 S32 L37 N38 N39	E31-E35 PolarHBondContact O-N 3.3Å; S32-E35 PolarHBondContact O-N 2.76Å; E35-L37 PolarHBondContact O-N 2.9Å; E35-N38 PolarHBondContact O-N 3.2Å; E35-N38 VanDerWaalsContact O-N 3.11Å; E35-N39 PolarHBondContact O-N 2.89Å
36	Q	56.6	Low	54.7	Low	66 Å²	66	68.8 Å²	68.8	31%	0.308	34%	0.34	S	S	.	.	H	α-helix	trans	-60.2	-35.3	174.9	-73.4	-178.8	15.2	0	0	112	F16 S32 V33 N39 Y40	F16-Q36 HydrophobicContact CD1-CB 4.45Å; F16-Q36 VanDerWaalsContact CD1-OE1 3.22Å; F16-Q36 HydrophobicContact CE1-CB 4.44Å; S32-Q36 WeakPolarHBondContact O-CB 3.32Å; S32-Q36 VanDerWaalsContact O-CG 3.26Å; S32-Q36 WeakPolarHBondContact O-CG 3.22Å; S32-Q36 PolarHBondContact O-N 3.17Å; V33-Q36 PolarHBondContact O-N 3.36Å; Q36-N39 PolarHBondContact O-N 2.86Å; Q36-Y40 VanDerWaalsContact O-CB 3.32Å; Q36-Y40 WeakPolarHBondContact O-CB 3.27Å; Q36-Y40 PolarHBondContact O-N 3.41Å
37	L	55.2	Low	55.6	Low	15 Å²	15	69.8 Å²	69.8	8%	0.079	35%	0.349	C	S	.	.	H	α-helix	trans	-62.3	-45.2	174.8	-156.3	82.5	0	0	0	111.6	F16 V33 K34 E35 Y40 R41 K120	F16-L37 HydrophobicContact CZ-CD1 4.19Å; V33-L37 VanDerWaalsContact O-CB 3.29Å; V33-L37 WeakPolarHBondContact O-CB 3.43Å; V33-L37 PolarHBondContact O-N 3.45Å; K34-L37 WeakPolarHBondContact O-CB 3.2Å; K34-L37 PolarHBondContact O-N 2.87Å; E35-L37 PolarHBondContact O-N 2.9Å; L37-Y40 PolarHBondContact O-N 3.46Å; L37-R41 WeakPolarHBondContact O-CG 3.24Å; L37-R41 PolarHBondContact O-N 2.88Å; L37-K120 HydrophobicContact CD1-CD 3.35Å; L37-K120 VanDerWaalsContact CD1-NZ 3.34Å; L37-K120 HydrophobicContact CD2-CB 4.21Å; L37-K120 HydrophobicContact CD2-CD 4.02Å; L37-K120 HydrophobicContact CG-CD 4.21Å
38	N	58.9	Low	56.1	Low	73 Å²	73	72.6 Å²	72.6	39%	0.39	36%	0.355	S	S	.	.	H	α-helix	trans	-65.9	-43.1	178.1	-77.4	-13.9	0	0	0	111.8	K34 E35 Y40 R41 E42	K34-N38 PolarHBondContact O-N 3.28Å; K34-N38 VanDerWaalsContact O-N 3.11Å; E35-N38 PolarHBondContact O-N 3.2Å; E35-N38 VanDerWaalsContact O-N 3.11Å; N38-Y40 VanDerWaalsContact C-N 3.29Å; N38-Y40 PolarHBondContact O-N 3.42Å; N38-R41 VanDerWaalsContact O-CB 3.3Å; N38-R41 WeakPolarHBondContact O-CB 3.22Å; N38-R41 PolarHBondContact O-N 3.26Å; N38-R41 VanDerWaalsContact O-N 3.1Å; N38-E42 PolarHBondContact O-N 3.42Å; N38-E42 VanDerWaalsContact O-N 3.14Å
39	N	60.3	Low	56.6	Low	89 Å²	89	66.1 Å²	66.1	48%	0.476	32%	0.324	S	S	.	.	H	α-helix	trans	-62.5	-38.3	175	-67.9	-21	0	0	0	111.6	E35 Q36 A43	E35-N39 PolarHBondContact O-N 2.89Å; Q36-N39 PolarHBondContact O-N 2.86Å; N39-A43 WeakPolarHBondContact O-CB 3.37Å; N39-A43 PolarHBondContact O-N 2.82Å; N39-A43 VanDerWaalsContact O-N 3.09Å
40	Y	54.3	Low	56.8	Low	128 Å²	128	68.9 Å²	68.9	50%	0.502	34%	0.337	S	S	.	.	H	α-helix	trans	-67.2	-35.8	173.9	-170.6	-89.7	0	0	0	112.3	Q36 L37 N38 Y44	Q36-Y40 VanDerWaalsContact O-CB 3.32Å; Q36-Y40 WeakPolarHBondContact O-CB 3.27Å; Q36-Y40 PolarHBondContact O-N 3.41Å; L37-Y40 PolarHBondContact O-N 3.46Å; N38-Y40 VanDerWaalsContact C-N 3.29Å; N38-Y40 PolarHBondContact O-N 3.42Å; Y40-Y44 AromaticContact CE1-CD2 3.82Å; Y40-Y44 HydrophobicContact CE1-CD2 3.82Å; Y40-Y44 HydrophobicContact CE1-CG 4.19Å; Y40-Y44 WeakPolarHBondContact O-CB 3.25Å; Y40-Y44 PolarHBondContact O-N 3.49Å
41	R	54.5	Low	57.2	Low	64 Å²	64	71.3 Å²	71.3	24%	0.242	35%	0.349	C	S	.	.	H	α-helix	trans	-57.6	-54.1	175.4	-77.4	175.6	-163.4	-151	2.2	110.5	L37 N38 A43 Y44 V45 L113 V117 D121	L37-R41 WeakPolarHBondContact O-CG 3.24Å; L37-R41 PolarHBondContact O-N 2.88Å; N38-R41 VanDerWaalsContact O-CB 3.3Å; N38-R41 WeakPolarHBondContact O-CB 3.22Å; N38-R41 PolarHBondContact O-N 3.26Å; N38-R41 VanDerWaalsContact O-N 3.1Å; R41-A43 PolarHBondContact O-N 3.5Å; R41-Y44 PolarHBondContact O-N 3.22Å; R41-V45 PolarHBondContact O-N 3.49Å; R41-L113 HydrophobicContact CB-CD2 3.8Å; R41-L113 HydrophobicContact CG-CD1 4.12Å; R41-L113 HydrophobicContact CG-CD2 4.01Å; R41-L113 HydrophobicContact CG-CG 4.28Å; R41-L113 WeakPolarHBondContact O-CD2 3.19Å; R41-V117 HydrophobicContact CG-CG2 3.9Å; R41-V117 VanDerWaalsContact NH1-CG1 3.32Å; R41-D121 IonicContact NH2-OD1 3.15Å
42	E	57.1	Low	57.2	Low	142 Å²	142	69.1 Å²	69.1	66%	0.664	34%	0.336	S	S	*	.	H	α-helix	trans	-60.6	-48.1	-179.7	-67.2	-174.2	171.9	0	0	110.9	N38 Y44 D46	N38-E42 PolarHBondContact O-N 3.42Å; N38-E42 VanDerWaalsContact O-N 3.14Å; E42-Y44 PolarHBondContact O-N 2.74Å; E42-D46 WeakPolarHBondContact O-CB 3.44Å; E42-D46 PolarHBondContact O-N 2.95Å
43	A	58	Low	57.1	Low	50 Å²	50	67.5 Å²	67.5	41%	0.413	33%	0.325	S	S	.	.	H	α-helix	trans	-65.5	-35.1	179.5	0	0	0	0	0	113.7	N39 R41 T47	N39-A43 WeakPolarHBondContact O-CB 3.37Å; N39-A43 PolarHBondContact O-N 2.82Å; N39-A43 VanDerWaalsContact O-N 3.09Å; R41-A43 PolarHBondContact O-N 3.5Å; A43-T47 WeakPolarHBondContact O-CB 3.14Å; A43-T47 PolarHBondContact O-N 3.21Å; A43-T47 PolarHBondContact O-OG1 3.32Å
44	Y	56.2	Low	57.2	Low	47 Å²	47	72.2 Å²	72.2	18%	0.184	34%	0.341	C	S	.	.	H	α-helix	trans	-68.9	-48.2	-178	-179	-90	0	0	0	111.8	Y40 R41 E42 D46 K48 L113	Y40-Y44 AromaticContact CE1-CD2 3.82Å; Y40-Y44 HydrophobicContact CE1-CD2 3.82Å; Y40-Y44 HydrophobicContact CE1-CG 4.19Å; Y40-Y44 WeakPolarHBondContact O-CB 3.25Å; Y40-Y44 PolarHBondContact O-N 3.49Å; R41-Y44 PolarHBondContact O-N 3.22Å; E42-Y44 PolarHBondContact O-N 2.74Å; Y44-D46 VanDerWaalsContact C-N 3.35Å; Y44-K48 HydrophobicContact CD1-CG 4.32Å; Y44-K48 HydrophobicContact CD2-CG 4.27Å; Y44-K48 HydrophobicContact CE1-CG 3.96Å; Y44-K48 HydrophobicContact CE2-CG 3.94Å; Y44-K48 HydrophobicContact CG-CG 4.47Å; Y44-K48 WeakPolarHBondContact O-CB 3.43Å; Y44-K48 WeakPolarHBondContact O-CG 3.27Å; Y44-K48 PolarHBondContact O-N 2.92Å; Y44-L113 HydrophobicContact CD1-CD1 4.25Å
45	V	54.8	Low	57.3	Low	18 Å²	18	71.7 Å²	71.7	11%	0.109	34%	0.343	C	S	.	.	H	α-helix	trans	-59.7	-52	177.2	-178.4	0	0	0	0	108.7	R41 T47 K48 Y49 E110 L113	R41-V45 PolarHBondContact O-N 3.49Å; V45-T47 PolarHBondContact O-N 2.73Å; V45-K48 PolarHBondContact O-N 3.06Å; V45-Y49 WeakPolarHBondContact O-CB 3.1Å; V45-Y49 PolarHBondContact O-N 3.23Å; V45-E110 HydrophobicContact CG1-CG 4.31Å; V45-L113 HydrophobicContact CG2-CB 4.37Å; V45-L113 HydrophobicContact CG2-CD2 3.26Å; V45-L113 HydrophobicContact CG2-CG 4.41Å
46	D	59.5	Low	56.9	Low	95 Å²	95	67.4 Å²	67.4	51%	0.508	32%	0.324	S	S	.	.	H	α-helix	trans	-59.2	-47.3	-177.5	-84.1	-2.3	0	0	0	112.1	E42 Y44 Q50	E42-D46 WeakPolarHBondContact O-CB 3.44Å; E42-D46 PolarHBondContact O-N 2.95Å; Y44-D46 VanDerWaalsContact C-N 3.35Å; D46-Q50 WeakPolarHBondContact O-CB 3.47Å; D46-Q50 WeakPolarHBondContact O-CG 3.48Å; D46-Q50 PolarHBondContact O-N 3.24Å
47	T	59.4	Low	56.8	Low	68 Å²	68	64.4 Å²	64.4	42%	0.417	31%	0.31	S	S	.	.	H	α-helix	trans	-67.1	-48.5	-177.7	-55.4	0	0	0	0	111.6	A43 V45 Y49 Q50 H51	A43-T47 WeakPolarHBondContact O-CB 3.14Å; A43-T47 PolarHBondContact O-N 3.21Å; A43-T47 PolarHBondContact O-OG1 3.32Å; V45-T47 PolarHBondContact O-N 2.73Å; T47-Y49 VanDerWaalsContact C-N 3.34Å; T47-Y49 PolarHBondContact O-N 3.29Å; T47-Q50 PolarHBondContact O-N 3.38Å; T47-H51 PolarHBondContact O-CD2 3.38Å; T47-H51 PolarHBondContact O-N 2.98Å
48	K	57.7	Low	56.5	Low	103 Å²	103	69.9 Å²	69.9	45%	0.448	33%	0.33	S	S	.	.	H	α-helix	trans	-67.1	-38.2	-179.5	-73.3	-66.6	-174.5	-176.6	0	111.9	Y44 V45 H51 Y52 L109	Y44-K48 HydrophobicContact CD1-CG 4.32Å; Y44-K48 HydrophobicContact CD2-CG 4.27Å; Y44-K48 HydrophobicContact CE1-CG 3.96Å; Y44-K48 HydrophobicContact CE2-CG 3.94Å; Y44-K48 HydrophobicContact CG-CG 4.47Å; Y44-K48 WeakPolarHBondContact O-CB 3.43Å; Y44-K48 WeakPolarHBondContact O-CG 3.27Å; Y44-K48 PolarHBondContact O-N 2.92Å; V45-K48 PolarHBondContact O-N 3.06Å; K48-H51 PolarHBondContact O-N 3.13Å; K48-Y52 PolarHBondContact O-N 3Å; K48-L109 HydrophobicContact CB-CD1 4.37Å; K48-L109 HydrophobicContact CB-CD2 4.25Å
49	Y	57.1	Low	56.1	Low	12 Å²	12	70.9 Å²	70.9	5%	0.047	34%	0.339	C	S	.	.	H	α-helix	trans	-68.1	-41.3	176.9	-176.2	-117.8	0	0	0	111.7	V45 T47 H51 Y52 L53 F81 V102 K106 L109	V45-Y49 WeakPolarHBondContact O-CB 3.1Å; V45-Y49 PolarHBondContact O-N 3.23Å; T47-Y49 VanDerWaalsContact C-N 3.34Å; T47-Y49 PolarHBondContact O-N 3.29Å; Y49-H51 VanDerWaalsContact C-N 3.34Å; Y49-H51 PolarHBondContact O-N 2.76Å; Y49-Y52 PolarHBondContact O-N 3.13Å; Y49-L53 HydrophobicContact CD1-CD1 3.85Å; Y49-L53 HydrophobicContact CE1-CD1 3.49Å; Y49-L53 VanDerWaalsContact CE1-CD1 3.49Å; Y49-L53 HydrophobicContact CE1-CG 4.27Å; Y49-L53 HydrophobicContact CE2-CD1 4.4Å; Y49-L53 HydrophobicContact CE2-CG 4.32Å; Y49-L53 HydrophobicContact CG-CD1 4.47Å; Y49-L53 WeakPolarHBondContact O-CB 3.38Å; Y49-L53 PolarHBondContact O-N 2.86Å; Y49-F81 HydrophobicContact CD1-CD2 4.39Å; Y49-F81 HydrophobicContact CD1-CE2 4.46Å; Y49-F81 AromaticContact CE1-CD2 3.87Å; Y49-F81 HydrophobicContact CE1-CD2 3.87Å; Y49-F81 AromaticContact CE1-CE2 3.57Å; Y49-F81 HydrophobicContact CE1-CE2 3.57Å; Y49-V102 HydrophobicContact CE2-CG1 4.18Å; Y49-V102 WeakPolarHBondContact OH-CG1 3.37Å; Y49-K106 HydrophobicContact CD2-CB 4.03Å; Y49-K106 HydrophobicContact CD2-CG 4.25Å; Y49-K106 HydrophobicContact CE1-CD 4.31Å; Y49-K106 HydrophobicContact CE2-CB 3.51Å; Y49-K106 HydrophobicContact CE2-CD 4.43Å; Y49-K106 HydrophobicContact CE2-CG 3.97Å; Y49-L109 HydrophobicContact CD2-CD1 4.13Å
50	Q	55.3	Low	55.6	Low	69 Å²	69	69.6 Å²	69.6	32%	0.322	33%	0.327	S	S	.	.	H	α-helix	trans	-60.2	-42.4	172.3	-77.4	175.1	18.8	0	0	112	D46 T47 L53 R54	D46-Q50 WeakPolarHBondContact O-CB 3.47Å; D46-Q50 WeakPolarHBondContact O-CG 3.48Å; D46-Q50 PolarHBondContact O-N 3.24Å; T47-Q50 PolarHBondContact O-N 3.38Å; Q50-L53 PolarHBondContact O-N 3.49Å; Q50-R54 VanDerWaalsContact O-CB 3.32Å; Q50-R54 WeakPolarHBondContact O-CB 3.46Å; Q50-R54 PolarHBondContact O-N 3.45Å
51	H	58.2	Low	55.1	Low	83 Å²	83	64.1 Å²	64.1	38%	0.384	31%	0.307	S	S	.	.	H	α-helix	trans	-62.1	-44.5	174.6	-78.4	-61	0	0	0	112.4	T47 K48 Y49 R54 D55	T47-H51 PolarHBondContact O-CD2 3.38Å; T47-H51 PolarHBondContact O-N 2.98Å; K48-H51 PolarHBondContact O-N 3.13Å; Y49-H51 VanDerWaalsContact C-N 3.34Å; Y49-H51 PolarHBondContact O-N 2.76Å; H51-R54 WeakPolarHBondContact O-CB 3.33Å; H51-R54 PolarHBondContact O-N 3.37Å; H51-D55 VanDerWaalsContact O-CG 3.32Å; H51-D55 PolarHBondContact O-N 3.36Å
52	Y	56.9	Low	54.6	Low	57 Å²	57	67.2 Å²	67.2	22%	0.224	32%	0.322	C	S	.	.	H	α-helix	trans	-61.8	-49.4	176.9	173.7	-102.7	0	0	0	111.9	K48 Y49 R54 D55 L56 D101 R105	K48-Y52 PolarHBondContact O-N 3Å; Y49-Y52 PolarHBondContact O-N 3.13Å; Y52-R54 PolarHBondContact O-N 2.98Å; Y52-D55 PolarHBondContact O-N 3.25Å; Y52-L56 HydrophobicContact CD1-CD1 4.38Å; Y52-L56 HydrophobicContact CD2-CD1 4.29Å; Y52-L56 HydrophobicContact CE1-CD1 3.57Å; Y52-L56 HydrophobicContact CE2-CD1 3.47Å; Y52-L56 VanDerWaalsContact CE2-CD1 3.47Å; Y52-L56 WeakPolarHBondContact O-CB 3.42Å; Y52-L56 PolarHBondContact O-N 2.9Å; Y52-L56 WeakPolarHBondContact OH-CD1 3.33Å; Y52-D101 PolarHBondContact OH-O 3.06Å; Y52-R105 HydrophobicContact CD1-CB 3.96Å; Y52-R105 HydrophobicContact CD1-CG 3.63Å; Y52-R105 HydrophobicContact CD2-CG 3.89Å; Y52-R105 HydrophobicContact CE1-CB 3.36Å; Y52-R105 HydrophobicContact CE1-CG 3.45Å; Y52-R105 VanDerWaalsContact CE1-CG 3.45Å; Y52-R105 HydrophobicContact CE2-CB 4.28Å; Y52-R105 HydrophobicContact CE2-CG 3.7Å; Y52-R105 HydrophobicContact CG-CG 3.81Å; Y52-R105 VanDerWaalsContact CZ-CG 3.45Å
53	L	55.5	Low	54	Low	2 Å²	2	65.8 Å²	65.8	1%	0.01	32%	0.323	C	S	.	.	H	α-helix	trans	-55.2	-40.9	174.3	-82.6	171.9	0	0	0	111.2	Y49 Q50 L56 L57 Y80 F81 V102	Y49-L53 HydrophobicContact CD1-CD1 3.85Å; Y49-L53 HydrophobicContact CE1-CD1 3.49Å; Y49-L53 VanDerWaalsContact CE1-CD1 3.49Å; Y49-L53 HydrophobicContact CE1-CG 4.27Å; Y49-L53 HydrophobicContact CE2-CD1 4.4Å; Y49-L53 HydrophobicContact CE2-CG 4.32Å; Y49-L53 HydrophobicContact CG-CD1 4.47Å; Y49-L53 WeakPolarHBondContact O-CB 3.38Å; Y49-L53 PolarHBondContact O-N 2.86Å; Q50-L53 PolarHBondContact O-N 3.49Å; L53-L56 PolarHBondContact O-N 3.46Å; L53-L57 VanDerWaalsContact O-CB 3.26Å; L53-L57 WeakPolarHBondContact O-CB 3.06Å; L53-L57 VanDerWaalsContact O-CG 3.29Å; L53-L57 WeakPolarHBondContact O-CG 3.49Å; L53-L57 PolarHBondContact O-N 3.2Å; L53-Y80 HydrophobicContact CB-CE1 4.31Å; L53-F81 HydrophobicContact CD1-CD2 3.58Å; L53-F81 HydrophobicContact CD1-CE2 4.04Å; L53-V102 HydrophobicContact CD2-CB 4.5Å; L53-V102 HydrophobicContact CD2-CG1 3.61Å; L53-V102 HydrophobicContact CD2-CG2 4Å
54	R	55.5	Low	53.2	Low	116 Å²	116	68 Å²	68	44%	0.438	33%	0.328	S	S	.	.	H	α-helix	trans	-63.2	-48.7	178.2	-171.7	-165.6	73.9	179.6	2.5	112.4	Q50 H51 Y52 L56 Y58 Y80	Q50-R54 VanDerWaalsContact O-CB 3.32Å; Q50-R54 WeakPolarHBondContact O-CB 3.46Å; Q50-R54 PolarHBondContact O-N 3.45Å; H51-R54 WeakPolarHBondContact O-CB 3.33Å; H51-R54 PolarHBondContact O-N 3.37Å; Y52-R54 PolarHBondContact O-N 2.98Å; R54-L56 VanDerWaalsContact C-N 3.3Å; R54-L56 PolarHBondContact O-N 3.32Å; R54-Y58 WeakPolarHBondContact O-CB 3.33Å; R54-Y58 PolarHBondContact O-N 3Å; R54-Y80 WeakPolarHBondContact CA-OH 3.34Å; R54-Y80 HydrophobicContact CB-CD1 4.28Å; R54-Y80 HydrophobicContact CB-CE1 3.49Å; R54-Y80 VanDerWaalsContact CB-CE1 3.49Å; R54-Y80 HydrophobicContact CB-CE2 4.27Å; R54-Y80 HydrophobicContact CG-CE1 4.05Å; R54-Y80 HydrophobicContact CG-CE2 3.91Å; R54-Y80 WeakPolarHBondContact CG-OH 3.29Å
55	D	58.2	Low	52.4	Low	83 Å²	83	76.6 Å²	76.6	44%	0.444	36%	0.36	S	S	.	.	H	α-helix	trans	-67.8	-35.2	-178.1	-64.9	-11.6	0	0	0	110.6	H51 Y52 Y58 V59	H51-D55 VanDerWaalsContact O-CG 3.32Å; H51-D55 PolarHBondContact O-N 3.36Å; Y52-D55 PolarHBondContact O-N 3.25Å; D55-Y58 PolarHBondContact O-N 2.94Å; D55-V59 VanDerWaalsContact O-CG2 3.28Å; D55-V59 WeakPolarHBondContact O-CG2 2.96Å; D55-V59 PolarHBondContact O-N 2.88Å
56	L	55.9	Low	51.8	Low	36 Å²	36	81 Å²	81	19%	0.188	39%	0.391	C	S	.	.	H	α-helix	trans	-73.3	-43.1	178.5	-134.1	136.4	0	0	0	112.9	Y52 L53 R54 Y58 V59 R60 F98	Y52-L56 HydrophobicContact CD1-CD1 4.38Å; Y52-L56 HydrophobicContact CD2-CD1 4.29Å; Y52-L56 HydrophobicContact CE1-CD1 3.57Å; Y52-L56 HydrophobicContact CE2-CD1 3.47Å; Y52-L56 VanDerWaalsContact CE2-CD1 3.47Å; Y52-L56 WeakPolarHBondContact O-CB 3.42Å; Y52-L56 PolarHBondContact O-N 2.9Å; Y52-L56 WeakPolarHBondContact OH-CD1 3.33Å; L53-L56 PolarHBondContact O-N 3.46Å; R54-L56 VanDerWaalsContact C-N 3.3Å; R54-L56 PolarHBondContact O-N 3.32Å; L56-Y58 VanDerWaalsContact C-N 3.29Å; L56-V59 PolarHBondContact O-N 2.84Å; L56-R60 PolarHBondContact O-N 3.44Å; L56-F98 HydrophobicContact CD2-CD2 3.35Å; L56-F98 HydrophobicContact CD2-CE2 3.22Å; L56-F98 HydrophobicContact CD2-CZ 4.43Å; L56-F98 HydrophobicContact CG-CE2 4.43Å
57	L	53.4	Low	51.1	Low	3 Å²	3	78.6 Å²	78.6	2%	0.016	38%	0.377	C	S	.	.	H	α-helix	trans	-61.9	-41	170	-75.1	175.6	0	0	0	110.4	L53 V59 R60 I61 Y80 W83 A84 I88 F98	L53-L57 VanDerWaalsContact O-CB 3.26Å; L53-L57 WeakPolarHBondContact O-CB 3.06Å; L53-L57 VanDerWaalsContact O-CG 3.29Å; L53-L57 WeakPolarHBondContact O-CG 3.49Å; L53-L57 PolarHBondContact O-N 3.2Å; L57-V59 PolarHBondContact O-N 3.14Å; L57-R60 PolarHBondContact O-N 2.97Å; L57-I61 HydrophobicContact CB-CD1 4.04Å; L57-I61 WeakPolarHBondContact O-CA 3.2Å; L57-I61 WeakPolarHBondContact O-CB 3.45Å; L57-I61 VanDerWaalsContact O-CD1 3.31Å; L57-I61 WeakPolarHBondContact O-CD1 3.45Å; L57-I61 WeakPolarHBondContact O-CG1 3.45Å; L57-I61 PolarHBondContact O-N 3.36Å; L57-Y80 HydrophobicContact CD1-CE1 4.25Å; L57-W83 HydrophobicContact CD1-CE3 4.31Å; L57-W83 HydrophobicContact CD1-CZ3 3.76Å; L57-A84 HydrophobicContact CD1-CB 3.31Å; L57-I88 HydrophobicContact CD2-CD1 4.41Å; L57-I88 HydrophobicContact CD2-CG1 4.09Å; L57-F98 HydrophobicContact CD2-CZ 4.13Å
58	Y	50.1	Low	50.2	Low	129 Å²	129	79.2 Å²	79.2	51%	0.506	38%	0.377	S	S	.	.	H	α-helix	trans	-60.7	-43.9	175.6	-175.1	-94.9	0	0	0	111.7	R54 D55 L56 K62 I68	R54-Y58 WeakPolarHBondContact O-CB 3.33Å; R54-Y58 PolarHBondContact O-N 3Å; D55-Y58 PolarHBondContact O-N 2.94Å; L56-Y58 VanDerWaalsContact C-N 3.29Å; Y58-K62 HydrophobicContact CE1-CD 4Å; Y58-K62 WeakPolarHBondContact O-CB 3.11Å; Y58-K62 PolarHBondContact O-N 3.38Å; Y58-I68 HydrophobicContact CD2-CD1 4.48Å
59	V	50.4	Low	49.4	Very low	95 Å²	95	78.7 Å²	78.7	58%	0.576	38%	0.379	S	S	*	.	H	α-helix	trans	-65.3	-45.5	177.5	170.8	0	0	0	0	111.8	D55 L56 L57 K62 T63	D55-V59 VanDerWaalsContact O-CG2 3.28Å; D55-V59 WeakPolarHBondContact O-CG2 2.96Å; D55-V59 PolarHBondContact O-N 2.88Å; L56-V59 PolarHBondContact O-N 2.84Å; L57-V59 PolarHBondContact O-N 3.14Å; V59-K62 PolarHBondContact O-N 3.36Å; V59-T63 PolarHBondContact O-N 2.94Å; V59-T63 VanDerWaalsContact O-N 3.13Å; V59-T63 PolarHBondContact O-OG1 3.06Å
60	R	48.8	Very low	48.8	Very low	61 Å²	61	87 Å²	87	23%	0.23	42%	0.415	C	S	.	.	H	α-helix	trans	-68.6	-36.3	177.8	-93.8	-179.5	-178.1	-133.1	-12.5	113.7	L56 L57 T63 N64 D95 F98	L56-R60 PolarHBondContact O-N 3.44Å; L57-R60 PolarHBondContact O-N 2.97Å; R60-T63 VanDerWaalsContact C-OG1 3.26Å; R60-T63 VanDerWaalsContact CA-OG1 3.26Å; R60-T63 WeakPolarHBondContact CA-OG1 3.22Å; R60-T63 PolarHBondContact O-N 2.98Å; R60-T63 PolarHBondContact O-OG1 2.94Å; R60-N64 PolarHBondContact O-N 2.94Å; R60-D95 IonicContact CZ-OD2 2.61Å; R60-D95 IonicContact NH1-OD2 3.83Å; R60-D95 PolarHBondContact NH1-OD2 2.71Å; R60-D95 VanDerWaalsContact NH2-CG 3.35Å; R60-D95 IonicContact NH2-OD1 3.92Å; R60-D95 IonicContact NH2-OD2 2.94Å; R60-D95 PolarHBondContact NH2-OD2 3.44Å; R60-F98 VanDerWaalsContact CD-CD2 3.48Å; R60-F98 VanDerWaalsContact NE-CD2 3.31Å
61	I	45.4	Very low	48.3	Very low	13 Å²	13	88.8 Å²	88.8	7%	0.067	42%	0.423	C	S	.	.	H	α-helix	trans	-77.9	-31.8	176.9	-61.7	163	0	0	0	110.4	L57 T63 N64 R65 F67 I68 W83	L57-I61 HydrophobicContact CB-CD1 4.04Å; L57-I61 WeakPolarHBondContact O-CA 3.2Å; L57-I61 WeakPolarHBondContact O-CB 3.45Å; L57-I61 VanDerWaalsContact O-CD1 3.31Å; L57-I61 WeakPolarHBondContact O-CD1 3.45Å; L57-I61 WeakPolarHBondContact O-CG1 3.45Å; L57-I61 PolarHBondContact O-N 3.36Å; I61-T63 PolarHBondContact O-N 3.05Å; I61-N64 CarbonylContact O-C 3.47Å; I61-N64 WeakPolarHBondContact O-CA 3.5Å; I61-N64 PolarHBondContact O-N 2.83Å; I61-R65 PolarHBondContact O-N 3.4Å; I61-F67 HydrophobicContact CG2-CB 3.5Å; I61-I68 HydrophobicContact CB-CD1 3.63Å; I61-I68 HydrophobicContact CB-CG1 4.17Å; I61-I68 HydrophobicContact CD1-CD1 3.72Å; I61-I68 HydrophobicContact CD1-CG1 3.8Å; I61-I68 HydrophobicContact CG1-CD1 4.27Å; I61-I68 HydrophobicContact CG2-CB 4.16Å; I61-I68 HydrophobicContact CG2-CD1 3.35Å; I61-I68 HydrophobicContact CG2-CG1 3.5Å; I61-W83 HydrophobicContact CD1-CH2 4.08Å
62	K	42.7	Very low	47.5	Very low	130 Å²	130	87.2 Å²	87.2	57%	0.565	42%	0.421	S	S	*	.	H	α-helix	trans	-63.8	-31.1	172.4	-169.9	177.8	-178	-177	0	111.5	Y58 V59 R65	Y58-K62 HydrophobicContact CE1-CD 4Å; Y58-K62 WeakPolarHBondContact O-CB 3.11Å; Y58-K62 PolarHBondContact O-N 3.38Å; V59-K62 PolarHBondContact O-N 3.36Å; K62-R65 WeakPolarHBondContact O-CG 3.35Å
63	T	45.1	Very low	46.8	Very low	112 Å²	112	89 Å²	89	69%	0.687	43%	0.434	S	S	*	.	H	α-helix	trans	-73.9	-36.5	170	32.6	0	0	0	0	111.8	V59 R60 I61 R65	V59-T63 PolarHBondContact O-N 2.94Å; V59-T63 VanDerWaalsContact O-N 3.13Å; V59-T63 PolarHBondContact O-OG1 3.06Å; R60-T63 VanDerWaalsContact C-OG1 3.26Å; R60-T63 VanDerWaalsContact CA-OG1 3.26Å; R60-T63 WeakPolarHBondContact CA-OG1 3.22Å; R60-T63 PolarHBondContact O-N 2.98Å; R60-T63 PolarHBondContact O-OG1 2.94Å; I61-T63 PolarHBondContact O-N 3.05Å; T63-R65 PolarHBondContact O-N 2.94Å
64	N	42	Very low	46.5	Very low	96 Å²	96	97.7 Å²	97.7	51%	0.513	47%	0.472	S	S	.	.	S	Bend	trans	-97.8	68.7	169.3	-100.4	-25.9	0	0	0	112.2	R60 I61 S66 F67	R60-N64 PolarHBondContact O-N 2.94Å; I61-N64 CarbonylContact O-C 3.47Å; I61-N64 WeakPolarHBondContact O-CA 3.5Å; I61-N64 PolarHBondContact O-N 2.83Å; N64-S66 PolarHBondContact O-N 3.44Å; N64-F67 PolarHBondContact O-N 3.49Å
65	R	39.6	Very low	46	Very low	228 Å²	228	98.9 Å²	98.9	86%	0.86	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.4	-11.7	-171.4	-78.8	-171.7	177.8	-174.8	0.8	116.9	I61 K62 T63 F67	I61-R65 PolarHBondContact O-N 3.4Å; K62-R65 WeakPolarHBondContact O-CG 3.35Å; T63-R65 PolarHBondContact O-N 2.94Å; R65-F67 VanDerWaalsContact C-N 3.32Å; R65-F67 PolarHBondContact O-N 3.38Å
66	S	42.2	Very low	45.6	Very low	110 Å²	110	100.6 Å²	100.6	77%	0.769	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	1	-177.1	53.7	0	0	0	0	115.6	N64	N64-S66 PolarHBondContact O-N 3.44Å
67	F	43.1	Very low	45.2	Very low	45 Å²	45	102.6 Å²	102.6	20%	0.197	52%	0.516	C	S	.	.			trans	-113.6	-34.1	-156.5	-129.2	-109.1	0	0	0	119	I61 N64 R65 N69 T87 Y91	I61-F67 HydrophobicContact CG2-CB 3.5Å; N64-F67 PolarHBondContact O-N 3.49Å; R65-F67 VanDerWaalsContact C-N 3.32Å; R65-F67 PolarHBondContact O-N 3.38Å; F67-N69 PolarHBondContact O-N 3.06Å; F67-N69 VanDerWaalsContact O-N 3.11Å; F67-T87 HydrophobicContact CD1-CG2 4.23Å; F67-T87 HydrophobicContact CE1-CG2 3.63Å; F67-Y91 HydrophobicContact CD1-CD2 4.37Å; F67-Y91 AromaticContact CD1-CE2 3.89Å; F67-Y91 HydrophobicContact CD1-CE2 3.89Å; F67-Y91 AromaticContact CD1-CZ 3.96Å; F67-Y91 HydrophobicContact CD2-CE1 4.06Å; F67-Y91 AromaticContact CE1-CD1 3.95Å; F67-Y91 HydrophobicContact CE1-CD1 3.95Å; F67-Y91 AromaticContact CE1-CD2 3.14Å; F67-Y91 HydrophobicContact CE1-CD2 3.14Å; F67-Y91 AromaticContact CE1-CE1 3.81Å; F67-Y91 HydrophobicContact CE1-CE1 3.81Å; F67-Y91 AromaticContact CE1-CE2 2.99Å; F67-Y91 HydrophobicContact CE1-CE2 2.99Å; F67-Y91 AromaticContact CE1-CG 3.61Å; F67-Y91 HydrophobicContact CE1-CG 3.61Å; F67-Y91 AromaticContact CE1-CZ 3.31Å; F67-Y91 AromaticContact CE2-CD1 3.31Å; F67-Y91 HydrophobicContact CE2-CD1 3.31Å; F67-Y91 HydrophobicContact CE2-CD2 4.14Å; F67-Y91 AromaticContact CE2-CE1 3.12Å; F67-Y91 HydrophobicContact CE2-CE1 3.12Å; F67-Y91 HydrophobicContact CE2-CE2 4.02Å; F67-Y91 AromaticContact CE2-CG 3.79Å; F67-Y91 HydrophobicContact CE2-CG 3.79Å; F67-Y91 AromaticContact CE2-CZ 3.48Å; F67-Y91 VanDerWaalsContact CE2-CZ 3.48Å; F67-Y91 AromaticContact CZ-CD1 3.01Å; F67-Y91 HydrophobicContact CZ-CD1 3.01Å; F67-Y91 AromaticContact CZ-CD2 3.07Å; F67-Y91 HydrophobicContact CZ-CD2 3.07Å; F67-Y91 AromaticContact CZ-CE1 3.1Å; F67-Y91 HydrophobicContact CZ-CE1 3.1Å; F67-Y91 AromaticContact CZ-CE2 3.19Å; F67-Y91 HydrophobicContact CZ-CE2 3.19Å; F67-Y91 AromaticContact CZ-CG 2.95Å; F67-Y91 HydrophobicContact CZ-CG 2.95Å; F67-Y91 AromaticContact CZ-CZ 3.15Å
68	I	41.8	Very low	45	Very low	81 Å²	81	104.3 Å²	104.3	42%	0.415	53%	0.525	S	S	.	.			trans	-86	89.2	177.4	-72.8	151.9	0	0	0	107.7	Y58 I61	Y58-I68 HydrophobicContact CD2-CD1 4.48Å; I61-I68 HydrophobicContact CB-CD1 3.63Å; I61-I68 HydrophobicContact CB-CG1 4.17Å; I61-I68 HydrophobicContact CD1-CD1 3.72Å; I61-I68 HydrophobicContact CD1-CG1 3.8Å; I61-I68 HydrophobicContact CG1-CD1 4.27Å; I61-I68 HydrophobicContact CG2-CB 4.16Å; I61-I68 HydrophobicContact CG2-CD1 3.35Å; I61-I68 HydrophobicContact CG2-CG1 3.5Å
69	N	41.4	Very low	45	Very low	92 Å²	92	101.2 Å²	101.2	49%	0.492	52%	0.523	S	S	.	.			trans	-75.6	129.8	147.3	-164.2	3.8	0	0	0	106.8	F67 E71 C72	F67-N69 PolarHBondContact O-N 3.06Å; F67-N69 VanDerWaalsContact O-N 3.11Å; N69-E71 PolarHBondContact ND2-OE2 3.38Å; N69-E71 PolarHBondContact O-N 3.41Å; N69-C72 PolarHBondContact O-N 2.85Å
70	K	42.9	Very low	44.9	Very low	187 Å²	187	98.9 Å²	98.9	81%	0.813	50%	0.504	S	S	*	.	G	3₁₀ helix	trans	-56.3	-17.4	179.7	-85.3	179.8	174.9	176.6	0	112.7
71	E	45.2	Very low	44.9	Very low	105 Å²	105	99.4 Å²	99.4	49%	0.491	51%	0.508	S	S	.	.	G	3₁₀ helix	trans	-70.6	-30.1	-180	-71.7	176.8	149.5	0	0	113.8	N69 L73 K74 E75	N69-E71 PolarHBondContact ND2-OE2 3.38Å; N69-E71 PolarHBondContact O-N 3.41Å; E71-L73 PolarHBondContact O-N 2.89Å; E71-K74 PolarHBondContact O-N 3.48Å; E71-E75 PolarHBondContact O-N 2.99Å
72	C	42.4	Very low	45.3	Very low	50 Å²	50	104.1 Å²	104.1	34%	0.338	53%	0.528	S	S	.	.	G	3₁₀ helix	trans	-63.2	-23.1	-175.6	-69.9	0	0	0	0	114.4	N69 W83	N69-C72 PolarHBondContact O-N 2.85Å; C72-W83 HydrophobicContact CB-CZ2 4.37Å
73	L	42.4	Very low	46	Very low	94 Å²	94	99.1 Å²	99.1	49%	0.492	51%	0.506	S	S	.	.	G	3₁₀ helix	trans	-82.4	-21.6	176	-71.4	173.5	0	0	0	113.2	E71 Y80 W83	E71-L73 PolarHBondContact O-N 2.89Å; L73-Y80 HydrophobicContact CD1-CE2 4.43Å; L73-Y80 HydrophobicContact CD2-CD2 3.75Å; L73-Y80 HydrophobicContact CD2-CE2 3.79Å; L73-W83 HydrophobicContact CD2-CD2 3.8Å; L73-W83 HydrophobicContact CD2-CE3 3.82Å; L73-W83 HydrophobicContact CD2-CG 4.19Å; L73-W83 HydrophobicContact CD2-CZ3 4.28Å
74	K	47.4	Very low	46.4	Very low	185 Å²	185	93.8 Å²	93.8	80%	0.804	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-32.8	-179.8	-79.9	-172	174.7	-175.1	0	112.6	E71 E76	E71-K74 PolarHBondContact O-N 3.48Å; K74-E76 PolarHBondContact O-N 2.89Å
75	E	46.6	Very low	47	Very low	141 Å²	141	93.1 Å²	93.1	66%	0.659	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-24.7	-162.9	-75.3	-177.6	162.6	0	0	115.4	E71	E71-E75 PolarHBondContact O-N 2.99Å
76	E	48.5	Very low	47.9	Very low	120 Å²	120	86 Å²	86	56%	0.561	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.9	1	-172	-60.6	-158.8	176.3	0	0	115.7	K74 L78 Q86	K74-E76 PolarHBondContact O-N 2.89Å; E76-L78 HydrophobicContact CB-CB 4.38Å; E76-L78 HydrophobicContact CB-CD1 3.67Å; E76-L78 HydrophobicContact CB-CG 3.54Å; E76-L78 HydrophobicContact CG-CD1 4.45Å; E76-L78 WeakPolarHBondContact O-CG 3.37Å; E76-L78 PolarHBondContact O-N 2.71Å; E76-L78 WeakPolarHBondContact OE2-CD1 3.44Å; E76-Q86 PolarHBondContact OE2-OE1 2.97Å
77	G	48.3	Very low	48.5	Very low	77 Å²	77	81.4 Å²	81.4	79%	0.794	41%	0.41	S	S	*	.			trans	55.2	16.9	-176.5	0	0	0	0	0	113.4
78	L	48.6	Very low	49	Very low	39 Å²	39	80 Å²	80	20%	0.204	40%	0.404	C	S	.	.			trans	-77.8	144.2	-176.2	-67.7	178.8	0	0	0	109.4	E76 Y80 K82 W83	E76-L78 HydrophobicContact CB-CB 4.38Å; E76-L78 HydrophobicContact CB-CD1 3.67Å; E76-L78 HydrophobicContact CB-CG 3.54Å; E76-L78 HydrophobicContact CG-CD1 4.45Å; E76-L78 WeakPolarHBondContact O-CG 3.37Å; E76-L78 PolarHBondContact O-N 2.71Å; E76-L78 WeakPolarHBondContact OE2-CD1 3.44Å; L78-Y80 PolarHBondContact O-N 3.36Å; L78-K82 HydrophobicContact CB-CB 4.26Å; L78-K82 HydrophobicContact CD1-CG 4.25Å; L78-K82 HydrophobicContact CD2-CB 4.2Å; L78-K82 HydrophobicContact CD2-CD 3.56Å; L78-K82 HydrophobicContact CD2-CG 3.81Å; L78-K82 HydrophobicContact CG-CG 4.48Å; L78-W83 HydrophobicContact CB-CB 4.37Å; L78-W83 HydrophobicContact CD1-CB 4.46Å
79	S	50.5	Low	49.6	Very low	64 Å²	64	79.9 Å²	79.9	45%	0.448	41%	0.411	S	S	.	.			trans	-55.2	144.8	160.3	70.8	0	0	0	0	108.6	F81 K82 W83	S79-F81 PolarHBondContact O-N 3.31Å; S79-K82 PolarHBondContact O-N 3.15Å; S79-K82 PolarHBondContact OG-N 2.88Å; S79-W83 PolarHBondContact O-N 2.87Å; S79-W83 VanDerWaalsContact O-N 3.14Å
80	Y	48.5	Very low	50.3	Low	46 Å²	46	82.7 Å²	82.7	18%	0.18	42%	0.419	C	S	.	.	H	α-helix	trans	-48.2	-36.1	177.7	-171.2	-91.5	0	0	0	111.8	L53 R54 L57 L73 L78 W83 A84	L53-Y80 HydrophobicContact CB-CE1 4.31Å; R54-Y80 WeakPolarHBondContact CA-OH 3.34Å; R54-Y80 HydrophobicContact CB-CD1 4.28Å; R54-Y80 HydrophobicContact CB-CE1 3.49Å; R54-Y80 VanDerWaalsContact CB-CE1 3.49Å; R54-Y80 HydrophobicContact CB-CE2 4.27Å; R54-Y80 HydrophobicContact CG-CE1 4.05Å; R54-Y80 HydrophobicContact CG-CE2 3.91Å; R54-Y80 WeakPolarHBondContact CG-OH 3.29Å; L57-Y80 HydrophobicContact CD1-CE1 4.25Å; L73-Y80 HydrophobicContact CD1-CE2 4.43Å; L73-Y80 HydrophobicContact CD2-CD2 3.75Å; L73-Y80 HydrophobicContact CD2-CE2 3.79Å; L78-Y80 PolarHBondContact O-N 3.36Å; Y80-W83 HydrophobicContact CD2-CE3 4.49Å; Y80-W83 HydrophobicContact CE2-CE3 4.04Å; Y80-W83 HydrophobicContact CE2-CZ3 4.01Å; Y80-W83 AromaticContact CZ-CZ3 3.89Å; Y80-A84 HydrophobicContact CE1-CB 4.39Å; Y80-A84 WeakPolarHBondContact O-CB 3.11Å; Y80-A84 PolarHBondContact O-N 2.88Å
81	F	48	Very low	50.8	Low	72 Å²	72	78.6 Å²	78.6	32%	0.316	40%	0.399	S	S	.	.	H	α-helix	trans	-59.9	-49.3	175.4	-179.5	-103.5	0	0	0	113.5	Y49 L53 S79 A84 H85	Y49-F81 HydrophobicContact CD1-CD2 4.39Å; Y49-F81 HydrophobicContact CD1-CE2 4.46Å; Y49-F81 AromaticContact CE1-CD2 3.87Å; Y49-F81 HydrophobicContact CE1-CD2 3.87Å; Y49-F81 AromaticContact CE1-CE2 3.57Å; Y49-F81 HydrophobicContact CE1-CE2 3.57Å; L53-F81 HydrophobicContact CD1-CD2 3.58Å; L53-F81 HydrophobicContact CD1-CE2 4.04Å; S79-F81 PolarHBondContact O-N 3.31Å; F81-A84 WeakPolarHBondContact O-CB 3.47Å; F81-A84 PolarHBondContact O-N 3.45Å; F81-H85 AromaticContact CE1-CD2 3.9Å; F81-H85 AromaticContact CE2-CD2 3.47Å; F81-H85 VanDerWaalsContact CE2-CD2 3.47Å; F81-H85 WeakPolarHBondContact CE2-CD2 3.42Å; F81-H85 AromaticContact CE2-NE2 3.92Å; F81-H85 AromaticContact CZ-CD2 3.27Å; F81-H85 WeakPolarHBondContact CZ-CD2 3.42Å; F81-H85 AromaticContact CZ-NE2 3.61Å; F81-H85 WeakPolarHBondContact O-CB 3.41Å; F81-H85 PolarHBondContact O-N 3.35Å
82	K	54.6	Low	51	Low	112 Å²	112	80.4 Å²	80.4	49%	0.487	41%	0.407	S	S	.	.	H	α-helix	trans	-69.5	-38.1	-177.4	-170.7	164.1	161.2	-163.6	0	111.1	L78 S79 Q86	L78-K82 HydrophobicContact CB-CB 4.26Å; L78-K82 HydrophobicContact CD1-CG 4.25Å; L78-K82 HydrophobicContact CD2-CB 4.2Å; L78-K82 HydrophobicContact CD2-CD 3.56Å; L78-K82 HydrophobicContact CD2-CG 3.81Å; L78-K82 HydrophobicContact CG-CG 4.48Å; S79-K82 PolarHBondContact O-N 3.15Å; S79-K82 PolarHBondContact OG-N 2.88Å; K82-Q86 WeakPolarHBondContact O-CB 3.38Å; K82-Q86 WeakPolarHBondContact O-CG 3.06Å; K82-Q86 PolarHBondContact O-N 2.82Å
83	W	57.3	Low	51.5	Low	25 Å²	25	80.3 Å²	80.3	10%	0.095	40%	0.403	C	S	.	.	H	α-helix	trans	-61.8	-47.5	170.7	174.8	80.9	0	0	0	111.9	L57 I61 C72 L73 L78 S79 Y80 H85 Q86 T87	L57-W83 HydrophobicContact CD1-CE3 4.31Å; L57-W83 HydrophobicContact CD1-CZ3 3.76Å; I61-W83 HydrophobicContact CD1-CH2 4.08Å; C72-W83 HydrophobicContact CB-CZ2 4.37Å; L73-W83 HydrophobicContact CD2-CD2 3.8Å; L73-W83 HydrophobicContact CD2-CE3 3.82Å; L73-W83 HydrophobicContact CD2-CG 4.19Å; L73-W83 HydrophobicContact CD2-CZ3 4.28Å; L78-W83 HydrophobicContact CB-CB 4.37Å; L78-W83 HydrophobicContact CD1-CB 4.46Å; S79-W83 PolarHBondContact O-N 2.87Å; S79-W83 VanDerWaalsContact O-N 3.14Å; Y80-W83 HydrophobicContact CD2-CE3 4.49Å; Y80-W83 HydrophobicContact CE2-CE3 4.04Å; Y80-W83 HydrophobicContact CE2-CZ3 4.01Å; Y80-W83 AromaticContact CZ-CZ3 3.89Å; W83-H85 PolarHBondContact O-N 3.41Å; W83-Q86 PolarHBondContact O-N 3.23Å; W83-T87 HydrophobicContact CZ2-CG2 4.44Å; W83-T87 PolarHBondContact NE1-OG1 3.34Å; W83-T87 VanDerWaalsContact O-CB 3.27Å; W83-T87 WeakPolarHBondContact O-CB 3.45Å; W83-T87 PolarHBondContact O-N 3.21Å; W83-T87 PolarHBondContact O-OG1 3.4Å
84	A	53.6	Low	51.8	Low	0 Å²	0	81.8 Å²	81.8	0%	0	41%	0.411	C	S	.	.	H	α-helix	trans	-55.1	-53	177.1	0	0	0	0	0	110.7	L57 Y80 F81 Q86 T87 I88	L57-A84 HydrophobicContact CD1-CB 3.31Å; Y80-A84 HydrophobicContact CE1-CB 4.39Å; Y80-A84 WeakPolarHBondContact O-CB 3.11Å; Y80-A84 PolarHBondContact O-N 2.88Å; F81-A84 WeakPolarHBondContact O-CB 3.47Å; F81-A84 PolarHBondContact O-N 3.45Å; A84-Q86 PolarHBondContact O-N 3.01Å; A84-T87 WeakPolarHBondContact O-CB 3.33Å; A84-T87 PolarHBondContact O-N 2.69Å; A84-I88 VanDerWaalsContact O-CD1 3.22Å; A84-I88 WeakPolarHBondContact O-CD1 3.24Å; A84-I88 WeakPolarHBondContact O-CG1 3.22Å; A84-I88 PolarHBondContact O-N 3.34Å
85	H	53.5	Low	52.2	Low	83 Å²	83	76.1 Å²	76.1	38%	0.384	39%	0.39	S	S	.	.	H	α-helix	trans	-60.1	-47.5	179.1	-115.5	-81.7	0	0	0	112.6	F81 W83 T87 I88 S89	F81-H85 AromaticContact CE1-CD2 3.9Å; F81-H85 AromaticContact CE2-CD2 3.47Å; F81-H85 VanDerWaalsContact CE2-CD2 3.47Å; F81-H85 WeakPolarHBondContact CE2-CD2 3.42Å; F81-H85 AromaticContact CE2-NE2 3.92Å; F81-H85 AromaticContact CZ-CD2 3.27Å; F81-H85 WeakPolarHBondContact CZ-CD2 3.42Å; F81-H85 AromaticContact CZ-NE2 3.61Å; F81-H85 WeakPolarHBondContact O-CB 3.41Å; F81-H85 PolarHBondContact O-N 3.35Å; W83-H85 PolarHBondContact O-N 3.41Å; H85-T87 VanDerWaalsContact C-N 3.29Å; H85-T87 PolarHBondContact O-N 2.91Å; H85-I88 PolarHBondContact O-N 3.29Å; H85-S89 WeakPolarHBondContact O-CB 3.5Å; H85-S89 PolarHBondContact O-N 2.76Å; H85-S89 PolarHBondContact O-OG 3.37Å; H85-S89 VanDerWaalsContact O-OG 3.13Å
86	Q	58.4	Low	52.7	Low	79 Å²	79	73.7 Å²	73.7	37%	0.369	39%	0.385	S	S	.	.	H	α-helix	trans	-63.2	-38	177.5	-77.9	176.3	-21.7	0	0	111.7	E76 K82 W83 A84 S89 K90	E76-Q86 PolarHBondContact OE2-OE1 2.97Å; K82-Q86 WeakPolarHBondContact O-CB 3.38Å; K82-Q86 WeakPolarHBondContact O-CG 3.06Å; K82-Q86 PolarHBondContact O-N 2.82Å; W83-Q86 PolarHBondContact O-N 3.23Å; A84-Q86 PolarHBondContact O-N 3.01Å; Q86-S89 PolarHBondContact O-N 3.23Å; Q86-K90 WeakPolarHBondContact O-CA 3.33Å; Q86-K90 WeakPolarHBondContact O-CB 3.3Å; Q86-K90 PolarHBondContact O-N 3.47Å
87	T	56.7	Low	53.3	Low	12 Å²	12	72.4 Å²	72.4	7%	0.074	38%	0.379	C	S	.	.	H	α-helix	trans	-64.2	-45.4	175.9	-58	0	0	0	0	110.1	F67 W83 A84 H85 S89 K90 Y91	F67-T87 HydrophobicContact CD1-CG2 4.23Å; F67-T87 HydrophobicContact CE1-CG2 3.63Å; W83-T87 HydrophobicContact CZ2-CG2 4.44Å; W83-T87 PolarHBondContact NE1-OG1 3.34Å; W83-T87 VanDerWaalsContact O-CB 3.27Å; W83-T87 WeakPolarHBondContact O-CB 3.45Å; W83-T87 PolarHBondContact O-N 3.21Å; W83-T87 PolarHBondContact O-OG1 3.4Å; A84-T87 WeakPolarHBondContact O-CB 3.33Å; A84-T87 PolarHBondContact O-N 2.69Å; H85-T87 VanDerWaalsContact C-N 3.29Å; H85-T87 PolarHBondContact O-N 2.91Å; T87-S89 VanDerWaalsContact C-N 3.34Å; T87-S89 PolarHBondContact O-N 3.14Å; T87-K90 PolarHBondContact O-N 2.81Å; T87-Y91 HydrophobicContact CG2-CD2 3.94Å; T87-Y91 HydrophobicContact CG2-CE2 4.11Å; T87-Y91 VanDerWaalsContact O-CD2 3.23Å; T87-Y91 WeakPolarHBondContact O-CD2 3.32Å; T87-Y91 PolarHBondContact O-N 2.78Å
88	I	53.3	Low	53.7	Low	15 Å²	15	68.8 Å²	68.8	8%	0.077	34%	0.341	C	S	.	.	H	α-helix	trans	-59.6	-46.8	176.6	-64.7	154	0	0	0	110.9	L57 A84 H85 L93 F98	L57-I88 HydrophobicContact CD2-CD1 4.41Å; L57-I88 HydrophobicContact CD2-CG1 4.09Å; A84-I88 VanDerWaalsContact O-CD1 3.22Å; A84-I88 WeakPolarHBondContact O-CD1 3.24Å; A84-I88 WeakPolarHBondContact O-CG1 3.22Å; A84-I88 PolarHBondContact O-N 3.34Å; H85-I88 PolarHBondContact O-N 3.29Å; I88-L93 HydrophobicContact CG1-CD1 4.32Å; I88-L93 HydrophobicContact CG2-CB 4.19Å; I88-L93 PolarHBondContact O-N 3.34Å; I88-F98 HydrophobicContact CB-CE1 4.36Å; I88-F98 HydrophobicContact CD1-CE1 3.38Å; I88-F98 HydrophobicContact CD1-CZ 3.69Å; I88-F98 HydrophobicContact CG1-CE1 3.49Å; I88-F98 VanDerWaalsContact CG1-CE1 3.49Å; I88-F98 HydrophobicContact CG1-CZ 3.88Å; I88-F98 HydrophobicContact CG2-CD1 4.25Å; I88-F98 HydrophobicContact CG2-CE1 3.88Å
89	S	54.7	Low	54.2	Low	79 Å²	79	70.8 Å²	70.8	55%	0.552	36%	0.355	S	S	*	.	H	α-helix	trans	-66.7	-48.7	179.3	-64.8	0	0	0	0	112.8	H85 Q86 T87 Y91 H92	H85-S89 WeakPolarHBondContact O-CB 3.5Å; H85-S89 PolarHBondContact O-N 2.76Å; H85-S89 PolarHBondContact O-OG 3.37Å; H85-S89 VanDerWaalsContact O-OG 3.13Å; Q86-S89 PolarHBondContact O-N 3.23Å; T87-S89 VanDerWaalsContact C-N 3.34Å; T87-S89 PolarHBondContact O-N 3.14Å; S89-Y91 PolarHBondContact O-N 3.21Å; S89-H92 PolarHBondContact O-N 3.14Å; S89-H92 VanDerWaalsContact O-N 3.14Å
90	K	56	Low	54.8	Low	152 Å²	152	74.7 Å²	74.7	66%	0.661	36%	0.36	S	S	*	.	H	α-helix	trans	-60	-37.9	-175.5	178.4	175.9	-178.1	178.3	0	111.7	Q86 T87 H92	Q86-K90 WeakPolarHBondContact O-CA 3.33Å; Q86-K90 WeakPolarHBondContact O-CB 3.3Å; Q86-K90 PolarHBondContact O-N 3.47Å; T87-K90 PolarHBondContact O-N 2.81Å; K90-H92 VanDerWaalsContact C-N 3.27Å; K90-H92 PolarHBondContact O-N 3.5Å
91	Y	52.5	Low	55.4	Low	101 Å²	101	75.1 Å²	75.1	40%	0.396	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	13.9	-175.6	-70	-83.3	0	0	0	113.5	F67 T87 S89 L93	F67-Y91 HydrophobicContact CD1-CD2 4.37Å; F67-Y91 AromaticContact CD1-CE2 3.89Å; F67-Y91 HydrophobicContact CD1-CE2 3.89Å; F67-Y91 AromaticContact CD1-CZ 3.96Å; F67-Y91 HydrophobicContact CD2-CE1 4.06Å; F67-Y91 AromaticContact CE1-CD1 3.95Å; F67-Y91 HydrophobicContact CE1-CD1 3.95Å; F67-Y91 AromaticContact CE1-CD2 3.14Å; F67-Y91 HydrophobicContact CE1-CD2 3.14Å; F67-Y91 AromaticContact CE1-CE1 3.81Å; F67-Y91 HydrophobicContact CE1-CE1 3.81Å; F67-Y91 AromaticContact CE1-CE2 2.99Å; F67-Y91 HydrophobicContact CE1-CE2 2.99Å; F67-Y91 AromaticContact CE1-CG 3.61Å; F67-Y91 HydrophobicContact CE1-CG 3.61Å; F67-Y91 AromaticContact CE1-CZ 3.31Å; F67-Y91 AromaticContact CE2-CD1 3.31Å; F67-Y91 HydrophobicContact CE2-CD1 3.31Å; F67-Y91 HydrophobicContact CE2-CD2 4.14Å; F67-Y91 AromaticContact CE2-CE1 3.12Å; F67-Y91 HydrophobicContact CE2-CE1 3.12Å; F67-Y91 HydrophobicContact CE2-CE2 4.02Å; F67-Y91 AromaticContact CE2-CG 3.79Å; F67-Y91 HydrophobicContact CE2-CG 3.79Å; F67-Y91 AromaticContact CE2-CZ 3.48Å; F67-Y91 VanDerWaalsContact CE2-CZ 3.48Å; F67-Y91 AromaticContact CZ-CD1 3.01Å; F67-Y91 HydrophobicContact CZ-CD1 3.01Å; F67-Y91 AromaticContact CZ-CD2 3.07Å; F67-Y91 HydrophobicContact CZ-CD2 3.07Å; F67-Y91 AromaticContact CZ-CE1 3.1Å; F67-Y91 HydrophobicContact CZ-CE1 3.1Å; F67-Y91 AromaticContact CZ-CE2 3.19Å; F67-Y91 HydrophobicContact CZ-CE2 3.19Å; F67-Y91 AromaticContact CZ-CG 2.95Å; F67-Y91 HydrophobicContact CZ-CG 2.95Å; F67-Y91 AromaticContact CZ-CZ 3.15Å; T87-Y91 HydrophobicContact CG2-CD2 3.94Å; T87-Y91 HydrophobicContact CG2-CE2 4.11Å; T87-Y91 VanDerWaalsContact O-CD2 3.23Å; T87-Y91 WeakPolarHBondContact O-CD2 3.32Å; T87-Y91 PolarHBondContact O-N 2.78Å; S89-Y91 PolarHBondContact O-N 3.21Å; Y91-L93 PolarHBondContact O-N 3.1Å
92	H	49.4	Very low	56	Low	142 Å²	142	72.2 Å²	72.2	66%	0.657	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	40.4	53.3	-179	-66.5	-70.6	0	0	0	109.5	S89 K90 N94	S89-H92 PolarHBondContact O-N 3.14Å; S89-H92 VanDerWaalsContact O-N 3.14Å; K90-H92 VanDerWaalsContact C-N 3.27Å; K90-H92 PolarHBondContact O-N 3.5Å; H92-N94 PolarHBondContact O-N 2.89Å
93	L	52	Low	56.4	Low	48 Å²	48	70.8 Å²	70.8	25%	0.251	35%	0.348	S	S	.	.			trans	-67.9	66.3	162.2	-64.4	178.5	0	0	0	105.8	I88 Y91 D95	I88-L93 HydrophobicContact CG1-CD1 4.32Å; I88-L93 HydrophobicContact CG2-CB 4.19Å; I88-L93 PolarHBondContact O-N 3.34Å; Y91-L93 PolarHBondContact O-N 3.1Å; L93-D95 PolarHBondContact O-N 2.89Å
94	N	49.6	Very low	56.9	Low	125 Å²	125	73.9 Å²	73.9	67%	0.668	37%	0.367	S	S	*	.			trans	-63.1	9.6	165.7	-75.7	-7	0	0	0	110.7	H92 T96	H92-N94 PolarHBondContact O-N 2.89Å; N94-T96 PolarHBondContact O-N 3.09Å
95	D	54.8	Low	57.4	Low	67 Å²	67	78.2 Å²	78.2	36%	0.358	38%	0.383	S	S	.	.			trans	-63.8	79	161.3	-160.6	-23.4	0	0	0	108.5	R60 L93 Q97 F98 V99	R60-D95 IonicContact CZ-OD2 2.61Å; R60-D95 IonicContact NH1-OD2 3.83Å; R60-D95 PolarHBondContact NH1-OD2 2.71Å; R60-D95 VanDerWaalsContact NH2-CG 3.35Å; R60-D95 IonicContact NH2-OD1 3.92Å; R60-D95 IonicContact NH2-OD2 2.94Å; R60-D95 PolarHBondContact NH2-OD2 3.44Å; L93-D95 PolarHBondContact O-N 2.89Å; D95-Q97 PolarHBondContact O-N 2.87Å; D95-Q97 VanDerWaalsContact OD1-CB 3.24Å; D95-Q97 WeakPolarHBondContact OD1-CB 3.34Å; D95-Q97 PolarHBondContact OD1-N 3.32Å; D95-F98 HydrophobicContact CB-CB 4.29Å; D95-F98 WeakPolarHBondContact O-CB 3.38Å; D95-F98 PolarHBondContact O-N 3.32Å; D95-V99 PolarHBondContact O-N 3.38Å
96	T	58.7	Low	57.8	Low	89 Å²	89	77.6 Å²	77.6	55%	0.546	38%	0.379	S	S	.	.	H	α-helix	trans	-51.1	-27.4	174.7	47.8	0	0	0	0	111.2	N94 R100	N94-T96 PolarHBondContact O-N 3.09Å; T96-R100 WeakPolarHBondContact O-CB 3.34Å; T96-R100 WeakPolarHBondContact O-CG 3.48Å; T96-R100 PolarHBondContact O-N 3.11Å
97	Q	61	Low	58.1	Low	93 Å²	93	77.6 Å²	77.6	44%	0.435	38%	0.379	S	S	.	.	H	α-helix	trans	-64.6	-41.7	173.8	-169.4	58.9	37	0	0	111.6	D95 R100 D101	D95-Q97 PolarHBondContact O-N 2.87Å; D95-Q97 VanDerWaalsContact OD1-CB 3.24Å; D95-Q97 WeakPolarHBondContact OD1-CB 3.34Å; D95-Q97 PolarHBondContact OD1-N 3.32Å; Q97-R100 CarbonylContact O-C 2.82Å; Q97-R100 WeakPolarHBondContact O-CB 3.31Å; Q97-R100 PolarHBondContact O-N 3.49Å; Q97-D101 PolarHBondContact NE2-OD1 3.13Å; Q97-D101 WeakPolarHBondContact O-CB 3.37Å; Q97-D101 PolarHBondContact O-N 2.98Å
98	F	56.2	Low	58.5	Low	2 Å²	2	81.9 Å²	81.9	1%	0.009	39%	0.394	C	S	.	.	H	α-helix	trans	-68.6	-43.4	178.1	169.2	-87.6	0	0	0	113.7	L56 L57 R60 I88 D95 R100 D101 V102	L56-F98 HydrophobicContact CD2-CD2 3.35Å; L56-F98 HydrophobicContact CD2-CE2 3.22Å; L56-F98 HydrophobicContact CD2-CZ 4.43Å; L56-F98 HydrophobicContact CG-CE2 4.43Å; L57-F98 HydrophobicContact CD2-CZ 4.13Å; R60-F98 VanDerWaalsContact CD-CD2 3.48Å; R60-F98 VanDerWaalsContact NE-CD2 3.31Å; I88-F98 HydrophobicContact CB-CE1 4.36Å; I88-F98 HydrophobicContact CD1-CE1 3.38Å; I88-F98 HydrophobicContact CD1-CZ 3.69Å; I88-F98 HydrophobicContact CG1-CE1 3.49Å; I88-F98 VanDerWaalsContact CG1-CE1 3.49Å; I88-F98 HydrophobicContact CG1-CZ 3.88Å; I88-F98 HydrophobicContact CG2-CD1 4.25Å; I88-F98 HydrophobicContact CG2-CE1 3.88Å; D95-F98 HydrophobicContact CB-CB 4.29Å; D95-F98 WeakPolarHBondContact O-CB 3.38Å; D95-F98 PolarHBondContact O-N 3.32Å; F98-R100 PolarHBondContact O-N 3.11Å; F98-D101 PolarHBondContact O-N 3.25Å; F98-V102 HydrophobicContact CD1-CG2 4.25Å; F98-V102 HydrophobicContact CD2-CG2 4.25Å; F98-V102 HydrophobicContact CE1-CG2 3.83Å; F98-V102 HydrophobicContact CE2-CG2 3.93Å; F98-V102 HydrophobicContact CG-CG2 4.42Å; F98-V102 HydrophobicContact CZ-CG2 3.68Å; F98-V102 WeakPolarHBondContact O-CB 3.4Å; F98-V102 WeakPolarHBondContact O-CG2 3.29Å; F98-V102 PolarHBondContact O-N 3.03Å
99	V	58.6	Low	58.7	Low	80 Å²	80	81.6 Å²	81.6	49%	0.485	39%	0.393	S	S	.	.	H	α-helix	trans	-59.2	-41	175.5	178.3	0	0	0	0	109.4	D95 Q103	D95-V99 PolarHBondContact O-N 3.38Å; V99-Q103 VanDerWaalsContact O-CB 3.25Å; V99-Q103 WeakPolarHBondContact O-CB 3.05Å; V99-Q103 PolarHBondContact O-N 3.3Å
100	R	63.9	Low	59.1	Low	146 Å²	146	81.2 Å²	81.2	55%	0.551	38%	0.382	S	S	*	.	H	α-helix	trans	-63.9	-46.5	172.6	-73.6	174.9	-165.5	177.3	4.1	112.8	T96 Q97 F98 V102 Q103 N104	T96-R100 WeakPolarHBondContact O-CB 3.34Å; T96-R100 WeakPolarHBondContact O-CG 3.48Å; T96-R100 PolarHBondContact O-N 3.11Å; Q97-R100 CarbonylContact O-C 2.82Å; Q97-R100 WeakPolarHBondContact O-CB 3.31Å; Q97-R100 PolarHBondContact O-N 3.49Å; F98-R100 PolarHBondContact O-N 3.11Å; R100-V102 VanDerWaalsContact C-N 3.29Å; R100-V102 PolarHBondContact O-N 3.35Å; R100-Q103 PolarHBondContact O-N 3.48Å; R100-N104 VanDerWaalsContact O-CB 3.24Å; R100-N104 WeakPolarHBondContact O-CB 3.45Å; R100-N104 PolarHBondContact O-N 2.81Å; R100-N104 PolarHBondContact O-ND2 3.45Å; R100-N104 PolarHBondContact O-OD1 3.09Å
101	D	61.3	Low	59.5	Low	56 Å²	56	79.8 Å²	79.8	30%	0.299	38%	0.378	S	S	.	.	H	α-helix	trans	-64.1	-36.4	-178.4	-68.1	-17.5	0	0	0	111.8	Y52 Q97 F98 R105	Y52-D101 PolarHBondContact OH-O 3.06Å; Q97-D101 PolarHBondContact NE2-OD1 3.13Å; Q97-D101 WeakPolarHBondContact O-CB 3.37Å; Q97-D101 PolarHBondContact O-N 2.98Å; F98-D101 PolarHBondContact O-N 3.25Å; D101-R105 WeakPolarHBondContact O-CB 3.19Å; D101-R105 PolarHBondContact O-N 2.92Å; D101-R105 VanDerWaalsContact O-N 3.13Å
102	V	59.8	Low	59.9	Low	10 Å²	10	81 Å²	81	6%	0.061	38%	0.382	C	S	.	.	H	α-helix	trans	-67.4	-48	174.1	168.3	0	0	0	0	110.7	Y49 L53 F98 R100 R105 K106	Y49-V102 HydrophobicContact CE2-CG1 4.18Å; Y49-V102 WeakPolarHBondContact OH-CG1 3.37Å; L53-V102 HydrophobicContact CD2-CB 4.5Å; L53-V102 HydrophobicContact CD2-CG1 3.61Å; L53-V102 HydrophobicContact CD2-CG2 4Å; F98-V102 HydrophobicContact CD1-CG2 4.25Å; F98-V102 HydrophobicContact CD2-CG2 4.25Å; F98-V102 HydrophobicContact CE1-CG2 3.83Å; F98-V102 HydrophobicContact CE2-CG2 3.93Å; F98-V102 HydrophobicContact CG-CG2 4.42Å; F98-V102 HydrophobicContact CZ-CG2 3.68Å; F98-V102 WeakPolarHBondContact O-CB 3.4Å; F98-V102 WeakPolarHBondContact O-CG2 3.29Å; F98-V102 PolarHBondContact O-N 3.03Å; R100-V102 VanDerWaalsContact C-N 3.29Å; R100-V102 PolarHBondContact O-N 3.35Å; V102-R105 PolarHBondContact O-N 3.38Å; V102-K106 PolarHBondContact O-N 2.84Å
103	Q	64.1	Low	60.3	Low	83 Å²	83	75.3 Å²	75.3	39%	0.388	36%	0.356	S	S	.	.	H	α-helix	trans	-62.5	-49	178.3	-175.8	62	25.4	0	0	111.9	V99 R100 R105 K106 E107	V99-Q103 VanDerWaalsContact O-CB 3.25Å; V99-Q103 WeakPolarHBondContact O-CB 3.05Å; V99-Q103 PolarHBondContact O-N 3.3Å; R100-Q103 PolarHBondContact O-N 3.48Å; Q103-R105 PolarHBondContact O-N 3.41Å; Q103-K106 WeakPolarHBondContact O-CB 3.5Å; Q103-K106 PolarHBondContact O-N 2.96Å; Q103-E107 WeakPolarHBondContact CG-OE1 3.46Å; Q103-E107 PolarHBondContact NE2-OE1 3.21Å; Q103-E107 PolarHBondContact O-N 2.74Å
104	N	66.9	Low	60.8	Low	89 Å²	89	79.1 Å²	79.1	48%	0.476	37%	0.373	S	S	.	.	H	α-helix	trans	-57.3	-37.1	176.7	-69.6	-13.2	0	0	0	111.5	R100 W108	R100-N104 VanDerWaalsContact O-CB 3.24Å; R100-N104 WeakPolarHBondContact O-CB 3.45Å; R100-N104 PolarHBondContact O-N 2.81Å; R100-N104 PolarHBondContact O-ND2 3.45Å; R100-N104 PolarHBondContact O-OD1 3.09Å; N104-W108 WeakPolarHBondContact O-CB 3.46Å; N104-W108 PolarHBondContact O-N 2.96Å
105	R	63.9	Low	61.1	Low	92 Å²	92	76.2 Å²	76.2	35%	0.347	36%	0.362	S	S	.	.	H	α-helix	trans	-72.6	-37.7	177.2	-169.6	65.6	165.8	179.2	-0.6	112.4	Y52 D101 V102 Q103 W108 L109	Y52-R105 HydrophobicContact CD1-CB 3.96Å; Y52-R105 HydrophobicContact CD1-CG 3.63Å; Y52-R105 HydrophobicContact CD2-CG 3.89Å; Y52-R105 HydrophobicContact CE1-CB 3.36Å; Y52-R105 HydrophobicContact CE1-CG 3.45Å; Y52-R105 VanDerWaalsContact CE1-CG 3.45Å; Y52-R105 HydrophobicContact CE2-CB 4.28Å; Y52-R105 HydrophobicContact CE2-CG 3.7Å; Y52-R105 HydrophobicContact CG-CG 3.81Å; Y52-R105 VanDerWaalsContact CZ-CG 3.45Å; D101-R105 WeakPolarHBondContact O-CB 3.19Å; D101-R105 PolarHBondContact O-N 2.92Å; D101-R105 VanDerWaalsContact O-N 3.13Å; V102-R105 PolarHBondContact O-N 3.38Å; Q103-R105 PolarHBondContact O-N 3.41Å; R105-W108 PolarHBondContact O-N 3.39Å; R105-L109 WeakPolarHBondContact O-CG 3.32Å; R105-L109 PolarHBondContact O-N 3.28Å
106	K	61.4	Low	61	Low	69 Å²	69	77 Å²	77	30%	0.3	36%	0.364	S	S	.	.	H	α-helix	trans	-57.6	-52.4	173.5	-171.3	-178.8	166.8	-175.5	0	109.9	Y49 V102 Q103 W108 L109 E110	Y49-K106 HydrophobicContact CD2-CB 4.03Å; Y49-K106 HydrophobicContact CD2-CG 4.25Å; Y49-K106 HydrophobicContact CE1-CD 4.31Å; Y49-K106 HydrophobicContact CE2-CB 3.51Å; Y49-K106 HydrophobicContact CE2-CD 4.43Å; Y49-K106 HydrophobicContact CE2-CG 3.97Å; V102-K106 PolarHBondContact O-N 2.84Å; Q103-K106 WeakPolarHBondContact O-CB 3.5Å; Q103-K106 PolarHBondContact O-N 2.96Å; K106-W108 VanDerWaalsContact C-N 3.31Å; K106-W108 PolarHBondContact O-N 3.43Å; K106-L109 WeakPolarHBondContact O-CB 3.39Å; K106-L109 PolarHBondContact O-N 2.82Å; K106-E110 WeakPolarHBondContact CE-OE1 3.49Å; K106-E110 IonicContact NZ-OE1 3.5Å; K106-E110 WeakPolarHBondContact O-CG 3.39Å; K106-E110 PolarHBondContact O-N 2.79Å
107	E	65.3	Low	60.8	Low	79 Å²	79	73.3 Å²	73.3	37%	0.369	34%	0.342	S	S	.	.	H	α-helix	trans	-59.6	-41.3	178.3	-70.3	170.1	-166.2	0	0	111.7	Q103 L109 E110 Q111	Q103-E107 WeakPolarHBondContact CG-OE1 3.46Å; Q103-E107 PolarHBondContact NE2-OE1 3.21Å; Q103-E107 PolarHBondContact O-N 2.74Å; E107-L109 PolarHBondContact O-N 3.28Å; E107-E110 PolarHBondContact O-N 2.88Å; E107-Q111 WeakPolarHBondContact O-CB 3.35Å; E107-Q111 WeakPolarHBondContact O-CG 3.45Å; E107-Q111 PolarHBondContact O-N 3.32Å
108	W	66.1	Low	60.5	Low	102 Å²	102	71.3 Å²	71.3	39%	0.386	34%	0.341	S	S	.	.	H	α-helix	trans	-62.8	-39	174.7	-179.8	85.9	0	0	0	113.1	N104 R105 K106 R112	N104-W108 WeakPolarHBondContact O-CB 3.46Å; N104-W108 PolarHBondContact O-N 2.96Å; R105-W108 PolarHBondContact O-N 3.39Å; K106-W108 VanDerWaalsContact C-N 3.31Å; K106-W108 PolarHBondContact O-N 3.43Å; W108-R112 VanDerWaalsContact CH2-CD 3.4Å; W108-R112 VanDerWaalsContact O-CB 3.29Å; W108-R112 WeakPolarHBondContact O-CB 3.24Å; W108-R112 PolarHBondContact O-N 2.84Å
109	L	57.1	Low	60.3	Low	10 Å²	10	75.7 Å²	75.7	5%	0.052	37%	0.368	C	S	.	.	H	α-helix	trans	-67.7	-40.4	176.2	-76.8	170.8	0	0	0	111.3	K48 Y49 R105 K106 E107 R112 L113	K48-L109 HydrophobicContact CB-CD1 4.37Å; K48-L109 HydrophobicContact CB-CD2 4.25Å; Y49-L109 HydrophobicContact CD2-CD1 4.13Å; R105-L109 WeakPolarHBondContact O-CG 3.32Å; R105-L109 PolarHBondContact O-N 3.28Å; K106-L109 WeakPolarHBondContact O-CB 3.39Å; K106-L109 PolarHBondContact O-N 2.82Å; E107-L109 PolarHBondContact O-N 3.28Å; L109-R112 PolarHBondContact O-N 3.25Å; L109-L113 WeakPolarHBondContact O-CB 3.41Å; L109-L113 PolarHBondContact O-N 3.31Å
110	E	61.9	Low	59.9	Low	70 Å²	70	74 Å²	74	33%	0.327	35%	0.354	S	S	.	.	H	α-helix	trans	-61.7	-50.1	174.8	-71.5	170.2	166.9	0	0	110.6	V45 K106 E107 R112 L113 E114	V45-E110 HydrophobicContact CG1-CG 4.31Å; K106-E110 WeakPolarHBondContact CE-OE1 3.49Å; K106-E110 IonicContact NZ-OE1 3.5Å; K106-E110 WeakPolarHBondContact O-CG 3.39Å; K106-E110 PolarHBondContact O-N 2.79Å; E107-E110 PolarHBondContact O-N 2.88Å; E110-R112 VanDerWaalsContact C-N 3.33Å; E110-R112 PolarHBondContact O-N 3.17Å; E110-L113 WeakPolarHBondContact O-CB 3.4Å; E110-L113 PolarHBondContact O-N 3.49Å; E110-L113 VanDerWaalsContact O-N 3.15Å; E110-E114 WeakPolarHBondContact O-CG 3.02Å; E110-E114 PolarHBondContact O-N 2.94Å
111	Q	64.6	Low	59.4	Low	122 Å²	122	70.4 Å²	70.4	57%	0.57	35%	0.346	S	S	*	.	H	α-helix	trans	-60	-40.5	175.6	-73.6	176.5	-0.8	0	0	112.8	E107 L113 E114 S115	E107-Q111 WeakPolarHBondContact O-CB 3.35Å; E107-Q111 WeakPolarHBondContact O-CG 3.45Å; E107-Q111 PolarHBondContact O-N 3.32Å; Q111-L113 VanDerWaalsContact C-N 3.34Å; Q111-E114 PolarHBondContact O-N 3.08Å; Q111-S115 PolarHBondContact O-N 3.14Å
112	R	61.7	Low	58.9	Low	127 Å²	127	72 Å²	72	48%	0.479	36%	0.358	S	S	.	.	H	α-helix	trans	-67.2	-39.8	177.7	-172.4	168.4	-180	90.5	0.4	110.8	W108 L109 E110 S115 M116	W108-R112 VanDerWaalsContact CH2-CD 3.4Å; W108-R112 VanDerWaalsContact O-CB 3.29Å; W108-R112 WeakPolarHBondContact O-CB 3.24Å; W108-R112 PolarHBondContact O-N 2.84Å; L109-R112 PolarHBondContact O-N 3.25Å; E110-R112 VanDerWaalsContact C-N 3.33Å; E110-R112 PolarHBondContact O-N 3.17Å; R112-S115 PolarHBondContact O-N 3.49Å; R112-S115 PolarHBondContact O-OG 2.93Å; R112-M116 WeakPolarHBondContact O-CG 3.26Å; R112-M116 PolarHBondContact O-N 2.84Å
113	L	57.9	Low	58.5	Low	22 Å²	22	73.9 Å²	73.9	12%	0.115	37%	0.367	C	S	.	.	H	α-helix	trans	-62.2	-47.1	173.2	-179.8	63.5	0	0	0	110.6	R41 Y44 V45 L109 E110 Q111 S115 M116 V117	R41-L113 HydrophobicContact CB-CD2 3.8Å; R41-L113 HydrophobicContact CG-CD1 4.12Å; R41-L113 HydrophobicContact CG-CD2 4.01Å; R41-L113 HydrophobicContact CG-CG 4.28Å; R41-L113 WeakPolarHBondContact O-CD2 3.19Å; Y44-L113 HydrophobicContact CD1-CD1 4.25Å; V45-L113 HydrophobicContact CG2-CB 4.37Å; V45-L113 HydrophobicContact CG2-CD2 3.26Å; V45-L113 HydrophobicContact CG2-CG 4.41Å; L109-L113 WeakPolarHBondContact O-CB 3.41Å; L109-L113 PolarHBondContact O-N 3.31Å; E110-L113 WeakPolarHBondContact O-CB 3.4Å; E110-L113 PolarHBondContact O-N 3.49Å; E110-L113 VanDerWaalsContact O-N 3.15Å; Q111-L113 VanDerWaalsContact C-N 3.34Å; L113-S115 VanDerWaalsContact C-N 3.28Å; L113-S115 PolarHBondContact O-N 3.33Å; L113-M116 PolarHBondContact O-N 3.41Å; L113-M116 VanDerWaalsContact O-N 3.14Å; L113-V117 HydrophobicContact CD1-CG2 4.26Å; L113-V117 HydrophobicContact CG-CG2 4.26Å; L113-V117 VanDerWaalsContact O-CB 3.24Å; L113-V117 WeakPolarHBondContact O-CB 3.4Å; L113-V117 VanDerWaalsContact O-CG2 3.22Å; L113-V117 WeakPolarHBondContact O-CG2 3.39Å; L113-V117 PolarHBondContact O-N 3.22Å
114	E	61.4	Low	58.1	Low	129 Å²	129	70.9 Å²	70.9	60%	0.603	35%	0.353	S	S	*	.	H	α-helix	trans	-56.4	-40.7	175.3	-75.2	176.6	177.6	0	0	111.9	E110 Q111 V117 A118	E110-E114 WeakPolarHBondContact O-CG 3.02Å; E110-E114 PolarHBondContact O-N 2.94Å; Q111-E114 PolarHBondContact O-N 3.08Å; E114-V117 CarbonylContact O-C 3.58Å; E114-V117 WeakPolarHBondContact O-CB 3.34Å; E114-V117 PolarHBondContact O-N 3.27Å; E114-A118 WeakPolarHBondContact O-CB 3.24Å; E114-A118 PolarHBondContact O-N 2.91Å
115	S	57.1	Low	57.6	Low	64 Å²	64	72.6 Å²	72.6	45%	0.448	36%	0.359	S	S	.	.	H	α-helix	trans	-66.6	-41.2	176.4	74.9	0	0	0	0	112.6	Q111 R112 L113 V117 A118 V119	Q111-S115 PolarHBondContact O-N 3.14Å; R112-S115 PolarHBondContact O-N 3.49Å; R112-S115 PolarHBondContact O-OG 2.93Å; L113-S115 VanDerWaalsContact C-N 3.28Å; L113-S115 PolarHBondContact O-N 3.33Å; S115-V117 VanDerWaalsContact C-N 3.26Å; S115-V117 PolarHBondContact O-N 2.76Å; S115-A118 PolarHBondContact O-N 2.89Å; S115-V119 WeakPolarHBondContact O-CG2 3.41Å; S115-V119 PolarHBondContact O-N 3.4Å
116	M	52.2	Low	57	Low	82 Å²	82	73.7 Å²	73.7	40%	0.404	36%	0.363	S	S	.	.	H	α-helix	trans	-67.3	-34	175.2	-71	-179.9	66.6	0	0	111.2	R112 L113 K120	R112-M116 WeakPolarHBondContact O-CG 3.26Å; R112-M116 PolarHBondContact O-N 2.84Å; L113-M116 PolarHBondContact O-N 3.41Å; L113-M116 VanDerWaalsContact O-N 3.14Å; M116-K120 WeakPolarHBondContact O-CG 3.13Å; M116-K120 PolarHBondContact O-N 2.84Å
117	V	53.8	Low	56.6	Low	12 Å²	12	71.8 Å²	71.8	7%	0.073	36%	0.356	C	S	.	.	H	α-helix	trans	-67.3	-45.4	174.3	148.6	0	0	0	0	111.3	R41 L113 E114 S115 V119 K120 D121	R41-V117 HydrophobicContact CG-CG2 3.9Å; R41-V117 VanDerWaalsContact NH1-CG1 3.32Å; L113-V117 HydrophobicContact CD1-CG2 4.26Å; L113-V117 HydrophobicContact CG-CG2 4.26Å; L113-V117 VanDerWaalsContact O-CB 3.24Å; L113-V117 WeakPolarHBondContact O-CB 3.4Å; L113-V117 VanDerWaalsContact O-CG2 3.22Å; L113-V117 WeakPolarHBondContact O-CG2 3.39Å; L113-V117 PolarHBondContact O-N 3.22Å; E114-V117 CarbonylContact O-C 3.58Å; E114-V117 WeakPolarHBondContact O-CB 3.34Å; E114-V117 PolarHBondContact O-N 3.27Å; S115-V117 VanDerWaalsContact C-N 3.26Å; S115-V117 PolarHBondContact O-N 2.76Å; V117-V119 PolarHBondContact O-N 2.95Å; V117-K120 CarbonylContact O-C 3.49Å; V117-K120 VanDerWaalsContact O-CA 3.31Å; V117-K120 WeakPolarHBondContact O-CA 3.44Å; V117-K120 WeakPolarHBondContact O-CB 3.26Å; V117-K120 PolarHBondContact O-N 3.49Å; V117-D121 PolarHBondContact O-N 2.83Å
118	A	54.3	Low	56.3	Low	51 Å²	51	71.7 Å²	71.7	42%	0.421	36%	0.356	S	S	.	.	H	α-helix	trans	-60.6	-38.6	179.7	0	0	0	0	0	110.6	E114 S115 K120 D121 V122	E114-A118 WeakPolarHBondContact O-CB 3.24Å; E114-A118 PolarHBondContact O-N 2.91Å; S115-A118 PolarHBondContact O-N 2.89Å; A118-K120 VanDerWaalsContact C-N 3.29Å; A118-K120 PolarHBondContact O-N 3.22Å; A118-D121 PolarHBondContact O-N 2.85Å; A118-V122 WeakPolarHBondContact O-CG2 3.5Å; A118-V122 PolarHBondContact O-N 2.86Å
119	V	52	Low	55.9	Low	94 Å²	94	72.4 Å²	72.4	57%	0.57	36%	0.363	S	S	*	.	H	α-helix	trans	-58.9	-43	170.7	176.1	0	0	0	0	110.7	S115 V117 V122 D123	S115-V119 WeakPolarHBondContact O-CG2 3.41Å; S115-V119 PolarHBondContact O-N 3.4Å; V117-V119 PolarHBondContact O-N 2.95Å; V119-V122 PolarHBondContact O-N 3.34Å; V119-D123 PolarHBondContact O-N 3.44Å; V119-D123 VanDerWaalsContact O-N 3.13Å
120	K	50.7	Low	55.7	Low	45 Å²	45	72.8 Å²	72.8	20%	0.196	37%	0.365	C	S	.	.	H	α-helix	trans	-73.5	-30.3	177.6	-69.4	-171.9	178.7	-175.8	0	114.1	L37 M116 V117 A118 V122 D123 M124	L37-K120 HydrophobicContact CD1-CD 3.35Å; L37-K120 VanDerWaalsContact CD1-NZ 3.34Å; L37-K120 HydrophobicContact CD2-CB 4.21Å; L37-K120 HydrophobicContact CD2-CD 4.02Å; L37-K120 HydrophobicContact CG-CD 4.21Å; M116-K120 WeakPolarHBondContact O-CG 3.13Å; M116-K120 PolarHBondContact O-N 2.84Å; V117-K120 CarbonylContact O-C 3.49Å; V117-K120 VanDerWaalsContact O-CA 3.31Å; V117-K120 WeakPolarHBondContact O-CA 3.44Å; V117-K120 WeakPolarHBondContact O-CB 3.26Å; V117-K120 PolarHBondContact O-N 3.49Å; A118-K120 VanDerWaalsContact C-N 3.29Å; A118-K120 PolarHBondContact O-N 3.22Å; K120-V122 VanDerWaalsContact C-N 3.33Å; K120-D123 CarbonylContact O-C 3.57Å; K120-D123 WeakPolarHBondContact O-CB 3.29Å; K120-D123 PolarHBondContact O-N 3.44Å; K120-M124 VanDerWaalsContact O-CG 3.24Å; K120-M124 WeakPolarHBondContact O-CG 3.45Å; K120-M124 PolarHBondContact O-N 3.01Å
121	D	54	Low	55.2	Low	71 Å²	71	73.3 Å²	73.3	38%	0.38	36%	0.364	S	S	.	.	H	α-helix	trans	-70.6	-34.7	175.8	-72.5	-15.5	0	0	0	110.2	R41 V117 A118 D123 M124 Q125	R41-D121 IonicContact NH2-OD1 3.15Å; V117-D121 PolarHBondContact O-N 2.83Å; A118-D121 PolarHBondContact O-N 2.85Å; D121-D123 VanDerWaalsContact C-N 3.34Å; D121-M124 PolarHBondContact O-N 3.32Å; D121-Q125 WeakPolarHBondContact O-CG 3.45Å; D121-Q125 PolarHBondContact O-N 2.78Å
122	V	51	Low	54.8	Low	90 Å²	90	69.5 Å²	69.5	55%	0.545	35%	0.348	S	S	.	.	H	α-helix	trans	-61.7	-43.4	167.6	173.3	0	0	0	0	110.5	A118 V119 K120 M124 Q125 Y126	A118-V122 WeakPolarHBondContact O-CG2 3.5Å; A118-V122 PolarHBondContact O-N 2.86Å; V119-V122 PolarHBondContact O-N 3.34Å; K120-V122 VanDerWaalsContact C-N 3.33Å; V122-M124 VanDerWaalsContact C-N 3.31Å; V122-M124 PolarHBondContact O-N 3.26Å; V122-Q125 PolarHBondContact O-N 3.43Å; V122-Y126 WeakPolarHBondContact O-CB 3.26Å; V122-Y126 PolarHBondContact O-N 2.89Å
123	D	50.6	Low	54.3	Low	48 Å²	48	70 Å²	70	26%	0.257	36%	0.359	S	S	.	.	H	α-helix	trans	-62	-39.5	174.8	-65	-26.5	0	0	0	111.5	V119 K120 D121 Y126 L127	V119-D123 PolarHBondContact O-N 3.44Å; V119-D123 VanDerWaalsContact O-N 3.13Å; K120-D123 CarbonylContact O-C 3.57Å; K120-D123 WeakPolarHBondContact O-CB 3.29Å; K120-D123 PolarHBondContact O-N 3.44Å; D121-D123 VanDerWaalsContact C-N 3.34Å; D123-Y126 WeakPolarHBondContact O-CB 3.31Å; D123-Y126 PolarHBondContact O-N 3.26Å; D123-L127 VanDerWaalsContact O-CG 3.32Å; D123-L127 WeakPolarHBondContact O-CG 3.44Å; D123-L127 PolarHBondContact O-N 3.49Å
124	M	55.7	Low	54	Low	20 Å²	20	75.7 Å²	75.7	10%	0.099	38%	0.379	C	S	.	.	H	α-helix	trans	-69.4	-40.8	177.9	-70.7	-67.6	-85.3	0	0	112.3	Y30 K34 K120 D121 V122 Y126 L127 E128	Y30-M124 HydrophobicContact CD1-CE 4.1Å; Y30-M124 HydrophobicContact CD2-CE 3.57Å; Y30-M124 HydrophobicContact CD2-SD 3.85Å; Y30-M124 HydrophobicContact CE1-CE 3.67Å; Y30-M124 HydrophobicContact CE2-CB 4.2Å; Y30-M124 HydrophobicContact CE2-CE 3.07Å; Y30-M124 HydrophobicContact CE2-CG 4.39Å; Y30-M124 HydrophobicContact CE2-SD 3.35Å; Y30-M124 WeakPolarHBondContact CE2-SD 3.47Å; Y30-M124 HydrophobicContact CG-CE 4.06Å; Y30-M124 WeakPolarHBondContact OH-CE 3.06Å; K34-M124 HydrophobicContact CB-CE 3.85Å; K34-M124 HydrophobicContact CD-CE 4.45Å; K34-M124 HydrophobicContact CG-CE 4.21Å; K120-M124 VanDerWaalsContact O-CG 3.24Å; K120-M124 WeakPolarHBondContact O-CG 3.45Å; K120-M124 PolarHBondContact O-N 3.01Å; D121-M124 PolarHBondContact O-N 3.32Å; V122-M124 VanDerWaalsContact C-N 3.31Å; V122-M124 PolarHBondContact O-N 3.26Å; M124-Y126 VanDerWaalsContact C-N 3.29Å; M124-Y126 PolarHBondContact O-N 2.87Å; M124-L127 PolarHBondContact O-N 2.79Å; M124-L127 HydrophobicContact SD-CD1 4.09Å; M124-E128 WeakPolarHBondContact O-CB 3.23Å; M124-E128 PolarHBondContact O-N 2.96Å
125	Q	57.9	Low	53.8	Low	126 Å²	126	74.2 Å²	74.2	59%	0.589	37%	0.372	S	S	*	.	H	α-helix	trans	-59.2	-42.5	171.3	-77.6	-179.5	-2.4	0	0	111.1	D121 V122 L127 E128 E129	D121-Q125 WeakPolarHBondContact O-CG 3.45Å; D121-Q125 PolarHBondContact O-N 2.78Å; V122-Q125 PolarHBondContact O-N 3.43Å; Q125-L127 PolarHBondContact O-N 2.82Å; Q125-E128 PolarHBondContact O-N 3.33Å; Q125-E129 WeakPolarHBondContact O-CG 3.26Å; Q125-E129 PolarHBondContact O-N 3.09Å
126	Y	50.7	Low	53.4	Low	115 Å²	115	74.2 Å²	74.2	45%	0.451	37%	0.37	S	S	.	.	H	α-helix	trans	-63	-41.3	176	-175.1	-107.9	0	0	0	112.2	V122 D123 M124 E128 E129 I130	V122-Y126 WeakPolarHBondContact O-CB 3.26Å; V122-Y126 PolarHBondContact O-N 2.89Å; D123-Y126 WeakPolarHBondContact O-CB 3.31Å; D123-Y126 PolarHBondContact O-N 3.26Å; M124-Y126 VanDerWaalsContact C-N 3.29Å; M124-Y126 PolarHBondContact O-N 2.87Å; Y126-E128 VanDerWaalsContact C-N 3.35Å; Y126-E129 PolarHBondContact O-N 3.03Å; Y126-I130 HydrophobicContact CD1-CD1 3.61Å; Y126-I130 HydrophobicContact CE1-CD1 3.32Å; Y126-I130 HydrophobicContact CE1-CG1 4.29Å; Y126-I130 HydrophobicContact CG-CD1 4.37Å; Y126-I130 VanDerWaalsContact O-CG1 3.29Å; Y126-I130 WeakPolarHBondContact O-CG1 3.37Å; Y126-I130 PolarHBondContact O-N 3.45Å
127	L	53.5	Low	53.2	Low	29 Å²	29	73.9 Å²	73.9	15%	0.152	37%	0.37	C	S	.	.	H	α-helix	trans	-63.9	-38.8	173.3	-70.2	176.9	0	0	0	112.4	L9 L12 Y30 D123 M124 Q125 I130 R131	L9-L127 HydrophobicContact CD1-CD2 3.93Å; L9-L127 HydrophobicContact CD2-CD1 4.26Å; L9-L127 HydrophobicContact CD2-CD2 3.4Å; L9-L127 VanDerWaalsContact CD2-CD2 3.4Å; L9-L127 HydrophobicContact CD2-CG 4.48Å; L9-L127 HydrophobicContact CG-CD2 3.58Å; L12-L127 HydrophobicContact CD1-CD1 4.33Å; Y30-L127 HydrophobicContact CD2-CB 4.34Å; Y30-L127 HydrophobicContact CD2-CD1 4.41Å; Y30-L127 HydrophobicContact CE2-CB 4.11Å; D123-L127 VanDerWaalsContact O-CG 3.32Å; D123-L127 WeakPolarHBondContact O-CG 3.44Å; D123-L127 PolarHBondContact O-N 3.49Å; M124-L127 PolarHBondContact O-N 2.79Å; M124-L127 HydrophobicContact SD-CD1 4.09Å; Q125-L127 PolarHBondContact O-N 2.82Å; L127-I130 HydrophobicContact CD2-CD1 4.46Å; L127-I130 PolarHBondContact O-N 3.2Å; L127-R131 WeakPolarHBondContact O-CB 3.47Å; L127-R131 PolarHBondContact O-N 3.32Å
128	E	58.8	Low	53	Low	76 Å²	76	78 Å²	78	36%	0.355	40%	0.397	S	S	.	.	H	α-helix	trans	-69.8	-37.4	177.3	-167.5	155.4	-147.1	0	0	111.9	M124 Q125 Y126 R131 N132	M124-E128 WeakPolarHBondContact O-CB 3.23Å; M124-E128 PolarHBondContact O-N 2.96Å; Q125-E128 PolarHBondContact O-N 3.33Å; Y126-E128 VanDerWaalsContact C-N 3.35Å; E128-R131 PolarHBondContact O-N 3.14Å; E128-R131 IonicContact OE1-CZ 3.79Å; E128-R131 IonicContact OE1-NH2 2.86Å; E128-R131 PolarHBondContact OE1-NH2 2.99Å; E128-N132 WeakPolarHBondContact O-CB 3.24Å; E128-N132 PolarHBondContact O-N 2.86Å; E128-N132 PolarHBondContact O-ND2 2.86Å; E128-N132 VanDerWaalsContact O-ND2 3.14Å
129	E	57.2	Low	52.9	Low	117 Å²	117	79 Å²	79	55%	0.547	40%	0.401	S	S	.	.	H	α-helix	trans	-60.4	-44.7	168.6	-75.8	-176.3	178.5	0	0	111.6	Q125 Y126 N132 I133	Q125-E129 WeakPolarHBondContact O-CG 3.26Å; Q125-E129 PolarHBondContact O-N 3.09Å; Y126-E129 PolarHBondContact O-N 3.03Å; E129-N132 PolarHBondContact O-N 3Å; E129-I133 VanDerWaalsContact O-CG1 3.31Å; E129-I133 WeakPolarHBondContact O-CG1 3.46Å; E129-I133 PolarHBondContact O-N 3.46Å
130	I	52.8	Low	52.5	Low	18 Å²	18	79.1 Å²	79.1	9%	0.092	40%	0.397	C	S	.	.	H	α-helix	trans	-61.8	-44.5	175	-69.4	162.2	0	0	0	111	I5 Y126 L127 N132 I133 R134	I5-I130 HydrophobicContact CG1-CD1 4.42Å; I5-I130 HydrophobicContact CG2-CD1 4.03Å; I5-I130 HydrophobicContact CG2-CG2 4.25Å; Y126-I130 HydrophobicContact CD1-CD1 3.61Å; Y126-I130 HydrophobicContact CE1-CD1 3.32Å; Y126-I130 HydrophobicContact CE1-CG1 4.29Å; Y126-I130 HydrophobicContact CG-CD1 4.37Å; Y126-I130 VanDerWaalsContact O-CG1 3.29Å; Y126-I130 WeakPolarHBondContact O-CG1 3.37Å; Y126-I130 PolarHBondContact O-N 3.45Å; L127-I130 HydrophobicContact CD2-CD1 4.46Å; L127-I130 PolarHBondContact O-N 3.2Å; I130-N132 VanDerWaalsContact C-N 3.3Å; I130-N132 PolarHBondContact O-N 2.82Å; I130-I133 PolarHBondContact O-N 3.33Å; I130-I133 VanDerWaalsContact O-N 3.16Å; I130-R134 PolarHBondContact O-N 3.31Å
131	R	50.8	Low	52.1	Low	81 Å²	81	82.5 Å²	82.5	31%	0.306	41%	0.411	S	S	.	.	H	α-helix	trans	-57.8	-46.5	175.6	-170.5	-173.7	71	-170	-7.5	110	L127 E128 I133 R134 E135	L127-R131 WeakPolarHBondContact O-CB 3.47Å; L127-R131 PolarHBondContact O-N 3.32Å; E128-R131 PolarHBondContact O-N 3.14Å; E128-R131 IonicContact OE1-CZ 3.79Å; E128-R131 IonicContact OE1-NH2 2.86Å; E128-R131 PolarHBondContact OE1-NH2 2.99Å; R131-I133 VanDerWaalsContact C-N 3.28Å; R131-I133 PolarHBondContact O-N 3.16Å; R131-R134 PolarHBondContact O-N 3.46Å; R131-E135 CarbonylContact O-C 3.49Å; R131-E135 WeakPolarHBondContact O-CA 3.18Å; R131-E135 PolarHBondContact O-N 2.94Å
132	N	55.7	Low	51.5	Low	43 Å²	43	85.2 Å²	85.2	23%	0.23	43%	0.426	C	S	.	.	H	α-helix	trans	-65.9	-26.2	178.7	-70.3	-27.4	0	0	0	113.6	E128 E129 I130 P136 M140	E128-N132 WeakPolarHBondContact O-CB 3.24Å; E128-N132 PolarHBondContact O-N 2.86Å; E128-N132 PolarHBondContact O-ND2 2.86Å; E128-N132 VanDerWaalsContact O-ND2 3.14Å; E129-N132 PolarHBondContact O-N 3Å; I130-N132 VanDerWaalsContact C-N 3.3Å; I130-N132 PolarHBondContact O-N 2.82Å; N132-P136 WeakPolarHBondContact O-CA 3.47Å; N132-M140 HydrophobicContact CB-CE 3.6Å; N132-M140 WeakPolarHBondContact ND2-CE 3.38Å
133	I	53.2	Low	51	Low	138 Å²	138	89.9 Å²	89.9	71%	0.708	44%	0.439	S	S	*	.	H	α-helix	trans	-77.1	-39.2	173.1	-67.5	164.1	0	0	0	111.3	E129 I130 R131	E129-I133 VanDerWaalsContact O-CG1 3.31Å; E129-I133 WeakPolarHBondContact O-CG1 3.46Å; E129-I133 PolarHBondContact O-N 3.46Å; I130-I133 PolarHBondContact O-N 3.33Å; I130-I133 VanDerWaalsContact O-N 3.16Å; R131-I133 VanDerWaalsContact C-N 3.28Å; R131-I133 PolarHBondContact O-N 3.16Å
134	R	50.4	Low	50.3	Low	141 Å²	141	95.8 Å²	95.8	53%	0.532	46%	0.462	S	S	.	.	H	α-helix	trans	-81.1	-42.4	-177.8	-77.2	-170.8	176.9	-153.4	1.4	113.2	I130 R131	I130-R134 PolarHBondContact O-N 3.31Å; R131-R134 PolarHBondContact O-N 3.46Å
135	E	56.6	Low	49.2	Very low	97 Å²	97	102.4 Å²	102.4	45%	0.453	49%	0.491	S	S	.	.	S	Bend	trans	-122.9	78.5	177	-70.5	177.4	-169.4	0	0	107.6	R131 N137	R131-E135 CarbonylContact O-C 3.49Å; R131-E135 WeakPolarHBondContact O-CA 3.18Å; R131-E135 PolarHBondContact O-N 2.94Å; E135-N137 PolarHBondContact O-N 3.21Å
136	P	48.6	Very low	48.2	Very low	65 Å²	65	102.5 Å²	102.5	42%	0.422	50%	0.5	S	S	.	.			trans	-62.7	113	-179.9	26.9	-33.8	0	0	0	108.9	N132 P138 F141	N132-P136 WeakPolarHBondContact O-CA 3.47Å; P136-P138 WeakPolarHBondContact O-CD 3.34Å; P136-P138 VanDerWaalsContact O-N 3.14Å; P136-F141 HydrophobicContact CB-CE2 3.7Å; P136-F141 HydrophobicContact CB-CZ 4.31Å; P136-F141 HydrophobicContact CG-CE2 4.09Å
137	N	49	Very low	47.2	Very low	74 Å²	74	101.5 Å²	101.5	40%	0.396	51%	0.51	S	S	.	.			trans	-56.5	119.7	177	-168	-23.6	0	0	0	108.3	E135 S139 M140	E135-N137 PolarHBondContact O-N 3.21Å; N137-S139 PolarHBondContact ND2-OG 2.77Å; N137-S139 PolarHBondContact O-N 3.35Å; N137-S139 PolarHBondContact OD1-N 3.23Å; N137-S139 PolarHBondContact OD1-OG 3.31Å; N137-M140 PolarHBondContact O-N 3.12Å
138	P	49.1	Very low	46.4	Very low	99 Å²	99	114.9 Å²	114.9	64%	0.643	56%	0.558	S	S	*	*	H	α-helix	trans	-55.5	-30.7	-176.8	-26.6	34.7	0	0	0	112.5	P136 M140 F141	P136-P138 WeakPolarHBondContact O-CD 3.34Å; P136-P138 VanDerWaalsContact O-N 3.14Å; P138-M140 PolarHBondContact O-N 3.45Å; P138-F141 PolarHBondContact O-N 2.9Å; P138-F141 VanDerWaalsContact O-N 3.12Å
139	S	52.8	Low	45.8	Very low	72 Å²	72	116.9 Å²	116.9	50%	0.503	57%	0.569	S	S	.	*	H	α-helix	trans	-64.1	-22.4	177.2	64.7	0	0	0	0	114.2	N137	N137-S139 PolarHBondContact ND2-OG 2.77Å; N137-S139 PolarHBondContact O-N 3.35Å; N137-S139 PolarHBondContact OD1-N 3.23Å; N137-S139 PolarHBondContact OD1-OG 3.31Å
140	M	44.1	Very low	45.2	Very low	96 Å²	96	116.8 Å²	116.8	47%	0.473	57%	0.57	S	S	.	*	H	α-helix	trans	-77.7	-25.9	173.9	-76.4	-145.6	-75.6	0	0	113.3	N132 N137 P138 N142 K143	N132-M140 HydrophobicContact CB-CE 3.6Å; N132-M140 WeakPolarHBondContact ND2-CE 3.38Å; N137-M140 PolarHBondContact O-N 3.12Å; P138-M140 PolarHBondContact O-N 3.45Å; M140-N142 VanDerWaalsContact C-N 3.27Å; M140-N142 PolarHBondContact O-N 3.26Å; M140-K143 PolarHBondContact O-N 3.38Å
141	F	41.2	Very low	44.8	Very low	116 Å²	116	122.3 Å²	122.3	51%	0.509	60%	0.596	S	S	.	*	H	α-helix	trans	-66.7	-32.4	173.6	-80.1	-75.7	0	0	0	111.9	P136 P138 K143 K144 F145	P136-F141 HydrophobicContact CB-CE2 3.7Å; P136-F141 HydrophobicContact CB-CZ 4.31Å; P136-F141 HydrophobicContact CG-CE2 4.09Å; P138-F141 PolarHBondContact O-N 2.9Å; P138-F141 VanDerWaalsContact O-N 3.12Å; F141-K143 PolarHBondContact O-N 3.05Å; F141-K144 PolarHBondContact O-N 2.81Å; F141-F145 HydrophobicContact CD1-CE2 4.25Å; F141-F145 PolarHBondContact O-N 3.48Å
142	N	42.7	Very low	44.4	Very low	128 Å²	128	124.8 Å²	124.8	68%	0.684	61%	0.613	S	S	*	*	H	α-helix	trans	-67.9	-17.1	178.2	-87.1	-8.2	0	0	0	114.5	M140 V146	M140-N142 VanDerWaalsContact C-N 3.27Å; M140-N142 PolarHBondContact O-N 3.26Å; N142-V146 WeakPolarHBondContact O-CG2 3.44Å
143	K	39.1	Very low	43.7	Very low	188 Å²	188	129.9 Å²	129.9	82%	0.817	64%	0.637	S	S	*	*	H	α-helix	trans	-88	-23.8	175.5	-80.4	-172.9	177	178.6	0	114.2	M140 F141	M140-K143 PolarHBondContact O-N 3.38Å; F141-K143 PolarHBondContact O-N 3.05Å
144	K	35.6	Very low	43.1	Very low	172 Å²	172	129.3 Å²	129.3	75%	0.748	63%	0.633	S	S	*	*	H	α-helix	trans	-89.1	-24.1	-179.5	-83.6	-172.6	174.9	-179.9	0	114.1	F141	F141-K144 PolarHBondContact O-N 2.81Å
145	F	33.7	Very low	42.6	Very low	160 Å²	160	128.5 Å²	128.5	70%	0.702	64%	0.64	S	S	*	*	G	3₁₀ helix	trans	-86.6	-0.5	-177	-85.6	-78.7	0	0	0	115.8	F141 S147	F141-F145 HydrophobicContact CD1-CE2 4.25Å; F141-F145 PolarHBondContact O-N 3.48Å; F145-S147 VanDerWaalsContact C-N 3.33Å; F145-S147 PolarHBondContact O-N 3.45Å
146	V	36.4	Very low	41.5	Very low	127 Å²	127	130.9 Å²	130.9	77%	0.77	65%	0.654	S	S	*	*	G	3₁₀ helix	trans	-95.4	25.1	178.1	-163.9	0	0	0	0	112.2	N142	N142-V146 WeakPolarHBondContact O-CG2 3.44Å
147	S	31.1	Very low	40.9	Very low	95 Å²	95	136.4 Å²	136.4	66%	0.664	67%	0.674	S	S	*	*	G	3₁₀ helix	trans	-131.7	21	179.6	67.9	0	0	0	0	115.8	F145	F145-S147 VanDerWaalsContact C-N 3.33Å; F145-S147 PolarHBondContact O-N 3.45Å
148	W	36	Very low	40.1	Very low	310 Å²	310	142.1 Å²	142.1	100%	1.174	70%	0.699	S	S	*	*			trans	-120.9	0	167.5	-82.1	65	0	0	0	109.2

Retrieved 148 of 148 residues in 148.7 ms (Link to these results)

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