A0A077Z0A8_TRITR Loading...

Mitochondrial carrier

AlphaFold DB , UniProt , Accession A0A077Z0A8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 193 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	37	Very low	41.6	Very low	249 Å²	249	170.9 Å²	170.9	100%	1.227	87%	0.866	S	S	*	*				0	-10	0	-83.8	-178.5	157.6	0	0	115.1
2	L	40	Very low	41.9	Very low	154 Å²	154	166 Å²	166	81%	0.806	86%	0.855	S	S	*	*			trans	-97.7	11	-174	-105.7	135.2	0	0	0	116.3
3	S	42	Very low	41.7	Very low	123 Å²	123	164.3 Å²	164.3	86%	0.86	85%	0.848	S	S	*	*	S	Bend	trans	-92.5	-4.9	-173.4	-159.8	0	0	0	0	114.6
4	R	42.6	Very low	41.7	Very low	228 Å²	228	165.9 Å²	165.9	86%	0.86	85%	0.85	S	S	*	*	S	Bend	trans	-101.3	-0.9	-179.9	-81.4	-170.4	172.5	-161.4	-0.8	115.6
5	M	42	Very low	41.8	Very low	164 Å²	164	164.7 Å²	164.7	81%	0.808	84%	0.842	S	S	*	*	S	Bend	trans	-85.5	-9.2	-174.7	-90.6	176.2	153.8	0	0	115.8
6	G	41.1	Very low	42.2	Very low	79 Å²	79	164.6 Å²	164.6	81%	0.814	84%	0.837	S	S	*	*	S	Bend	trans	-88.2	-22	-172.8	0	0	0	0	0	116.6
7	L	41.2	Very low	43	Very low	156 Å²	156	162.9 Å²	162.9	82%	0.817	83%	0.83	S	S	*	*	S	Bend	trans	-114.9	-7.9	-163.4	-133	141.6	0	0	0	114.3
8	L	39.9	Very low	43.7	Very low	150 Å²	150	161.6 Å²	161.6	79%	0.785	83%	0.825	S	S	*	*	S	Bend	trans	-93.3	1.4	-173.9	-123.6	146.5	0	0	0	114.1
9	K	45.1	Very low	44.5	Very low	204 Å²	204	158.7 Å²	158.7	89%	0.887	81%	0.812	S	S	*	*			trans	-99.5	18.2	-176.2	-133	178.2	-174.5	178.5	0	115.1
10	L	45.4	Very low	45.6	Very low	154 Å²	154	153.2 Å²	153.2	81%	0.806	79%	0.789	S	S	*	*			trans	-106.5	14.3	177.5	-90.4	158.6	0	0	0	113.9	P12	L10-P12 WeakPolarHBondContact O-CD 3.41Å
11	Y	41.3	Very low	46.8	Very low	219 Å²	219	149 Å²	149	86%	0.859	78%	0.777	S	S	*	*			trans	-103.2	93.6	170	-117.4	-94.9	0	0	0	109.1
12	P	44.8	Very low	48.5	Very low	112 Å²	112	141.1 Å²	141.1	73%	0.727	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-76.1	122.4	160.7	30.7	-28.1	0	0	0	107.9	L10	L10-P12 WeakPolarHBondContact O-CD 3.41Å
13	D	39.5	Very low	50.2	Low	144 Å²	144	136.1 Å²	136.1	77%	0.77	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-60.1	155.5	177.4	-150.2	-7	0	0	0	111.5	M15	D13-M15 PolarHBondContact O-N 3.49Å
14	Q	42.6	Very low	51.9	Low	187 Å²	187	137.7 Å²	137.7	87%	0.874	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-64.5	117.8	-165.2	-51.7	-149.9	-61.3	0	0	112.8
15	M	42.9	Very low	53.5	Low	148 Å²	148	128.1 Å²	128.1	73%	0.729	68%	0.684	S	S	*	*			trans	-141.3	99	167.6	-73.3	-81.1	-137.5	0	0	109.9	D13	D13-M15 PolarHBondContact O-N 3.49Å
16	E	48.3	Very low	55	Low	163 Å²	163	124.9 Å²	124.9	76%	0.762	67%	0.67	S	S	*	*			trans	40.1	100.9	159.3	-81.1	163.7	111.8	0	0	120.4	N18 N19	E16-N18 VanDerWaalsContact C-N 3.27Å; E16-N18 PolarHBondContact O-N 3.07Å; E16-N19 PolarHBondContact O-N 3.16Å
17	D	55.8	Low	56.5	Low	135 Å²	135	130 Å²	130	72%	0.722	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	37.6	-36	148.8	-63.2	-12.5	0	0	0	122.7	S20	D17-S20 PolarHBondContact O-OG 2.78Å
18	N	55.7	Low	58	Low	139 Å²	139	128.1 Å²	128.1	74%	0.743	66%	0.655	S	S	*	*	H	α-helix	trans	-86.9	-35.1	177	-59.9	-34.8	0	0	0	110.9	E16 S20	E16-N18 VanDerWaalsContact C-N 3.27Å; E16-N18 PolarHBondContact O-N 3.07Å; N18-S20 VanDerWaalsContact C-N 3.34Å
19	N	58.7	Low	59.4	Low	107 Å²	107	125.7 Å²	125.7	57%	0.572	64%	0.642	S	S	*	*	H	α-helix	trans	-76.2	-23.9	179.4	-72.9	-27.8	0	0	0	112.5	E16 V22 A23	E16-N19 PolarHBondContact O-N 3.16Å; N19-V22 PolarHBondContact O-N 3.3Å; N19-A23 VanDerWaalsContact O-CB 3.26Å; N19-A23 WeakPolarHBondContact O-CB 3.16Å; N19-A23 PolarHBondContact O-N 2.94Å
20	S	66.2	Low	60.6	Low	49 Å²	49	117.8 Å²	117.8	34%	0.343	62%	0.615	S	S	.	*	H	α-helix	trans	-65	-44.3	179	59.6	0	0	0	0	110.8	D17 N18 V22 A23 Y24	D17-S20 PolarHBondContact O-OG 2.78Å; N18-S20 VanDerWaalsContact C-N 3.34Å; S20-V22 VanDerWaalsContact C-N 3.32Å; S20-V22 PolarHBondContact O-N 3.47Å; S20-A23 CarbonylContact O-C 3.59Å; S20-A23 WeakPolarHBondContact O-CB 3.43Å; S20-A23 PolarHBondContact O-N 2.72Å; S20-A23 VanDerWaalsContact O-N 3.1Å; S20-Y24 WeakPolarHBondContact O-CD2 2.79Å; S20-Y24 PolarHBondContact O-N 2.76Å
21	A	70.9	Confident	61.9	Low	66 Å²	66	113.5 Å²	113.5	55%	0.545	60%	0.597	S	S	.	*	H	α-helix	trans	-59.8	-43.2	175.7	0	0	0	0	0	111.7	Y24 G25	A21-Y24 PolarHBondContact O-N 3.34Å; A21-G25 PolarHBondContact O-N 3.47Å
22	V	72.4	Confident	63.3	Low	82 Å²	82	105.8 Å²	105.8	50%	0.497	57%	0.573	S	S	.	*	H	α-helix	trans	-65.5	-39	174.7	180	0	0	0	0	111	N19 S20 G25 N26	N19-V22 PolarHBondContact O-N 3.3Å; S20-V22 VanDerWaalsContact C-N 3.32Å; S20-V22 PolarHBondContact O-N 3.47Å; V22-G25 PolarHBondContact O-N 3.38Å; V22-N26 VanDerWaalsContact O-CB 3.26Å; V22-N26 WeakPolarHBondContact O-CB 3.46Å; V22-N26 PolarHBondContact O-N 3.1Å
23	A	76	Confident	64.6	Low	50 Å²	50	105.4 Å²	105.4	41%	0.413	56%	0.564	S	S	.	*	H	α-helix	trans	-66.4	-42.5	177	0	0	0	0	0	112	N19 S20 N26 R27	N19-A23 VanDerWaalsContact O-CB 3.26Å; N19-A23 WeakPolarHBondContact O-CB 3.16Å; N19-A23 PolarHBondContact O-N 2.94Å; S20-A23 CarbonylContact O-C 3.59Å; S20-A23 WeakPolarHBondContact O-CB 3.43Å; S20-A23 PolarHBondContact O-N 2.72Å; S20-A23 VanDerWaalsContact O-N 3.1Å; A23-N26 PolarHBondContact O-N 3.08Å; A23-R27 WeakPolarHBondContact O-CB 3.26Å; A23-R27 PolarHBondContact O-N 3.3Å
24	Y	76.7	Confident	66.2	Low	155 Å²	155	104.1 Å²	104.1	61%	0.608	55%	0.552	S	S	*	*	H	α-helix	trans	-63.5	-44.1	172.5	-77.8	-70	0	0	0	111.2	S20 A21 R27 L28	S20-Y24 WeakPolarHBondContact O-CD2 2.79Å; S20-Y24 PolarHBondContact O-N 2.76Å; A21-Y24 PolarHBondContact O-N 3.34Å; Y24-R27 WeakPolarHBondContact O-CB 3.34Å; Y24-R27 PolarHBondContact O-N 3.4Å; Y24-L28 WeakPolarHBondContact O-CG 3.2Å; Y24-L28 PolarHBondContact O-N 3.12Å
25	G	76.1	Confident	67.6	Low	27 Å²	27	99.9 Å²	99.9	28%	0.278	53%	0.532	S	S	.	.	H	α-helix	trans	-59.7	-48.4	175	0	0	0	0	0	112.1	A21 V22 R27 L28 I29	A21-G25 PolarHBondContact O-N 3.47Å; V22-G25 PolarHBondContact O-N 3.38Å; G25-R27 VanDerWaalsContact C-N 3.28Å; G25-R27 PolarHBondContact O-N 2.97Å; G25-L28 PolarHBondContact O-N 2.95Å; G25-L28 VanDerWaalsContact O-N 3.15Å; G25-I29 VanDerWaalsContact O-CG1 3.29Å; G25-I29 WeakPolarHBondContact O-CG1 3.26Å; G25-I29 PolarHBondContact O-N 3.37Å
26	N	73.5	Confident	68.8	Low	97 Å²	97	94 Å²	94	52%	0.519	51%	0.505	S	S	.	.	H	α-helix	trans	-61.5	-37.1	176	-75.8	-10.9	0	0	0	111.7	V22 A23 I29 A30	V22-N26 VanDerWaalsContact O-CB 3.26Å; V22-N26 WeakPolarHBondContact O-CB 3.46Å; V22-N26 PolarHBondContact O-N 3.1Å; A23-N26 PolarHBondContact O-N 3.08Å; N26-I29 PolarHBondContact O-N 2.85Å; N26-A30 WeakPolarHBondContact O-CB 3.43Å; N26-A30 PolarHBondContact O-N 3.36Å
27	R	73.7	Confident	69.8	Low	185 Å²	185	90.2 Å²	90.2	70%	0.698	49%	0.489	S	S	*	.	H	α-helix	trans	-63.9	-43.3	174.7	-172.7	175.8	-179.1	176.9	-0	111.7	A23 Y24 G25 S31	A23-R27 WeakPolarHBondContact O-CB 3.26Å; A23-R27 PolarHBondContact O-N 3.3Å; Y24-R27 WeakPolarHBondContact O-CB 3.34Å; Y24-R27 PolarHBondContact O-N 3.4Å; G25-R27 VanDerWaalsContact C-N 3.28Å; G25-R27 PolarHBondContact O-N 2.97Å; R27-S31 WeakPolarHBondContact O-CB 3.34Å; R27-S31 PolarHBondContact O-N 2.88Å; R27-S31 PolarHBondContact O-OG 3.44Å; R27-S31 VanDerWaalsContact O-OG 3.08Å
28	L	72.5	Confident	70.4	Confident	118 Å²	118	88.9 Å²	88.9	62%	0.618	48%	0.482	S	S	*	.	H	α-helix	trans	-65.4	-41.7	176.1	-72.4	172.7	0	0	0	111.9	Y24 G25 S31 T32	Y24-L28 WeakPolarHBondContact O-CG 3.2Å; Y24-L28 PolarHBondContact O-N 3.12Å; G25-L28 PolarHBondContact O-N 2.95Å; G25-L28 VanDerWaalsContact O-N 3.15Å; L28-S31 WeakPolarHBondContact CA-OG 3.5Å; L28-S31 PolarHBondContact O-OG 2.89Å; L28-T32 VanDerWaalsContact O-CB 3.27Å; L28-T32 WeakPolarHBondContact O-CB 3.43Å; L28-T32 PolarHBondContact O-N 2.8Å; L28-T32 PolarHBondContact O-OG1 3.1Å
29	I	69.6	Low	70.9	Confident	99 Å²	99	85 Å²	85	51%	0.508	46%	0.457	S	S	.	.	H	α-helix	trans	-64.8	-49.8	177.3	-67.4	165.6	0	0	0	109.7	G25 N26 S31 T32 L33	G25-I29 VanDerWaalsContact O-CG1 3.29Å; G25-I29 WeakPolarHBondContact O-CG1 3.26Å; G25-I29 PolarHBondContact O-N 3.37Å; N26-I29 PolarHBondContact O-N 2.85Å; I29-S31 PolarHBondContact O-N 3.47Å; I29-T32 PolarHBondContact O-N 3.4Å; I29-L33 HydrophobicContact CG2-CD1 3.76Å; I29-L33 HydrophobicContact CG2-CG 4.33Å; I29-L33 WeakPolarHBondContact O-CB 3.29Å; I29-L33 WeakPolarHBondContact O-CG 3.27Å; I29-L33 PolarHBondContact O-N 3.15Å
30	A	70.1	Confident	71.1	Confident	38 Å²	38	80 Å²	80	31%	0.314	43%	0.431	S	S	.	.	H	α-helix	trans	-58.7	-49.9	177.3	0	0	0	0	0	110.7	N26 T32 L33 F34	N26-A30 WeakPolarHBondContact O-CB 3.43Å; N26-A30 PolarHBondContact O-N 3.36Å; A30-T32 VanDerWaalsContact C-N 3.26Å; A30-T32 PolarHBondContact O-N 3.23Å; A30-L33 PolarHBondContact O-N 3.36Å; A30-F34 HydrophobicContact CB-CD2 4.15Å; A30-F34 HydrophobicContact CB-CE2 4.24Å; A30-F34 WeakPolarHBondContact O-CB 3.03Å; A30-F34 WeakPolarHBondContact O-CD2 3.45Å; A30-F34 PolarHBondContact O-N 2.97Å
31	S	71.8	Confident	71.2	Confident	63 Å²	63	84 Å²	84	44%	0.441	44%	0.442	S	S	.	.	H	α-helix	trans	-59.9	-38.9	178.8	63	0	0	0	0	111.9	R27 L28 I29 H35	R27-S31 WeakPolarHBondContact O-CB 3.34Å; R27-S31 PolarHBondContact O-N 2.88Å; R27-S31 PolarHBondContact O-OG 3.44Å; R27-S31 VanDerWaalsContact O-OG 3.08Å; L28-S31 WeakPolarHBondContact CA-OG 3.5Å; L28-S31 PolarHBondContact O-OG 2.89Å; I29-S31 PolarHBondContact O-N 3.47Å; S31-H35 VanDerWaalsContact O-CB 3.25Å; S31-H35 WeakPolarHBondContact O-CB 3.41Å; S31-H35 PolarHBondContact O-N 2.77Å
32	T	71.8	Confident	71.3	Confident	57 Å²	57	84.5 Å²	84.5	35%	0.35	44%	0.439	S	S	.	.	H	α-helix	trans	-69.8	-39.2	179.7	-55.2	0	0	0	0	112.2	L28 I29 A30 P36 R83	L28-T32 VanDerWaalsContact O-CB 3.27Å; L28-T32 WeakPolarHBondContact O-CB 3.43Å; L28-T32 PolarHBondContact O-N 2.8Å; L28-T32 PolarHBondContact O-OG1 3.1Å; I29-T32 PolarHBondContact O-N 3.4Å; A30-T32 VanDerWaalsContact C-N 3.26Å; A30-T32 PolarHBondContact O-N 3.23Å; T32-P36 WeakPolarHBondContact O-CD 3.03Å; T32-R83 VanDerWaalsContact CG2-NH1 3.3Å
33	L	71	Confident	70.7	Confident	105 Å²	105	81.7 Å²	81.7	55%	0.55	42%	0.421	S	S	.	.	H	α-helix	trans	-72	-37.6	178.1	-70.9	174.7	0	0	0	112.2	I29 A30 P36	I29-L33 HydrophobicContact CG2-CD1 3.76Å; I29-L33 HydrophobicContact CG2-CG 4.33Å; I29-L33 WeakPolarHBondContact O-CB 3.29Å; I29-L33 WeakPolarHBondContact O-CG 3.27Å; I29-L33 PolarHBondContact O-N 3.15Å; A30-L33 PolarHBondContact O-N 3.36Å; L33-P36 WeakPolarHBondContact O-CD 3.18Å; L33-P36 WeakPolarHBondContact O-CG 3.48Å
34	F	74.4	Confident	70	Confident	116 Å²	116	82.2 Å²	82.2	51%	0.509	42%	0.415	S	S	.	.	H	α-helix	trans	-87.7	-13.9	-179.3	-66.9	-65.6	0	0	0	113.8	A30 L37 N38	A30-F34 HydrophobicContact CB-CD2 4.15Å; A30-F34 HydrophobicContact CB-CE2 4.24Å; A30-F34 WeakPolarHBondContact O-CB 3.03Å; A30-F34 WeakPolarHBondContact O-CD2 3.45Å; A30-F34 PolarHBondContact O-N 2.97Å; F34-L37 HydrophobicContact CD1-CD1 3.83Å; F34-L37 HydrophobicContact CE1-CD1 4.33Å; F34-L37 WeakPolarHBondContact O-CB 3.41Å; F34-L37 PolarHBondContact O-N 2.84Å; F34-L37 VanDerWaalsContact O-N 3.1Å; F34-N38 PolarHBondContact O-N 2.88Å
35	H	71.7	Confident	69.9	Low	99 Å²	99	81.7 Å²	81.7	46%	0.458	42%	0.418	S	S	.	.	H	α-helix	trans	-51.4	-52.5	175.8	-170.3	-79.8	0	0	0	113.5	S31 L37 N38 Y39	S31-H35 VanDerWaalsContact O-CB 3.25Å; S31-H35 WeakPolarHBondContact O-CB 3.41Å; S31-H35 PolarHBondContact O-N 2.77Å; H35-L37 PolarHBondContact O-N 3.48Å; H35-N38 PolarHBondContact O-N 3.22Å; H35-Y39 VanDerWaalsContact O-CB 3.23Å; H35-Y39 WeakPolarHBondContact O-CB 3.32Å; H35-Y39 PolarHBondContact O-N 3.27Å
36	P	67	Low	69.6	Low	23 Å²	23	85.8 Å²	85.8	15%	0.149	43%	0.433	C	S	.	.	H	α-helix	trans	-60.9	-33.8	178.5	22.8	-33.6	0	0	0	112.5	T32 L33 T40 L79	T32-P36 WeakPolarHBondContact O-CD 3.03Å; L33-P36 WeakPolarHBondContact O-CD 3.18Å; L33-P36 WeakPolarHBondContact O-CG 3.48Å; P36-T40 PolarHBondContact O-N 3.2Å; P36-T40 PolarHBondContact O-OG1 3.28Å; P36-L79 HydrophobicContact CB-CB 4.5Å; P36-L79 HydrophobicContact CB-CD1 4.35Å
37	L	69.5	Low	69	Low	84 Å²	84	84.1 Å²	84.1	44%	0.44	44%	0.439	S	S	.	.	H	α-helix	trans	-70.3	-46.5	179.4	-67.3	172.2	0	0	0	111.9	F34 H35 Y39 T40 K41	F34-L37 HydrophobicContact CD1-CD1 3.83Å; F34-L37 HydrophobicContact CE1-CD1 4.33Å; F34-L37 WeakPolarHBondContact O-CB 3.41Å; F34-L37 PolarHBondContact O-N 2.84Å; F34-L37 VanDerWaalsContact O-N 3.1Å; H35-L37 PolarHBondContact O-N 3.48Å; L37-Y39 VanDerWaalsContact C-N 3.27Å; L37-Y39 PolarHBondContact O-N 2.81Å; L37-T40 PolarHBondContact O-N 3.41Å; L37-K41 PolarHBondContact O-N 3.08Å; L37-K41 VanDerWaalsContact O-N 3.08Å
38	N	69.8	Low	68.3	Low	107 Å²	107	81.9 Å²	81.9	57%	0.572	44%	0.436	S	S	*	.	H	α-helix	trans	-60.8	-40.4	175	-78.9	-20.6	0	0	0	111.6	F34 H35 K41 V42	F34-N38 PolarHBondContact O-N 2.88Å; H35-N38 PolarHBondContact O-N 3.22Å; N38-K41 WeakPolarHBondContact O-CB 3.49Å; N38-K41 PolarHBondContact O-N 2.89Å; N38-V42 WeakPolarHBondContact O-CG2 2.9Å; N38-V42 PolarHBondContact O-N 2.72Å; N38-V42 VanDerWaalsContact O-N 3.11Å
39	Y	66.4	Low	67.5	Low	57 Å²	57	78.5 Å²	78.5	22%	0.224	42%	0.417	C	S	.	.	H	α-helix	trans	-64.4	-44.1	177.4	-177.2	-94.9	0	0	0	112.5	H35 L37 K41 V42 L43 L79 Y130	H35-Y39 VanDerWaalsContact O-CB 3.23Å; H35-Y39 WeakPolarHBondContact O-CB 3.32Å; H35-Y39 PolarHBondContact O-N 3.27Å; L37-Y39 VanDerWaalsContact C-N 3.27Å; L37-Y39 PolarHBondContact O-N 2.81Å; Y39-K41 PolarHBondContact O-N 3.42Å; Y39-V42 PolarHBondContact O-N 3.2Å; Y39-V42 VanDerWaalsContact O-N 3.15Å; Y39-L43 HydrophobicContact CD1-CD1 3.49Å; Y39-L43 VanDerWaalsContact CD1-CD1 3.49Å; Y39-L43 HydrophobicContact CD1-CG 4.31Å; Y39-L43 HydrophobicContact CE1-CD1 3.22Å; Y39-L43 HydrophobicContact CE1-CG 4.13Å; Y39-L43 PolarHBondContact O-N 3.24Å; Y39-L79 HydrophobicContact CD1-CD1 3.88Å; Y39-L79 HydrophobicContact CD1-CD2 4.35Å; Y39-L79 HydrophobicContact CE1-CD1 4.09Å; Y39-L79 HydrophobicContact CE1-CD2 4.05Å; Y39-Y130 HydrophobicContact CD2-CE1 4.06Å; Y39-Y130 AromaticContact CE2-CD1 3.75Å; Y39-Y130 HydrophobicContact CE2-CD1 3.75Å; Y39-Y130 AromaticContact CE2-CE1 3.07Å; Y39-Y130 HydrophobicContact CE2-CE1 3.07Å; Y39-Y130 HydrophobicContact CE2-CE2 4.08Å; Y39-Y130 AromaticContact CE2-CZ 3.31Å; Y39-Y130 AromaticContact CZ-CE1 3.55Å; Y39-Y130 AromaticContact CZ-CE2 3.77Å; Y39-Y130 AromaticContact CZ-CZ 3.2Å; Y39-Y130 WeakPolarHBondContact OH-CE2 3.44Å; Y39-Y130 PolarHBondContact OH-OH 3.31Å
40	T	61.8	Low	66.7	Low	4 Å²	4	78.6 Å²	78.6	3%	0.025	42%	0.424	C	S	.	.	H	α-helix	trans	-60.4	-39.4	176.2	-45	0	0	0	0	110.7	P36 L37 V42 L43 M44 A72 Y75	P36-T40 PolarHBondContact O-N 3.2Å; P36-T40 PolarHBondContact O-OG1 3.28Å; L37-T40 PolarHBondContact O-N 3.41Å; T40-V42 PolarHBondContact O-N 3.5Å; T40-L43 PolarHBondContact O-N 2.78Å; T40-M44 HydrophobicContact CG2-CE 3.71Å; T40-M44 VanDerWaalsContact O-CG 3.27Å; T40-M44 WeakPolarHBondContact O-CG 3.28Å; T40-M44 PolarHBondContact O-N 3Å; T40-A72 HydrophobicContact CG2-CB 4.26Å; T40-Y75 HydrophobicContact CG2-CD2 3.59Å; T40-Y75 HydrophobicContact CG2-CE2 4.46Å; T40-Y75 HydrophobicContact CG2-CG 4.11Å
41	K	68.5	Low	65.9	Low	132 Å²	132	79.8 Å²	79.8	57%	0.574	42%	0.424	S	S	*	.	H	α-helix	trans	-61.9	-42	175.9	-171	179.4	179.6	179.5	0	112.5	L37 N38 Y39 M44 Q45	L37-K41 PolarHBondContact O-N 3.08Å; L37-K41 VanDerWaalsContact O-N 3.08Å; N38-K41 WeakPolarHBondContact O-CB 3.49Å; N38-K41 PolarHBondContact O-N 2.89Å; Y39-K41 PolarHBondContact O-N 3.42Å; K41-M44 PolarHBondContact O-N 2.97Å; K41-Q45 WeakPolarHBondContact O-CG 3.47Å; K41-Q45 PolarHBondContact O-N 3.31Å; K41-Q45 VanDerWaalsContact O-N 3.09Å
42	V	72.6	Confident	65	Low	77 Å²	77	82.5 Å²	82.5	47%	0.467	44%	0.44	S	S	.	.	H	α-helix	trans	-67.1	-41.1	176.9	174.2	0	0	0	0	111.2	N38 Y39 T40 M44 Q45 L46	N38-V42 WeakPolarHBondContact O-CG2 2.9Å; N38-V42 PolarHBondContact O-N 2.72Å; N38-V42 VanDerWaalsContact O-N 3.11Å; Y39-V42 PolarHBondContact O-N 3.2Å; Y39-V42 VanDerWaalsContact O-N 3.15Å; T40-V42 PolarHBondContact O-N 3.5Å; V42-M44 PolarHBondContact O-N 3.5Å; V42-Q45 WeakPolarHBondContact O-CB 3.47Å; V42-Q45 PolarHBondContact O-N 3.18Å; V42-L46 HydrophobicContact CG1-CD1 4.12Å; V42-L46 WeakPolarHBondContact O-CG 3.33Å; V42-L46 PolarHBondContact O-N 3.24Å
43	L	60.3	Low	64	Low	23 Å²	23	84 Å²	84	12%	0.12	45%	0.445	C	S	.	.	H	α-helix	trans	-60.3	-43.7	174.7	-82.9	166.8	0	0	0	112.5	Y39 T40 Q45 L46 G47 H48 Y130	Y39-L43 HydrophobicContact CD1-CD1 3.49Å; Y39-L43 VanDerWaalsContact CD1-CD1 3.49Å; Y39-L43 HydrophobicContact CD1-CG 4.31Å; Y39-L43 HydrophobicContact CE1-CD1 3.22Å; Y39-L43 HydrophobicContact CE1-CG 4.13Å; Y39-L43 PolarHBondContact O-N 3.24Å; T40-L43 PolarHBondContact O-N 2.78Å; L43-Q45 VanDerWaalsContact C-N 3.28Å; L43-Q45 PolarHBondContact O-N 3Å; L43-L46 PolarHBondContact O-N 3.29Å; L43-G47 PolarHBondContact O-N 3.11Å; L43-H48 PolarHBondContact O-N 2.85Å; L43-Y130 WeakPolarHBondContact CD2-OH 3.4Å
44	M	61.8	Low	63.2	Low	60 Å²	60	80.8 Å²	80.8	30%	0.296	44%	0.437	S	S	.	.	H	α-helix	trans	-60.2	-39.6	174.8	-72.1	172.5	179.5	0	0	111.5	T40 K41 V42 L46 G47 L69 A72	T40-M44 HydrophobicContact CG2-CE 3.71Å; T40-M44 VanDerWaalsContact O-CG 3.27Å; T40-M44 WeakPolarHBondContact O-CG 3.28Å; T40-M44 PolarHBondContact O-N 3Å; K41-M44 PolarHBondContact O-N 2.97Å; V42-M44 PolarHBondContact O-N 3.5Å; M44-L46 VanDerWaalsContact C-N 3.34Å; M44-L46 PolarHBondContact O-N 2.94Å; M44-G47 PolarHBondContact O-N 3.15Å; M44-L69 HydrophobicContact CE-CB 4.35Å; M44-L69 HydrophobicContact CE-CD2 3.27Å; M44-L69 HydrophobicContact CE-CG 4.39Å; M44-L69 HydrophobicContact CG-CD2 4.22Å; M44-L69 HydrophobicContact SD-CD2 3.54Å; M44-L69 VanDerWaalsContact SD-CD2 3.54Å; M44-A72 HydrophobicContact CE-CB 3.96Å
45	Q	73.3	Confident	62	Low	145 Å²	145	80.8 Å²	80.8	68%	0.678	44%	0.44	S	S	*	.	H	α-helix	trans	-68.4	-31.5	177.2	-73.6	176.3	-20.9	0	0	113.2	K41 V42 L43 G47	K41-Q45 WeakPolarHBondContact O-CG 3.47Å; K41-Q45 PolarHBondContact O-N 3.31Å; K41-Q45 VanDerWaalsContact O-N 3.09Å; V42-Q45 WeakPolarHBondContact O-CB 3.47Å; V42-Q45 PolarHBondContact O-N 3.18Å; L43-Q45 VanDerWaalsContact C-N 3.28Å; L43-Q45 PolarHBondContact O-N 3Å; Q45-G47 PolarHBondContact O-N 3.44Å
46	L	69.9	Low	61	Low	113 Å²	113	77.2 Å²	77.2	59%	0.592	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-8.7	175.7	-73.1	166.8	0	0	0	113.1	V42 L43 M44 H48	V42-L46 HydrophobicContact CG1-CD1 4.12Å; V42-L46 WeakPolarHBondContact O-CG 3.33Å; V42-L46 PolarHBondContact O-N 3.24Å; L43-L46 PolarHBondContact O-N 3.29Å; M44-L46 VanDerWaalsContact C-N 3.34Å; M44-L46 PolarHBondContact O-N 2.94Å; L46-H48 PolarHBondContact O-N 3.32Å
47	G	62.6	Low	60.3	Low	61 Å²	61	84.4 Å²	84.4	63%	0.629	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.7	5.1	-177.1	0	0	0	0	0	114.3	L43 M44 Q45 E49	L43-G47 PolarHBondContact O-N 3.11Å; M44-G47 PolarHBondContact O-N 3.15Å; Q45-G47 PolarHBondContact O-N 3.44Å; G47-E49 PolarHBondContact O-N 3.47Å
48	H	57.3	Low	59.7	Low	139 Å²	139	83.8 Å²	83.8	64%	0.644	45%	0.454	S	S	*	.			trans	-88.5	82.8	172.1	-77.8	-63.8	0	0	0	109.4	L43 L46 P50	L43-H48 PolarHBondContact O-N 2.85Å; L46-H48 PolarHBondContact O-N 3.32Å; H48-P50 WeakPolarHBondContact O-CD 3.23Å
49	E	55.7	Low	58.7	Low	47 Å²	47	84.2 Å²	84.2	22%	0.22	45%	0.454	C	S	.	.			trans	-88.9	105.1	164.3	-76.1	-118	148.1	0	0	108.6	G47 M51	G47-E49 PolarHBondContact O-N 3.47Å; E49-M51 PolarHBondContact O-N 3.09Å; E49-M51 VanDerWaalsContact O-N 3.13Å
50	P	53.2	Low	58.4	Low	101 Å²	101	88.8 Å²	88.8	66%	0.656	48%	0.481	S	S	*	.	S	Bend	trans	-73.3	2.8	179.5	25.6	-31.3	0	0	0	113.8	H48 Y75	H48-P50 WeakPolarHBondContact O-CD 3.23Å; P50-Y75 VanDerWaalsContact CD-OH 3.31Å; P50-Y75 WeakPolarHBondContact CD-OH 3.39Å; P50-Y75 HydrophobicContact CG-CE1 3.68Å
51	M	53.4	Low	57.9	Low	63 Å²	63	98.6 Å²	98.6	31%	0.31	52%	0.518	S	S	.	.	S	Bend	trans	-126.2	139.9	173.4	-61.1	-170	-149.8	0	0	109.5	E49 Y75 L78	E49-M51 PolarHBondContact O-N 3.09Å; E49-M51 VanDerWaalsContact O-N 3.13Å; M51-Y75 HydrophobicContact CB-CE1 4.46Å; M51-Y75 WeakPolarHBondContact CB-OH 3.22Å; M51-Y75 HydrophobicContact CE-CD1 3.82Å; M51-Y75 HydrophobicContact CE-CE1 3.66Å; M51-Y75 HydrophobicContact CG-CE1 3.92Å; M51-Y75 PolarHBondContact N-OH 3.41Å; M51-Y75 HydrophobicContact SD-CE1 4.24Å; M51-L78 HydrophobicContact CE-CD2 3.86Å
52	P	52.7	Low	57	Low	119 Å²	119	101.6 Å²	101.6	77%	0.773	53%	0.532	S	S	*	.	P	Polyproline II helix	trans	-61.8	139.5	177.9	25.9	-32.9	0	0	0	110.3	G54 N71	P52-G54 PolarHBondContact O-N 3.46Å; P52-N71 PolarHBondContact O-ND2 2.93Å
53	L	52.1	Low	55.8	Low	90 Å²	90	98.8 Å²	98.8	47%	0.471	52%	0.519	S	S	.	.	P	Polyproline II helix	trans	-63.5	121.2	178	-65.6	96.5	0	0	0	109.6	Y67	L53-Y67 HydrophobicContact CB-CD1 3.85Å; L53-Y67 HydrophobicContact CB-CE1 4.35Å; L53-Y67 HydrophobicContact CD2-CD1 3.93Å; L53-Y67 HydrophobicContact CD2-CG 4.05Å
54	G	54.1	Low	55.6	Low	36 Å²	36	101.2 Å²	101.2	37%	0.371	54%	0.537	S	S	.	.	P	Polyproline II helix	trans	-79.3	118.4	170.3	0	0	0	0	0	110.2	P52 G56	P52-G54 PolarHBondContact O-N 3.46Å; G54-G56 PolarHBondContact O-N 3.3Å
55	M	47.8	Very low	55.2	Low	116 Å²	116	104.3 Å²	104.3	57%	0.571	55%	0.551	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-70.8	121.6	171.6	-127.9	156.1	88	0	0	108.7	E65 Y67	M55-E65 HydrophobicContact CE-CB 4.45Å; M55-E65 WeakPolarHBondContact CE-OE2 3.31Å; M55-Y67 HydrophobicContact CG-CD1 4.38Å; M55-Y67 HydrophobicContact CG-CE1 4.27Å; M55-Y67 HydrophobicContact SD-CE1 4.26Å
56	G	52.2	Low	54.1	Low	24 Å²	24	105.4 Å²	105.4	25%	0.247	55%	0.549	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	155.7	-179.4	0	0	0	0	0	111.4	G54 T58 I68	G54-G56 PolarHBondContact O-N 3.3Å; G56-T58 PolarHBondContact O-N 3.4Å; G56-I68 WeakPolarHBondContact O-CG1 3.41Å
57	R	51.3	Low	53.3	Low	175 Å²	175	107 Å²	107	66%	0.66	55%	0.548	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.7	111.9	175.1	-70.9	-177.2	178	178.1	-0.4	110.2	M59 I68	R57-M59 PolarHBondContact O-N 3.17Å; R57-M59 VanDerWaalsContact O-N 3.16Å; R57-I68 VanDerWaalsContact C-CD1 3.48Å; R57-I68 WeakPolarHBondContact O-CD1 3.27Å
58	T	56.2	Low	52.7	Low	70 Å²	70	106.9 Å²	106.9	43%	0.429	53%	0.533	S	S	.	.	S	Bend	trans	-60.9	-23.1	-176.3	47.9	0	0	0	0	113.5	G56 R66 I68	G56-T58 PolarHBondContact O-N 3.4Å; T58-R66 HydrophobicContact CG2-CB 3.82Å; T58-I68 HydrophobicContact CG2-CD1 4.25Å; T58-I68 HydrophobicContact CG2-CG1 3.71Å
59	M	48.8	Very low	52.7	Low	116 Å²	116	104 Å²	104	57%	0.571	52%	0.522	S	S	*	.	S	Bend	trans	-135.7	132.1	169.3	-93.3	-170.4	-71.1	0	0	109.1	R57 Y61	R57-M59 PolarHBondContact O-N 3.17Å; R57-M59 VanDerWaalsContact O-N 3.16Å; M59-Y61 PolarHBondContact O-N 3.48Å; M59-Y61 VanDerWaalsContact O-N 3.07Å
60	I	60.7	Low	52.3	Low	154 Å²	154	105.1 Å²	105.1	79%	0.79	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-26.9	-179.3	-63.5	169.3	0	0	0	111.9
61	Y	50.7	Low	52.5	Low	209 Å²	209	101.4 Å²	101.4	82%	0.82	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.9	-27.4	-174.3	-92.4	-87	0	0	0	117.3	M59	M59-Y61 PolarHBondContact O-N 3.48Å; M59-Y61 VanDerWaalsContact O-N 3.07Å
62	F	49.8	Very low	52.7	Low	195 Å²	195	99.6 Å²	99.6	86%	0.855	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-154.7	38.1	-174.6	-108.1	-81.7	0	0	0	114.4
63	G	48.4	Very low	53.2	Low	18 Å²	18	99.9 Å²	99.9	19%	0.186	50%	0.497	C	S	.	.			trans	-104.7	123.1	-179.8	0	0	0	0	0	112.8
64	S	55.9	Low	53.7	Low	74 Å²	74	97.2 Å²	97.2	52%	0.517	49%	0.491	S	S	.	.			trans	-49.2	140.8	163.2	61.3	0	0	0	0	109.9	R66	S64-R66 PolarHBondContact O-N 3.47Å; S64-R66 PolarHBondContact OG-NE 2.94Å
65	E	53.6	Low	54.2	Low	126 Å²	126	96.1 Å²	96.1	59%	0.589	48%	0.476	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-55.4	109.4	172.5	-65.1	-177.1	165.3	0	0	108.8	M55	M55-E65 HydrophobicContact CE-CB 4.45Å; M55-E65 WeakPolarHBondContact CE-OE2 3.31Å
66	R	49.3	Very low	54.7	Low	168 Å²	168	91.3 Å²	91.3	63%	0.634	45%	0.453	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.8	147.5	171.2	-69	-173.9	-173.8	-157.3	1.5	106.1	T58 S64 I68	T58-R66 HydrophobicContact CG2-CB 3.82Å; S64-R66 PolarHBondContact O-N 3.47Å; S64-R66 PolarHBondContact OG-NE 2.94Å; R66-I68 VanDerWaalsContact C-N 3.28Å; R66-I68 PolarHBondContact O-N 2.96Å
67	Y	54.3	Low	55.3	Low	146 Å²	146	93.3 Å²	93.3	57%	0.573	46%	0.461	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.1	99.2	166.4	-61.7	-75.9	0	0	0	107.7	L53 M55	L53-Y67 HydrophobicContact CB-CD1 3.85Å; L53-Y67 HydrophobicContact CB-CE1 4.35Å; L53-Y67 HydrophobicContact CD2-CD1 3.93Å; L53-Y67 HydrophobicContact CD2-CG 4.05Å; M55-Y67 HydrophobicContact CG-CD1 4.38Å; M55-Y67 HydrophobicContact CG-CE1 4.27Å; M55-Y67 HydrophobicContact SD-CE1 4.26Å
68	I	48.8	Very low	55.9	Low	58 Å²	58	89.1 Å²	89.1	30%	0.297	45%	0.451	S	S	.	.			trans	-69.1	138.6	163.5	-52.9	-176.1	0	0	0	103.8	G56 R57 T58 R66 P70	G56-I68 WeakPolarHBondContact O-CG1 3.41Å; R57-I68 VanDerWaalsContact C-CD1 3.48Å; R57-I68 WeakPolarHBondContact O-CD1 3.27Å; T58-I68 HydrophobicContact CG2-CD1 4.25Å; T58-I68 HydrophobicContact CG2-CG1 3.71Å; R66-I68 VanDerWaalsContact C-N 3.28Å; R66-I68 PolarHBondContact O-N 2.96Å; I68-P70 WeakPolarHBondContact O-CD 3.49Å
69	L	56.9	Low	56.3	Low	79 Å²	79	88.2 Å²	88.2	41%	0.414	44%	0.443	S	S	.	.			trans	-97.2	69.6	168.3	-76	82.4	0	0	0	108.9	M44 N71	M44-L69 HydrophobicContact CE-CB 4.35Å; M44-L69 HydrophobicContact CE-CD2 3.27Å; M44-L69 HydrophobicContact CE-CG 4.39Å; M44-L69 HydrophobicContact CG-CD2 4.22Å; M44-L69 HydrophobicContact SD-CD2 3.54Å; M44-L69 VanDerWaalsContact SD-CD2 3.54Å; L69-N71 PolarHBondContact O-N 3.28Å; L69-N71 VanDerWaalsContact O-N 3.12Å
70	P	49.1	Very low	57	Low	70 Å²	70	89.7 Å²	89.7	46%	0.455	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-13.6	169.4	32	-33.9	0	0	0	110.7	I68 A72 I73	I68-P70 WeakPolarHBondContact O-CD 3.49Å; P70-A72 VanDerWaalsContact C-N 3.32Å; P70-A72 PolarHBondContact O-N 3.04Å; P70-I73 PolarHBondContact O-N 2.65Å
71	N	56.1	Low	57	Low	24 Å²	24	86 Å²	86	13%	0.128	43%	0.43	C	S	.	.	H	α-helix	trans	-66.6	-24.3	-177	-69.1	-9.2	0	0	0	113.6	P52 L69 I73 G74 Y75	P52-N71 PolarHBondContact O-ND2 2.93Å; L69-N71 PolarHBondContact O-N 3.28Å; L69-N71 VanDerWaalsContact O-N 3.12Å; N71-I73 VanDerWaalsContact C-N 3.27Å; N71-I73 PolarHBondContact O-N 2.93Å; N71-G74 CarbonylContact O-C 3.59Å; N71-G74 PolarHBondContact O-N 3.34Å; N71-Y75 VanDerWaalsContact C-CD2 3.43Å; N71-Y75 HydrophobicContact CB-CD2 3.88Å; N71-Y75 HydrophobicContact CB-CE2 3.5Å; N71-Y75 VanDerWaalsContact O-CB 3.28Å; N71-Y75 WeakPolarHBondContact O-CB 3.45Å; N71-Y75 WeakPolarHBondContact O-CD2 3.25Å; N71-Y75 PolarHBondContact O-N 2.63Å
72	A	57.6	Low	57.5	Low	25 Å²	25	81.1 Å²	81.1	21%	0.207	42%	0.417	C	S	.	.	H	α-helix	trans	-60.8	-38.8	178.9	0	0	0	0	0	112.5	T40 M44 P70 S76	T40-A72 HydrophobicContact CG2-CB 4.26Å; M44-A72 HydrophobicContact CE-CB 3.96Å; P70-A72 VanDerWaalsContact C-N 3.32Å; P70-A72 PolarHBondContact O-N 3.04Å; A72-S76 WeakPolarHBondContact O-CB 3.5Å; A72-S76 PolarHBondContact O-N 2.95Å
73	I	63.3	Low	58.1	Low	125 Å²	125	78.7 Å²	78.7	64%	0.641	40%	0.402	S	S	*	.	H	α-helix	trans	-72.8	-43.6	177	-57.7	175.2	0	0	0	109.8	P70 N71 Y75 S76 T77	P70-I73 PolarHBondContact O-N 2.65Å; N71-I73 VanDerWaalsContact C-N 3.27Å; N71-I73 PolarHBondContact O-N 2.93Å; I73-Y75 VanDerWaalsContact C-N 3.31Å; I73-Y75 PolarHBondContact O-N 3.23Å; I73-S76 PolarHBondContact O-N 3.26Å; I73-S76 PolarHBondContact O-OG 2.96Å; I73-T77 PolarHBondContact O-N 2.88Å; I73-T77 PolarHBondContact O-OG1 3.25Å
74	G	63.9	Low	58.7	Low	34 Å²	34	81 Å²	81	35%	0.351	42%	0.415	S	S	.	.	H	α-helix	trans	-56.1	-44.7	173.4	0	0	0	0	0	112.4	N71 T77 L78	N71-G74 CarbonylContact O-C 3.59Å; N71-G74 PolarHBondContact O-N 3.34Å; G74-T77 PolarHBondContact O-N 3.44Å; G74-L78 PolarHBondContact O-N 2.93Å
75	Y	63	Low	58.8	Low	13 Å²	13	82.8 Å²	82.8	5%	0.051	42%	0.418	C	S	.	.	H	α-helix	trans	-61.3	-49	174.9	-74.3	-50.1	0	0	0	111.8	T40 P50 M51 N71 I73 T77 L78 L79	T40-Y75 HydrophobicContact CG2-CD2 3.59Å; T40-Y75 HydrophobicContact CG2-CE2 4.46Å; T40-Y75 HydrophobicContact CG2-CG 4.11Å; P50-Y75 VanDerWaalsContact CD-OH 3.31Å; P50-Y75 WeakPolarHBondContact CD-OH 3.39Å; P50-Y75 HydrophobicContact CG-CE1 3.68Å; M51-Y75 HydrophobicContact CB-CE1 4.46Å; M51-Y75 WeakPolarHBondContact CB-OH 3.22Å; M51-Y75 HydrophobicContact CE-CD1 3.82Å; M51-Y75 HydrophobicContact CE-CE1 3.66Å; M51-Y75 HydrophobicContact CG-CE1 3.92Å; M51-Y75 PolarHBondContact N-OH 3.41Å; M51-Y75 HydrophobicContact SD-CE1 4.24Å; N71-Y75 VanDerWaalsContact C-CD2 3.43Å; N71-Y75 HydrophobicContact CB-CD2 3.88Å; N71-Y75 HydrophobicContact CB-CE2 3.5Å; N71-Y75 VanDerWaalsContact O-CB 3.28Å; N71-Y75 WeakPolarHBondContact O-CB 3.45Å; N71-Y75 WeakPolarHBondContact O-CD2 3.25Å; N71-Y75 PolarHBondContact O-N 2.63Å; I73-Y75 VanDerWaalsContact C-N 3.31Å; I73-Y75 PolarHBondContact O-N 3.23Å; Y75-T77 PolarHBondContact O-N 3.21Å; Y75-L78 PolarHBondContact O-N 2.86Å; Y75-L79 WeakPolarHBondContact O-CB 3.47Å; Y75-L79 WeakPolarHBondContact O-CD1 3.46Å; Y75-L79 PolarHBondContact O-N 3.23Å
76	S	59.5	Low	59.2	Low	14 Å²	14	79.9 Å²	79.9	10%	0.098	41%	0.412	C	S	.	.	H	α-helix	trans	-59.3	-34.1	178.3	77.8	0	0	0	0	112.1	A72 I73 R80	A72-S76 WeakPolarHBondContact O-CB 3.5Å; A72-S76 PolarHBondContact O-N 2.95Å; I73-S76 PolarHBondContact O-N 3.26Å; I73-S76 PolarHBondContact O-OG 2.96Å; S76-R80 VanDerWaalsContact O-CB 3.22Å; S76-R80 WeakPolarHBondContact O-CB 2.86Å; S76-R80 PolarHBondContact O-N 3.23Å
77	T	64.2	Low	59.6	Low	67 Å²	67	75.9 Å²	75.9	41%	0.411	40%	0.402	S	S	.	.	H	α-helix	trans	-73.4	-44.1	178.6	-51.2	0	0	0	0	111	I73 G74 Y75 R80 C81	I73-T77 PolarHBondContact O-N 2.88Å; I73-T77 PolarHBondContact O-OG1 3.25Å; G74-T77 PolarHBondContact O-N 3.44Å; Y75-T77 PolarHBondContact O-N 3.21Å; T77-R80 PolarHBondContact O-N 3.27Å; T77-C81 PolarHBondContact O-N 2.88Å
78	L	63	Low	59.8	Low	87 Å²	87	75.1 Å²	75.1	46%	0.455	40%	0.404	S	S	.	.	H	α-helix	trans	-61.3	-46.9	174.8	-178.7	65.5	0	0	0	111.7	M51 G74 Y75 R80 C81 L82	M51-L78 HydrophobicContact CE-CD2 3.86Å; G74-L78 PolarHBondContact O-N 2.93Å; Y75-L78 PolarHBondContact O-N 2.86Å; L78-R80 VanDerWaalsContact C-N 3.31Å; L78-R80 PolarHBondContact O-N 2.87Å; L78-C81 WeakPolarHBondContact O-CB 3.16Å; L78-C81 PolarHBondContact O-N 3.13Å; L78-L82 HydrophobicContact CD1-CD1 4.35Å; L78-L82 HydrophobicContact CG-CD1 4Å; L78-L82 PolarHBondContact O-N 2.94Å
79	L	66.3	Low	60.2	Low	50 Å²	50	75.5 Å²	75.5	26%	0.262	41%	0.411	S	S	.	.	H	α-helix	trans	-60.3	-40.9	175.2	-85.5	148.5	0	0	0	111.5	P36 Y39 Y75 L82 R83	P36-L79 HydrophobicContact CB-CB 4.5Å; P36-L79 HydrophobicContact CB-CD1 4.35Å; Y39-L79 HydrophobicContact CD1-CD1 3.88Å; Y39-L79 HydrophobicContact CD1-CD2 4.35Å; Y39-L79 HydrophobicContact CE1-CD1 4.09Å; Y39-L79 HydrophobicContact CE1-CD2 4.05Å; Y75-L79 WeakPolarHBondContact O-CB 3.47Å; Y75-L79 WeakPolarHBondContact O-CD1 3.46Å; Y75-L79 PolarHBondContact O-N 3.23Å; L79-L82 PolarHBondContact O-N 3.39Å; L79-R83 WeakPolarHBondContact O-CB 3.48Å; L79-R83 PolarHBondContact O-N 3.21Å
80	R	62.8	Low	60.4	Low	148 Å²	148	75.8 Å²	75.8	56%	0.558	41%	0.409	S	S	*	.	H	α-helix	trans	-64.9	-41.1	175.9	-169	-178.1	-70.9	126.9	-4	111.5	S76 T77 L78 R83 S84	S76-R80 VanDerWaalsContact O-CB 3.22Å; S76-R80 WeakPolarHBondContact O-CB 2.86Å; S76-R80 PolarHBondContact O-N 3.23Å; T77-R80 PolarHBondContact O-N 3.27Å; L78-R80 VanDerWaalsContact C-N 3.31Å; L78-R80 PolarHBondContact O-N 2.87Å; R80-R83 PolarHBondContact O-N 2.87Å; R80-S84 PolarHBondContact O-N 3.36Å
81	C	60.3	Low	61.1	Low	77 Å²	77	76 Å²	76	52%	0.52	41%	0.409	S	S	.	.	H	α-helix	trans	-63.9	-45.6	174.1	-91.5	0	0	0	0	112.6	T77 L78 R83 S84 L85	T77-C81 PolarHBondContact O-N 2.88Å; L78-C81 WeakPolarHBondContact O-CB 3.16Å; L78-C81 PolarHBondContact O-N 3.13Å; C81-R83 VanDerWaalsContact C-N 3.27Å; C81-R83 PolarHBondContact O-N 3.25Å; C81-S84 PolarHBondContact O-N 3.13Å; C81-S84 PolarHBondContact O-OG 2.86Å; C81-S84 VanDerWaalsContact O-OG 3.13Å; C81-L85 WeakPolarHBondContact O-CB 3.39Å; C81-L85 PolarHBondContact O-N 3.36Å
82	L	60.8	Low	61.3	Low	105 Å²	105	77.7 Å²	77.7	55%	0.55	42%	0.423	S	S	.	.	H	α-helix	trans	-58.8	-42.1	174.5	-84.4	149.9	0	0	0	111.1	L78 L79 L85 S86	L78-L82 HydrophobicContact CD1-CD1 4.35Å; L78-L82 HydrophobicContact CG-CD1 4Å; L78-L82 PolarHBondContact O-N 2.94Å; L79-L82 PolarHBondContact O-N 3.39Å; L82-L85 PolarHBondContact O-N 3.46Å; L82-S86 PolarHBondContact O-N 2.86Å; L82-S86 PolarHBondContact O-OG 3.27Å
83	R	63.1	Low	61.2	Low	145 Å²	145	78.5 Å²	78.5	55%	0.547	43%	0.429	S	S	.	.	H	α-helix	trans	-64.8	-45.7	176.4	-148.6	176.5	85.3	127.4	2.2	111.5	T32 L79 R80 C81 L85 S86 I87	T32-R83 VanDerWaalsContact CG2-NH1 3.3Å; L79-R83 WeakPolarHBondContact O-CB 3.48Å; L79-R83 PolarHBondContact O-N 3.21Å; R80-R83 PolarHBondContact O-N 2.87Å; C81-R83 VanDerWaalsContact C-N 3.27Å; C81-R83 PolarHBondContact O-N 3.25Å; R83-L85 VanDerWaalsContact C-N 3.34Å; R83-L85 PolarHBondContact O-N 3.4Å; R83-S86 PolarHBondContact O-N 3.11Å; R83-S86 PolarHBondContact O-OG 3.35Å; R83-I87 HydrophobicContact CG-CD1 4.26Å; R83-I87 VanDerWaalsContact O-CG1 3.28Å; R83-I87 WeakPolarHBondContact O-CG1 3.04Å; R83-I87 PolarHBondContact O-N 3.1Å
84	S	60.6	Low	60.8	Low	65 Å²	65	74.9 Å²	74.9	46%	0.455	41%	0.413	S	S	.	.	H	α-helix	trans	-64.5	-39.3	178	82.6	0	0	0	0	111.7	R80 C81 I87 Q88	R80-S84 PolarHBondContact O-N 3.36Å; C81-S84 PolarHBondContact O-N 3.13Å; C81-S84 PolarHBondContact O-OG 2.86Å; C81-S84 VanDerWaalsContact O-OG 3.13Å; S84-I87 PolarHBondContact O-N 3.45Å; S84-Q88 VanDerWaalsContact O-CB 3.26Å; S84-Q88 WeakPolarHBondContact O-CB 3.38Å; S84-Q88 PolarHBondContact O-N 3.4Å
85	L	58.1	Low	60.5	Low	112 Å²	112	78.7 Å²	78.7	59%	0.586	42%	0.422	S	S	*	.	H	α-helix	trans	-64.5	-43.8	178.2	-165.4	73.6	0	0	0	111.4	C81 L82 R83 I87 Q88 C89	C81-L85 WeakPolarHBondContact O-CB 3.39Å; C81-L85 PolarHBondContact O-N 3.36Å; L82-L85 PolarHBondContact O-N 3.46Å; R83-L85 VanDerWaalsContact C-N 3.34Å; R83-L85 PolarHBondContact O-N 3.4Å; L85-I87 PolarHBondContact O-N 2.75Å; L85-Q88 PolarHBondContact O-N 2.99Å; L85-C89 WeakPolarHBondContact O-CB 3.08Å; L85-C89 PolarHBondContact O-N 3.12Å; L85-C89 PolarHBondContact O-SG 3.13Å
86	S	62.3	Low	59.8	Low	66 Å²	66	83.9 Å²	83.9	46%	0.462	45%	0.45	S	S	.	.	H	α-helix	trans	-62.3	-41.7	176.5	70	0	0	0	0	112.4	L82 R83 C89 F90	L82-S86 PolarHBondContact O-N 2.86Å; L82-S86 PolarHBondContact O-OG 3.27Å; R83-S86 PolarHBondContact O-N 3.11Å; R83-S86 PolarHBondContact O-OG 3.35Å; S86-C89 PolarHBondContact O-N 3.44Å; S86-F90 PolarHBondContact O-N 3.4Å
87	I	57.6	Low	59.5	Low	83 Å²	83	86.1 Å²	86.1	43%	0.426	46%	0.458	S	S	.	.	H	α-helix	trans	-68.7	-43.5	177.4	-65.1	166	0	0	0	110.1	R83 S84 L85 C89 F90 V91	R83-I87 HydrophobicContact CG-CD1 4.26Å; R83-I87 VanDerWaalsContact O-CG1 3.28Å; R83-I87 WeakPolarHBondContact O-CG1 3.04Å; R83-I87 PolarHBondContact O-N 3.1Å; S84-I87 PolarHBondContact O-N 3.45Å; L85-I87 PolarHBondContact O-N 2.75Å; I87-C89 VanDerWaalsContact C-N 3.31Å; I87-C89 PolarHBondContact O-N 3.06Å; I87-F90 WeakPolarHBondContact O-CB 3.24Å; I87-F90 PolarHBondContact O-N 3.41Å; I87-F90 VanDerWaalsContact O-N 3.14Å; I87-V91 HydrophobicContact CG2-CG2 4.14Å; I87-V91 WeakPolarHBondContact O-CB 3.35Å; I87-V91 VanDerWaalsContact O-CG2 3.31Å; I87-V91 WeakPolarHBondContact O-CG2 3.41Å; I87-V91 PolarHBondContact O-N 2.78Å
88	Q	59.1	Low	58.9	Low	131 Å²	131	87.7 Å²	87.7	61%	0.612	47%	0.472	S	S	*	.	H	α-helix	trans	-59.9	-41.6	177.1	-163.8	88.3	4.3	0	0	111.3	S84 L85 S92	S84-Q88 VanDerWaalsContact O-CB 3.26Å; S84-Q88 WeakPolarHBondContact O-CB 3.38Å; S84-Q88 PolarHBondContact O-N 3.4Å; L85-Q88 PolarHBondContact O-N 2.99Å; Q88-S92 VanDerWaalsContact O-CB 3.29Å; Q88-S92 WeakPolarHBondContact O-CB 3.31Å; Q88-S92 PolarHBondContact O-N 3.06Å; Q88-S92 PolarHBondContact O-OG 3.46Å
89	C	56.8	Low	58.2	Low	66 Å²	66	93.1 Å²	93.1	45%	0.446	49%	0.487	S	S	.	.	H	α-helix	trans	-64.3	-42.1	174.5	-78.3	0	0	0	0	111.8	L85 S86 I87 S92 A93	L85-C89 WeakPolarHBondContact O-CB 3.08Å; L85-C89 PolarHBondContact O-N 3.12Å; L85-C89 PolarHBondContact O-SG 3.13Å; S86-C89 PolarHBondContact O-N 3.44Å; I87-C89 VanDerWaalsContact C-N 3.31Å; I87-C89 PolarHBondContact O-N 3.06Å; C89-S92 PolarHBondContact O-N 2.81Å; C89-A93 WeakPolarHBondContact O-CB 3.28Å; C89-A93 PolarHBondContact O-N 3.14Å
90	F	61.5	Low	57	Low	84 Å²	84	99.3 Å²	99.3	37%	0.368	51%	0.507	S	S	.	.	H	α-helix	trans	-64.4	-45.2	176.5	-174.4	-95.2	0	0	0	112.3	S86 I87 A93 T94 F114	S86-F90 PolarHBondContact O-N 3.4Å; I87-F90 WeakPolarHBondContact O-CB 3.24Å; I87-F90 PolarHBondContact O-N 3.41Å; I87-F90 VanDerWaalsContact O-N 3.14Å; F90-A93 PolarHBondContact O-N 3.35Å; F90-T94 HydrophobicContact CD1-CG2 4.35Å; F90-T94 HydrophobicContact CE1-CG2 3.94Å; F90-T94 HydrophobicContact CZ-CG2 4.14Å; F90-T94 WeakPolarHBondContact O-CG2 3.48Å; F90-T94 PolarHBondContact O-N 2.8Å; F90-T94 PolarHBondContact O-OG1 3.46Å; F90-F114 AromaticContact CD2-CE2 3.81Å; F90-F114 HydrophobicContact CD2-CE2 3.81Å; F90-F114 AromaticContact CD2-CZ 3.73Å; F90-F114 HydrophobicContact CD2-CZ 3.73Å; F90-F114 HydrophobicContact CE2-CE2 4.41Å; F90-F114 HydrophobicContact CE2-CZ 4.12Å
91	V	63.3	Low	56.4	Low	76 Å²	76	98.5 Å²	98.5	46%	0.461	52%	0.52	S	S	.	.	H	α-helix	trans	-64.8	-41.2	176.9	174.5	0	0	0	0	110.8	I87 A93 T94 H95	I87-V91 HydrophobicContact CG2-CG2 4.14Å; I87-V91 WeakPolarHBondContact O-CB 3.35Å; I87-V91 VanDerWaalsContact O-CG2 3.31Å; I87-V91 WeakPolarHBondContact O-CG2 3.41Å; I87-V91 PolarHBondContact O-N 2.78Å; V91-A93 PolarHBondContact O-N 2.91Å; V91-T94 WeakPolarHBondContact CA-OG1 3.45Å; V91-T94 PolarHBondContact O-N 3.36Å; V91-T94 PolarHBondContact O-OG1 3.19Å; V91-H95 VanDerWaalsContact O-CB 3.27Å; V91-H95 WeakPolarHBondContact O-CB 3.49Å; V91-H95 PolarHBondContact O-N 3.35Å
92	S	60.1	Low	55.9	Low	59 Å²	59	98.8 Å²	98.8	41%	0.413	51%	0.513	S	S	.	.	H	α-helix	trans	-65.5	-39.2	176.7	-58.2	0	0	0	0	112	Q88 C89 H95 L96	Q88-S92 VanDerWaalsContact O-CB 3.29Å; Q88-S92 WeakPolarHBondContact O-CB 3.31Å; Q88-S92 PolarHBondContact O-N 3.06Å; Q88-S92 PolarHBondContact O-OG 3.46Å; C89-S92 PolarHBondContact O-N 2.81Å; S92-H95 PolarHBondContact O-N 3.15Å; S92-L96 PolarHBondContact O-N 3.4Å
93	A	54.7	Low	55.3	Low	42 Å²	42	96.2 Å²	96.2	35%	0.347	51%	0.512	S	S	.	.	H	α-helix	trans	-64.6	-42	175.8	0	0	0	0	0	111.8	C89 F90 V91 Q97 F114	C89-A93 WeakPolarHBondContact O-CB 3.28Å; C89-A93 PolarHBondContact O-N 3.14Å; F90-A93 PolarHBondContact O-N 3.35Å; V91-A93 PolarHBondContact O-N 2.91Å; A93-Q97 PolarHBondContact O-N 3.34Å; A93-F114 HydrophobicContact CB-CD2 4.38Å
94	T	56.6	Low	54.9	Low	49 Å²	49	95.6 Å²	95.6	30%	0.301	52%	0.519	S	S	.	.	H	α-helix	trans	-70.7	-37.7	177.2	49.5	0	0	0	0	112.3	F90 V91 Q97 S98	F90-T94 HydrophobicContact CD1-CG2 4.35Å; F90-T94 HydrophobicContact CE1-CG2 3.94Å; F90-T94 HydrophobicContact CZ-CG2 4.14Å; F90-T94 WeakPolarHBondContact O-CG2 3.48Å; F90-T94 PolarHBondContact O-N 2.8Å; F90-T94 PolarHBondContact O-OG1 3.46Å; V91-T94 WeakPolarHBondContact CA-OG1 3.45Å; V91-T94 PolarHBondContact O-N 3.36Å; V91-T94 PolarHBondContact O-OG1 3.19Å; T94-Q97 WeakPolarHBondContact O-CB 3.26Å; T94-Q97 PolarHBondContact O-N 3.47Å; T94-S98 PolarHBondContact O-N 3.49Å
95	H	56.8	Low	54.8	Low	113 Å²	113	99.6 Å²	99.6	52%	0.523	53%	0.534	S	S	.	.	H	α-helix	trans	-68.5	-38	178	-168.8	-90.9	0	0	0	112.5	V91 S92 Q97 S98	V91-H95 VanDerWaalsContact O-CB 3.27Å; V91-H95 WeakPolarHBondContact O-CB 3.49Å; V91-H95 PolarHBondContact O-N 3.35Å; S92-H95 PolarHBondContact O-N 3.15Å; H95-Q97 VanDerWaalsContact C-N 3.27Å; H95-Q97 PolarHBondContact O-N 2.92Å; H95-S98 PolarHBondContact O-N 3.05Å
96	L	49	Very low	54.6	Low	123 Å²	123	99.4 Å²	99.4	64%	0.644	53%	0.53	S	S	*	.	H	α-helix	trans	-62.4	-35.9	172.8	-111.2	87.5	0	0	0	112	S92 S98	S92-L96 PolarHBondContact O-N 3.4Å; L96-S98 VanDerWaalsContact C-N 3.31Å; L96-S98 PolarHBondContact O-N 3.4Å
97	Q	52.4	Low	54.1	Low	60 Å²	60	101.3 Å²	101.3	28%	0.28	53%	0.527	S	S	.	.	H	α-helix	trans	-68.9	-28.3	-179.1	-154.6	87.7	6.9	0	0	112.9	A93 T94 H95	A93-Q97 PolarHBondContact O-N 3.34Å; T94-Q97 WeakPolarHBondContact O-CB 3.26Å; T94-Q97 PolarHBondContact O-N 3.47Å; H95-Q97 VanDerWaalsContact C-N 3.27Å; H95-Q97 PolarHBondContact O-N 2.92Å
98	S	52.1	Low	53.9	Low	101 Å²	101	103.6 Å²	103.6	71%	0.706	54%	0.537	S	S	*	.	H	α-helix	trans	-71.2	-27.7	-176.2	-179.9	0	0	0	0	113.1	T94 H95 L96	T94-S98 PolarHBondContact O-N 3.49Å; H95-S98 PolarHBondContact O-N 3.05Å; L96-S98 VanDerWaalsContact C-N 3.31Å; L96-S98 PolarHBondContact O-N 3.4Å
99	R	47.9	Very low	53.8	Low	200 Å²	200	102.1 Å²	102.1	76%	0.755	53%	0.53	S	S	*	.	S	Bend	trans	-88.8	-14.8	-164.6	-76.1	-112.2	-178.2	-176.7	0.1	116.5
100	R	42.2	Very low	53.6	Low	181 Å²	181	101.6 Å²	101.6	68%	0.683	53%	0.527	S	S	*	.			trans	-153.3	145.6	169.9	-64.3	-162.9	-170.8	-149.6	7.7	112.9	F102	R100-F102 VanDerWaalsContact C-N 3.26Å; R100-F102 HydrophobicContact CB-CD2 3.91Å; R100-F102 HydrophobicContact CB-CE2 3.61Å; R100-F102 HydrophobicContact CB-CZ 3.95Å; R100-F102 HydrophobicContact CG-CE2 4.35Å; R100-F102 HydrophobicContact CG-CZ 4.39Å; R100-F102 VanDerWaalsContact O-CD2 3.31Å; R100-F102 WeakPolarHBondContact O-CD2 3.46Å; R100-F102 PolarHBondContact O-N 2.71Å
101	P	49.3	Very low	53.6	Low	130 Å²	130	101.5 Å²	101.5	84%	0.844	53%	0.529	S	S	*	.			trans	-68.3	86	168.4	30.2	-33.6	0	0	0	109
102	F	48.9	Very low	53.5	Low	83 Å²	83	101.7 Å²	101.7	36%	0.364	53%	0.525	S	S	.	.			trans	-78.5	139.9	177.2	-76.7	-73.8	0	0	0	111.2	R100 Q106 R107	R100-F102 VanDerWaalsContact C-N 3.26Å; R100-F102 HydrophobicContact CB-CD2 3.91Å; R100-F102 HydrophobicContact CB-CE2 3.61Å; R100-F102 HydrophobicContact CB-CZ 3.95Å; R100-F102 HydrophobicContact CG-CE2 4.35Å; R100-F102 HydrophobicContact CG-CZ 4.39Å; R100-F102 VanDerWaalsContact O-CD2 3.31Å; R100-F102 WeakPolarHBondContact O-CD2 3.46Å; R100-F102 PolarHBondContact O-N 2.71Å; F102-Q106 HydrophobicContact CB-CB 4.35Å; F102-Q106 HydrophobicContact CD1-CG 4.46Å; F102-R107 PolarHBondContact O-NE 3.16Å
103	G	49.6	Very low	53.6	Low	51 Å²	51	106.9 Å²	106.9	53%	0.526	54%	0.535	S	S	.	.			trans	-59.4	159.9	177.3	0	0	0	0	0	113.3	I105 Q106 R107	G103-I105 PolarHBondContact O-N 3.26Å; G103-I105 VanDerWaalsContact O-N 3.12Å; G103-Q106 PolarHBondContact O-N 3.12Å; G103-Q106 VanDerWaalsContact O-N 3.08Å; G103-R107 PolarHBondContact O-N 2.99Å
104	L	53.3	Low	54.1	Low	133 Å²	133	108.1 Å²	108.1	70%	0.696	53%	0.533	S	S	*	.	H	α-helix	trans	-51.4	-38.7	-171.3	-129	111.7	0	0	0	113.7	Q106 R107 M108	L104-Q106 PolarHBondContact O-N 2.72Å; L104-R107 PolarHBondContact O-N 3.47Å; L104-M108 PolarHBondContact O-N 2.92Å
105	I	58.8	Low	54.3	Low	149 Å²	149	110.1 Å²	110.1	76%	0.764	54%	0.538	S	S	*	.	H	α-helix	trans	-64	-42.9	-177.6	-62.8	168.5	0	0	0	111	G103 M108 E109	G103-I105 PolarHBondContact O-N 3.26Å; G103-I105 VanDerWaalsContact O-N 3.12Å; I105-M108 PolarHBondContact O-N 3.48Å; I105-E109 PolarHBondContact O-N 3.46Å
106	Q	53.9	Low	54.9	Low	107 Å²	107	108.4 Å²	108.4	50%	0.5	53%	0.532	S	S	.	.	H	α-helix	trans	-78.3	-23.7	-177.5	-158.9	162.9	4.7	0	0	112.3	F102 G103 L104 C110	F102-Q106 HydrophobicContact CB-CB 4.35Å; F102-Q106 HydrophobicContact CD1-CG 4.46Å; G103-Q106 PolarHBondContact O-N 3.12Å; G103-Q106 VanDerWaalsContact O-N 3.08Å; L104-Q106 PolarHBondContact O-N 2.72Å; Q106-C110 PolarHBondContact O-N 3.02Å
107	R	53.2	Low	55.6	Low	106 Å²	106	106.5 Å²	106.5	40%	0.4	53%	0.525	S	S	.	.	H	α-helix	trans	-67.2	-39.7	169	-68.8	-174.1	-178	-160.5	-2.4	111.7	F102 G103 L104 E109 C110 I111	F102-R107 PolarHBondContact O-NE 3.16Å; G103-R107 PolarHBondContact O-N 2.99Å; L104-R107 PolarHBondContact O-N 3.47Å; R107-E109 VanDerWaalsContact C-N 3.34Å; R107-C110 PolarHBondContact O-N 3.48Å; R107-I111 WeakPolarHBondContact O-CG1 3.29Å; R107-I111 PolarHBondContact O-N 3.42Å
108	M	53.4	Low	56.1	Low	131 Å²	131	106.3 Å²	106.3	65%	0.645	52%	0.522	S	S	*	.	H	α-helix	trans	-63.8	-39	175.9	-74.5	-134.5	151.5	0	0	112.3	L104 I105 C110 I111 H112	L104-M108 PolarHBondContact O-N 2.92Å; I105-M108 PolarHBondContact O-N 3.48Å; M108-C110 PolarHBondContact O-N 2.98Å; M108-I111 PolarHBondContact O-N 3.17Å; M108-H112 VanDerWaalsContact O-CB 3.31Å; M108-H112 WeakPolarHBondContact O-CB 3.33Å; M108-H112 PolarHBondContact O-N 2.96Å
109	E	55.7	Low	56.4	Low	101 Å²	101	104 Å²	104	47%	0.472	50%	0.5	S	S	.	.	H	α-helix	trans	-60	-42.2	173.9	-78.2	-71.1	140.2	0	0	112.5	I105 R107 H112 R113	I105-E109 PolarHBondContact O-N 3.46Å; R107-E109 VanDerWaalsContact C-N 3.34Å; E109-H112 PolarHBondContact O-N 3.46Å; E109-R113 WeakPolarHBondContact O-CG 3.36Å; E109-R113 PolarHBondContact O-N 2.76Å
110	C	53.4	Low	57.1	Low	54 Å²	54	98.6 Å²	98.6	37%	0.365	49%	0.489	S	S	.	.	H	α-helix	trans	-66.1	-44.2	176.4	-77.9	0	0	0	0	111.9	Q106 R107 M108 H112 R113 F114	Q106-C110 PolarHBondContact O-N 3.02Å; R107-C110 PolarHBondContact O-N 3.48Å; M108-C110 PolarHBondContact O-N 2.98Å; C110-H112 VanDerWaalsContact C-N 3.27Å; C110-H112 PolarHBondContact O-N 3.47Å; C110-R113 PolarHBondContact O-N 2.94Å; C110-F114 VanDerWaalsContact O-CB 3.27Å; C110-F114 WeakPolarHBondContact O-CB 3.41Å; C110-F114 PolarHBondContact O-N 3.17Å
111	I	61.6	Low	57.8	Low	82 Å²	82	93.5 Å²	93.5	42%	0.421	48%	0.48	S	S	.	.	H	α-helix	trans	-60.5	-42.1	175.6	-67.3	167	0	0	0	109.6	R107 M108 F114 F115	R107-I111 WeakPolarHBondContact O-CG1 3.29Å; R107-I111 PolarHBondContact O-N 3.42Å; M108-I111 PolarHBondContact O-N 3.17Å; I111-F114 PolarHBondContact O-N 3.2Å; I111-F115 VanDerWaalsContact O-CB 3.28Å; I111-F115 WeakPolarHBondContact O-CB 3.29Å; I111-F115 PolarHBondContact O-N 3.35Å
112	H	59.9	Low	58.3	Low	80 Å²	80	88.4 Å²	88.4	37%	0.37	45%	0.446	S	S	.	.	H	α-helix	trans	-66.4	-44.5	179.5	-169.5	-113.8	0	0	0	112.5	M108 E109 C110 F114 F115 I116	M108-H112 VanDerWaalsContact O-CB 3.31Å; M108-H112 WeakPolarHBondContact O-CB 3.33Å; M108-H112 PolarHBondContact O-N 2.96Å; E109-H112 PolarHBondContact O-N 3.46Å; C110-H112 VanDerWaalsContact C-N 3.27Å; C110-H112 PolarHBondContact O-N 3.47Å; H112-F114 VanDerWaalsContact C-N 3.32Å; H112-F114 PolarHBondContact O-N 3.43Å; H112-F115 CarbonylContact O-C 3.59Å; H112-F115 WeakPolarHBondContact O-CB 3.47Å; H112-F115 PolarHBondContact O-N 3.01Å; H112-I116 WeakPolarHBondContact O-CG1 3.32Å; H112-I116 PolarHBondContact O-N 2.94Å
113	R	64	Low	58.8	Low	168 Å²	168	89.5 Å²	89.5	63%	0.634	45%	0.452	S	S	*	.	H	α-helix	trans	-62.4	-41.6	174.7	-74.4	178.5	-178.7	-102.6	-0.9	111.7	E109 C110 F115 I116 V117	E109-R113 WeakPolarHBondContact O-CG 3.36Å; E109-R113 PolarHBondContact O-N 2.76Å; C110-R113 PolarHBondContact O-N 2.94Å; R113-F115 VanDerWaalsContact C-N 3.31Å; R113-F115 PolarHBondContact O-N 3.01Å; R113-I116 PolarHBondContact O-N 3.45Å; R113-V117 WeakPolarHBondContact O-CG2 3.47Å; R113-V117 PolarHBondContact O-N 3.47Å
114	F	63.2	Low	59.1	Low	68 Å²	68	92.6 Å²	92.6	30%	0.298	45%	0.453	S	S	.	.	H	α-helix	trans	-62.7	-41.7	174.7	-163.4	-88.9	0	0	0	110.9	F90 A93 C110 I111 H112 I116 V117 W118 I141	F90-F114 AromaticContact CD2-CE2 3.81Å; F90-F114 HydrophobicContact CD2-CE2 3.81Å; F90-F114 AromaticContact CD2-CZ 3.73Å; F90-F114 HydrophobicContact CD2-CZ 3.73Å; F90-F114 HydrophobicContact CE2-CE2 4.41Å; F90-F114 HydrophobicContact CE2-CZ 4.12Å; A93-F114 HydrophobicContact CB-CD2 4.38Å; C110-F114 VanDerWaalsContact O-CB 3.27Å; C110-F114 WeakPolarHBondContact O-CB 3.41Å; C110-F114 PolarHBondContact O-N 3.17Å; I111-F114 PolarHBondContact O-N 3.2Å; H112-F114 VanDerWaalsContact C-N 3.32Å; H112-F114 PolarHBondContact O-N 3.43Å; F114-I116 PolarHBondContact O-N 3.43Å; F114-V117 PolarHBondContact O-N 2.97Å; F114-W118 HydrophobicContact CE1-CE3 4.48Å; F114-W118 WeakPolarHBondContact O-CB 3.4Å; F114-W118 PolarHBondContact O-N 2.92Å; F114-I141 HydrophobicContact CE1-CD1 3.99Å
115	F	62.3	Low	59	Low	91 Å²	91	87.5 Å²	87.5	40%	0.399	43%	0.429	S	S	.	.	H	α-helix	trans	-65.9	-36.2	177.2	-150.7	-94.6	0	0	0	112.6	I111 H112 R113 W118 H119 F163	I111-F115 VanDerWaalsContact O-CB 3.28Å; I111-F115 WeakPolarHBondContact O-CB 3.29Å; I111-F115 PolarHBondContact O-N 3.35Å; H112-F115 CarbonylContact O-C 3.59Å; H112-F115 WeakPolarHBondContact O-CB 3.47Å; H112-F115 PolarHBondContact O-N 3.01Å; R113-F115 VanDerWaalsContact C-N 3.31Å; R113-F115 PolarHBondContact O-N 3.01Å; F115-W118 WeakPolarHBondContact O-CB 3.47Å; F115-W118 PolarHBondContact O-N 2.83Å; F115-H119 WeakPolarHBondContact O-CB 3.46Å; F115-H119 PolarHBondContact O-N 2.85Å; F115-F163 HydrophobicContact CE1-CE2 4.16Å; F115-F163 HydrophobicContact CZ-CD2 4.35Å; F115-F163 AromaticContact CZ-CE2 3.92Å; F115-F163 HydrophobicContact CZ-CE2 3.92Å
116	I	69.5	Low	58.3	Low	77 Å²	77	85.2 Å²	85.2	40%	0.395	42%	0.417	S	S	.	.	H	α-helix	trans	-64.9	-49.5	174.2	-68.9	164.6	0	0	0	110.2	H112 R113 F114 W118 H119 V120	H112-I116 WeakPolarHBondContact O-CG1 3.32Å; H112-I116 PolarHBondContact O-N 2.94Å; R113-I116 PolarHBondContact O-N 3.45Å; F114-I116 PolarHBondContact O-N 3.43Å; I116-W118 VanDerWaalsContact C-N 3.27Å; I116-W118 PolarHBondContact O-N 3.46Å; I116-H119 PolarHBondContact O-N 3.34Å; I116-V120 HydrophobicContact CG2-CG2 4.48Å; I116-V120 WeakPolarHBondContact O-CG2 3.28Å; I116-V120 PolarHBondContact O-N 2.76Å
117	V	63.1	Low	58.2	Low	83 Å²	83	90 Å²	90	50%	0.503	43%	0.431	S	S	.	.	H	α-helix	trans	-62	-40.8	178.7	175.2	0	0	0	0	110.6	R113 F114 C121	R113-V117 WeakPolarHBondContact O-CG2 3.47Å; R113-V117 PolarHBondContact O-N 3.47Å; F114-V117 PolarHBondContact O-N 2.97Å; V117-C121 WeakPolarHBondContact O-CB 3.36Å; V117-C121 PolarHBondContact O-N 2.77Å; V117-C121 PolarHBondContact O-SG 3.26Å
118	W	62.2	Low	58.2	Low	57 Å²	57	87.6 Å²	87.6	22%	0.216	43%	0.43	C	S	.	.	H	α-helix	trans	-57.8	-52	172.6	-178.8	-94.5	0	0	0	111.8	F114 F115 I116 V120 C121 V122 S137 S138 I141	F114-W118 HydrophobicContact CE1-CE3 4.48Å; F114-W118 WeakPolarHBondContact O-CB 3.4Å; F114-W118 PolarHBondContact O-N 2.92Å; F115-W118 WeakPolarHBondContact O-CB 3.47Å; F115-W118 PolarHBondContact O-N 2.83Å; I116-W118 VanDerWaalsContact C-N 3.27Å; I116-W118 PolarHBondContact O-N 3.46Å; W118-V120 VanDerWaalsContact C-N 3.35Å; W118-V120 PolarHBondContact O-N 3.48Å; W118-C121 CarbonylContact O-C 3.59Å; W118-C121 WeakPolarHBondContact O-CB 3.34Å; W118-C121 PolarHBondContact O-N 3.46Å; W118-V122 HydrophobicContact CD2-CG2 4.19Å; W118-V122 HydrophobicContact CG-CG2 4.34Å; W118-V122 HydrophobicContact CZ2-CG2 3.94Å; W118-V122 WeakPolarHBondContact O-CB 3.27Å; W118-V122 WeakPolarHBondContact O-CG2 3.29Å; W118-V122 PolarHBondContact O-N 3.19Å; W118-S137 WeakPolarHBondContact CH2-O 3.33Å; W118-S138 VanDerWaalsContact CZ2-CA 3.46Å; W118-I141 HydrophobicContact CD2-CD1 4.02Å; W118-I141 HydrophobicContact CE3-CD1 3.3Å; W118-I141 HydrophobicContact CH2-CD1 3.31Å; W118-I141 HydrophobicContact CZ2-CD1 4.04Å; W118-I141 HydrophobicContact CZ3-CD1 2.92Å; W118-I141 HydrophobicContact CZ3-CG1 4.32Å
119	H	58.8	Low	58	Low	53 Å²	53	87.7 Å²	87.7	25%	0.245	43%	0.434	C	S	.	.	H	α-helix	trans	-65.2	-39.3	-176.8	-158.9	-75.3	0	0	0	111.3	F115 I116 V122 Q123	F115-H119 WeakPolarHBondContact O-CB 3.46Å; F115-H119 PolarHBondContact O-N 2.85Å; I116-H119 PolarHBondContact O-N 3.34Å; H119-V122 PolarHBondContact O-N 3.1Å; H119-Q123 PolarHBondContact ND1-OE1 3.12Å; H119-Q123 WeakPolarHBondContact O-CB 3.31Å; H119-Q123 PolarHBondContact O-N 2.85Å
120	V	63.4	Low	58.1	Low	86 Å²	86	85.1 Å²	85.1	52%	0.521	42%	0.42	S	S	.	.	H	α-helix	trans	-63.3	-45	173.3	173.5	0	0	0	0	110.5	I116 W118 Q123 E124	I116-V120 HydrophobicContact CG2-CG2 4.48Å; I116-V120 WeakPolarHBondContact O-CG2 3.28Å; I116-V120 PolarHBondContact O-N 2.76Å; W118-V120 VanDerWaalsContact C-N 3.35Å; W118-V120 PolarHBondContact O-N 3.48Å; V120-Q123 PolarHBondContact O-N 2.76Å; V120-E124 WeakPolarHBondContact O-CB 3.47Å; V120-E124 PolarHBondContact O-N 3.31Å
121	C	57	Low	57.6	Low	74 Å²	74	91.9 Å²	91.9	50%	0.5	44%	0.438	S	S	.	.	H	α-helix	trans	-62	-46	175.8	-80.1	0	0	0	0	112.3	V117 W118 E124 S125	V117-C121 WeakPolarHBondContact O-CB 3.36Å; V117-C121 PolarHBondContact O-N 2.77Å; V117-C121 PolarHBondContact O-SG 3.26Å; W118-C121 CarbonylContact O-C 3.59Å; W118-C121 WeakPolarHBondContact O-CB 3.34Å; W118-C121 PolarHBondContact O-N 3.46Å; C121-E124 PolarHBondContact O-N 2.83Å; C121-S125 VanDerWaalsContact O-CB 3.29Å; C121-S125 WeakPolarHBondContact O-CB 3.12Å; C121-S125 PolarHBondContact O-N 2.78Å
122	V	58.4	Low	56.8	Low	23 Å²	23	95 Å²	95	14%	0.139	45%	0.454	C	S	.	.	H	α-helix	trans	-66.8	-40.9	179.5	166.2	0	0	0	0	111	W118 H119 E124 S125 L126 S134	W118-V122 HydrophobicContact CD2-CG2 4.19Å; W118-V122 HydrophobicContact CG-CG2 4.34Å; W118-V122 HydrophobicContact CZ2-CG2 3.94Å; W118-V122 WeakPolarHBondContact O-CB 3.27Å; W118-V122 WeakPolarHBondContact O-CG2 3.29Å; W118-V122 PolarHBondContact O-N 3.19Å; H119-V122 PolarHBondContact O-N 3.1Å; V122-E124 VanDerWaalsContact C-N 3.33Å; V122-E124 PolarHBondContact O-N 2.77Å; V122-S125 CarbonylContact O-C 3.59Å; V122-S125 WeakPolarHBondContact O-CB 3.4Å; V122-S125 PolarHBondContact O-N 3.2Å; V122-S125 VanDerWaalsContact O-N 3.16Å; V122-L126 HydrophobicContact CG1-CD1 3.73Å; V122-L126 HydrophobicContact CG1-CG 4.1Å; V122-L126 WeakPolarHBondContact O-CB 3.04Å; V122-L126 VanDerWaalsContact O-CG 3.31Å; V122-L126 WeakPolarHBondContact O-CG 3.47Å; V122-L126 PolarHBondContact O-N 3.45Å; V122-S134 VanDerWaalsContact CG1-OG 3.32Å; V122-S134 WeakPolarHBondContact CG1-OG 3.35Å; V122-S134 WeakPolarHBondContact CG2-OG 3.43Å
123	Q	59.7	Low	56.4	Low	105 Å²	105	97.3 Å²	97.3	49%	0.491	46%	0.464	S	S	.	.	H	α-helix	trans	-65.1	-39.3	178.8	-173.4	169.5	-10.5	0	0	111.3	H119 V120 S125 L126 R127	H119-Q123 PolarHBondContact ND1-OE1 3.12Å; H119-Q123 WeakPolarHBondContact O-CB 3.31Å; H119-Q123 PolarHBondContact O-N 2.85Å; V120-Q123 PolarHBondContact O-N 2.76Å; Q123-S125 VanDerWaalsContact C-N 3.34Å; Q123-L126 PolarHBondContact O-N 2.89Å; Q123-R127 WeakPolarHBondContact O-CB 3.32Å; Q123-R127 PolarHBondContact O-N 3.32Å
124	E	56.6	Low	55.7	Low	117 Å²	117	90.2 Å²	90.2	55%	0.547	44%	0.44	S	S	.	.	H	α-helix	trans	-69.4	-35.1	173.4	-146.2	61.8	-165	0	0	111.6	V120 C121 V122 R127 S128	V120-E124 WeakPolarHBondContact O-CB 3.47Å; V120-E124 PolarHBondContact O-N 3.31Å; C121-E124 PolarHBondContact O-N 2.83Å; V122-E124 VanDerWaalsContact C-N 3.33Å; V122-E124 PolarHBondContact O-N 2.77Å; E124-R127 PolarHBondContact O-N 2.81Å; E124-S128 PolarHBondContact O-N 3.49Å
125	S	51.1	Low	55	Low	26 Å²	26	93 Å²	93	18%	0.182	45%	0.452	C	S	.	.	H	α-helix	trans	-68.3	-39.3	174.8	-149.2	0	0	0	0	112.7	C121 V122 Q123 S128 N129 Y130	C121-S125 VanDerWaalsContact O-CB 3.29Å; C121-S125 WeakPolarHBondContact O-CB 3.12Å; C121-S125 PolarHBondContact O-N 2.78Å; V122-S125 CarbonylContact O-C 3.59Å; V122-S125 WeakPolarHBondContact O-CB 3.4Å; V122-S125 PolarHBondContact O-N 3.2Å; V122-S125 VanDerWaalsContact O-N 3.16Å; Q123-S125 VanDerWaalsContact C-N 3.34Å; S125-S128 CarbonylContact O-C 3.52Å; S125-S128 PolarHBondContact O-N 3.4Å; S125-S128 VanDerWaalsContact O-N 3.15Å; S125-N129 PolarHBondContact O-N 3.5Å; S125-Y130 PolarHBondContact O-N 3.06Å; S125-Y130 VanDerWaalsContact O-N 3.11Å; S125-Y130 WeakPolarHBondContact OG-CB 3.13Å
126	L	44.1	Very low	54.4	Low	100 Å²	100	91.9 Å²	91.9	52%	0.524	46%	0.455	S	S	.	.	H	α-helix	trans	-67.1	-39	175.6	-79.8	168.9	0	0	0	111.2	V122 Q123 S128 N129	V122-L126 HydrophobicContact CG1-CD1 3.73Å; V122-L126 HydrophobicContact CG1-CG 4.1Å; V122-L126 WeakPolarHBondContact O-CB 3.04Å; V122-L126 VanDerWaalsContact O-CG 3.31Å; V122-L126 WeakPolarHBondContact O-CG 3.47Å; V122-L126 PolarHBondContact O-N 3.45Å; Q123-L126 PolarHBondContact O-N 2.89Å; L126-S128 PolarHBondContact O-N 3.47Å; L126-N129 PolarHBondContact O-N 3.37Å
127	R	51.9	Low	54	Low	208 Å²	208	89.8 Å²	89.8	79%	0.785	45%	0.447	S	S	*	.	H	α-helix	trans	-60.6	-25	173.3	-166.2	174.9	-170.2	172.7	1.6	112.2	Q123 E124	Q123-R127 WeakPolarHBondContact O-CB 3.32Å; Q123-R127 PolarHBondContact O-N 3.32Å; E124-R127 PolarHBondContact O-N 2.81Å
128	S	53	Low	53.5	Low	55 Å²	55	86.8 Å²	86.8	39%	0.385	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.6	26.7	-177.4	-158.3	0	0	0	0	113.2	E124 S125 L126 Y130	E124-S128 PolarHBondContact O-N 3.49Å; S125-S128 CarbonylContact O-C 3.52Å; S125-S128 PolarHBondContact O-N 3.4Å; S125-S128 VanDerWaalsContact O-N 3.15Å; L126-S128 PolarHBondContact O-N 3.47Å; S128-Y130 VanDerWaalsContact O-CD2 3.24Å; S128-Y130 WeakPolarHBondContact O-CD2 3.38Å; S128-Y130 WeakPolarHBondContact O-CE2 3.47Å; S128-Y130 PolarHBondContact O-N 2.98Å; S128-Y130 VanDerWaalsContact O-N 3.13Å; S128-Y130 WeakPolarHBondContact OG-CE2 3.3Å; S128-Y130 PolarHBondContact OG-OH 3.26Å
129	N	49.5	Very low	53.1	Low	134 Å²	134	87.9 Å²	87.9	72%	0.717	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.1	23.1	172.2	-91.1	-39.3	0	0	0	115.9	S125 L126 R131	S125-N129 PolarHBondContact O-N 3.5Å; L126-N129 PolarHBondContact O-N 3.37Å; N129-R131 VanDerWaalsContact C-N 3.35Å; N129-R131 PolarHBondContact O-N 3.33Å; N129-R131 VanDerWaalsContact O-N 3.12Å
130	Y	57.1	Low	53.1	Low	46 Å²	46	91 Å²	91	18%	0.18	46%	0.457	C	S	.	.			trans	-89.6	65.4	176.5	-55.9	-60.5	0	0	0	112.4	Y39 L43 S125 S128 L132	Y39-Y130 HydrophobicContact CD2-CE1 4.06Å; Y39-Y130 AromaticContact CE2-CD1 3.75Å; Y39-Y130 HydrophobicContact CE2-CD1 3.75Å; Y39-Y130 AromaticContact CE2-CE1 3.07Å; Y39-Y130 HydrophobicContact CE2-CE1 3.07Å; Y39-Y130 HydrophobicContact CE2-CE2 4.08Å; Y39-Y130 AromaticContact CE2-CZ 3.31Å; Y39-Y130 AromaticContact CZ-CE1 3.55Å; Y39-Y130 AromaticContact CZ-CE2 3.77Å; Y39-Y130 AromaticContact CZ-CZ 3.2Å; Y39-Y130 WeakPolarHBondContact OH-CE2 3.44Å; Y39-Y130 PolarHBondContact OH-OH 3.31Å; L43-Y130 WeakPolarHBondContact CD2-OH 3.4Å; S125-Y130 PolarHBondContact O-N 3.06Å; S125-Y130 VanDerWaalsContact O-N 3.11Å; S125-Y130 WeakPolarHBondContact OG-CB 3.13Å; S128-Y130 VanDerWaalsContact O-CD2 3.24Å; S128-Y130 WeakPolarHBondContact O-CD2 3.38Å; S128-Y130 WeakPolarHBondContact O-CE2 3.47Å; S128-Y130 PolarHBondContact O-N 2.98Å; S128-Y130 VanDerWaalsContact O-N 3.13Å; S128-Y130 WeakPolarHBondContact OG-CE2 3.3Å; S128-Y130 PolarHBondContact OG-OH 3.26Å; Y130-L132 VanDerWaalsContact C-N 3.33Å; Y130-L132 PolarHBondContact O-N 2.99Å
131	R	43.5	Very low	52.9	Low	197 Å²	197	88.6 Å²	88.6	74%	0.743	44%	0.441	S	S	*	.	H	α-helix	trans	-62.4	-37.1	179.2	-69.1	-171.2	-179.4	-156.9	0.5	112.9	N129 F135	N129-R131 VanDerWaalsContact C-N 3.35Å; N129-R131 PolarHBondContact O-N 3.33Å; N129-R131 VanDerWaalsContact O-N 3.12Å; R131-F135 WeakPolarHBondContact O-CB 3.29Å; R131-F135 PolarHBondContact O-N 3.41Å
132	L	44.7	Very low	52.6	Low	147 Å²	147	91.3 Å²	91.3	77%	0.77	44%	0.444	S	S	*	.	H	α-helix	trans	-75.9	-38.8	-174.1	-123.7	85.8	0	0	0	113.4	Y130 F135 C136	Y130-L132 VanDerWaalsContact C-N 3.33Å; Y130-L132 PolarHBondContact O-N 2.99Å; L132-F135 PolarHBondContact O-N 3.34Å; L132-C136 PolarHBondContact O-N 3.42Å
133	F	51	Low	52.5	Low	129 Å²	129	95.9 Å²	95.9	57%	0.566	46%	0.464	S	S	*	.	H	α-helix	trans	-76.9	-37.9	-173.1	-160.2	-94.4	0	0	0	112.2	F135 S137	F133-F135 VanDerWaalsContact C-N 3.28Å; F133-F135 PolarHBondContact O-N 3.43Å; F133-S137 WeakPolarHBondContact O-CB 3.47Å; F133-S137 PolarHBondContact O-N 2.87Å; F133-S137 VanDerWaalsContact O-N 3.1Å; F133-S137 PolarHBondContact O-OG 3.08Å
134	S	49.2	Very low	52.5	Low	19 Å²	19	95.1 Å²	95.1	13%	0.133	46%	0.458	C	S	.	.	H	α-helix	trans	-60.8	-39.5	171.8	175.2	0	0	0	0	111.2	V122 S138	V122-S134 VanDerWaalsContact CG1-OG 3.32Å; V122-S134 WeakPolarHBondContact CG1-OG 3.35Å; V122-S134 WeakPolarHBondContact CG2-OG 3.43Å; S134-S138 PolarHBondContact O-N 2.97Å; S134-S138 PolarHBondContact O-OG 2.84Å; S134-S138 VanDerWaalsContact O-OG 3.12Å
135	F	48.5	Very low	51.9	Low	127 Å²	127	92.4 Å²	92.4	56%	0.557	45%	0.446	S	S	*	.	H	α-helix	trans	-70.6	-45.2	-179.2	-167.8	-104	0	0	0	113.2	R131 L132 F133 S137 S138 L139	R131-F135 WeakPolarHBondContact O-CB 3.29Å; R131-F135 PolarHBondContact O-N 3.41Å; L132-F135 PolarHBondContact O-N 3.34Å; F133-F135 VanDerWaalsContact C-N 3.28Å; F133-F135 PolarHBondContact O-N 3.43Å; F135-S137 VanDerWaalsContact C-N 3.29Å; F135-S137 PolarHBondContact O-N 3.5Å; F135-S138 VanDerWaalsContact CA-OG 3.29Å; F135-S138 WeakPolarHBondContact CA-OG 3.16Å; F135-S138 PolarHBondContact O-N 3.34Å; F135-S138 PolarHBondContact O-OG 3.17Å; F135-L139 HydrophobicContact CD1-CD1 3.66Å; F135-L139 HydrophobicContact CD1-CG 4.32Å; F135-L139 HydrophobicContact CE1-CD1 3.37Å; F135-L139 HydrophobicContact CE1-CG 4.05Å; F135-L139 HydrophobicContact CZ-CD1 4.12Å; F135-L139 HydrophobicContact CZ-CG 4.37Å; F135-L139 PolarHBondContact O-N 3.46Å
136	C	50.6	Low	51.7	Low	67 Å²	67	96.7 Å²	96.7	45%	0.453	47%	0.467	S	S	.	.	H	α-helix	trans	-61.7	-40.4	175.6	-75.9	0	0	0	0	112	L132 L139 L140	L132-C136 PolarHBondContact O-N 3.42Å; C136-L139 PolarHBondContact O-N 3.37Å; C136-L140 PolarHBondContact O-N 2.79Å
137	S	59.6	Low	52.4	Low	32 Å²	32	100.7 Å²	100.7	22%	0.224	48%	0.481	C	S	.	.	H	α-helix	trans	-67.7	-39.7	179.4	-51.7	0	0	0	0	110.1	W118 F133 F135 L140 I141	W118-S137 WeakPolarHBondContact CH2-O 3.33Å; F133-S137 WeakPolarHBondContact O-CB 3.47Å; F133-S137 PolarHBondContact O-N 2.87Å; F133-S137 VanDerWaalsContact O-N 3.1Å; F133-S137 PolarHBondContact O-OG 3.08Å; F135-S137 VanDerWaalsContact C-N 3.29Å; F135-S137 PolarHBondContact O-N 3.5Å; S137-L140 PolarHBondContact O-N 3.32Å; S137-I141 PolarHBondContact O-N 3.39Å
138	S	54	Low	52.4	Low	21 Å²	21	96.4 Å²	96.4	15%	0.147	46%	0.464	C	S	.	.	H	α-helix	trans	-63.9	-41.4	174.7	47.6	0	0	0	0	111.6	W118 S134 F135 L140 I141 F142	W118-S138 VanDerWaalsContact CZ2-CA 3.46Å; S134-S138 PolarHBondContact O-N 2.97Å; S134-S138 PolarHBondContact O-OG 2.84Å; S134-S138 VanDerWaalsContact O-OG 3.12Å; F135-S138 VanDerWaalsContact CA-OG 3.29Å; F135-S138 WeakPolarHBondContact CA-OG 3.16Å; F135-S138 PolarHBondContact O-N 3.34Å; F135-S138 PolarHBondContact O-OG 3.17Å; S138-L140 PolarHBondContact O-N 3.04Å; S138-I141 PolarHBondContact O-N 2.88Å; S138-I141 VanDerWaalsContact O-N 3.17Å; S138-F142 WeakPolarHBondContact O-CD2 3.44Å; S138-F142 PolarHBondContact O-N 2.83Å
139	L	52.6	Low	52.1	Low	80 Å²	80	98.5 Å²	98.5	42%	0.419	47%	0.467	S	S	.	.	H	α-helix	trans	-62.4	-42.1	179.2	-84.1	171	0	0	0	112	F135 C136 I141 F142 Q143	F135-L139 HydrophobicContact CD1-CD1 3.66Å; F135-L139 HydrophobicContact CD1-CG 4.32Å; F135-L139 HydrophobicContact CE1-CD1 3.37Å; F135-L139 HydrophobicContact CE1-CG 4.05Å; F135-L139 HydrophobicContact CZ-CD1 4.12Å; F135-L139 HydrophobicContact CZ-CG 4.37Å; F135-L139 PolarHBondContact O-N 3.46Å; C136-L139 PolarHBondContact O-N 3.37Å; L139-I141 VanDerWaalsContact C-N 3.28Å; L139-I141 PolarHBondContact O-N 3.42Å; L139-F142 PolarHBondContact O-N 3.45Å; L139-Q143 WeakPolarHBondContact O-CB 3.48Å; L139-Q143 WeakPolarHBondContact O-CG 3.39Å; L139-Q143 PolarHBondContact O-N 2.83Å
140	L	59	Low	52.1	Low	117 Å²	117	96.3 Å²	96.3	61%	0.613	46%	0.46	S	S	*	.	H	α-helix	trans	-62.9	-36.6	175.9	-81.7	168.6	0	0	0	112.1	C136 S137 S138 Y144	C136-L140 PolarHBondContact O-N 2.79Å; S137-L140 PolarHBondContact O-N 3.32Å; S138-L140 PolarHBondContact O-N 3.04Å; L140-Y144 VanDerWaalsContact O-CB 3.28Å; L140-Y144 WeakPolarHBondContact O-CB 3.27Å; L140-Y144 PolarHBondContact O-N 2.9Å
141	I	60.4	Low	51.2	Low	36 Å²	36	101 Å²	101	19%	0.185	49%	0.488	C	S	.	.	H	α-helix	trans	-72.5	-40.6	176.1	-72	163.2	0	0	0	111.4	F114 W118 S137 S138 L139 Y144 L145	F114-I141 HydrophobicContact CE1-CD1 3.99Å; W118-I141 HydrophobicContact CD2-CD1 4.02Å; W118-I141 HydrophobicContact CE3-CD1 3.3Å; W118-I141 HydrophobicContact CH2-CD1 3.31Å; W118-I141 HydrophobicContact CZ2-CD1 4.04Å; W118-I141 HydrophobicContact CZ3-CD1 2.92Å; W118-I141 HydrophobicContact CZ3-CG1 4.32Å; S137-I141 PolarHBondContact O-N 3.39Å; S138-I141 PolarHBondContact O-N 2.88Å; S138-I141 VanDerWaalsContact O-N 3.17Å; L139-I141 VanDerWaalsContact C-N 3.28Å; L139-I141 PolarHBondContact O-N 3.42Å; I141-Y144 CarbonylContact O-C 3.38Å; I141-Y144 WeakPolarHBondContact O-CB 3.4Å; I141-Y144 PolarHBondContact O-N 3.11Å; I141-L145 HydrophobicContact CG2-CD1 3.78Å; I141-L145 HydrophobicContact CG2-CG 4.14Å; I141-L145 WeakPolarHBondContact O-CB 3.46Å; I141-L145 VanDerWaalsContact O-CG 3.3Å; I141-L145 WeakPolarHBondContact O-CG 3.22Å; I141-L145 PolarHBondContact O-N 3.35Å
142	F	50.2	Low	51	Low	131 Å²	131	99.9 Å²	99.9	58%	0.575	49%	0.488	S	S	*	.	H	α-helix	trans	-61.2	-48.2	174.1	-82.3	-68	0	0	0	110.6	S138 L139 Y144 L145 D146	S138-F142 WeakPolarHBondContact O-CD2 3.44Å; S138-F142 PolarHBondContact O-N 2.83Å; L139-F142 PolarHBondContact O-N 3.45Å; F142-Y144 PolarHBondContact O-N 3.33Å; F142-L145 PolarHBondContact O-N 3.3Å; F142-L145 VanDerWaalsContact O-N 3.12Å; F142-D146 WeakPolarHBondContact O-CB 3.4Å; F142-D146 PolarHBondContact O-N 3.28Å
143	Q	56.5	Low	50.7	Low	120 Å²	120	102 Å²	102	56%	0.561	49%	0.494	S	S	*	.	H	α-helix	trans	-58.9	-35.9	174.3	-76.9	-171.2	-8.7	0	0	112.7	L139 K147	L139-Q143 WeakPolarHBondContact O-CB 3.48Å; L139-Q143 WeakPolarHBondContact O-CG 3.39Å; L139-Q143 PolarHBondContact O-N 2.83Å; Q143-K147 WeakPolarHBondContact O-CB 3.28Å; Q143-K147 VanDerWaalsContact O-CG 3.32Å; Q143-K147 WeakPolarHBondContact O-CG 3.34Å; Q143-K147 PolarHBondContact O-N 2.65Å; Q143-K147 VanDerWaalsContact O-N 3.1Å
144	Y	60.2	Low	50.2	Low	89 Å²	89	101.1 Å²	101.1	35%	0.349	50%	0.495	S	S	.	.	H	α-helix	trans	-69.4	-41.9	175.4	176.3	-99.4	0	0	0	112.5	L140 I141 F142 R148	L140-Y144 VanDerWaalsContact O-CB 3.28Å; L140-Y144 WeakPolarHBondContact O-CB 3.27Å; L140-Y144 PolarHBondContact O-N 2.9Å; I141-Y144 CarbonylContact O-C 3.38Å; I141-Y144 WeakPolarHBondContact O-CB 3.4Å; I141-Y144 PolarHBondContact O-N 3.11Å; F142-Y144 PolarHBondContact O-N 3.33Å; Y144-R148 VanDerWaalsContact O-CB 3.29Å; Y144-R148 WeakPolarHBondContact O-CB 3.4Å; Y144-R148 PolarHBondContact O-N 3.45Å; Y144-R148 VanDerWaalsContact OH-CZ 3.25Å; Y144-R148 PolarHBondContact OH-NH1 3.03Å
145	L	43	Very low	49.9	Very low	59 Å²	59	104.2 Å²	104.2	31%	0.309	51%	0.513	S	S	.	.	H	α-helix	trans	-69.3	-41.6	178	-72.9	173.2	0	0	0	111.2	I141 F142 R148 F149	I141-L145 HydrophobicContact CG2-CD1 3.78Å; I141-L145 HydrophobicContact CG2-CG 4.14Å; I141-L145 WeakPolarHBondContact O-CB 3.46Å; I141-L145 VanDerWaalsContact O-CG 3.3Å; I141-L145 WeakPolarHBondContact O-CG 3.22Å; I141-L145 PolarHBondContact O-N 3.35Å; F142-L145 PolarHBondContact O-N 3.3Å; F142-L145 VanDerWaalsContact O-N 3.12Å; L145-R148 CarbonylContact O-C 3.49Å; L145-R148 WeakPolarHBondContact O-CA 3.31Å; L145-R148 PolarHBondContact O-N 2.93Å; L145-F149 HydrophobicContact CD2-CD2 4.25Å; L145-F149 HydrophobicContact CD2-CE2 3.95Å; L145-F149 WeakPolarHBondContact O-CD2 3.24Å; L145-F149 PolarHBondContact O-N 3.31Å
146	D	46.9	Very low	49.9	Very low	117 Å²	117	104.6 Å²	104.6	63%	0.626	52%	0.517	S	S	*	.	H	α-helix	trans	-62.7	-46.7	179.3	-164.7	40.2	0	0	0	110.8	F142 R148 F149	F142-D146 WeakPolarHBondContact O-CB 3.4Å; F142-D146 PolarHBondContact O-N 3.28Å; D146-R148 PolarHBondContact O-N 3.5Å; D146-R148 VanDerWaalsContact O-N 3.08Å; D146-F149 PolarHBondContact O-N 2.75Å
147	K	58.1	Low	49.6	Very low	184 Å²	184	109.1 Å²	109.1	80%	0.8	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-22.1	170.6	-78.7	-177.1	178.8	-177.4	0	114.1	Q143	Q143-K147 WeakPolarHBondContact O-CB 3.28Å; Q143-K147 VanDerWaalsContact O-CG 3.32Å; Q143-K147 WeakPolarHBondContact O-CG 3.34Å; Q143-K147 PolarHBondContact O-N 2.65Å; Q143-K147 VanDerWaalsContact O-N 3.1Å
148	R	53.3	Low	48.9	Very low	118 Å²	118	112.6 Å²	112.6	45%	0.445	54%	0.544	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-18.6	-172.2	-154.9	167.1	-159.4	-157.7	7.1	113.5	Y144 L145 D146	Y144-R148 VanDerWaalsContact O-CB 3.29Å; Y144-R148 WeakPolarHBondContact O-CB 3.4Å; Y144-R148 PolarHBondContact O-N 3.45Å; Y144-R148 VanDerWaalsContact OH-CZ 3.25Å; Y144-R148 PolarHBondContact OH-NH1 3.03Å; L145-R148 CarbonylContact O-C 3.49Å; L145-R148 WeakPolarHBondContact O-CA 3.31Å; L145-R148 PolarHBondContact O-N 2.93Å; D146-R148 PolarHBondContact O-N 3.5Å; D146-R148 VanDerWaalsContact O-N 3.08Å
149	F	46.3	Very low	48.4	Very low	98 Å²	98	113.6 Å²	113.6	43%	0.43	55%	0.553	S	S	.	*			trans	-140.3	64.5	-179	-55.8	-73.3	0	0	0	111.1	L145 D146 D151	L145-F149 HydrophobicContact CD2-CD2 4.25Å; L145-F149 HydrophobicContact CD2-CE2 3.95Å; L145-F149 WeakPolarHBondContact O-CD2 3.24Å; L145-F149 PolarHBondContact O-N 3.31Å; D146-F149 PolarHBondContact O-N 2.75Å; F149-D151 PolarHBondContact O-N 3.14Å; F149-D151 VanDerWaalsContact O-N 3.12Å
150	P	49.1	Very low	48	Very low	88 Å²	88	115.2 Å²	115.2	57%	0.571	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.6	-16.2	-175.3	23.7	-32	0	0	0	114.5
151	D	39.2	Very low	47.5	Very low	144 Å²	144	113.8 Å²	113.8	77%	0.77	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108	22.8	-158.7	-48	-41.2	0	0	0	115.2	F149	F149-D151 PolarHBondContact O-N 3.14Å; F149-D151 VanDerWaalsContact O-N 3.12Å
152	K	38.7	Very low	46.9	Very low	174 Å²	174	117.6 Å²	117.6	76%	0.757	57%	0.57	S	S	*	*			trans	-129.4	96.1	168.8	-66.4	-168.5	179.9	-166.2	0	108.9	L154	K152-L154 PolarHBondContact O-N 3.5Å
153	E	37.8	Very low	46.8	Very low	192 Å²	192	115.9 Å²	115.9	90%	0.897	56%	0.563	S	S	*	*			trans	-56.9	81.5	160.5	-67.1	-175.7	164	0	0	108.3	T155	E153-T155 PolarHBondContact O-N 2.91Å
154	L	40	Very low	46.1	Very low	110 Å²	110	116.8 Å²	116.8	58%	0.576	57%	0.565	S	S	*	*			trans	-80.2	97.1	167.1	-151.1	79.6	0	0	0	104.6	K152 E156 A159	K152-L154 PolarHBondContact O-N 3.5Å; L154-E156 PolarHBondContact O-N 3.46Å; L154-A159 HydrophobicContact CD2-CB 4.1Å
155	T	44.4	Very low	45.7	Very low	84 Å²	84	117.9 Å²	117.9	52%	0.515	58%	0.577	S	S	.	*			trans	-52.4	132.1	178.2	22.2	0	0	0	0	109.3	E153 E157 E158 A159	E153-T155 PolarHBondContact O-N 2.91Å; T155-E157 PolarHBondContact O-N 2.92Å; T155-E158 PolarHBondContact O-N 3.49Å; T155-A159 PolarHBondContact O-N 3.43Å
156	E	47.2	Very low	46.1	Very low	135 Å²	135	123 Å²	123	63%	0.631	59%	0.592	S	S	*	*	H	α-helix	trans	-51.4	-30.9	-171.6	-169.4	-175	157.7	0	0	112.9	L154 K160	L154-E156 PolarHBondContact O-N 3.46Å; E156-K160 WeakPolarHBondContact O-CG 3.34Å; E156-K160 PolarHBondContact O-N 3.28Å; E156-K160 VanDerWaalsContact O-N 3.11Å; E156-K160 VanDerWaalsContact OE1-CE 3.24Å; E156-K160 WeakPolarHBondContact OE1-CE 3.3Å; E156-K160 IonicContact OE1-NZ 2.65Å; E156-K160 PolarHBondContact OE1-NZ 3Å
157	E	46.1	Very low	46	Very low	162 Å²	162	119.3 Å²	119.3	76%	0.757	57%	0.574	S	S	*	*	H	α-helix	trans	-69.6	-40	177.3	-62.1	-135.8	147.9	0	0	113.6	T155 A159 K160 T161	T155-E157 PolarHBondContact O-N 2.92Å; E157-A159 VanDerWaalsContact C-N 3.35Å; E157-K160 PolarHBondContact O-N 3.42Å; E157-T161 PolarHBondContact O-N 3.27Å; E157-T161 PolarHBondContact O-OG1 2.89Å
158	E	44.1	Very low	45.4	Very low	105 Å²	105	115.3 Å²	115.3	49%	0.491	56%	0.561	S	S	.	*	H	α-helix	trans	-68.2	-38	176.3	-69	-168.1	160	0	0	111	T155 K160 T161 Q162	T155-E158 PolarHBondContact O-N 3.49Å; E158-K160 PolarHBondContact O-N 2.92Å; E158-T161 WeakPolarHBondContact CA-OG1 3.45Å; E158-T161 PolarHBondContact O-OG1 3.46Å; E158-Q162 WeakPolarHBondContact O-CB 3.48Å; E158-Q162 PolarHBondContact O-N 3.37Å
159	A	43.7	Very low	45.7	Very low	42 Å²	42	112.2 Å²	112.2	35%	0.347	56%	0.561	S	S	.	*	H	α-helix	trans	-62.5	-43.3	176	0	0	0	0	0	111.2	L154 T155 E157 F163	L154-A159 HydrophobicContact CD2-CB 4.1Å; T155-A159 PolarHBondContact O-N 3.43Å; E157-A159 VanDerWaalsContact C-N 3.35Å; A159-F163 WeakPolarHBondContact O-CB 3.02Å; A159-F163 PolarHBondContact O-N 3.45Å
160	K	43.9	Very low	46.3	Very low	115 Å²	115	112.1 Å²	112.1	50%	0.5	56%	0.562	S	S	.	*	H	α-helix	trans	-66.5	-44.9	179	-76.2	173.5	-174.9	166.4	0	112.3	E156 E157 E158 F163 F164	E156-K160 WeakPolarHBondContact O-CG 3.34Å; E156-K160 PolarHBondContact O-N 3.28Å; E156-K160 VanDerWaalsContact O-N 3.11Å; E156-K160 VanDerWaalsContact OE1-CE 3.24Å; E156-K160 WeakPolarHBondContact OE1-CE 3.3Å; E156-K160 IonicContact OE1-NZ 2.65Å; E156-K160 PolarHBondContact OE1-NZ 3Å; E157-K160 PolarHBondContact O-N 3.42Å; E158-K160 PolarHBondContact O-N 2.92Å; K160-F163 PolarHBondContact O-N 3.2Å; K160-F164 WeakPolarHBondContact O-CB 3.43Å; K160-F164 PolarHBondContact O-N 3.33Å
161	T	48	Very low	46.1	Very low	87 Å²	87	111.8 Å²	111.8	53%	0.534	56%	0.558	S	S	.	*	H	α-helix	trans	-68	-48.2	-179	32.8	0	0	0	0	111.9	E157 E158 F163 F164 D165	E157-T161 PolarHBondContact O-N 3.27Å; E157-T161 PolarHBondContact O-OG1 2.89Å; E158-T161 WeakPolarHBondContact CA-OG1 3.45Å; E158-T161 PolarHBondContact O-OG1 3.46Å; T161-F163 VanDerWaalsContact C-N 3.27Å; T161-F163 PolarHBondContact O-N 3.5Å; T161-F164 PolarHBondContact O-N 3.35Å; T161-D165 PolarHBondContact O-N 3.36Å
162	Q	47.9	Very low	46.7	Very low	115 Å²	115	113.5 Å²	113.5	54%	0.537	55%	0.553	S	S	.	*	H	α-helix	trans	-62.6	-35.1	176	-77.2	-165.5	5.7	0	0	112.7	E158 R166	E158-Q162 WeakPolarHBondContact O-CB 3.48Å; E158-Q162 PolarHBondContact O-N 3.37Å; Q162-R166 WeakPolarHBondContact O-CG 3.41Å; Q162-R166 PolarHBondContact O-N 3.12Å
163	F	49.2	Very low	48.1	Very low	96 Å²	96	112.6 Å²	112.6	42%	0.421	55%	0.549	S	S	.	.	H	α-helix	trans	-68.1	-44.7	177.1	179.7	-96.7	0	0	0	112.4	F115 A159 K160 T161 T167	F115-F163 HydrophobicContact CE1-CE2 4.16Å; F115-F163 HydrophobicContact CZ-CD2 4.35Å; F115-F163 AromaticContact CZ-CE2 3.92Å; F115-F163 HydrophobicContact CZ-CE2 3.92Å; A159-F163 WeakPolarHBondContact O-CB 3.02Å; A159-F163 PolarHBondContact O-N 3.45Å; K160-F163 PolarHBondContact O-N 3.2Å; T161-F163 VanDerWaalsContact C-N 3.27Å; T161-F163 PolarHBondContact O-N 3.5Å; F163-T167 WeakPolarHBondContact O-CB 3.46Å; F163-T167 PolarHBondContact O-N 2.99Å; F163-T167 VanDerWaalsContact O-N 3.14Å; F163-T167 PolarHBondContact O-OG1 3.02Å
164	F	41.2	Very low	48.7	Very low	138 Å²	138	108.8 Å²	108.8	61%	0.605	54%	0.535	S	S	*	.	H	α-helix	trans	-65.9	-42.9	179.6	-107.5	-87.3	0	0	0	111.8	K160 T161 R166 T167 L168	K160-F164 WeakPolarHBondContact O-CB 3.43Å; K160-F164 PolarHBondContact O-N 3.33Å; T161-F164 PolarHBondContact O-N 3.35Å; F164-R166 PolarHBondContact O-N 3.31Å; F164-T167 PolarHBondContact O-N 3Å; F164-L168 HydrophobicContact CD1-CD1 4.41Å; F164-L168 WeakPolarHBondContact O-CB 3.42Å; F164-L168 WeakPolarHBondContact O-CG 3.48Å; F164-L168 PolarHBondContact O-N 2.91Å
165	D	51.6	Low	49.1	Very low	113 Å²	113	112.3 Å²	112.3	60%	0.604	54%	0.54	S	S	*	.	H	α-helix	trans	-66.3	-40.5	-178.6	-82.4	-17	0	0	0	112.6	T161 L168 A169	T161-D165 PolarHBondContact O-N 3.36Å; D165-L168 PolarHBondContact O-N 3.42Å; D165-A169 WeakPolarHBondContact O-CB 3.41Å; D165-A169 PolarHBondContact O-N 3.01Å
166	R	50.8	Low	49.8	Very low	166 Å²	166	113.6 Å²	113.6	63%	0.626	54%	0.541	S	S	*	.	H	α-helix	trans	-69.6	-39.6	178.3	-72.7	-173.7	-176.6	-166.9	4.4	112.2	Q162 F164 A169 Q170	Q162-R166 WeakPolarHBondContact O-CG 3.41Å; Q162-R166 PolarHBondContact O-N 3.12Å; F164-R166 PolarHBondContact O-N 3.31Å; R166-A169 PolarHBondContact O-N 3.49Å; R166-Q170 PolarHBondContact O-N 2.72Å
167	T	45.7	Very low	50.1	Low	39 Å²	39	109.3 Å²	109.3	24%	0.239	53%	0.532	C	S	.	.	H	α-helix	trans	-64.4	-45.2	176.3	-51.2	0	0	0	0	110.6	F163 F164 A169 Q170 V171	F163-T167 WeakPolarHBondContact O-CB 3.46Å; F163-T167 PolarHBondContact O-N 2.99Å; F163-T167 VanDerWaalsContact O-N 3.14Å; F163-T167 PolarHBondContact O-OG1 3.02Å; F164-T167 PolarHBondContact O-N 3Å; T167-A169 PolarHBondContact O-N 3.29Å; T167-Q170 PolarHBondContact O-N 2.97Å; T167-V171 HydrophobicContact CG2-CG2 4.47Å; T167-V171 VanDerWaalsContact O-CG2 3.3Å; T167-V171 WeakPolarHBondContact O-CG2 3.47Å; T167-V171 PolarHBondContact O-N 3Å
168	L	45.3	Very low	50.4	Low	101 Å²	101	109 Å²	109	53%	0.529	53%	0.528	S	S	.	.	H	α-helix	trans	-63.1	-39.8	176.2	-77.4	172	0	0	0	112.2	F164 D165 V171 R172	F164-L168 HydrophobicContact CD1-CD1 4.41Å; F164-L168 WeakPolarHBondContact O-CB 3.42Å; F164-L168 WeakPolarHBondContact O-CG 3.48Å; F164-L168 PolarHBondContact O-N 2.91Å; D165-L168 PolarHBondContact O-N 3.42Å; L168-V171 PolarHBondContact O-N 2.95Å; L168-R172 VanDerWaalsContact O-CB 3.3Å; L168-R172 WeakPolarHBondContact O-CB 3.37Å; L168-R172 PolarHBondContact O-N 3.32Å
169	A	60	Low	50.6	Low	53 Å²	53	108.4 Å²	108.4	44%	0.438	53%	0.529	S	S	.	.	H	α-helix	trans	-63.4	-40.9	175.6	0	0	0	0	0	112.3	D165 R166 T167 R172 K173	D165-A169 WeakPolarHBondContact O-CB 3.41Å; D165-A169 PolarHBondContact O-N 3.01Å; R166-A169 PolarHBondContact O-N 3.49Å; T167-A169 PolarHBondContact O-N 3.29Å; A169-R172 PolarHBondContact O-N 3.34Å; A169-K173 WeakPolarHBondContact O-CG 3.45Å; A169-K173 PolarHBondContact O-N 2.66Å
170	Q	57.7	Low	51.2	Low	96 Å²	96	110.8 Å²	110.8	45%	0.449	54%	0.539	S	S	.	.	H	α-helix	trans	-69.1	-42.4	176.7	-75.5	-172.6	-9.9	0	0	112.3	R166 T167 R172 K173 L174	R166-Q170 PolarHBondContact O-N 2.72Å; T167-Q170 PolarHBondContact O-N 2.97Å; Q170-R172 VanDerWaalsContact C-N 3.29Å; Q170-R172 PolarHBondContact O-N 3.21Å; Q170-K173 PolarHBondContact O-N 3.47Å; Q170-L174 WeakPolarHBondContact O-CG 3.31Å; Q170-L174 PolarHBondContact O-N 3.24Å
171	V	45.6	Very low	51.6	Low	81 Å²	81	112.2 Å²	112.2	49%	0.491	55%	0.545	S	S	.	.	H	α-helix	trans	-63.6	-37.9	176.3	173	0	0	0	0	110.8	T167 L168 L174 R175	T167-V171 HydrophobicContact CG2-CG2 4.47Å; T167-V171 VanDerWaalsContact O-CG2 3.3Å; T167-V171 WeakPolarHBondContact O-CG2 3.47Å; T167-V171 PolarHBondContact O-N 3Å; L168-V171 PolarHBondContact O-N 2.95Å; V171-L174 PolarHBondContact O-N 2.92Å; V171-R175 WeakPolarHBondContact O-CB 3.42Å; V171-R175 PolarHBondContact O-N 3.43Å
172	R	52.8	Low	51.8	Low	179 Å²	179	114.1 Å²	114.1	68%	0.675	55%	0.548	S	S	*	.	H	α-helix	trans	-64.8	-44.6	175.8	-162.1	-179	-81.1	179.5	-4.3	111.3	L168 A169 Q170 L174 R175 E176	L168-R172 VanDerWaalsContact O-CB 3.3Å; L168-R172 WeakPolarHBondContact O-CB 3.37Å; L168-R172 PolarHBondContact O-N 3.32Å; A169-R172 PolarHBondContact O-N 3.34Å; Q170-R172 VanDerWaalsContact C-N 3.29Å; Q170-R172 PolarHBondContact O-N 3.21Å; R172-L174 VanDerWaalsContact C-N 3.33Å; R172-L174 PolarHBondContact O-N 3Å; R172-R175 PolarHBondContact O-N 3.11Å; R172-E176 WeakPolarHBondContact O-CB 3.47Å; R172-E176 WeakPolarHBondContact O-CG 3.37Å; R172-E176 PolarHBondContact O-N 3.12Å
173	K	67.4	Low	51.9	Low	155 Å²	155	114.2 Å²	114.2	67%	0.674	55%	0.551	S	S	*	*	H	α-helix	trans	-59.6	-39.7	173.2	-75.7	-176.5	179.2	-175.3	0	113.1	A169 Q170 G177	A169-K173 WeakPolarHBondContact O-CG 3.45Å; A169-K173 PolarHBondContact O-N 2.66Å; Q170-K173 PolarHBondContact O-N 3.47Å; K173-G177 PolarHBondContact O-N 3.27Å
174	L	51	Low	52.3	Low	113 Å²	113	112.6 Å²	112.6	59%	0.592	55%	0.552	S	S	*	*	H	α-helix	trans	-70.2	-36.2	177.3	-71.8	173.7	0	0	0	112.5	Q170 V171 R172 K178	Q170-L174 WeakPolarHBondContact O-CG 3.31Å; Q170-L174 PolarHBondContact O-N 3.24Å; V171-L174 PolarHBondContact O-N 2.92Å; R172-L174 VanDerWaalsContact C-N 3.33Å; R172-L174 PolarHBondContact O-N 3Å; L174-K178 WeakPolarHBondContact O-CB 3.32Å; L174-K178 PolarHBondContact O-N 3.37Å
175	R	48	Very low	53.1	Low	183 Å²	183	113.9 Å²	113.9	69%	0.691	55%	0.553	S	S	*	*	H	α-helix	trans	-68.9	-42.8	175.5	-175.6	178.9	-87.6	-160.3	-4	111	V171 R172 K178 N179	V171-R175 WeakPolarHBondContact O-CB 3.42Å; V171-R175 PolarHBondContact O-N 3.43Å; R172-R175 PolarHBondContact O-N 3.11Å; R175-K178 PolarHBondContact O-N 3.46Å; R175-N179 WeakPolarHBondContact O-CB 3.3Å; R175-N179 VanDerWaalsContact O-CG 3.23Å; R175-N179 PolarHBondContact O-N 3.3Å
176	E	59.1	Low	53.4	Low	112 Å²	112	113.2 Å²	113.2	52%	0.523	55%	0.549	S	S	.	.	H	α-helix	trans	-62.6	-46.3	174.5	-72.9	170	-169.5	0	0	110.9	R172 K178 N179 V180	R172-E176 WeakPolarHBondContact O-CB 3.47Å; R172-E176 WeakPolarHBondContact O-CG 3.37Å; R172-E176 PolarHBondContact O-N 3.12Å; E176-K178 PolarHBondContact O-N 3.32Å; E176-N179 PolarHBondContact O-N 3.08Å; E176-V180 VanDerWaalsContact O-CG2 3.22Å; E176-V180 WeakPolarHBondContact O-CG2 3.45Å; E176-V180 PolarHBondContact O-N 3.39Å
177	G	52.5	Low	53.6	Low	44 Å²	44	107.9 Å²	107.9	45%	0.454	54%	0.54	S	S	.	.	H	α-helix	trans	-61.3	-41.2	177.1	0	0	0	0	0	113.9	K173 V180 F181	K173-G177 PolarHBondContact O-N 3.27Å; G177-V180 PolarHBondContact O-N 3.29Å; G177-F181 PolarHBondContact O-N 3.17Å
178	K	52.6	Low	54.3	Low	156 Å²	156	113.5 Å²	113.5	68%	0.678	56%	0.564	S	S	*	*	H	α-helix	trans	-68.2	-38.6	176.1	-82.3	-176.3	176	-179.6	0	112.8	L174 R175 E176 F181 H182	L174-K178 WeakPolarHBondContact O-CB 3.32Å; L174-K178 PolarHBondContact O-N 3.37Å; R175-K178 PolarHBondContact O-N 3.46Å; E176-K178 PolarHBondContact O-N 3.32Å; K178-F181 PolarHBondContact O-N 3.18Å; K178-H182 PolarHBondContact O-N 3.12Å
179	N	48.7	Very low	54.9	Low	93 Å²	93	115.9 Å²	115.9	50%	0.497	57%	0.572	S	S	.	*	H	α-helix	trans	-67.6	-39.2	176.8	-72.4	-8.5	0	0	0	111.3	R175 E176 F181 H182 L183	R175-N179 WeakPolarHBondContact O-CB 3.3Å; R175-N179 VanDerWaalsContact O-CG 3.23Å; R175-N179 PolarHBondContact O-N 3.3Å; E176-N179 PolarHBondContact O-N 3.08Å; N179-F181 VanDerWaalsContact C-N 3.34Å; N179-F181 PolarHBondContact O-N 2.96Å; N179-H182 PolarHBondContact O-N 3.06Å; N179-L183 WeakPolarHBondContact O-CG 3.39Å; N179-L183 PolarHBondContact O-N 2.76Å
180	V	55.8	Low	54.9	Low	91 Å²	91	118.2 Å²	118.2	55%	0.552	58%	0.581	S	S	*	*	H	α-helix	trans	-62.2	-42.6	173.5	173.4	0	0	0	0	110.7	E176 G177 H182 L183 S184	E176-V180 VanDerWaalsContact O-CG2 3.22Å; E176-V180 WeakPolarHBondContact O-CG2 3.45Å; E176-V180 PolarHBondContact O-N 3.39Å; G177-V180 PolarHBondContact O-N 3.29Å; V180-H182 PolarHBondContact O-N 2.9Å; V180-L183 PolarHBondContact O-N 3.27Å; V180-S184 WeakPolarHBondContact O-CB 3.49Å; V180-S184 PolarHBondContact O-N 3.22Å; V180-S184 PolarHBondContact O-OG 3.32Å
181	F	53.2	Low	54.7	Low	145 Å²	145	120.8 Å²	120.8	64%	0.636	60%	0.598	S	S	*	*	H	α-helix	trans	-65.1	-39	178.6	-155.3	-91.8	0	0	0	112.6	G177 K178 N179 R185	G177-F181 PolarHBondContact O-N 3.17Å; K178-F181 PolarHBondContact O-N 3.18Å; N179-F181 VanDerWaalsContact C-N 3.34Å; N179-F181 PolarHBondContact O-N 2.96Å; F181-R185 PolarHBondContact O-N 3.25Å
182	H	51.4	Low	55	Low	128 Å²	128	120.4 Å²	120.4	59%	0.593	61%	0.61	S	S	*	*	H	α-helix	trans	-67.8	-40.6	175.6	-102.5	-77.6	0	0	0	112.7	K178 N179 V180 R185 L186	K178-H182 PolarHBondContact O-N 3.12Å; N179-H182 PolarHBondContact O-N 3.06Å; V180-H182 PolarHBondContact O-N 2.9Å; H182-R185 PolarHBondContact O-N 3.01Å; H182-L186 WeakPolarHBondContact O-CG 3.22Å; H182-L186 PolarHBondContact O-N 3.28Å; H182-L186 VanDerWaalsContact O-N 3.12Å
183	L	51.2	Low	54.8	Low	117 Å²	117	118.3 Å²	118.3	61%	0.613	64%	0.644	S	S	*	*	H	α-helix	trans	-66.3	-39.1	176.8	-75.7	167	0	0	0	112.1	N179 V180 R185 L186 A187	N179-L183 WeakPolarHBondContact O-CG 3.39Å; N179-L183 PolarHBondContact O-N 2.76Å; V180-L183 PolarHBondContact O-N 3.27Å; L183-R185 PolarHBondContact O-N 2.92Å; L183-L186 PolarHBondContact O-N 3.39Å; L183-A187 PolarHBondContact O-N 3.49Å
184	S	56.8	Low	54.2	Low	62 Å²	62	116.5 Å²	116.5	43%	0.434	64%	0.643	S	S	.	*	H	α-helix	trans	-59.1	-39.3	175.4	-50.2	0	0	0	0	111.6	V180 Q188	V180-S184 WeakPolarHBondContact O-CB 3.49Å; V180-S184 PolarHBondContact O-N 3.22Å; V180-S184 PolarHBondContact O-OG 3.32Å; S184-Q188 PolarHBondContact O-N 3.05Å
185	R	56.9	Low	54.3	Low	164 Å²	164	116.6 Å²	116.6	62%	0.619	65%	0.645	S	S	*	*	H	α-helix	trans	-73.9	-36.1	-178.4	-150.9	177	-161.7	174.6	4.1	112.5	F181 H182 L183 Q189	F181-R185 PolarHBondContact O-N 3.25Å; H182-R185 PolarHBondContact O-N 3.01Å; L183-R185 PolarHBondContact O-N 2.92Å; R185-Q189 PolarHBondContact O-N 3.36Å
186	L	58.3	Low	54.7	Low	100 Å²	100	112.9 Å²	112.9	52%	0.524	64%	0.643	S	S	.	*	H	α-helix	trans	-68.1	-38.8	174.1	-69.5	173	0	0	0	111.4	H182 L183 Q188 Q189 T190	H182-L186 WeakPolarHBondContact O-CG 3.22Å; H182-L186 PolarHBondContact O-N 3.28Å; H182-L186 VanDerWaalsContact O-N 3.12Å; L183-L186 PolarHBondContact O-N 3.39Å; L186-Q188 VanDerWaalsContact C-N 3.33Å; L186-Q188 PolarHBondContact O-N 3.04Å; L186-Q189 PolarHBondContact O-N 3.49Å; L186-T190 PolarHBondContact O-N 2.89Å
187	A	55.6	Low	54.4	Low	54 Å²	54	113 Å²	113	45%	0.446	65%	0.65	S	S	.	*	H	α-helix	trans	-66.7	-30.9	177	0	0	0	0	0	113.5	L183 T190	L183-A187 PolarHBondContact O-N 3.49Å; A187-T190 PolarHBondContact O-OG1 3.38Å; A187-T190 VanDerWaalsContact O-OG1 3.11Å
188	Q	59.6	Low	54.5	Low	157 Å²	157	117.3 Å²	117.3	73%	0.734	66%	0.662	S	S	*	*	H	α-helix	trans	-73.7	-29.2	175.2	-78.7	-175.7	-23.4	0	0	113.1	S184 L186 T190	S184-Q188 PolarHBondContact O-N 3.05Å; L186-Q188 VanDerWaalsContact C-N 3.33Å; L186-Q188 PolarHBondContact O-N 3.04Å; Q188-T190 VanDerWaalsContact C-N 3.35Å
189	Q	58.3	Low	54.7	Low	151 Å²	151	114.7 Å²	114.7	71%	0.706	66%	0.661	S	S	*	*	H	α-helix	trans	-73.6	-25.8	177.8	-80.3	-173.9	-41.9	0	0	113.1	R185 L186	R185-Q189 PolarHBondContact O-N 3.36Å; L186-Q189 PolarHBondContact O-N 3.49Å
190	T	60	Low	55.1	Low	102 Å²	102	116.3 Å²	116.3	63%	0.626	67%	0.673	S	S	*	*	H	α-helix	trans	-82.5	-16.6	-177.9	55.6	0	0	0	0	114.3	L186 A187 Q188	L186-T190 PolarHBondContact O-N 2.89Å; A187-T190 PolarHBondContact O-OG1 3.38Å; A187-T190 VanDerWaalsContact O-OG1 3.11Å; Q188-T190 VanDerWaalsContact C-N 3.35Å
191	N	54.3	Low	55	Low	149 Å²	149	118.2 Å²	118.2	80%	0.797	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.1	8.5	-179.9	-78.9	-25.1	0	0	0	113.8
192	G	51.2	Low	55.2	Low	73 Å²	73	116 Å²	116	75%	0.753	69%	0.686	S	S	*	*			trans	-113.8	11.3	-175.6	0	0	0	0	0	116
193	G	48.6	Very low	55.5	Low	135 Å²	135	114.9 Å²	114.9	100%	1.392	70%	0.695	S	S	*	*			trans	-132.5	0	176.5	0	0	0	0	0	110.9

Retrieved 193 of 193 residues in 226.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).