A0A077Z7N1_TRITR Loading...

NADH-ubiquinone oxidoreductase chain 3

AlphaFold DB , UniProt , Accession A0A077Z7N1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 223 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	34.9	Very low	40.3	Very low	237 Å²	237	139.9 Å²	139.9	100%	1.167	77%	0.771	S	S	*	*				0	109.6	0	-74.3	170.8	164.8	0	0	106.9
2	P	42.1	Very low	40.3	Very low	118 Å²	118	139.8 Å²	139.8	77%	0.766	76%	0.76	S	S	*	*			trans	-70.8	131.7	169.3	29	-28.3	0	0	0	108.4
3	A	37.1	Very low	40.6	Very low	97 Å²	97	136.2 Å²	136.2	80%	0.802	75%	0.746	S	S	*	*			trans	-66.5	129	174.7	0	0	0	0	0	108.9
4	V	42.1	Very low	40.7	Very low	126 Å²	126	133.6 Å²	133.6	76%	0.764	74%	0.737	S	S	*	*			trans	-96.7	101.3	172.6	178.1	0	0	0	0	106.5	T6	V4-T6 HydrophobicContact CG1-CG2 4.03Å
5	E	36.3	Very low	41.1	Very low	191 Å²	191	130.3 Å²	130.3	89%	0.893	72%	0.722	S	S	*	*			trans	-84.9	108.3	164.2	-82.7	177.7	159	0	0	107.8
6	T	42	Very low	41.2	Very low	78 Å²	78	128.1 Å²	128.1	48%	0.479	71%	0.712	S	S	.	*			trans	-95.1	106.5	168.2	39.3	0	0	0	0	108.9	V4 F8	V4-T6 HydrophobicContact CG1-CG2 4.03Å; T6-F8 HydrophobicContact CG2-CE2 4.41Å; T6-F8 WeakPolarHBondContact OG1-CE2 3.28Å
7	D	37.1	Very low	41.3	Very low	121 Å²	121	128.4 Å²	128.4	65%	0.647	71%	0.707	S	S	*	*			trans	-81.1	111.1	167.7	-157.3	-20.6	0	0	0	108.4	S9	D7-S9 VanDerWaalsContact C-N 3.29Å; D7-S9 PolarHBondContact O-N 2.97Å; D7-S9 PolarHBondContact OD1-OG 3.49Å
8	F	44.2	Very low	41.3	Very low	185 Å²	185	127.5 Å²	127.5	81%	0.811	71%	0.706	S	S	*	*			trans	-89.1	12.4	-175.7	-86.5	-85.7	0	0	0	113.1	T6	T6-F8 HydrophobicContact CG2-CE2 4.41Å; T6-F8 WeakPolarHBondContact OG1-CE2 3.28Å
9	S	41.3	Very low	41.3	Very low	90 Å²	90	130.8 Å²	130.8	63%	0.629	71%	0.706	S	S	*	*	S	Bend	trans	-95.2	-2.5	-170.4	67.9	0	0	0	0	115.5	D7	D7-S9 VanDerWaalsContact C-N 3.29Å; D7-S9 PolarHBondContact O-N 2.97Å; D7-S9 PolarHBondContact OD1-OG 3.49Å
10	T	41.8	Very low	41.2	Very low	94 Å²	94	132.8 Å²	132.8	58%	0.577	71%	0.711	S	S	*	*	S	Bend	trans	-138.1	144.6	179.5	38.4	0	0	0	0	110.7	E12	T10-E12 PolarHBondContact O-N 3.02Å
11	E	44.6	Very low	41.3	Very low	202 Å²	202	130.7 Å²	130.7	94%	0.944	70%	0.703	S	S	*	*	S	Bend	trans	-61.3	12.3	180	-78.6	-174.8	139	0	0	114.8
12	E	40.5	Very low	41.5	Very low	138 Å²	138	129.9 Å²	129.9	65%	0.645	69%	0.687	S	S	*	*			trans	-121.7	99.6	179.8	-67.6	-168	152.1	0	0	110.4	T10 T14	T10-E12 PolarHBondContact O-N 3.02Å; E12-T14 PolarHBondContact O-N 3.3Å; E12-T14 VanDerWaalsContact O-N 3.07Å
13	T	43.7	Very low	41.4	Very low	93 Å²	93	134.2 Å²	134.2	57%	0.571	69%	0.69	S	S	*	*			trans	-74.7	98.9	168	-38.6	0	0	0	0	108.9
14	T	42.2	Very low	41.6	Very low	101 Å²	101	135.3 Å²	135.3	62%	0.62	69%	0.686	S	S	*	*			trans	-82.4	117.5	170.5	27.2	0	0	0	0	109.2	E12	E12-T14 PolarHBondContact O-N 3.3Å; E12-T14 VanDerWaalsContact O-N 3.07Å
15	V	46.1	Very low	41.3	Very low	84 Å²	84	134.5 Å²	134.5	51%	0.509	69%	0.685	S	S	.	*			trans	-101.2	104.7	170.6	-177.8	0	0	0	0	108.1	E17	V15-E17 PolarHBondContact O-N 3.36Å
16	T	42.8	Very low	41.4	Very low	94 Å²	94	132.6 Å²	132.6	58%	0.577	68%	0.68	S	S	*	*			trans	-88	94.6	172.4	22.6	0	0	0	0	109.7	V18	T16-V18 PolarHBondContact O-N 2.91Å
17	E	43.5	Very low	41.3	Very low	133 Å²	133	136.4 Å²	136.4	62%	0.621	70%	0.697	S	S	*	*			trans	-82.7	106.3	165.3	-164.2	-173.1	168.6	0	0	109.3	V15 R19	V15-E17 PolarHBondContact O-N 3.36Å; E17-R19 PolarHBondContact O-N 3.11Å; E17-R19 VanDerWaalsContact O-N 3.14Å
18	V	41.7	Very low	41.5	Very low	113 Å²	113	135.4 Å²	135.4	69%	0.685	70%	0.699	S	S	*	*			trans	-80.5	91.3	171	-177	0	0	0	0	108.3	T16 Q20	T16-V18 PolarHBondContact O-N 2.91Å; V18-Q20 PolarHBondContact O-N 3.15Å
19	R	41.1	Very low	41.2	Very low	190 Å²	190	132.6 Å²	132.6	72%	0.717	70%	0.698	S	S	*	*			trans	-81.3	101.2	172.8	-155.8	176.3	-168.7	-175.4	3.9	109.7	E17 T21	E17-R19 PolarHBondContact O-N 3.11Å; E17-R19 VanDerWaalsContact O-N 3.14Å; R19-T21 PolarHBondContact O-N 3.25Å; R19-T21 VanDerWaalsContact O-N 3.11Å
20	Q	39.3	Very low	41.1	Very low	170 Å²	170	137.6 Å²	137.6	79%	0.794	71%	0.711	S	S	*	*			trans	-81.7	85	177.5	-150.2	178.5	25.8	0	0	110	V18 R22	V18-Q20 PolarHBondContact O-N 3.15Å; Q20-R22 PolarHBondContact O-N 3.11Å
21	T	42.6	Very low	40.9	Very low	89 Å²	89	136.4 Å²	136.4	55%	0.546	72%	0.717	S	S	.	*			trans	-76.5	102.4	169.3	29.6	0	0	0	0	110	R19	R19-T21 PolarHBondContact O-N 3.25Å; R19-T21 VanDerWaalsContact O-N 3.11Å
22	R	38.7	Very low	40.8	Very low	221 Å²	221	134.3 Å²	134.3	83%	0.834	71%	0.713	S	S	*	*			trans	-80.4	113.6	163.6	-96.8	-175	-179.5	173.3	1.2	108.9	Q20	Q20-R22 PolarHBondContact O-N 3.11Å
23	Y	41.7	Very low	40.8	Very low	209 Å²	209	136 Å²	136	82%	0.82	72%	0.72	S	S	*	*			trans	-86.5	113.6	161.2	-61.7	-84.4	0	0	0	107.8
24	V	41	Very low	40.8	Very low	119 Å²	119	138.9 Å²	138.9	72%	0.721	73%	0.732	S	S	*	*			trans	-99.3	112.1	167.7	-178.6	0	0	0	0	105.9
25	C	36	Very low	40.8	Very low	109 Å²	109	139.1 Å²	139.1	74%	0.736	75%	0.745	S	S	*	*			trans	-106.6	106.7	167.2	-154.4	0	0	0	0	106.8	L27	C25-L27 PolarHBondContact O-N 3.2Å
26	D	37.5	Very low	40.9	Very low	151 Å²	151	142.8 Å²	142.8	81%	0.807	76%	0.76	S	S	*	*			trans	-72.4	105.6	168.8	-98.8	-33.4	0	0	0	108.1
27	L	40.9	Very low	41.2	Very low	159 Å²	159	143.3 Å²	143.3	83%	0.832	77%	0.765	S	S	*	*			trans	-92.8	89.9	160.3	-90.2	93.8	0	0	0	107.9	C25 T29	C25-L27 PolarHBondContact O-N 3.2Å; L27-T29 PolarHBondContact O-N 3.25Å
28	S	40.2	Very low	41.3	Very low	99 Å²	99	147 Å²	147	69%	0.692	78%	0.779	S	S	*	*			trans	-76.2	120.9	163	65.8	0	0	0	0	109.3
29	T	38	Very low	41.4	Very low	126 Å²	126	147.7 Å²	147.7	77%	0.773	78%	0.784	S	S	*	*	S	Bend	trans	64.9	119.9	152.7	55.5	0	0	0	0	118.2	L27	L27-T29 PolarHBondContact O-N 3.25Å
30	Q	39.1	Very low	41.4	Very low	196 Å²	196	144.5 Å²	144.5	92%	0.916	79%	0.79	S	S	*	*			trans	119.3	124.4	139.7	-145.6	159.9	38.3	0	0	112.7
31	G	38.3	Very low	41.3	Very low	68 Å²	68	139.4 Å²	139.4	70%	0.701	78%	0.784	S	S	*	*			trans	-63.7	147.2	-152.5	0	0	0	0	0	114.8
32	D	42.4	Very low	41.3	Very low	158 Å²	158	140.7 Å²	140.7	85%	0.845	80%	0.796	S	S	*	*				-163.6	148.3	121.6	-112.7	-30.5	0	0	0	111.1	N34	D32-N34 PolarHBondContact O-N 3.17Å
33	H	40.4	Very low	41.3	Very low	175 Å²	175	134.3 Å²	134.3	81%	0.81	79%	0.79	S	S	*	*	S	Bend	trans	-56.9	97.3	178.3	-70.5	-90.9	0	0	0	111.3
34	N	42.8	Very low	41.1	Very low	152 Å²	152	131.2 Å²	131.2	81%	0.813	78%	0.783	S	S	*	*			trans	-174.8	77.6	154.5	-89.7	-26.7	0	0	0	109.3	D32 L36	D32-N34 PolarHBondContact O-N 3.17Å; N34-L36 PolarHBondContact O-N 3.2Å
35	A	42.3	Very low	41.1	Very low	107 Å²	107	129.1 Å²	129.1	88%	0.884	77%	0.771	S	S	*	*			trans	-68.5	99.1	174	0	0	0	0	0	110.2
36	L	49	Very low	41.2	Very low	161 Å²	161	128 Å²	128	84%	0.843	76%	0.761	S	S	*	*			trans	-66.8	136	167.7	-85.6	147.1	0	0	0	109.9	N34 K38	N34-L36 PolarHBondContact O-N 3.2Å; L36-K38 PolarHBondContact O-N 3.14Å
37	P	48.9	Very low	41.3	Very low	105 Å²	105	129.4 Å²	129.4	68%	0.682	76%	0.755	S	S	*	*			trans	-63	132.3	178.6	24.8	-31.6	0	0	0	110.3	V39	P37-V39 PolarHBondContact O-N 3.18Å
38	K	45.3	Very low	41.2	Very low	210 Å²	210	130 Å²	130	91%	0.913	75%	0.751	S	S	*	*			trans	-69	88.7	177.1	-153.7	172.9	-170.9	173.7	0	108.9	L36 S40	L36-K38 PolarHBondContact O-N 3.14Å; K38-S40 PolarHBondContact O-N 3.38Å; K38-S40 VanDerWaalsContact O-N 3.11Å
39	V	43.7	Very low	41.2	Very low	128 Å²	128	130.4 Å²	130.4	78%	0.776	75%	0.745	S	S	*	*			trans	-75.2	98.9	175.7	-177.1	0	0	0	0	108.6	P37 G41	P37-V39 PolarHBondContact O-N 3.18Å; V39-G41 PolarHBondContact O-N 3.3Å; V39-G41 VanDerWaalsContact O-N 3.15Å
40	S	40.7	Very low	41.3	Very low	123 Å²	123	127.6 Å²	127.6	86%	0.86	73%	0.729	S	S	*	*			trans	-78.8	88.2	166.9	-169.8	0	0	0	0	108.4	K38	K38-S40 PolarHBondContact O-N 3.38Å; K38-S40 VanDerWaalsContact O-N 3.11Å
41	G	39.1	Very low	41.3	Very low	63 Å²	63	122.7 Å²	122.7	65%	0.649	72%	0.716	S	S	*	*			trans	-86	121	172.9	0	0	0	0	0	110.9	V39	V39-G41 PolarHBondContact O-N 3.3Å; V39-G41 VanDerWaalsContact O-N 3.15Å
42	S	40.7	Very low	41.3	Very low	115 Å²	115	125.1 Å²	125.1	80%	0.804	71%	0.712	S	S	*	*			trans	-85.3	108.6	161.5	65	0	0	0	0	108.6	Q44	S42-Q44 PolarHBondContact O-N 3.43Å
43	A	39.2	Very low	41.3	Very low	87 Å²	87	124.1 Å²	124.1	72%	0.719	71%	0.705	S	S	*	*			trans	-78.3	98.1	165.1	0	0	0	0	0	107.9	T45	A43-T45 PolarHBondContact O-N 2.95Å
44	Q	37.8	Very low	41.3	Very low	144 Å²	144	119.4 Å²	119.4	67%	0.673	69%	0.689	S	S	*	*			trans	-80.1	91.2	169	-163.2	173.1	16.9	0	0	107.6	S42 T46	S42-Q44 PolarHBondContact O-N 3.43Å; Q44-T46 PolarHBondContact O-N 3.09Å
45	T	40.4	Very low	41.3	Very low	76 Å²	76	118.4 Å²	118.4	47%	0.466	69%	0.689	S	S	.	*			trans	-77.5	97.3	167	38.2	0	0	0	0	108.6	A43 W47	A43-T45 PolarHBondContact O-N 2.95Å; T45-W47 PolarHBondContact O-N 3.09Å
46	T	39.8	Very low	41.4	Very low	85 Å²	85	116 Å²	116	52%	0.521	67%	0.665	S	S	.	*			trans	-75	100.1	169.1	-47.1	0	0	0	0	108.3	Q44 K48	Q44-T46 PolarHBondContact O-N 3.09Å; T46-K48 PolarHBondContact O-N 3.46Å
47	W	39	Very low	41.3	Very low	180 Å²	180	113 Å²	113	68%	0.682	66%	0.656	S	S	*	*			trans	-78.1	108	166.8	-58.8	92	0	0	0	107.3	T45 L49	T45-W47 PolarHBondContact O-N 3.09Å; W47-L49 PolarHBondContact O-N 3.48Å; W47-L49 VanDerWaalsContact O-N 3.09Å
48	K	39.1	Very low	41.2	Very low	172 Å²	172	109.2 Å²	109.2	75%	0.748	64%	0.635	S	S	*	*			trans	-69.5	104.9	160.4	-70.5	-169.3	177.7	-167.3	0	105.9	T46 P50	T46-K48 PolarHBondContact O-N 3.46Å; K48-P50 VanDerWaalsContact O-CD 3.28Å; K48-P50 WeakPolarHBondContact O-CD 3.39Å; K48-P50 VanDerWaalsContact O-N 3.15Å
49	L	39.2	Very low	41.3	Very low	108 Å²	108	104.5 Å²	104.5	57%	0.565	62%	0.615	S	S	*	*			trans	-58.4	119.2	166.1	-141.8	78.5	0	0	0	105.5	W47 S51	W47-L49 PolarHBondContact O-N 3.48Å; W47-L49 VanDerWaalsContact O-N 3.09Å; L49-S51 PolarHBondContact O-N 3.32Å
50	P	40	Very low	41.6	Very low	67 Å²	67	102.5 Å²	102.5	44%	0.435	61%	0.606	S	S	.	*			trans	-57.5	124.6	172	-15.6	27.8	0	0	0	105.7	K48 L52	K48-P50 VanDerWaalsContact O-CD 3.28Å; K48-P50 WeakPolarHBondContact O-CD 3.39Å; K48-P50 VanDerWaalsContact O-N 3.15Å; P50-L52 HydrophobicContact CB-CB 4.4Å; P50-L52 PolarHBondContact O-N 3.2Å
51	S	39.2	Very low	42.3	Very low	92 Å²	92	100.8 Å²	100.8	64%	0.643	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.1	11.5	176	49.8	0	0	0	0	114.3	L49 T54	L49-S51 PolarHBondContact O-N 3.32Å; S51-T54 PolarHBondContact O-OG1 2.97Å; S51-T54 VanDerWaalsContact O-OG1 3.13Å
52	L	37.6	Very low	43	Very low	119 Å²	119	99.3 Å²	99.3	62%	0.623	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.3	-8.6	-176.1	-134	80.1	0	0	0	114	P50	P50-L52 HydrophobicContact CB-CB 4.4Å; P50-L52 PolarHBondContact O-N 3.2Å
53	I	43	Very low	43.8	Very low	137 Å²	137	96.3 Å²	96.3	70%	0.703	54%	0.542	S	S	*	.	S	Bend	trans	-108.9	-16.8	178.1	-55.4	178.4	0	0	0	112.2	T55	I53-T55 PolarHBondContact O-N 3.28Å
54	T	40.4	Very low	44.8	Very low	77 Å²	77	94.8 Å²	94.8	47%	0.472	53%	0.526	S	S	.	.	S	Bend	trans	-73	117	159	44.1	0	0	0	0	107.6	S51 S56	S51-T54 PolarHBondContact O-OG1 2.97Å; S51-T54 VanDerWaalsContact O-OG1 3.13Å; T54-S56 VanDerWaalsContact C-N 3.3Å; T54-S56 PolarHBondContact O-N 2.91Å
55	T	44.2	Very low	45.9	Very low	130 Å²	130	88.3 Å²	88.3	80%	0.798	50%	0.496	S	S	*	.			trans	-46.4	86.1	177.5	47.2	0	0	0	0	111.7	I53 P57	I53-T55 PolarHBondContact O-N 3.28Å; T55-P57 WeakPolarHBondContact O-CD 3.35Å
56	S	43.6	Very low	46.9	Very low	57 Å²	57	86 Å²	86	40%	0.399	48%	0.48	S	S	.	.			trans	-65.3	129.6	174.1	78.7	0	0	0	0	106.2	T54 G58 F59 C60	T54-S56 VanDerWaalsContact C-N 3.3Å; T54-S56 PolarHBondContact O-N 2.91Å; S56-G58 PolarHBondContact O-N 2.7Å; S56-F59 PolarHBondContact O-N 3.07Å; S56-F59 PolarHBondContact OG-N 3.37Å; S56-C60 PolarHBondContact O-N 2.84Å
57	P	46	Very low	48	Very low	98 Å²	98	86.4 Å²	86.4	64%	0.636	48%	0.478	S	S	*	.	H	α-helix	trans	-52.7	-28.6	178	14.2	-26.1	0	0	0	111.3	T55 L61	T55-P57 WeakPolarHBondContact O-CD 3.35Å; P57-L61 VanDerWaalsContact O-CB 3.25Å; P57-L61 WeakPolarHBondContact O-CB 3.49Å; P57-L61 WeakPolarHBondContact O-CD1 3.4Å; P57-L61 WeakPolarHBondContact O-CG 3.11Å; P57-L61 PolarHBondContact O-N 3.48Å
58	G	47	Very low	49.3	Very low	25 Å²	25	82 Å²	82	26%	0.258	47%	0.467	S	S	.	.	H	α-helix	trans	-62.9	-40.1	172.1	0	0	0	0	0	115.3	S56 T62	S56-G58 PolarHBondContact O-N 2.7Å; G58-T62 WeakPolarHBondContact O-CB 3.4Å; G58-T62 WeakPolarHBondContact O-CG2 3.45Å; G58-T62 PolarHBondContact O-N 2.9Å; G58-T62 PolarHBondContact O-OG1 3.2Å
59	F	47	Very low	50.4	Low	112 Å²	112	74 Å²	74	49%	0.491	43%	0.433	S	S	.	.	H	α-helix	trans	-70.9	-39.7	177	-174.1	-96.5	0	0	0	111.8	S56 T62 T63	S56-F59 PolarHBondContact O-N 3.07Å; S56-F59 PolarHBondContact OG-N 3.37Å; F59-T62 WeakPolarHBondContact CA-OG1 3.36Å; F59-T62 PolarHBondContact O-OG1 3.21Å; F59-T62 VanDerWaalsContact O-OG1 3.1Å; F59-T63 VanDerWaalsContact O-CB 3.26Å; F59-T63 WeakPolarHBondContact O-CB 3.49Å; F59-T63 PolarHBondContact O-N 3.07Å; F59-T63 PolarHBondContact O-OG1 3.37Å
60	C	50	Low	51.5	Low	86 Å²	86	70.8 Å²	70.8	58%	0.581	42%	0.416	S	S	*	.	H	α-helix	trans	-64.5	-44.2	175.3	-167.9	0	0	0	0	111	S56 S64	S56-C60 PolarHBondContact O-N 2.84Å; C60-S64 VanDerWaalsContact O-CB 3.32Å; C60-S64 WeakPolarHBondContact O-CB 3.48Å; C60-S64 PolarHBondContact O-N 3.03Å; C60-S64 PolarHBondContact O-OG 3.23Å
61	L	56.4	Low	52.7	Low	87 Å²	87	72.3 Å²	72.3	46%	0.455	42%	0.42	S	S	.	.	H	α-helix	trans	-63.7	-50	177	-78.3	162.1	0	0	0	112	P57 T63 S64 V65 L135	P57-L61 VanDerWaalsContact O-CB 3.25Å; P57-L61 WeakPolarHBondContact O-CB 3.49Å; P57-L61 WeakPolarHBondContact O-CD1 3.4Å; P57-L61 WeakPolarHBondContact O-CG 3.11Å; P57-L61 PolarHBondContact O-N 3.48Å; L61-T63 VanDerWaalsContact C-N 3.35Å; L61-T63 PolarHBondContact O-N 2.97Å; L61-S64 WeakPolarHBondContact CA-OG 3.31Å; L61-S64 PolarHBondContact O-N 3.08Å; L61-S64 VanDerWaalsContact O-N 3.16Å; L61-S64 PolarHBondContact O-OG 3.31Å; L61-V65 WeakPolarHBondContact O-CG2 3.48Å; L61-V65 PolarHBondContact O-N 2.95Å; L61-L135 HydrophobicContact CB-CD1 4.3Å
62	T	54.5	Low	53.9	Low	31 Å²	31	69.8 Å²	69.8	19%	0.19	40%	0.399	C	S	.	.	H	α-helix	trans	-62.5	-40.4	178.4	47.4	0	0	0	0	112.5	G58 F59 S64 V65 K66 L135	G58-T62 WeakPolarHBondContact O-CB 3.4Å; G58-T62 WeakPolarHBondContact O-CG2 3.45Å; G58-T62 PolarHBondContact O-N 2.9Å; G58-T62 PolarHBondContact O-OG1 3.2Å; F59-T62 WeakPolarHBondContact CA-OG1 3.36Å; F59-T62 PolarHBondContact O-OG1 3.21Å; F59-T62 VanDerWaalsContact O-OG1 3.1Å; T62-S64 VanDerWaalsContact C-N 3.35Å; T62-V65 PolarHBondContact O-N 3.29Å; T62-K66 WeakPolarHBondContact O-CG 3.31Å; T62-K66 PolarHBondContact O-N 2.97Å; T62-L135 HydrophobicContact CG2-CD1 4.09Å
63	T	57.2	Low	55.1	Low	52 Å²	52	64.1 Å²	64.1	32%	0.319	37%	0.369	S	S	.	.	H	α-helix	trans	-63.8	-41.7	174.3	-55.7	0	0	0	0	111.2	F59 L61 V65 K66 L67	F59-T63 VanDerWaalsContact O-CB 3.26Å; F59-T63 WeakPolarHBondContact O-CB 3.49Å; F59-T63 PolarHBondContact O-N 3.07Å; F59-T63 PolarHBondContact O-OG1 3.37Å; L61-T63 VanDerWaalsContact C-N 3.35Å; L61-T63 PolarHBondContact O-N 2.97Å; T63-V65 VanDerWaalsContact C-N 3.33Å; T63-V65 PolarHBondContact O-N 3.47Å; T63-K66 PolarHBondContact O-N 2.69Å; T63-L67 HydrophobicContact CG2-CD1 4.11Å; T63-L67 HydrophobicContact CG2-CG 4.42Å; T63-L67 WeakPolarHBondContact O-CB 3.37Å; T63-L67 VanDerWaalsContact O-CG 3.3Å; T63-L67 WeakPolarHBondContact O-CG 3.05Å; T63-L67 PolarHBondContact O-N 3.36Å
64	S	60.2	Low	55.9	Low	55 Å²	55	60 Å²	60	39%	0.385	35%	0.353	S	S	.	.	H	α-helix	trans	-64	-37.4	176.7	75.9	0	0	0	0	112.4	C60 L61 T62 L67 L68	C60-S64 VanDerWaalsContact O-CB 3.32Å; C60-S64 WeakPolarHBondContact O-CB 3.48Å; C60-S64 PolarHBondContact O-N 3.03Å; C60-S64 PolarHBondContact O-OG 3.23Å; L61-S64 WeakPolarHBondContact CA-OG 3.31Å; L61-S64 PolarHBondContact O-N 3.08Å; L61-S64 VanDerWaalsContact O-N 3.16Å; L61-S64 PolarHBondContact O-OG 3.31Å; T62-S64 VanDerWaalsContact C-N 3.35Å; S64-L67 PolarHBondContact O-N 3.49Å; S64-L68 WeakPolarHBondContact O-CB 3.31Å; S64-L68 PolarHBondContact O-N 3.45Å
65	V	60.4	Low	57	Low	9 Å²	9	60.8 Å²	60.8	6%	0.055	36%	0.357	C	S	.	.	H	α-helix	trans	-67.8	-46.5	176.3	175.3	0	0	0	0	110.4	L61 T62 T63 L67 L68 Q69 A128 D132	L61-V65 WeakPolarHBondContact O-CG2 3.48Å; L61-V65 PolarHBondContact O-N 2.95Å; T62-V65 PolarHBondContact O-N 3.29Å; T63-V65 VanDerWaalsContact C-N 3.33Å; T63-V65 PolarHBondContact O-N 3.47Å; V65-L67 VanDerWaalsContact C-N 3.35Å; V65-L67 PolarHBondContact O-N 3.41Å; V65-L68 WeakPolarHBondContact O-CB 3.26Å; V65-L68 PolarHBondContact O-N 3.28Å; V65-Q69 HydrophobicContact CG1-CG 4.37Å; V65-Q69 WeakPolarHBondContact O-CB 3.48Å; V65-Q69 VanDerWaalsContact O-CG 3.25Å; V65-Q69 WeakPolarHBondContact O-CG 3.44Å; V65-Q69 PolarHBondContact O-N 2.93Å; V65-A128 HydrophobicContact CG1-CB 3.95Å; V65-D132 WeakPolarHBondContact CG1-OD1 3.1Å; V65-D132 WeakPolarHBondContact CG1-OD2 3.25Å
66	K	60.9	Low	57.8	Low	26 Å²	26	55.3 Å²	55.3	11%	0.113	32%	0.323	C	S	.	.	H	α-helix	trans	-63.1	-39.1	176	-68.5	-68.6	-176.3	-179.8	0	112.2	T62 T63 Q69 I70 D150	T62-K66 WeakPolarHBondContact O-CG 3.31Å; T62-K66 PolarHBondContact O-N 2.97Å; T63-K66 PolarHBondContact O-N 2.69Å; K66-Q69 PolarHBondContact O-N 3.13Å; K66-I70 WeakPolarHBondContact O-CD1 3.45Å; K66-I70 VanDerWaalsContact O-CG1 3.28Å; K66-I70 WeakPolarHBondContact O-CG1 3.29Å; K66-I70 PolarHBondContact O-N 2.79Å; K66-D150 IonicContact NZ-OD1 3.55Å; K66-D150 IonicContact NZ-OD2 3.19Å; K66-D150 PolarHBondContact NZ-OD2 2.92Å
67	L	62.9	Low	58.8	Low	94 Å²	94	54.2 Å²	54.2	49%	0.492	31%	0.313	S	S	.	.	H	α-helix	trans	-62.9	-43.7	173.5	-77.9	171.9	0	0	0	111.6	T63 S64 V65 Q69 I70 L71	T63-L67 HydrophobicContact CG2-CD1 4.11Å; T63-L67 HydrophobicContact CG2-CG 4.42Å; T63-L67 WeakPolarHBondContact O-CB 3.37Å; T63-L67 VanDerWaalsContact O-CG 3.3Å; T63-L67 WeakPolarHBondContact O-CG 3.05Å; T63-L67 PolarHBondContact O-N 3.36Å; S64-L67 PolarHBondContact O-N 3.49Å; V65-L67 VanDerWaalsContact C-N 3.35Å; V65-L67 PolarHBondContact O-N 3.41Å; L67-Q69 VanDerWaalsContact C-N 3.33Å; L67-Q69 PolarHBondContact O-N 2.93Å; L67-I70 PolarHBondContact O-N 3.3Å; L67-L71 WeakPolarHBondContact O-CB 3.17Å; L67-L71 VanDerWaalsContact O-CG 3.3Å; L67-L71 WeakPolarHBondContact O-CG 3.47Å; L67-L71 PolarHBondContact O-N 2.93Å
68	L	65.6	Low	59.4	Low	87 Å²	87	52.4 Å²	52.4	46%	0.455	31%	0.306	S	S	.	.	H	α-helix	trans	-61.7	-43	174.9	-172.3	67.2	0	0	0	110.9	S64 V65 I70 L71 L72	S64-L68 WeakPolarHBondContact O-CB 3.31Å; S64-L68 PolarHBondContact O-N 3.45Å; V65-L68 WeakPolarHBondContact O-CB 3.26Å; V65-L68 PolarHBondContact O-N 3.28Å; L68-I70 PolarHBondContact O-N 2.98Å; L68-L71 PolarHBondContact O-N 3.18Å; L68-L72 WeakPolarHBondContact O-CB 3.34Å; L68-L72 PolarHBondContact O-N 2.89Å
69	Q	62.7	Low	60	Low	4 Å²	4	53.6 Å²	53.6	2%	0.019	31%	0.31	C	S	.	.	H	α-helix	trans	-62.6	-26.2	176.8	-70.4	175.4	-3.4	0	0	113.1	V65 K66 L67 P73 W125 A128 D132	V65-Q69 HydrophobicContact CG1-CG 4.37Å; V65-Q69 WeakPolarHBondContact O-CB 3.48Å; V65-Q69 VanDerWaalsContact O-CG 3.25Å; V65-Q69 WeakPolarHBondContact O-CG 3.44Å; V65-Q69 PolarHBondContact O-N 2.93Å; K66-Q69 PolarHBondContact O-N 3.13Å; L67-Q69 VanDerWaalsContact C-N 3.33Å; L67-Q69 PolarHBondContact O-N 2.93Å; Q69-P73 WeakPolarHBondContact O-CD 3.28Å; Q69-P73 VanDerWaalsContact O-CG 3.25Å; Q69-P73 WeakPolarHBondContact O-CG 3.47Å; Q69-W125 HydrophobicContact CB-CH2 3.84Å; Q69-W125 HydrophobicContact CB-CZ3 3.59Å; Q69-W125 HydrophobicContact CG-CE3 4.26Å; Q69-W125 HydrophobicContact CG-CH2 3.57Å; Q69-W125 HydrophobicContact CG-CZ3 3.4Å; Q69-W125 VanDerWaalsContact CG-CZ3 3.4Å; Q69-A128 HydrophobicContact CG-CB 4.47Å; Q69-D132 PolarHBondContact NE2-OD2 2.74Å
70	I	63.4	Low	60.7	Low	41 Å²	41	48.8 Å²	48.8	21%	0.21	29%	0.289	C	S	.	.	H	α-helix	trans	-87	-43.3	176	-66.4	163.2	0	0	0	111.8	K66 L67 L68 P73 S74 H204 A208	K66-I70 WeakPolarHBondContact O-CD1 3.45Å; K66-I70 VanDerWaalsContact O-CG1 3.28Å; K66-I70 WeakPolarHBondContact O-CG1 3.29Å; K66-I70 PolarHBondContact O-N 2.79Å; L67-I70 PolarHBondContact O-N 3.3Å; L68-I70 PolarHBondContact O-N 2.98Å; I70-P73 WeakPolarHBondContact O-CD 3.42Å; I70-S74 PolarHBondContact O-OG 3.37Å; I70-S74 VanDerWaalsContact O-OG 3.05Å; I70-H204 HydrophobicContact CG1-CB 4.33Å; I70-A208 HydrophobicContact CD1-CB 4.19Å
71	L	63.8	Low	61.3	Low	100 Å²	100	48.9 Å²	48.9	52%	0.524	28%	0.284	S	S	.	.	H	α-helix	trans	-70.7	-39.1	-177.1	-73.2	171.9	0	0	0	111.4	L67 L68 S74 V75	L67-L71 WeakPolarHBondContact O-CB 3.17Å; L67-L71 VanDerWaalsContact O-CG 3.3Å; L67-L71 WeakPolarHBondContact O-CG 3.47Å; L67-L71 PolarHBondContact O-N 2.93Å; L68-L71 PolarHBondContact O-N 3.18Å; L71-S74 WeakPolarHBondContact O-CB 3.4Å; L71-S74 PolarHBondContact O-N 3.46Å; L71-S74 VanDerWaalsContact O-N 3.12Å; L71-V75 WeakPolarHBondContact O-CG2 3.33Å; L71-V75 PolarHBondContact O-N 3.26Å
72	L	64.8	Low	61.5	Low	39 Å²	39	48.4 Å²	48.4	20%	0.204	29%	0.287	C	S	.	.	H	α-helix	trans	-63.3	-46.1	-172.5	-162.9	74.7	0	0	0	112.1	L68 S74 V75 T76 F121 C124	L68-L72 WeakPolarHBondContact O-CB 3.34Å; L68-L72 PolarHBondContact O-N 2.89Å; L72-S74 VanDerWaalsContact C-N 3.31Å; L72-S74 PolarHBondContact O-N 2.87Å; L72-V75 PolarHBondContact O-N 3.33Å; L72-T76 WeakPolarHBondContact O-CB 3.42Å; L72-T76 PolarHBondContact O-N 3.44Å; L72-T76 PolarHBondContact O-OG1 3.19Å; L72-F121 HydrophobicContact CB-CD2 4.3Å; L72-F121 HydrophobicContact CB-CE2 3.79Å; L72-F121 HydrophobicContact CD2-CD2 3.38Å; L72-F121 HydrophobicContact CD2-CE2 3.4Å; L72-F121 HydrophobicContact CD2-CG 4.22Å; L72-F121 HydrophobicContact CD2-CZ 4.27Å; L72-F121 HydrophobicContact CG-CD2 3.43Å; L72-F121 VanDerWaalsContact CG-CD2 3.43Å; L72-F121 HydrophobicContact CG-CE2 3.41Å; L72-F121 VanDerWaalsContact CG-CE2 3.41Å; L72-C124 HydrophobicContact CD2-CB 3.8Å
73	P	62.6	Low	61.9	Low	0 Å²	0	48 Å²	48	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-60.9	-37.7	172.5	-25.6	34.9	0	0	0	113.5	Q69 I70 T76 L77 F121 F157 L197 T201	Q69-P73 WeakPolarHBondContact O-CD 3.28Å; Q69-P73 VanDerWaalsContact O-CG 3.25Å; Q69-P73 WeakPolarHBondContact O-CG 3.47Å; I70-P73 WeakPolarHBondContact O-CD 3.42Å; P73-T76 PolarHBondContact O-N 3Å; P73-L77 VanDerWaalsContact O-CB 3.24Å; P73-L77 WeakPolarHBondContact O-CB 3.3Å; P73-L77 PolarHBondContact O-N 3.27Å; P73-F121 HydrophobicContact CG-CE2 4.08Å; P73-F121 HydrophobicContact CG-CZ 3.99Å; P73-F157 HydrophobicContact CG-CZ 4.22Å; P73-L197 HydrophobicContact CB-CD2 4.35Å; P73-T201 WeakPolarHBondContact CB-OG1 3.42Å
74	S	60.8	Low	62.1	Low	50 Å²	50	46.6 Å²	46.6	35%	0.35	28%	0.275	S	S	.	.	H	α-helix	trans	-69	-42.7	-178.7	-57	0	0	0	0	112	I70 L71 L72 L77 A78	I70-S74 PolarHBondContact O-OG 3.37Å; I70-S74 VanDerWaalsContact O-OG 3.05Å; L71-S74 WeakPolarHBondContact O-CB 3.4Å; L71-S74 PolarHBondContact O-N 3.46Å; L71-S74 VanDerWaalsContact O-N 3.12Å; L72-S74 VanDerWaalsContact C-N 3.31Å; L72-S74 PolarHBondContact O-N 2.87Å; S74-L77 PolarHBondContact O-N 2.89Å; S74-A78 WeakPolarHBondContact O-CB 3.36Å; S74-A78 PolarHBondContact O-N 3.2Å
75	V	63.2	Low	62.3	Low	93 Å²	93	51.9 Å²	51.9	56%	0.564	29%	0.291	S	S	*	.	H	α-helix	trans	-66.6	-43.8	175.5	172.7	0	0	0	0	110.3	L71 L72 L77 A78 C79	L71-V75 WeakPolarHBondContact O-CG2 3.33Å; L71-V75 PolarHBondContact O-N 3.26Å; L72-V75 PolarHBondContact O-N 3.33Å; V75-L77 VanDerWaalsContact C-N 3.34Å; V75-L77 PolarHBondContact O-N 3.02Å; V75-A78 PolarHBondContact O-N 3.33Å; V75-C79 WeakPolarHBondContact O-CB 3.47Å; V75-C79 PolarHBondContact O-N 2.68Å
76	T	61.6	Low	62.4	Low	15 Å²	15	57 Å²	57	9%	0.092	31%	0.313	C	S	.	.	H	α-helix	trans	-58.6	-49	174	-57.7	0	0	0	0	109.8	L72 P73 A78 C79 L80 V117 L197	L72-T76 WeakPolarHBondContact O-CB 3.42Å; L72-T76 PolarHBondContact O-N 3.44Å; L72-T76 PolarHBondContact O-OG1 3.19Å; P73-T76 PolarHBondContact O-N 3Å; T76-A78 PolarHBondContact O-N 2.89Å; T76-C79 WeakPolarHBondContact O-CB 3.36Å; T76-C79 PolarHBondContact O-N 2.82Å; T76-L80 HydrophobicContact CG2-CD1 4.27Å; T76-L80 HydrophobicContact CG2-CG 4.19Å; T76-L80 WeakPolarHBondContact O-CB 3.48Å; T76-L80 VanDerWaalsContact O-CG 3.23Å; T76-L80 WeakPolarHBondContact O-CG 3.3Å; T76-L80 PolarHBondContact O-N 3.3Å; T76-V117 HydrophobicContact CG2-CG1 3.9Å; T76-L197 HydrophobicContact CG2-CD1 3.74Å; T76-L197 HydrophobicContact CG2-CD2 4.29Å
77	L	64.1	Low	62.5	Low	35 Å²	35	56 Å²	56	18%	0.183	31%	0.309	C	S	.	.	H	α-helix	trans	-58.5	-44.9	178.2	-178	64.9	0	0	0	112.2	P73 S74 V75 C79 L80 L81 L197	P73-L77 VanDerWaalsContact O-CB 3.24Å; P73-L77 WeakPolarHBondContact O-CB 3.3Å; P73-L77 PolarHBondContact O-N 3.27Å; S74-L77 PolarHBondContact O-N 2.89Å; V75-L77 VanDerWaalsContact C-N 3.34Å; V75-L77 PolarHBondContact O-N 3.02Å; L77-C79 PolarHBondContact O-N 3.17Å; L77-L80 PolarHBondContact O-N 2.95Å; L77-L81 HydrophobicContact CD1-CD1 4.43Å; L77-L81 HydrophobicContact CD1-CG 4.41Å; L77-L81 HydrophobicContact CG-CD1 4.17Å; L77-L81 WeakPolarHBondContact O-CB 3.25Å; L77-L81 VanDerWaalsContact O-CG 3.31Å; L77-L81 WeakPolarHBondContact O-CG 3.32Å; L77-L81 PolarHBondContact O-N 3.38Å; L77-L197 HydrophobicContact CB-CB 4.47Å; L77-L197 HydrophobicContact CB-CD1 4.07Å; L77-L197 HydrophobicContact CD1-CB 4.43Å; L77-L197 HydrophobicContact CD1-CD1 4.33Å
78	A	58.8	Low	62.5	Low	59 Å²	59	54.3 Å²	54.3	49%	0.488	30%	0.301	S	S	.	.	H	α-helix	trans	-63.3	-41.8	177.3	0	0	0	0	0	112.1	S74 V75 T76 L81 S82	S74-A78 WeakPolarHBondContact O-CB 3.36Å; S74-A78 PolarHBondContact O-N 3.2Å; V75-A78 PolarHBondContact O-N 3.33Å; T76-A78 PolarHBondContact O-N 2.89Å; A78-L81 PolarHBondContact O-N 3.31Å; A78-S82 WeakPolarHBondContact O-CB 3.36Å; A78-S82 PolarHBondContact O-N 3.32Å
79	C	60	Low	62.4	Low	50 Å²	50	57.3 Å²	57.3	34%	0.338	31%	0.307	S	S	.	.	H	α-helix	trans	-61.7	-45.7	174.8	-173.2	0	0	0	0	110.9	V75 T76 L77 S82 Q83	V75-C79 WeakPolarHBondContact O-CB 3.47Å; V75-C79 PolarHBondContact O-N 2.68Å; T76-C79 WeakPolarHBondContact O-CB 3.36Å; T76-C79 PolarHBondContact O-N 2.82Å; L77-C79 PolarHBondContact O-N 3.17Å; C79-S82 WeakPolarHBondContact O-CB 3.32Å; C79-S82 PolarHBondContact O-N 3.21Å; C79-Q83 WeakPolarHBondContact O-CG 3.34Å; C79-Q83 PolarHBondContact O-N 3.06Å
80	L	60.7	Low	62.4	Low	11 Å²	11	59.1 Å²	59.1	6%	0.058	32%	0.317	C	S	.	.	H	α-helix	trans	-61.3	-47.3	177.7	-72.2	-168.4	0	0	0	111.7	T76 L77 S82 Q83 C84 Q114 W190 A193 L197	T76-L80 HydrophobicContact CG2-CD1 4.27Å; T76-L80 HydrophobicContact CG2-CG 4.19Å; T76-L80 WeakPolarHBondContact O-CB 3.48Å; T76-L80 VanDerWaalsContact O-CG 3.23Å; T76-L80 WeakPolarHBondContact O-CG 3.3Å; T76-L80 PolarHBondContact O-N 3.3Å; L77-L80 PolarHBondContact O-N 2.95Å; L80-S82 VanDerWaalsContact C-N 3.3Å; L80-S82 PolarHBondContact O-N 2.89Å; L80-Q83 PolarHBondContact O-N 2.85Å; L80-C84 PolarHBondContact O-N 3.49Å; L80-Q114 HydrophobicContact CD2-CG 3.86Å; L80-W190 HydrophobicContact CB-CE3 3.78Å; L80-W190 HydrophobicContact CB-CH2 4.43Å; L80-W190 HydrophobicContact CB-CZ3 3.33Å; L80-W190 HydrophobicContact CD1-CZ3 4.37Å; L80-W190 HydrophobicContact CD2-CE3 4.42Å; L80-W190 HydrophobicContact CD2-CH2 4.16Å; L80-W190 HydrophobicContact CD2-CZ3 3.47Å; L80-W190 VanDerWaalsContact CD2-CZ3 3.47Å; L80-W190 HydrophobicContact CG-CE3 4.44Å; L80-W190 HydrophobicContact CG-CZ3 3.81Å; L80-W190 WeakPolarHBondContact O-CH2 3.35Å; L80-W190 WeakPolarHBondContact O-CZ3 3.41Å; L80-A193 HydrophobicContact CD1-CB 3.97Å; L80-L197 HydrophobicContact CD1-CD1 3.46Å; L80-L197 VanDerWaalsContact CD1-CD1 3.46Å; L80-L197 HydrophobicContact CG-CD1 4.42Å
81	L	62.1	Low	62.4	Low	88 Å²	88	58.6 Å²	58.6	46%	0.461	32%	0.315	S	S	.	.	H	α-helix	trans	-62.8	-37.2	176.5	-70.9	173.1	0	0	0	112.4	L77 A78 C84 K85	L77-L81 HydrophobicContact CD1-CD1 4.43Å; L77-L81 HydrophobicContact CD1-CG 4.41Å; L77-L81 HydrophobicContact CG-CD1 4.17Å; L77-L81 WeakPolarHBondContact O-CB 3.25Å; L77-L81 VanDerWaalsContact O-CG 3.31Å; L77-L81 WeakPolarHBondContact O-CG 3.32Å; L77-L81 PolarHBondContact O-N 3.38Å; A78-L81 PolarHBondContact O-N 3.31Å; L81-C84 PolarHBondContact O-N 2.76Å; L81-K85 PolarHBondContact O-N 3.1Å; L81-K85 VanDerWaalsContact O-N 3.1Å
82	S	62	Low	62.5	Low	77 Å²	77	57.2 Å²	57.2	54%	0.538	31%	0.309	S	S	.	.	H	α-helix	trans	-65.2	-42.8	175.1	-171.6	0	0	0	0	111.5	A78 C79 L80 K85 F86	A78-S82 WeakPolarHBondContact O-CB 3.36Å; A78-S82 PolarHBondContact O-N 3.32Å; C79-S82 WeakPolarHBondContact O-CB 3.32Å; C79-S82 PolarHBondContact O-N 3.21Å; L80-S82 VanDerWaalsContact C-N 3.3Å; L80-S82 PolarHBondContact O-N 2.89Å; S82-K85 PolarHBondContact O-N 2.85Å; S82-F86 WeakPolarHBondContact O-CB 3.21Å; S82-F86 PolarHBondContact O-N 2.91Å
83	Q	62.9	Low	62.4	Low	24 Å²	24	59.6 Å²	59.6	11%	0.112	32%	0.315	C	S	.	.	H	α-helix	trans	-63.8	-43.1	175.8	-74.4	177.1	4.6	0	0	111.2	C79 L80 K85 F86 T87 W190	C79-Q83 WeakPolarHBondContact O-CG 3.34Å; C79-Q83 PolarHBondContact O-N 3.06Å; L80-Q83 PolarHBondContact O-N 2.85Å; Q83-K85 PolarHBondContact O-N 3.46Å; Q83-F86 PolarHBondContact O-N 2.65Å; Q83-F86 VanDerWaalsContact O-N 3.17Å; Q83-T87 PolarHBondContact O-N 3.16Å; Q83-T87 PolarHBondContact O-OG1 3.45Å; Q83-W190 HydrophobicContact CB-CH2 3.33Å; Q83-W190 HydrophobicContact CB-CZ2 3.76Å; Q83-W190 HydrophobicContact CB-CZ3 4.24Å; Q83-W190 HydrophobicContact CG-CH2 4.38Å
84	C	61.3	Low	62.5	Low	21 Å²	21	59.8 Å²	59.8	14%	0.142	32%	0.317	C	S	.	.	H	α-helix	trans	-56.8	-46.6	174.8	-179.3	0	0	0	0	112.3	L80 L81 T87 N88 W190	L80-C84 PolarHBondContact O-N 3.49Å; L81-C84 PolarHBondContact O-N 2.76Å; C84-T87 PolarHBondContact O-N 2.88Å; C84-N88 WeakPolarHBondContact O-CB 3.28Å; C84-N88 VanDerWaalsContact O-CG 3.3Å; C84-N88 PolarHBondContact O-N 2.91Å; C84-N88 PolarHBondContact O-ND2 3.5Å; C84-W190 HydrophobicContact CB-CD2 3.7Å; C84-W190 HydrophobicContact CB-CE3 4.26Å; C84-W190 HydrophobicContact CB-CG 3.83Å; C84-W190 HydrophobicContact CB-CZ2 4.3Å
85	K	64	Low	62.7	Low	166 Å²	166	66.4 Å²	66.4	72%	0.722	34%	0.335	S	S	*	.	H	α-helix	trans	-62.7	-43.7	175.8	-76	-173.6	176.7	-178	0	112.1	L81 S82 Q83 N88 Y89	L81-K85 PolarHBondContact O-N 3.1Å; L81-K85 VanDerWaalsContact O-N 3.1Å; S82-K85 PolarHBondContact O-N 2.85Å; Q83-K85 PolarHBondContact O-N 3.46Å; K85-N88 PolarHBondContact O-N 3.05Å; K85-Y89 WeakPolarHBondContact O-CB 3.34Å; K85-Y89 PolarHBondContact O-N 2.93Å
86	F	62.9	Low	63	Low	117 Å²	117	71 Å²	71	51%	0.513	34%	0.342	S	S	.	.	H	α-helix	trans	-63.9	-44	178.9	-176.8	-108.1	0	0	0	111.9	S82 Q83 Y89 L90	S82-F86 WeakPolarHBondContact O-CB 3.21Å; S82-F86 PolarHBondContact O-N 2.91Å; Q83-F86 PolarHBondContact O-N 2.65Å; Q83-F86 VanDerWaalsContact O-N 3.17Å; F86-Y89 PolarHBondContact O-N 3.49Å; F86-L90 HydrophobicContact CD1-CD1 3.74Å; F86-L90 HydrophobicContact CD1-CG 4.37Å; F86-L90 HydrophobicContact CE1-CD1 3.2Å; F86-L90 HydrophobicContact CE1-CG 4.01Å; F86-L90 HydrophobicContact CE2-CD1 4.34Å; F86-L90 HydrophobicContact CE2-CG 4.31Å; F86-L90 HydrophobicContact CZ-CD1 3.55Å; F86-L90 HydrophobicContact CZ-CD2 4.3Å; F86-L90 HydrophobicContact CZ-CG 3.97Å; F86-L90 PolarHBondContact O-N 3.41Å
87	T	62	Low	63.2	Low	4 Å²	4	78.1 Å²	78.1	3%	0.025	37%	0.368	C	S	.	.	H	α-helix	trans	-64.4	-42.2	176.4	-51.9	0	0	0	0	111.8	Q83 C84 Y89 L90 T91 I106 H186	Q83-T87 PolarHBondContact O-N 3.16Å; Q83-T87 PolarHBondContact O-OG1 3.45Å; C84-T87 PolarHBondContact O-N 2.88Å; T87-Y89 VanDerWaalsContact C-N 3.33Å; T87-Y89 PolarHBondContact O-N 3.22Å; T87-L90 PolarHBondContact O-N 3.42Å; T87-T91 VanDerWaalsContact O-CB 3.29Å; T87-T91 WeakPolarHBondContact O-CB 3.48Å; T87-T91 PolarHBondContact O-N 2.92Å; T87-T91 PolarHBondContact O-OG1 3.19Å; T87-I106 HydrophobicContact CG2-CG2 3.94Å; T87-H186 WeakPolarHBondContact CB-NE2 3.32Å; T87-H186 VanDerWaalsContact CG2-NE2 3.26Å; T87-H186 WeakPolarHBondContact CG2-NE2 3.25Å; T87-H186 PolarHBondContact OG1-NE2 2.88Å
88	N	63.3	Low	62.9	Low	60 Å²	60	79.6 Å²	79.6	32%	0.321	39%	0.392	S	S	.	.	H	α-helix	trans	-61.2	-43.3	175.2	-75.6	-27.6	0	0	0	111.4	C84 K85 T91 D92	C84-N88 WeakPolarHBondContact O-CB 3.28Å; C84-N88 VanDerWaalsContact O-CG 3.3Å; C84-N88 PolarHBondContact O-N 2.91Å; C84-N88 PolarHBondContact O-ND2 3.5Å; K85-N88 PolarHBondContact O-N 3.05Å; N88-T91 PolarHBondContact O-N 3.42Å; N88-D92 PolarHBondContact O-N 2.99Å
89	Y	63	Low	62.9	Low	150 Å²	150	79.2 Å²	79.2	59%	0.588	38%	0.383	S	S	*	.	H	α-helix	trans	-62.4	-47.8	176.5	175.6	-96.4	0	0	0	112.2	K85 F86 T87 T91 D92 Y93	K85-Y89 WeakPolarHBondContact O-CB 3.34Å; K85-Y89 PolarHBondContact O-N 2.93Å; F86-Y89 PolarHBondContact O-N 3.49Å; T87-Y89 VanDerWaalsContact C-N 3.33Å; T87-Y89 PolarHBondContact O-N 3.22Å; Y89-T91 VanDerWaalsContact C-N 3.32Å; Y89-T91 PolarHBondContact O-N 3.25Å; Y89-D92 PolarHBondContact O-N 3.4Å; Y89-Y93 VanDerWaalsContact O-CB 3.3Å; Y89-Y93 WeakPolarHBondContact O-CB 3.4Å; Y89-Y93 PolarHBondContact O-N 3.47Å
90	L	62.6	Low	62.7	Low	42 Å²	42	80.2 Å²	80.2	22%	0.22	40%	0.395	C	S	.	.	H	α-helix	trans	-62.7	-39.4	176.4	-78	178	0	0	0	112	F86 T87 Y93 C94 I106	F86-L90 HydrophobicContact CD1-CD1 3.74Å; F86-L90 HydrophobicContact CD1-CG 4.37Å; F86-L90 HydrophobicContact CE1-CD1 3.2Å; F86-L90 HydrophobicContact CE1-CG 4.01Å; F86-L90 HydrophobicContact CE2-CD1 4.34Å; F86-L90 HydrophobicContact CE2-CG 4.31Å; F86-L90 HydrophobicContact CZ-CD1 3.55Å; F86-L90 HydrophobicContact CZ-CD2 4.3Å; F86-L90 HydrophobicContact CZ-CG 3.97Å; F86-L90 PolarHBondContact O-N 3.41Å; T87-L90 PolarHBondContact O-N 3.42Å; L90-Y93 PolarHBondContact O-N 3.19Å; L90-C94 WeakPolarHBondContact O-CB 3.17Å; L90-C94 PolarHBondContact O-N 2.71Å; L90-C94 PolarHBondContact O-SG 3.43Å; L90-C94 VanDerWaalsContact O-SG 3.32Å; L90-I106 HydrophobicContact CB-CD1 4.04Å; L90-I106 HydrophobicContact CD1-CD1 4.34Å; L90-I106 HydrophobicContact CD1-CG1 4.41Å; L90-I106 HydrophobicContact CD1-CG2 4.03Å
91	T	63.1	Low	62.2	Low	30 Å²	30	87.8 Å²	87.8	18%	0.184	43%	0.428	C	S	.	.	H	α-helix	trans	-62.8	-47.8	178	-56.8	0	0	0	0	110.6	T87 N88 Y89 Y93 Y95 L103	T87-T91 VanDerWaalsContact O-CB 3.29Å; T87-T91 WeakPolarHBondContact O-CB 3.48Å; T87-T91 PolarHBondContact O-N 2.92Å; T87-T91 PolarHBondContact O-OG1 3.19Å; N88-T91 PolarHBondContact O-N 3.42Å; Y89-T91 VanDerWaalsContact C-N 3.32Å; Y89-T91 PolarHBondContact O-N 3.25Å; T91-Y93 VanDerWaalsContact C-N 3.34Å; T91-Y93 PolarHBondContact O-N 2.89Å; T91-Y95 VanDerWaalsContact O-CB 3.24Å; T91-Y95 WeakPolarHBondContact O-CB 3.26Å; T91-Y95 PolarHBondContact O-N 2.91Å; T91-L103 HydrophobicContact CG2-CD1 4.25Å
92	D	66.5	Low	61.8	Low	71 Å²	71	89.1 Å²	89.1	38%	0.38	43%	0.432	S	S	.	.	H	α-helix	trans	-62.6	-41.4	175.9	-173.7	36.9	0	0	0	111.3	N88 Y89 Y95 R96	N88-D92 PolarHBondContact O-N 2.99Å; Y89-D92 PolarHBondContact O-N 3.4Å; D92-Y95 PolarHBondContact O-N 3.37Å; D92-R96 WeakPolarHBondContact O-CB 3.48Å; D92-R96 VanDerWaalsContact O-CG 3.27Å; D92-R96 WeakPolarHBondContact O-CG 3.36Å; D92-R96 PolarHBondContact O-N 2.84Å; D92-R96 IonicContact OD1-CZ 3.76Å; D92-R96 IonicContact OD1-NE 3.05Å; D92-R96 PolarHBondContact OD1-NE 3.2Å; D92-R96 IonicContact OD1-NH2 2.79Å; D92-R96 IonicContact OD2-CZ 3.27Å; D92-R96 VanDerWaalsContact OD2-CZ 3.27Å; D92-R96 IonicContact OD2-NE 3.17Å; D92-R96 PolarHBondContact OD2-NE 2.96Å; D92-R96 IonicContact OD2-NH2 2.77Å; D92-R96 PolarHBondContact OD2-NH2 2.86Å
93	Y	62.9	Low	61.4	Low	88 Å²	88	87.7 Å²	87.7	35%	0.345	42%	0.418	S	S	.	.	H	α-helix	trans	-60.8	-50.4	177.5	-178.5	-93.6	0	0	0	112.9	Y89 L90 T91 R96 R97	Y89-Y93 VanDerWaalsContact O-CB 3.3Å; Y89-Y93 WeakPolarHBondContact O-CB 3.4Å; Y89-Y93 PolarHBondContact O-N 3.47Å; L90-Y93 PolarHBondContact O-N 3.19Å; T91-Y93 VanDerWaalsContact C-N 3.34Å; T91-Y93 PolarHBondContact O-N 2.89Å; Y93-R96 PolarHBondContact O-N 3.46Å; Y93-R97 VanDerWaalsContact CZ-CZ 3.46Å; Y93-R97 PolarHBondContact O-N 2.91Å; Y93-R97 VanDerWaalsContact O-N 3.11Å; Y93-R97 PolarHBondContact OH-NE 3.3Å; Y93-R97 PolarHBondContact OH-NH1 3.27Å; Y93-R97 PolarHBondContact OH-NH2 3.41Å
94	C	64.8	Low	61.1	Low	4 Å²	4	92.9 Å²	92.9	3%	0.027	44%	0.442	C	S	.	.	H	α-helix	trans	-68.9	-35.5	179.5	-69.3	0	0	0	0	111.7	L90 R97 G98 T99 L103	L90-C94 WeakPolarHBondContact O-CB 3.17Å; L90-C94 PolarHBondContact O-N 2.71Å; L90-C94 PolarHBondContact O-SG 3.43Å; L90-C94 VanDerWaalsContact O-SG 3.32Å; C94-R97 PolarHBondContact O-N 3.04Å; C94-G98 PolarHBondContact O-N 2.77Å; C94-G98 VanDerWaalsContact O-N 3.09Å; C94-T99 PolarHBondContact O-N 3.32Å; C94-L103 HydrophobicContact CB-CD1 3.22Å
95	Y	65	Low	61	Low	189 Å²	189	96.1 Å²	96.1	74%	0.741	46%	0.458	S	S	*	.	H	α-helix	trans	-60.5	-45.5	173.4	-172.7	-97.5	0	0	0	111.3	T91 D92 R97 G98	T91-Y95 VanDerWaalsContact O-CB 3.24Å; T91-Y95 WeakPolarHBondContact O-CB 3.26Å; T91-Y95 PolarHBondContact O-N 2.91Å; D92-Y95 PolarHBondContact O-N 3.37Å; Y95-R97 VanDerWaalsContact C-N 3.32Å; Y95-R97 PolarHBondContact O-N 2.9Å; Y95-G98 PolarHBondContact O-N 3.34Å
96	R	69.4	Low	60.8	Low	189 Å²	189	89.5 Å²	89.5	71%	0.713	43%	0.43	S	S	*	.	H	α-helix	trans	-67.6	-28.5	177.5	-70.5	177.9	-167.4	-153.7	9.1	113.9	D92 Y93	D92-R96 WeakPolarHBondContact O-CB 3.48Å; D92-R96 VanDerWaalsContact O-CG 3.27Å; D92-R96 WeakPolarHBondContact O-CG 3.36Å; D92-R96 PolarHBondContact O-N 2.84Å; D92-R96 IonicContact OD1-CZ 3.76Å; D92-R96 IonicContact OD1-NE 3.05Å; D92-R96 PolarHBondContact OD1-NE 3.2Å; D92-R96 IonicContact OD1-NH2 2.79Å; D92-R96 IonicContact OD2-CZ 3.27Å; D92-R96 VanDerWaalsContact OD2-CZ 3.27Å; D92-R96 IonicContact OD2-NE 3.17Å; D92-R96 PolarHBondContact OD2-NE 2.96Å; D92-R96 IonicContact OD2-NH2 2.77Å; D92-R96 PolarHBondContact OD2-NH2 2.86Å; Y93-R96 PolarHBondContact O-N 3.46Å
97	R	66.9	Low	60.6	Low	166 Å²	166	84.4 Å²	84.4	63%	0.626	41%	0.409	S	S	*	.	H	α-helix	trans	-93.8	-0.8	-179.3	-72.3	-164.3	172.5	-161.9	-0.4	114.5	Y93 C94 Y95 T99	Y93-R97 VanDerWaalsContact CZ-CZ 3.46Å; Y93-R97 PolarHBondContact O-N 2.91Å; Y93-R97 VanDerWaalsContact O-N 3.11Å; Y93-R97 PolarHBondContact OH-NE 3.3Å; Y93-R97 PolarHBondContact OH-NH1 3.27Å; Y93-R97 PolarHBondContact OH-NH2 3.41Å; C94-R97 PolarHBondContact O-N 3.04Å; Y95-R97 VanDerWaalsContact C-N 3.32Å; Y95-R97 PolarHBondContact O-N 2.9Å; R97-T99 HydrophobicContact CB-CG2 4.47Å; R97-T99 PolarHBondContact O-N 3.05Å
98	G	57.2	Low	60.6	Low	66 Å²	66	87.2 Å²	87.2	68%	0.68	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.2	17.4	178.9	0	0	0	0	0	114.3	C94 Y95 A100	C94-G98 PolarHBondContact O-N 2.77Å; C94-G98 VanDerWaalsContact O-N 3.09Å; Y95-G98 PolarHBondContact O-N 3.34Å; G98-A100 VanDerWaalsContact C-N 3.34Å; G98-A100 PolarHBondContact O-N 3.18Å; G98-A100 VanDerWaalsContact O-N 3.15Å
99	T	58.8	Low	60.6	Low	50 Å²	50	88.4 Å²	88.4	31%	0.307	44%	0.435	S	S	.	.			trans	-90.5	66.4	-178.4	54.1	0	0	0	0	111.2	C94 R97 F101 E102	C94-T99 PolarHBondContact O-N 3.32Å; R97-T99 HydrophobicContact CB-CG2 4.47Å; R97-T99 PolarHBondContact O-N 3.05Å; T99-F101 PolarHBondContact O-N 3.27Å; T99-F101 VanDerWaalsContact O-N 3.16Å; T99-E102 PolarHBondContact O-N 3.39Å
100	A	54.5	Low	60.6	Low	72 Å²	72	82 Å²	82	60%	0.595	41%	0.412	S	S	*	.	H	α-helix	trans	-59.5	-26.4	-178.5	0	0	0	0	0	113.9	G98 L103	G98-A100 VanDerWaalsContact C-N 3.34Å; G98-A100 PolarHBondContact O-N 3.18Å; G98-A100 VanDerWaalsContact O-N 3.15Å; A100-L103 WeakPolarHBondContact O-CB 3.49Å; A100-L103 PolarHBondContact O-N 3.12Å
101	F	50.5	Low	60.6	Low	169 Å²	169	80.1 Å²	80.1	74%	0.741	40%	0.402	S	S	*	.	H	α-helix	trans	-73.9	-31.6	-179.1	-158.1	-95.3	0	0	0	113.1	T99 L103	T99-F101 PolarHBondContact O-N 3.27Å; T99-F101 VanDerWaalsContact O-N 3.16Å; F101-L103 VanDerWaalsContact C-N 3.33Å
102	E	54.2	Low	60.7	Low	116 Å²	116	82.1 Å²	82.1	54%	0.542	41%	0.414	S	S	.	.	H	α-helix	trans	-77.8	-23.8	175.7	-66	-170.3	158.9	0	0	111.9	T99 Q104 N105 I106	T99-E102 PolarHBondContact O-N 3.39Å; E102-Q104 VanDerWaalsContact C-N 3.27Å; E102-Q104 PolarHBondContact O-N 3.19Å; E102-N105 PolarHBondContact O-N 3.48Å; E102-I106 WeakPolarHBondContact O-CG1 3.22Å
103	L	53.6	Low	60.6	Low	47 Å²	47	82.8 Å²	82.8	25%	0.246	42%	0.417	C	S	.	.	H	α-helix	trans	-64.3	-28.9	-178.5	-145.5	79.6	0	0	0	113.4	T91 C94 A100 F101 P107	T91-L103 HydrophobicContact CG2-CD1 4.25Å; C94-L103 HydrophobicContact CB-CD1 3.22Å; A100-L103 WeakPolarHBondContact O-CB 3.49Å; A100-L103 PolarHBondContact O-N 3.12Å; F101-L103 VanDerWaalsContact C-N 3.33Å; L103-P107 WeakPolarHBondContact O-CD 3.25Å
104	Q	55.9	Low	60.7	Low	133 Å²	133	79.1 Å²	79.1	62%	0.621	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-28.8	-177	-69	-175.9	-8.8	0	0	113.2	E102 P107	E102-Q104 VanDerWaalsContact C-N 3.27Å; E102-Q104 PolarHBondContact O-N 3.19Å; Q104-P107 WeakPolarHBondContact O-CD 3.42Å; Q104-P107 WeakPolarHBondContact O-CG 3.45Å
105	N	60.1	Low	60.7	Low	90 Å²	90	81.1 Å²	81.1	48%	0.481	41%	0.413	S	S	.	.	H	α-helix	trans	-84.3	-29.4	-175.9	-69.4	-29.5	0	0	0	112.8	E102 I108 C109	E102-N105 PolarHBondContact O-N 3.48Å; N105-I108 PolarHBondContact O-N 2.99Å; N105-C109 PolarHBondContact O-N 2.85Å; N105-C109 PolarHBondContact O-SG 2.97Å; N105-C109 VanDerWaalsContact O-SG 3.34Å
106	I	59.5	Low	60.9	Low	27 Å²	27	75.9 Å²	75.9	14%	0.138	40%	0.401	C	S	.	.	H	α-helix	trans	-54.9	-53.2	179.3	-63.1	161.2	0	0	0	112.4	T87 L90 E102 I108 C109 T110	T87-I106 HydrophobicContact CG2-CG2 3.94Å; L90-I106 HydrophobicContact CB-CD1 4.04Å; L90-I106 HydrophobicContact CD1-CD1 4.34Å; L90-I106 HydrophobicContact CD1-CG1 4.41Å; L90-I106 HydrophobicContact CD1-CG2 4.03Å; E102-I106 WeakPolarHBondContact O-CG1 3.22Å; I106-I108 VanDerWaalsContact C-N 3.28Å; I106-I108 PolarHBondContact O-N 3.44Å; I106-C109 PolarHBondContact O-N 3.41Å; I106-T110 WeakPolarHBondContact O-CG2 3.25Å; I106-T110 PolarHBondContact O-N 2.94Å; I106-T110 PolarHBondContact O-OG1 3Å; I106-T110 VanDerWaalsContact O-OG1 3.14Å
107	P	58.7	Low	60.8	Low	10 Å²	10	68.7 Å²	68.7	7%	0.065	38%	0.378	C	S	.	.	H	α-helix	trans	-63.8	-33.6	-178.5	24.1	-34.1	0	0	0	112.7	L103 Q104 T110 A111 P182	L103-P107 WeakPolarHBondContact O-CD 3.25Å; Q104-P107 WeakPolarHBondContact O-CD 3.42Å; Q104-P107 WeakPolarHBondContact O-CG 3.45Å; P107-T110 VanDerWaalsContact CA-OG1 3.31Å; P107-T110 WeakPolarHBondContact CA-OG1 2.95Å; P107-T110 PolarHBondContact O-OG1 3.45Å; P107-A111 VanDerWaalsContact O-CB 3.25Å; P107-A111 WeakPolarHBondContact O-CB 3.1Å; P107-A111 PolarHBondContact O-N 3.48Å; P107-P182 HydrophobicContact CG-CB 4.5Å
108	I	61.9	Low	60.8	Low	63 Å²	63	62.1 Å²	62.1	32%	0.323	36%	0.359	S	S	.	.	H	α-helix	trans	-67.9	-50	178.7	-59.6	172.7	0	0	0	109.8	N105 I106 T110 A111 V112 L172	N105-I108 PolarHBondContact O-N 2.99Å; I106-I108 VanDerWaalsContact C-N 3.28Å; I106-I108 PolarHBondContact O-N 3.44Å; I108-T110 VanDerWaalsContact C-N 3.29Å; I108-T110 PolarHBondContact O-N 3.06Å; I108-A111 PolarHBondContact O-N 2.85Å; I108-V112 HydrophobicContact CG2-CG2 4.42Å; I108-V112 VanDerWaalsContact O-CG2 3.3Å; I108-V112 WeakPolarHBondContact O-CG2 2.98Å; I108-V112 PolarHBondContact O-N 3.18Å; I108-L172 HydrophobicContact CG2-CD2 4.49Å
109	C	63.7	Low	61.4	Low	85 Å²	85	61.7 Å²	61.7	57%	0.574	35%	0.345	S	S	*	.	H	α-helix	trans	-59.2	-41	177.8	-68	0	0	0	0	111.8	N105 I106 L113	N105-C109 PolarHBondContact O-N 2.85Å; N105-C109 PolarHBondContact O-SG 2.97Å; N105-C109 VanDerWaalsContact O-SG 3.34Å; I106-C109 PolarHBondContact O-N 3.41Å; C109-L113 WeakPolarHBondContact O-CB 3.48Å; C109-L113 PolarHBondContact O-N 3.39Å
110	T	63.3	Low	61.9	Low	15 Å²	15	63 Å²	63	9%	0.092	35%	0.353	C	S	.	.	H	α-helix	trans	-67.5	-43	177.9	53.9	0	0	0	0	112.1	I106 P107 I108 V112 L113 Q114	I106-T110 WeakPolarHBondContact O-CG2 3.25Å; I106-T110 PolarHBondContact O-N 2.94Å; I106-T110 PolarHBondContact O-OG1 3Å; I106-T110 VanDerWaalsContact O-OG1 3.14Å; P107-T110 VanDerWaalsContact CA-OG1 3.31Å; P107-T110 WeakPolarHBondContact CA-OG1 2.95Å; P107-T110 PolarHBondContact O-OG1 3.45Å; I108-T110 VanDerWaalsContact C-N 3.29Å; I108-T110 PolarHBondContact O-N 3.06Å; T110-V112 PolarHBondContact O-N 3.45Å; T110-L113 PolarHBondContact O-N 3.4Å; T110-Q114 VanDerWaalsContact O-CG 3.26Å; T110-Q114 WeakPolarHBondContact O-CG 3.49Å; T110-Q114 PolarHBondContact O-N 3.46Å; T110-Q114 PolarHBondContact O-OE1 3.32Å
111	A	62.8	Low	62.5	Low	2 Å²	2	60 Å²	60	2%	0.017	33%	0.327	C	S	.	.	H	α-helix	trans	-69.6	-34.4	-179.9	0	0	0	0	0	112.3	P107 I108 Q114 L115 L172	P107-A111 VanDerWaalsContact O-CB 3.25Å; P107-A111 WeakPolarHBondContact O-CB 3.1Å; P107-A111 PolarHBondContact O-N 3.48Å; I108-A111 PolarHBondContact O-N 2.85Å; A111-Q114 PolarHBondContact O-N 2.9Å; A111-L115 WeakPolarHBondContact O-CB 2.98Å; A111-L115 PolarHBondContact O-N 3.33Å; A111-L172 HydrophobicContact CB-CD1 4.08Å; A111-L172 HydrophobicContact CB-CD2 3.37Å; A111-L172 HydrophobicContact CB-CG 3.64Å
112	V	64.8	Low	63.3	Low	72 Å²	72	53.1 Å²	53.1	44%	0.436	30%	0.297	S	S	.	.	H	α-helix	trans	-63.6	-44.2	170.2	172.8	0	0	0	0	110.9	I108 T110 Q114 L115 V116	I108-V112 HydrophobicContact CG2-CG2 4.42Å; I108-V112 VanDerWaalsContact O-CG2 3.3Å; I108-V112 WeakPolarHBondContact O-CG2 2.98Å; I108-V112 PolarHBondContact O-N 3.18Å; T110-V112 PolarHBondContact O-N 3.45Å; V112-Q114 PolarHBondContact O-N 2.89Å; V112-L115 WeakPolarHBondContact O-CB 3.25Å; V112-L115 PolarHBondContact O-N 3.16Å; V112-V116 WeakPolarHBondContact O-CG2 3.31Å; V112-V116 PolarHBondContact O-N 3Å
113	L	65	Low	64.2	Low	86 Å²	86	53.2 Å²	53.2	45%	0.45	30%	0.301	S	S	.	.	H	α-helix	trans	-63.2	-42.2	177	-175.4	63.3	0	0	0	111.6	C109 T110 L115 V116 V117	C109-L113 WeakPolarHBondContact O-CB 3.48Å; C109-L113 PolarHBondContact O-N 3.39Å; T110-L113 PolarHBondContact O-N 3.4Å; L113-L115 VanDerWaalsContact C-N 3.34Å; L113-L115 PolarHBondContact O-N 3.47Å; L113-V116 PolarHBondContact O-N 3.4Å; L113-V117 VanDerWaalsContact O-CG2 3.32Å; L113-V117 WeakPolarHBondContact O-CG2 3.38Å; L113-V117 PolarHBondContact O-N 3.43Å
114	Q	64.9	Low	64.9	Low	10 Å²	10	53.4 Å²	53.4	5%	0.047	31%	0.305	C	S	.	.	H	α-helix	trans	-61	-42	174.6	-71.5	172.2	-79.3	0	0	111.7	L80 T110 A111 V112 V116 V117 A118 W190	L80-Q114 HydrophobicContact CD2-CG 3.86Å; T110-Q114 VanDerWaalsContact O-CG 3.26Å; T110-Q114 WeakPolarHBondContact O-CG 3.49Å; T110-Q114 PolarHBondContact O-N 3.46Å; T110-Q114 PolarHBondContact O-OE1 3.32Å; A111-Q114 PolarHBondContact O-N 2.9Å; V112-Q114 PolarHBondContact O-N 2.89Å; Q114-V116 PolarHBondContact O-N 3.38Å; Q114-V117 PolarHBondContact O-N 2.92Å; Q114-A118 WeakPolarHBondContact O-CB 3.34Å; Q114-A118 PolarHBondContact O-N 3.4Å; Q114-W190 HydrophobicContact CG-CH2 3.77Å; Q114-W190 HydrophobicContact CG-CZ3 4.22Å
115	L	65	Low	65.4	Low	46 Å²	46	47.4 Å²	47.4	24%	0.241	28%	0.277	C	S	.	.	H	α-helix	trans	-61.3	-44.2	175.9	-177	65	0	0	0	111.4	A111 V112 L113 V117 A118 C119 T165 I169	A111-L115 WeakPolarHBondContact O-CB 2.98Å; A111-L115 PolarHBondContact O-N 3.33Å; V112-L115 WeakPolarHBondContact O-CB 3.25Å; V112-L115 PolarHBondContact O-N 3.16Å; L113-L115 VanDerWaalsContact C-N 3.34Å; L113-L115 PolarHBondContact O-N 3.47Å; L115-V117 PolarHBondContact O-N 2.9Å; L115-A118 PolarHBondContact O-N 3.27Å; L115-C119 WeakPolarHBondContact O-CB 3.49Å; L115-C119 PolarHBondContact O-N 3.44Å; L115-C119 PolarHBondContact O-SG 3.4Å; L115-T165 HydrophobicContact CD1-CG2 3.58Å; L115-I169 HydrophobicContact CD1-CD1 4.21Å; L115-I169 HydrophobicContact CD1-CG1 4.06Å
116	V	68.6	Low	65.8	Low	80 Å²	80	46.4 Å²	46.4	49%	0.485	27%	0.271	S	S	.	.	H	α-helix	trans	-61.2	-45.6	175.6	173	0	0	0	0	110.8	V112 L113 Q114 A118 C119 V120	V112-V116 WeakPolarHBondContact O-CG2 3.31Å; V112-V116 PolarHBondContact O-N 3Å; L113-V116 PolarHBondContact O-N 3.4Å; Q114-V116 PolarHBondContact O-N 3.38Å; V116-A118 PolarHBondContact O-N 2.86Å; V116-C119 PolarHBondContact O-N 2.95Å; V116-V120 HydrophobicContact CG1-CG2 4.46Å; V116-V120 WeakPolarHBondContact O-CG2 3.25Å; V116-V120 PolarHBondContact O-N 2.85Å
117	V	67.4	Low	66.2	Low	37 Å²	37	47.2 Å²	47.2	22%	0.224	28%	0.282	C	S	.	.	H	α-helix	trans	-61.9	-43.5	177.3	172.5	0	0	0	0	111.2	T76 L113 Q114 L115 V120 F121	T76-V117 HydrophobicContact CG2-CG1 3.9Å; L113-V117 VanDerWaalsContact O-CG2 3.32Å; L113-V117 WeakPolarHBondContact O-CG2 3.38Å; L113-V117 PolarHBondContact O-N 3.43Å; Q114-V117 PolarHBondContact O-N 2.92Å; L115-V117 PolarHBondContact O-N 2.9Å; V117-V120 PolarHBondContact O-N 3.24Å; V117-F121 WeakPolarHBondContact O-CB 3.28Å; V117-F121 PolarHBondContact O-N 2.86Å
118	A	67.1	Low	66.4	Low	28 Å²	28	47.1 Å²	47.1	23%	0.231	28%	0.282	C	S	.	.	H	α-helix	trans	-63.5	-40.9	177	0	0	0	0	0	112.1	Q114 L115 V116 F121 L122	Q114-A118 WeakPolarHBondContact O-CB 3.34Å; Q114-A118 PolarHBondContact O-N 3.4Å; L115-A118 PolarHBondContact O-N 3.27Å; V116-A118 PolarHBondContact O-N 2.86Å; A118-F121 WeakPolarHBondContact O-CB 3.44Å; A118-F121 PolarHBondContact O-N 3.37Å; A118-L122 WeakPolarHBondContact O-CB 3.34Å; A118-L122 WeakPolarHBondContact O-CG 3.48Å; A118-L122 PolarHBondContact O-N 3.45Å
119	C	68.5	Low	66.5	Low	57 Å²	57	48.1 Å²	48.1	39%	0.385	28%	0.281	S	S	.	.	H	α-helix	trans	-64.5	-47.5	175.5	-73.7	0	0	0	0	112	L115 V116 F121 L122 L123	L115-C119 WeakPolarHBondContact O-CB 3.49Å; L115-C119 PolarHBondContact O-N 3.44Å; L115-C119 PolarHBondContact O-SG 3.4Å; V116-C119 PolarHBondContact O-N 2.95Å; C119-F121 VanDerWaalsContact C-N 3.28Å; C119-F121 PolarHBondContact O-N 2.94Å; C119-L122 PolarHBondContact O-N 3.49Å; C119-L123 VanDerWaalsContact O-CG 3.31Å; C119-L123 WeakPolarHBondContact O-CG 3.45Å; C119-L123 PolarHBondContact O-N 2.85Å
120	V	69.9	Low	66.7	Low	79 Å²	79	50.1 Å²	50.1	48%	0.479	28%	0.283	S	S	.	.	H	α-helix	trans	-60	-43.4	176	172.3	0	0	0	0	110.2	V116 V117 L122 L123 C124	V116-V120 HydrophobicContact CG1-CG2 4.46Å; V116-V120 WeakPolarHBondContact O-CG2 3.25Å; V116-V120 PolarHBondContact O-N 2.85Å; V117-V120 PolarHBondContact O-N 3.24Å; V120-L122 PolarHBondContact O-N 3.46Å; V120-L123 PolarHBondContact O-N 2.89Å; V120-C124 WeakPolarHBondContact O-CB 3.45Å; V120-C124 PolarHBondContact O-N 2.9Å; V120-C124 PolarHBondContact O-SG 2.92Å
121	F	67.9	Low	66.7	Low	9 Å²	9	57.2 Å²	57.2	4%	0.039	31%	0.308	C	S	.	.	H	α-helix	trans	-57.8	-49.2	176	-179.7	-88.1	0	0	0	112	L72 P73 V117 A118 C119 L123 C124 W125 F157	L72-F121 HydrophobicContact CB-CD2 4.3Å; L72-F121 HydrophobicContact CB-CE2 3.79Å; L72-F121 HydrophobicContact CD2-CD2 3.38Å; L72-F121 HydrophobicContact CD2-CE2 3.4Å; L72-F121 HydrophobicContact CD2-CG 4.22Å; L72-F121 HydrophobicContact CD2-CZ 4.27Å; L72-F121 HydrophobicContact CG-CD2 3.43Å; L72-F121 VanDerWaalsContact CG-CD2 3.43Å; L72-F121 HydrophobicContact CG-CE2 3.41Å; L72-F121 VanDerWaalsContact CG-CE2 3.41Å; P73-F121 HydrophobicContact CG-CE2 4.08Å; P73-F121 HydrophobicContact CG-CZ 3.99Å; V117-F121 WeakPolarHBondContact O-CB 3.28Å; V117-F121 PolarHBondContact O-N 2.86Å; A118-F121 WeakPolarHBondContact O-CB 3.44Å; A118-F121 PolarHBondContact O-N 3.37Å; C119-F121 VanDerWaalsContact C-N 3.28Å; C119-F121 PolarHBondContact O-N 2.94Å; F121-L123 PolarHBondContact O-N 3.5Å; F121-C124 PolarHBondContact O-N 2.82Å; F121-W125 HydrophobicContact CZ-CE3 4.23Å; F121-W125 VanDerWaalsContact O-CB 3.29Å; F121-W125 WeakPolarHBondContact O-CB 3.48Å; F121-W125 PolarHBondContact O-N 2.93Å; F121-F157 HydrophobicContact CE1-CD1 4.42Å; F121-F157 AromaticContact CE1-CE1 3.21Å; F121-F157 HydrophobicContact CE1-CE1 3.21Å; F121-F157 AromaticContact CE1-CZ 3.32Å; F121-F157 HydrophobicContact CE1-CZ 3.32Å; F121-F157 AromaticContact CZ-CE1 3.3Å; F121-F157 HydrophobicContact CZ-CE1 3.3Å; F121-F157 AromaticContact CZ-CZ 3.27Å; F121-F157 HydrophobicContact CZ-CZ 3.27Å
122	L	67.4	Low	66.5	Low	23 Å²	23	58 Å²	58	12%	0.12	31%	0.312	C	S	.	.	H	α-helix	trans	-62	-40.2	176.8	-76.3	171	0	0	0	112.2	A118 C119 V120 W125 I126 F158	A118-L122 WeakPolarHBondContact O-CB 3.34Å; A118-L122 WeakPolarHBondContact O-CG 3.48Å; A118-L122 PolarHBondContact O-N 3.45Å; C119-L122 PolarHBondContact O-N 3.49Å; V120-L122 PolarHBondContact O-N 3.46Å; L122-W125 WeakPolarHBondContact O-CB 3.28Å; L122-W125 PolarHBondContact O-N 3.28Å; L122-I126 WeakPolarHBondContact O-CD1 3.08Å; L122-I126 WeakPolarHBondContact O-CG1 3.26Å; L122-I126 PolarHBondContact O-N 3.4Å; L122-F158 HydrophobicContact CD2-CD2 3.9Å; L122-F158 HydrophobicContact CD2-CE2 4.14Å
123	L	71.5	Confident	66.2	Low	118 Å²	118	57.2 Å²	57.2	62%	0.618	31%	0.309	S	S	*	.	H	α-helix	trans	-65.7	-45.8	176.9	-71.2	171.9	0	0	0	111.7	C119 V120 F121 W125 I126 A127	C119-L123 VanDerWaalsContact O-CG 3.31Å; C119-L123 WeakPolarHBondContact O-CG 3.45Å; C119-L123 PolarHBondContact O-N 2.85Å; V120-L123 PolarHBondContact O-N 2.89Å; F121-L123 PolarHBondContact O-N 3.5Å; L123-W125 VanDerWaalsContact C-N 3.26Å; L123-W125 PolarHBondContact O-N 3.3Å; L123-I126 PolarHBondContact O-N 3.38Å; L123-A127 WeakPolarHBondContact O-CB 3.42Å; L123-A127 PolarHBondContact O-N 3.25Å
124	C	68.6	Low	65.9	Low	51 Å²	51	56.7 Å²	56.7	35%	0.345	31%	0.313	S	S	.	.	H	α-helix	trans	-60.2	-39.6	173.8	-71.1	0	0	0	0	111.3	L72 V120 F121 A127 A128	L72-C124 HydrophobicContact CD2-CB 3.8Å; V120-C124 WeakPolarHBondContact O-CB 3.45Å; V120-C124 PolarHBondContact O-N 2.9Å; V120-C124 PolarHBondContact O-SG 2.92Å; F121-C124 PolarHBondContact O-N 2.82Å; C124-A127 PolarHBondContact O-N 2.85Å; C124-A128 VanDerWaalsContact O-CB 3.32Å; C124-A128 WeakPolarHBondContact O-CB 3.45Å; C124-A128 PolarHBondContact O-N 2.95Å
125	W	66.8	Low	65.3	Low	8 Å²	8	58.5 Å²	58.5	3%	0.03	32%	0.322	C	S	.	.	H	α-helix	trans	-61.7	-49.6	176.5	-170.9	-101.7	0	0	0	112.3	Q69 F121 L122 L123 A127 A128 W129 N154 F157 H204	Q69-W125 HydrophobicContact CB-CH2 3.84Å; Q69-W125 HydrophobicContact CB-CZ3 3.59Å; Q69-W125 HydrophobicContact CG-CE3 4.26Å; Q69-W125 HydrophobicContact CG-CH2 3.57Å; Q69-W125 HydrophobicContact CG-CZ3 3.4Å; Q69-W125 VanDerWaalsContact CG-CZ3 3.4Å; F121-W125 HydrophobicContact CZ-CE3 4.23Å; F121-W125 VanDerWaalsContact O-CB 3.29Å; F121-W125 WeakPolarHBondContact O-CB 3.48Å; F121-W125 PolarHBondContact O-N 2.93Å; L122-W125 WeakPolarHBondContact O-CB 3.28Å; L122-W125 PolarHBondContact O-N 3.28Å; L123-W125 VanDerWaalsContact C-N 3.26Å; L123-W125 PolarHBondContact O-N 3.3Å; W125-A127 VanDerWaalsContact C-N 3.33Å; W125-A127 PolarHBondContact O-N 3.29Å; W125-A128 PolarHBondContact O-N 3.04Å; W125-W129 WeakPolarHBondContact O-CB 3.2Å; W125-W129 PolarHBondContact O-N 3.41Å; W125-N154 HydrophobicContact CZ2-CB 3.93Å; W125-N154 WeakPolarHBondContact CZ2-ND2 3.44Å; W125-F157 AromaticContact CD2-CD1 3.84Å; W125-F157 HydrophobicContact CD2-CD1 3.84Å; W125-F157 AromaticContact CD2-CE1 3.88Å; W125-F157 HydrophobicContact CD2-CE1 3.88Å; W125-F157 AromaticContact CE2-CD1 3.6Å; W125-F157 HydrophobicContact CE3-CD1 4.08Å; W125-F157 AromaticContact CE3-CE1 3.75Å; W125-F157 HydrophobicContact CE3-CE1 3.75Å; W125-F157 HydrophobicContact CH2-CD1 4.13Å; W125-F157 HydrophobicContact CH2-CE1 4.35Å; W125-F157 AromaticContact CZ2-CD1 3.73Å; W125-F157 HydrophobicContact CZ2-CD1 3.73Å; W125-F157 HydrophobicContact CZ2-CE1 4.33Å; W125-F157 HydrophobicContact CZ3-CD1 4.2Å; W125-F157 AromaticContact CZ3-CE1 3.98Å; W125-F157 HydrophobicContact CZ3-CE1 3.98Å; W125-H204 AromaticContact CH2-CD2 3.7Å; W125-H204 AromaticContact CH2-CE1 2.95Å; W125-H204 WeakPolarHBondContact CH2-CE1 3.38Å; W125-H204 AromaticContact CH2-ND1 3.57Å; W125-H204 AromaticContact CH2-NE2 2.98Å; W125-H204 WeakPolarHBondContact CH2-NE2 3.42Å; W125-H204 AromaticContact CZ2-CE1 3.25Å; W125-H204 WeakPolarHBondContact CZ2-CE1 3.39Å; W125-H204 AromaticContact CZ2-NE2 3.42Å; W125-H204 WeakPolarHBondContact CZ2-NE2 3.26Å; W125-H204 AromaticContact CZ3-NE2 3.66Å
126	I	68.5	Low	64.7	Low	68 Å²	68	58.5 Å²	58.5	35%	0.349	32%	0.324	S	S	.	.	H	α-helix	trans	-62	-43	178	-68.1	162.5	0	0	0	110.3	L122 L123 W129 Q130	L122-I126 WeakPolarHBondContact O-CD1 3.08Å; L122-I126 WeakPolarHBondContact O-CG1 3.26Å; L122-I126 PolarHBondContact O-N 3.4Å; L123-I126 PolarHBondContact O-N 3.38Å; I126-W129 WeakPolarHBondContact O-CB 3.46Å; I126-W129 PolarHBondContact O-N 3.47Å; I126-Q130 HydrophobicContact CG2-CG 4.44Å; I126-Q130 WeakPolarHBondContact O-CB 3.48Å; I126-Q130 WeakPolarHBondContact O-CG 3.46Å; I126-Q130 PolarHBondContact O-N 3.31Å
127	A	67.9	Low	63.8	Low	44 Å²	44	62.3 Å²	62.3	36%	0.364	34%	0.337	S	S	.	.	H	α-helix	trans	-63.5	-41.8	177.1	0	0	0	0	0	112.2	L123 C124 W125 Q130 R131	L123-A127 WeakPolarHBondContact O-CB 3.42Å; L123-A127 PolarHBondContact O-N 3.25Å; C124-A127 PolarHBondContact O-N 2.85Å; W125-A127 VanDerWaalsContact C-N 3.33Å; W125-A127 PolarHBondContact O-N 3.29Å; A127-Q130 PolarHBondContact O-N 2.82Å; A127-R131 WeakPolarHBondContact O-CG 3.24Å; A127-R131 PolarHBondContact O-N 3.5Å; A127-R131 VanDerWaalsContact O-N 3.11Å
128	A	63.8	Low	63	Low	8 Å²	8	64.4 Å²	64.4	7%	0.066	36%	0.358	C	S	.	.	H	α-helix	trans	-62.6	-44.5	174.3	0	0	0	0	0	111.4	V65 Q69 C124 W125 R131 D132	V65-A128 HydrophobicContact CG1-CB 3.95Å; Q69-A128 HydrophobicContact CG-CB 4.47Å; C124-A128 VanDerWaalsContact O-CB 3.32Å; C124-A128 WeakPolarHBondContact O-CB 3.45Å; C124-A128 PolarHBondContact O-N 2.95Å; W125-A128 PolarHBondContact O-N 3.04Å; A128-R131 PolarHBondContact O-N 3.1Å; A128-D132 PolarHBondContact O-N 3.33Å
129	W	63.7	Low	62.2	Low	84 Å²	84	69 Å²	69	32%	0.318	38%	0.378	S	S	.	.	H	α-helix	trans	-62	-42.9	177.2	-179.9	-103.2	0	0	0	113.4	W125 I126 R131 D132 S133 G151 N154	W125-W129 WeakPolarHBondContact O-CB 3.2Å; W125-W129 PolarHBondContact O-N 3.41Å; I126-W129 WeakPolarHBondContact O-CB 3.46Å; I126-W129 PolarHBondContact O-N 3.47Å; W129-R131 VanDerWaalsContact C-N 3.32Å; W129-D132 PolarHBondContact O-N 3.48Å; W129-S133 WeakPolarHBondContact O-CB 3.47Å; W129-S133 PolarHBondContact O-N 3.46Å; W129-S133 PolarHBondContact O-OG 2.87Å; W129-G151 VanDerWaalsContact CH2-CA 3.48Å; W129-G151 WeakPolarHBondContact CH2-O 3.46Å; W129-N154 HydrophobicContact CD2-CB 4.33Å; W129-N154 HydrophobicContact CE3-CB 3.59Å; W129-N154 HydrophobicContact CH2-CB 3.34Å; W129-N154 HydrophobicContact CZ2-CB 4.25Å; W129-N154 HydrophobicContact CZ3-CB 3.06Å; W129-N154 WeakPolarHBondContact CZ3-ND2 3.32Å
130	Q	66.5	Low	61.5	Low	128 Å²	128	70.4 Å²	70.4	60%	0.598	39%	0.389	S	S	*	.	H	α-helix	trans	-64.5	-39	177.3	-75.8	-178.3	-14.9	0	0	111.5	I126 A127 S133 S134	I126-Q130 HydrophobicContact CG2-CG 4.44Å; I126-Q130 WeakPolarHBondContact O-CB 3.48Å; I126-Q130 WeakPolarHBondContact O-CG 3.46Å; I126-Q130 PolarHBondContact O-N 3.31Å; A127-Q130 PolarHBondContact O-N 2.82Å; Q130-S133 PolarHBondContact O-N 2.86Å; Q130-S134 PolarHBondContact O-N 3.41Å; Q130-S134 PolarHBondContact O-OG 2.9Å
131	R	63.5	Low	60.6	Low	163 Å²	163	74.7 Å²	74.7	62%	0.615	41%	0.408	S	S	*	.	H	α-helix	trans	-67.2	-42.4	175	-74.1	-179.6	-180	-178.4	0.9	112.7	A127 A128 W129 S133 S134 L135	A127-R131 WeakPolarHBondContact O-CG 3.24Å; A127-R131 PolarHBondContact O-N 3.5Å; A127-R131 VanDerWaalsContact O-N 3.11Å; A128-R131 PolarHBondContact O-N 3.1Å; W129-R131 VanDerWaalsContact C-N 3.32Å; R131-S133 VanDerWaalsContact C-N 3.3Å; R131-S133 PolarHBondContact O-N 3.18Å; R131-S134 PolarHBondContact O-N 2.9Å; R131-S134 PolarHBondContact O-OG 3.38Å; R131-L135 WeakPolarHBondContact O-CB 2.89Å; R131-L135 VanDerWaalsContact O-CG 3.28Å; R131-L135 WeakPolarHBondContact O-CG 3.17Å; R131-L135 PolarHBondContact O-N 2.84Å
132	D	59.4	Low	59.8	Low	20 Å²	20	76.6 Å²	76.6	11%	0.107	43%	0.426	C	S	.	.	H	α-helix	trans	-61.1	-42.5	174.1	-81.1	-20.6	0	0	0	110.6	V65 Q69 A128 W129 S134 L135 V136	V65-D132 WeakPolarHBondContact CG1-OD1 3.1Å; V65-D132 WeakPolarHBondContact CG1-OD2 3.25Å; Q69-D132 PolarHBondContact NE2-OD2 2.74Å; A128-D132 PolarHBondContact O-N 3.33Å; W129-D132 PolarHBondContact O-N 3.48Å; D132-S134 PolarHBondContact O-N 2.97Å; D132-L135 PolarHBondContact O-N 3.44Å; D132-V136 VanDerWaalsContact O-CB 3.31Å; D132-V136 WeakPolarHBondContact O-CB 3.31Å; D132-V136 WeakPolarHBondContact O-CG2 3.24Å; D132-V136 PolarHBondContact O-N 3.35Å
133	S	58.9	Low	59.2	Low	55 Å²	55	77.9 Å²	77.9	39%	0.385	43%	0.433	S	S	.	.	H	α-helix	trans	-62.6	-42	179	-60.2	0	0	0	0	112.6	W129 Q130 R131 Q137	W129-S133 WeakPolarHBondContact O-CB 3.47Å; W129-S133 PolarHBondContact O-N 3.46Å; W129-S133 PolarHBondContact O-OG 2.87Å; Q130-S133 PolarHBondContact O-N 2.86Å; R131-S133 VanDerWaalsContact C-N 3.3Å; R131-S133 PolarHBondContact O-N 3.18Å; S133-Q137 PolarHBondContact O-N 2.9Å
134	S	57.4	Low	58.6	Low	74 Å²	74	76.9 Å²	76.9	52%	0.517	43%	0.428	S	S	.	.	H	α-helix	trans	-71.5	-38	179.6	63.8	0	0	0	0	112.9	Q130 R131 D132 Q137	Q130-S134 PolarHBondContact O-N 3.41Å; Q130-S134 PolarHBondContact O-OG 2.9Å; R131-S134 PolarHBondContact O-N 2.9Å; R131-S134 PolarHBondContact O-OG 3.38Å; D132-S134 PolarHBondContact O-N 2.97Å; S134-Q137 PolarHBondContact O-N 2.94Å
135	L	53.9	Low	58.1	Low	48 Å²	48	78.9 Å²	78.9	25%	0.251	44%	0.442	S	S	.	.	H	α-helix	trans	-67.8	-37	176.3	-71.8	168.8	0	0	0	112.1	L61 T62 R131 D132 Q137 A138	L61-L135 HydrophobicContact CB-CD1 4.3Å; T62-L135 HydrophobicContact CG2-CD1 4.09Å; R131-L135 WeakPolarHBondContact O-CB 2.89Å; R131-L135 VanDerWaalsContact O-CG 3.28Å; R131-L135 WeakPolarHBondContact O-CG 3.17Å; R131-L135 PolarHBondContact O-N 2.84Å; D132-L135 PolarHBondContact O-N 3.44Å; L135-Q137 VanDerWaalsContact C-N 3.35Å; L135-A138 WeakPolarHBondContact O-CB 3.39Å; L135-A138 PolarHBondContact O-N 3.11Å
136	V	50.7	Low	57.5	Low	46 Å²	46	79.4 Å²	79.4	28%	0.279	45%	0.446	S	S	.	.	H	α-helix	trans	-73.5	-28.1	179.6	173.2	0	0	0	0	111.9	D132 A138 N139 R147	D132-V136 VanDerWaalsContact O-CB 3.31Å; D132-V136 WeakPolarHBondContact O-CB 3.31Å; D132-V136 WeakPolarHBondContact O-CG2 3.24Å; D132-V136 PolarHBondContact O-N 3.35Å; V136-A138 PolarHBondContact O-N 3.47Å; V136-N139 CarbonylContact O-C 3.47Å; V136-N139 PolarHBondContact O-N 3.21Å; V136-R147 VanDerWaalsContact CG1-CD 3.43Å; V136-R147 HydrophobicContact CG1-CG 3.93Å
137	Q	50.7	Low	57.1	Low	160 Å²	160	81.2 Å²	81.2	75%	0.748	45%	0.448	S	S	*	.	H	α-helix	trans	-66.6	-23.9	173.7	-166	155.8	-13.8	0	0	112.7	S133 S134 L135	S133-Q137 PolarHBondContact O-N 2.9Å; S134-Q137 PolarHBondContact O-N 2.94Å; L135-Q137 VanDerWaalsContact C-N 3.35Å
138	A	49.6	Very low	56.7	Low	81 Å²	81	88.1 Å²	88.1	67%	0.669	47%	0.465	S	S	*	.	H	α-helix	trans	-77.3	-24.7	173.4	0	0	0	0	0	113.4	L135 V136	L135-A138 WeakPolarHBondContact O-CB 3.39Å; L135-A138 PolarHBondContact O-N 3.11Å; V136-A138 PolarHBondContact O-N 3.47Å
139	N	52	Low	56.5	Low	124 Å²	124	89.8 Å²	89.8	66%	0.663	48%	0.479	S	S	*	.			trans	-117.2	70.8	-176.4	-73.9	-34.2	0	0	0	111.1	V136 L141	V136-N139 CarbonylContact O-C 3.47Å; V136-N139 PolarHBondContact O-N 3.21Å; N139-L141 PolarHBondContact O-N 3.26Å; N139-L141 VanDerWaalsContact O-N 3.17Å
140	S	51.9	Low	56.4	Low	87 Å²	87	87.1 Å²	87.1	61%	0.608	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-7.5	-173.9	64.5	0	0	0	0	115.6
141	L	52.1	Low	56.3	Low	169 Å²	169	82.2 Å²	82.2	89%	0.885	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.6	4	-162.9	-102.3	146	0	0	0	116.5	N139	N139-L141 PolarHBondContact O-N 3.26Å; N139-L141 VanDerWaalsContact O-N 3.17Å
142	A	50.3	Low	56.4	Low	49 Å²	49	79.3 Å²	79.3	41%	0.405	45%	0.45	S	S	.	.	S	Bend	trans	-142.2	111.4	-179.8	0	0	0	0	0	113.9
143	N	55.7	Low	56.6	Low	51 Å²	51	79.4 Å²	79.4	27%	0.273	45%	0.451	S	S	.	.			trans	75.9	67.4	160.9	-54.9	-47.8	0	0	0	118.8	S145 L146 R147 V214 Q218	N143-S145 PolarHBondContact O-N 2.99Å; N143-L146 HydrophobicContact CB-CB 3.75Å; N143-L146 PolarHBondContact O-N 3.4Å; N143-R147 WeakPolarHBondContact O-CG 3.37Å; N143-R147 PolarHBondContact O-N 2.93Å; N143-V214 WeakPolarHBondContact ND2-CG1 3.4Å; N143-Q218 PolarHBondContact ND2-NE2 3.26Å
144	D	58.2	Low	56.9	Low	97 Å²	97	77 Å²	77	52%	0.519	43%	0.434	S	S	.	.	H	α-helix	trans	-57.9	-30.7	166.9	-77.7	-24.3	0	0	0	114.3	R147 R148	D144-R147 PolarHBondContact O-N 3.23Å; D144-R147 IonicContact OD1-NH1 3.95Å; D144-R147 PolarHBondContact OD1-NH1 2.85Å; D144-R148 WeakPolarHBondContact O-CG 3.48Å; D144-R148 PolarHBondContact O-N 2.73Å
145	S	57.8	Low	57.2	Low	92 Å²	92	75.4 Å²	75.4	64%	0.643	43%	0.426	S	S	*	.	H	α-helix	trans	-67.8	-40.3	176.1	55.4	0	0	0	0	112.2	N143 R148 A149	N143-S145 PolarHBondContact O-N 2.99Å; S145-R148 PolarHBondContact O-N 3.4Å; S145-A149 PolarHBondContact O-N 2.88Å
146	L	55.5	Low	57.9	Low	19 Å²	19	79.2 Å²	79.2	10%	0.099	44%	0.44	C	S	.	.	H	α-helix	trans	-71.1	-37.7	177.1	-165.4	67.1	0	0	0	110.9	N143 R148 A149 D150 V210 F211 V214	N143-L146 HydrophobicContact CB-CB 3.75Å; N143-L146 PolarHBondContact O-N 3.4Å; L146-R148 VanDerWaalsContact C-N 3.34Å; L146-R148 PolarHBondContact O-N 3.27Å; L146-A149 PolarHBondContact O-N 3.4Å; L146-D150 PolarHBondContact O-N 3.18Å; L146-V210 HydrophobicContact CD1-CB 4.26Å; L146-V210 HydrophobicContact CD1-CG1 3.4Å; L146-F211 HydrophobicContact CD2-CB 4.31Å; L146-F211 HydrophobicContact CD2-CD2 3.81Å; L146-V214 HydrophobicContact CD2-CB 4.48Å; L146-V214 HydrophobicContact CD2-CG2 4.49Å
147	R	58.9	Low	58.6	Low	106 Å²	106	77.1 Å²	77.1	40%	0.4	43%	0.427	S	S	.	.	H	α-helix	trans	-59.8	-42.4	172	-72	174.1	66.5	179.4	16.6	112.4	V136 N143 D144 G151	V136-R147 VanDerWaalsContact CG1-CD 3.43Å; V136-R147 HydrophobicContact CG1-CG 3.93Å; N143-R147 WeakPolarHBondContact O-CG 3.37Å; N143-R147 PolarHBondContact O-N 2.93Å; D144-R147 PolarHBondContact O-N 3.23Å; D144-R147 IonicContact OD1-NH1 3.95Å; D144-R147 PolarHBondContact OD1-NH1 2.85Å; R147-G151 WeakPolarHBondContact O-CA 3.47Å; R147-G151 PolarHBondContact O-N 2.9Å
148	R	61.3	Low	59.3	Low	189 Å²	189	73 Å²	73	71%	0.713	41%	0.407	S	S	*	.	H	α-helix	trans	-65.9	-38.8	175.6	-74	178.7	-176.2	-167.8	2.1	111.7	D144 S145 L146 G151 I152	D144-R148 WeakPolarHBondContact O-CG 3.48Å; D144-R148 PolarHBondContact O-N 2.73Å; S145-R148 PolarHBondContact O-N 3.4Å; L146-R148 VanDerWaalsContact C-N 3.34Å; L146-R148 PolarHBondContact O-N 3.27Å; R148-G151 WeakPolarHBondContact O-CA 3.42Å; R148-G151 PolarHBondContact O-N 2.92Å; R148-I152 WeakPolarHBondContact O-CD1 3.33Å; R148-I152 VanDerWaalsContact O-CG1 3.28Å; R148-I152 WeakPolarHBondContact O-CG1 3.42Å; R148-I152 PolarHBondContact O-N 2.89Å
149	A	59.5	Low	60.1	Low	44 Å²	44	75.5 Å²	75.5	36%	0.364	40%	0.403	S	S	.	.	H	α-helix	trans	-64.9	-48.4	176.4	0	0	0	0	0	111.8	S145 L146 G151 I152 V153	S145-A149 PolarHBondContact O-N 2.88Å; L146-A149 PolarHBondContact O-N 3.4Å; A149-G151 VanDerWaalsContact C-N 3.27Å; A149-G151 PolarHBondContact O-N 3.24Å; A149-I152 PolarHBondContact O-N 2.66Å; A149-V153 WeakPolarHBondContact O-CB 3.23Å; A149-V153 VanDerWaalsContact O-CG2 3.26Å; A149-V153 WeakPolarHBondContact O-CG2 3.39Å; A149-V153 PolarHBondContact O-N 2.95Å
150	D	61.8	Low	60.7	Low	28 Å²	28	71.6 Å²	71.6	15%	0.15	38%	0.382	C	S	.	.	H	α-helix	trans	-59.9	-40	173.5	-81.7	9.5	0	0	0	111.3	K66 L146 V153 N154 S207	K66-D150 IonicContact NZ-OD1 3.55Å; K66-D150 IonicContact NZ-OD2 3.19Å; K66-D150 PolarHBondContact NZ-OD2 2.92Å; L146-D150 PolarHBondContact O-N 3.18Å; D150-V153 PolarHBondContact O-N 3.42Å; D150-N154 WeakPolarHBondContact O-CB 3.48Å; D150-N154 PolarHBondContact O-N 3.27Å; D150-N154 PolarHBondContact O-OD1 3.37Å; D150-S207 WeakPolarHBondContact OD1-CB 3.36Å
151	G	64.1	Low	61.4	Low	24 Å²	24	68.2 Å²	68.2	25%	0.247	36%	0.358	C	S	.	.	H	α-helix	trans	-37.8	-66.1	163.7	0	0	0	0	0	113.6	W129 R147 R148 A149 A155	W129-G151 VanDerWaalsContact CH2-CA 3.48Å; W129-G151 WeakPolarHBondContact CH2-O 3.46Å; R147-G151 WeakPolarHBondContact O-CA 3.47Å; R147-G151 PolarHBondContact O-N 2.9Å; R148-G151 WeakPolarHBondContact O-CA 3.42Å; R148-G151 PolarHBondContact O-N 2.92Å; A149-G151 VanDerWaalsContact C-N 3.27Å; A149-G151 PolarHBondContact O-N 3.24Å; G151-A155 WeakPolarHBondContact O-CB 3.38Å; G151-A155 PolarHBondContact O-N 3.31Å; G151-A155 VanDerWaalsContact O-N 3.16Å
152	I	65.2	Low	62.1	Low	102 Å²	102	63.2 Å²	63.2	52%	0.523	33%	0.332	S	S	.	.	H	α-helix	trans	-66.7	-43	-175.4	-67.3	162.1	0	0	0	110.6	R148 A149 N154 A155 F156	R148-I152 WeakPolarHBondContact O-CD1 3.33Å; R148-I152 VanDerWaalsContact O-CG1 3.28Å; R148-I152 WeakPolarHBondContact O-CG1 3.42Å; R148-I152 PolarHBondContact O-N 2.89Å; A149-I152 PolarHBondContact O-N 2.66Å; I152-N154 PolarHBondContact O-N 2.89Å; I152-A155 PolarHBondContact O-N 2.79Å; I152-F156 HydrophobicContact CG2-CD2 3.71Å; I152-F156 HydrophobicContact CG2-CE2 3.95Å; I152-F156 WeakPolarHBondContact O-CB 3.39Å; I152-F156 WeakPolarHBondContact O-CD2 3.37Å; I152-F156 PolarHBondContact O-N 3.46Å
153	V	63.8	Low	62.9	Low	23 Å²	23	65.6 Å²	65.6	14%	0.139	34%	0.338	C	S	.	.	H	α-helix	trans	-57.6	-49.7	-179.9	155.9	0	0	0	0	111.5	A149 D150 F156 F157 I203	A149-V153 WeakPolarHBondContact O-CB 3.23Å; A149-V153 VanDerWaalsContact O-CG2 3.26Å; A149-V153 WeakPolarHBondContact O-CG2 3.39Å; A149-V153 PolarHBondContact O-N 2.95Å; D150-V153 PolarHBondContact O-N 3.42Å; V153-F156 PolarHBondContact O-N 2.83Å; V153-F157 WeakPolarHBondContact O-CB 3.39Å; V153-F157 PolarHBondContact O-N 2.96Å; V153-I203 HydrophobicContact CB-CG2 3.72Å; V153-I203 HydrophobicContact CG1-CB 4.29Å; V153-I203 HydrophobicContact CG1-CG2 3.21Å; V153-I203 HydrophobicContact CG2-CG2 3.34Å
154	N	65	Low	63.4	Low	4 Å²	4	64 Å²	64	2%	0.021	33%	0.332	C	S	.	.	H	α-helix	trans	-73.4	-31.1	-177.2	-73.3	21.3	0	0	0	111.9	W125 W129 D150 I152 F158 H204	W125-N154 HydrophobicContact CZ2-CB 3.93Å; W125-N154 WeakPolarHBondContact CZ2-ND2 3.44Å; W129-N154 HydrophobicContact CD2-CB 4.33Å; W129-N154 HydrophobicContact CE3-CB 3.59Å; W129-N154 HydrophobicContact CH2-CB 3.34Å; W129-N154 HydrophobicContact CZ2-CB 4.25Å; W129-N154 HydrophobicContact CZ3-CB 3.06Å; W129-N154 WeakPolarHBondContact CZ3-ND2 3.32Å; D150-N154 WeakPolarHBondContact O-CB 3.48Å; D150-N154 PolarHBondContact O-N 3.27Å; D150-N154 PolarHBondContact O-OD1 3.37Å; I152-N154 PolarHBondContact O-N 2.89Å; N154-F158 WeakPolarHBondContact O-CB 3.43Å; N154-F158 PolarHBondContact O-N 3.35Å; N154-H204 PolarHBondContact OD1-CE1 3.28Å; N154-H204 VanDerWaalsContact OD1-CE1 3.3Å
155	A	63.9	Low	63.5	Low	41 Å²	41	60.1 Å²	60.1	34%	0.339	31%	0.312	S	S	.	.	H	α-helix	trans	-64	-47.5	170.5	0	0	0	0	0	111	G151 I152 F157 F158 F159	G151-A155 WeakPolarHBondContact O-CB 3.38Å; G151-A155 PolarHBondContact O-N 3.31Å; G151-A155 VanDerWaalsContact O-N 3.16Å; I152-A155 PolarHBondContact O-N 2.79Å; A155-F157 VanDerWaalsContact C-N 3.3Å; A155-F157 PolarHBondContact O-N 3.47Å; A155-F158 WeakPolarHBondContact O-CB 3.41Å; A155-F158 PolarHBondContact O-N 3.17Å; A155-F159 WeakPolarHBondContact O-CD2 3.45Å; A155-F159 PolarHBondContact O-N 2.98Å
156	F	67.1	Low	64	Low	128 Å²	128	60.4 Å²	60.4	56%	0.561	31%	0.305	S	S	*	.	H	α-helix	trans	-57	-45.8	175.4	-103.3	-82.8	0	0	0	111.7	I152 V153 F159 L160	I152-F156 HydrophobicContact CG2-CD2 3.71Å; I152-F156 HydrophobicContact CG2-CE2 3.95Å; I152-F156 WeakPolarHBondContact O-CB 3.39Å; I152-F156 WeakPolarHBondContact O-CD2 3.37Å; I152-F156 PolarHBondContact O-N 3.46Å; V153-F156 PolarHBondContact O-N 2.83Å; F156-F159 PolarHBondContact O-N 3.38Å; F156-L160 WeakPolarHBondContact O-CG 3.43Å; F156-L160 PolarHBondContact O-N 2.79Å
157	F	65.7	Low	64.4	Low	1 Å²	1	61.4 Å²	61.4	0%	0.004	31%	0.312	C	S	.	.	H	α-helix	trans	-63.6	-42.9	178.5	-175.5	-116.3	0	0	0	112.2	P73 F121 W125 V153 A155 F159 L160 S161 G200 H204	P73-F157 HydrophobicContact CG-CZ 4.22Å; F121-F157 HydrophobicContact CE1-CD1 4.42Å; F121-F157 AromaticContact CE1-CE1 3.21Å; F121-F157 HydrophobicContact CE1-CE1 3.21Å; F121-F157 AromaticContact CE1-CZ 3.32Å; F121-F157 HydrophobicContact CE1-CZ 3.32Å; F121-F157 AromaticContact CZ-CE1 3.3Å; F121-F157 HydrophobicContact CZ-CE1 3.3Å; F121-F157 AromaticContact CZ-CZ 3.27Å; F121-F157 HydrophobicContact CZ-CZ 3.27Å; W125-F157 AromaticContact CD2-CD1 3.84Å; W125-F157 HydrophobicContact CD2-CD1 3.84Å; W125-F157 AromaticContact CD2-CE1 3.88Å; W125-F157 HydrophobicContact CD2-CE1 3.88Å; W125-F157 AromaticContact CE2-CD1 3.6Å; W125-F157 HydrophobicContact CE3-CD1 4.08Å; W125-F157 AromaticContact CE3-CE1 3.75Å; W125-F157 HydrophobicContact CE3-CE1 3.75Å; W125-F157 HydrophobicContact CH2-CD1 4.13Å; W125-F157 HydrophobicContact CH2-CE1 4.35Å; W125-F157 AromaticContact CZ2-CD1 3.73Å; W125-F157 HydrophobicContact CZ2-CD1 3.73Å; W125-F157 HydrophobicContact CZ2-CE1 4.33Å; W125-F157 HydrophobicContact CZ3-CD1 4.2Å; W125-F157 AromaticContact CZ3-CE1 3.98Å; W125-F157 HydrophobicContact CZ3-CE1 3.98Å; V153-F157 WeakPolarHBondContact O-CB 3.39Å; V153-F157 PolarHBondContact O-N 2.96Å; A155-F157 VanDerWaalsContact C-N 3.3Å; A155-F157 PolarHBondContact O-N 3.47Å; F157-F159 VanDerWaalsContact C-N 3.34Å; F157-F159 PolarHBondContact O-N 3.42Å; F157-L160 PolarHBondContact O-N 3.17Å; F157-S161 PolarHBondContact O-N 2.9Å; F157-S161 PolarHBondContact O-OG 2.89Å; F157-G200 VanDerWaalsContact CE2-CA 3.49Å; F157-H204 AromaticContact CD1-NE2 3.63Å; F157-H204 AromaticContact CG-NE2 3.69Å
158	F	66.3	Low	64.6	Low	73 Å²	73	57.1 Å²	57.1	32%	0.32	30%	0.296	S	S	.	.	H	α-helix	trans	-57.1	-46.2	172.7	177.2	-95.5	0	0	0	112	L122 N154 A155 L160 S161 L162	L122-F158 HydrophobicContact CD2-CD2 3.9Å; L122-F158 HydrophobicContact CD2-CE2 4.14Å; N154-F158 WeakPolarHBondContact O-CB 3.43Å; N154-F158 PolarHBondContact O-N 3.35Å; A155-F158 WeakPolarHBondContact O-CB 3.41Å; A155-F158 PolarHBondContact O-N 3.17Å; F158-L160 PolarHBondContact O-N 2.94Å; F158-S161 PolarHBondContact O-N 2.97Å; F158-L162 HydrophobicContact CE1-CD2 4.2Å; F158-L162 VanDerWaalsContact O-CB 3.25Å; F158-L162 WeakPolarHBondContact O-CB 3.06Å; F158-L162 PolarHBondContact O-N 3.28Å
159	F	66	Low	64.7	Low	134 Å²	134	51.8 Å²	51.8	59%	0.588	28%	0.281	S	S	*	.	H	α-helix	trans	-62.9	-40	177.1	-77.2	-65	0	0	0	112.5	A155 F156 F157 L162 L163	A155-F159 WeakPolarHBondContact O-CD2 3.45Å; A155-F159 PolarHBondContact O-N 2.98Å; F156-F159 PolarHBondContact O-N 3.38Å; F157-F159 VanDerWaalsContact C-N 3.34Å; F157-F159 PolarHBondContact O-N 3.42Å; F159-L162 PolarHBondContact O-N 2.98Å; F159-L163 VanDerWaalsContact O-CB 3.25Å; F159-L163 WeakPolarHBondContact O-CB 3.39Å; F159-L163 PolarHBondContact O-N 3.47Å
160	L	65.6	Low	64.7	Low	43 Å²	43	51.4 Å²	51.4	23%	0.225	28%	0.281	C	S	.	.	H	α-helix	trans	-66	-42.9	176.7	-71.5	174.8	0	0	0	111.9	F156 F157 F158 L163 A164 V199	F156-L160 WeakPolarHBondContact O-CG 3.43Å; F156-L160 PolarHBondContact O-N 2.79Å; F157-L160 PolarHBondContact O-N 3.17Å; F158-L160 PolarHBondContact O-N 2.94Å; L160-L163 PolarHBondContact O-N 3.39Å; L160-A164 WeakPolarHBondContact O-CB 3.38Å; L160-A164 PolarHBondContact O-N 3.37Å; L160-V199 HydrophobicContact CD1-CG1 3.9Å
161	S	65.6	Low	64.5	Low	15 Å²	15	51 Å²	51	11%	0.105	28%	0.279	C	S	.	.	H	α-helix	trans	-67.1	-38.1	175.8	-63	0	0	0	0	112.5	F157 F158 A164 T165	F157-S161 PolarHBondContact O-N 2.9Å; F157-S161 PolarHBondContact O-OG 2.89Å; F158-S161 PolarHBondContact O-N 2.97Å; S161-A164 PolarHBondContact O-N 3.47Å; S161-T165 WeakPolarHBondContact O-CB 3.35Å; S161-T165 PolarHBondContact O-N 3.37Å; S161-T165 PolarHBondContact O-OG1 3.22Å
162	L	66.3	Low	64.3	Low	64 Å²	64	51.2 Å²	51.2	34%	0.335	27%	0.274	S	S	.	.	H	α-helix	trans	-65.6	-45.8	174.9	-177.4	66.6	0	0	0	110.7	F158 F159 A164 T165 I166	F158-L162 HydrophobicContact CE1-CD2 4.2Å; F158-L162 VanDerWaalsContact O-CB 3.25Å; F158-L162 WeakPolarHBondContact O-CB 3.06Å; F158-L162 PolarHBondContact O-N 3.28Å; F159-L162 PolarHBondContact O-N 2.98Å; L162-A164 VanDerWaalsContact C-N 3.34Å; L162-A164 PolarHBondContact O-N 3.27Å; L162-T165 WeakPolarHBondContact O-CB 3.32Å; L162-T165 PolarHBondContact O-N 3.42Å; L162-I166 HydrophobicContact CD1-CD1 4.45Å; L162-I166 HydrophobicContact CG-CD1 4.02Å; L162-I166 WeakPolarHBondContact O-CG1 3.46Å; L162-I166 PolarHBondContact O-N 3.4Å
163	L	68.8	Low	64.1	Low	99 Å²	99	50.3 Å²	50.3	52%	0.518	27%	0.273	S	S	.	.	H	α-helix	trans	-60.9	-44.6	177	-176.1	63.7	0	0	0	111	F159 L160 T165 I166 V167	F159-L163 VanDerWaalsContact O-CB 3.25Å; F159-L163 WeakPolarHBondContact O-CB 3.39Å; F159-L163 PolarHBondContact O-N 3.47Å; L160-L163 PolarHBondContact O-N 3.39Å; L163-T165 VanDerWaalsContact C-N 3.32Å; L163-T165 PolarHBondContact O-N 3.31Å; L163-I166 PolarHBondContact O-N 3.43Å; L163-V167 VanDerWaalsContact O-CG2 3.26Å; L163-V167 WeakPolarHBondContact O-CG2 3.42Å; L163-V167 PolarHBondContact O-N 2.86Å
164	A	65	Low	63.7	Low	18 Å²	18	54.7 Å²	54.7	15%	0.149	29%	0.29	C	S	.	.	H	α-helix	trans	-58	-45.5	174.2	0	0	0	0	0	111.4	L160 S161 L162 I166 V167 E168	L160-A164 WeakPolarHBondContact O-CB 3.38Å; L160-A164 PolarHBondContact O-N 3.37Å; S161-A164 PolarHBondContact O-N 3.47Å; L162-A164 VanDerWaalsContact C-N 3.34Å; L162-A164 PolarHBondContact O-N 3.27Å; A164-I166 PolarHBondContact O-N 2.92Å; A164-V167 PolarHBondContact O-N 3.49Å; A164-E168 WeakPolarHBondContact O-CG 3.25Å; A164-E168 PolarHBondContact O-N 3.27Å
165	T	61.4	Low	63.4	Low	16 Å²	16	55.8 Å²	55.8	10%	0.098	30%	0.295	C	S	.	.	H	α-helix	trans	-60.3	-44.9	176.3	-55.8	0	0	0	0	112.5	L115 S161 L162 L163 V167 E168 I169	L115-T165 HydrophobicContact CD1-CG2 3.58Å; S161-T165 WeakPolarHBondContact O-CB 3.35Å; S161-T165 PolarHBondContact O-N 3.37Å; S161-T165 PolarHBondContact O-OG1 3.22Å; L162-T165 WeakPolarHBondContact O-CB 3.32Å; L162-T165 PolarHBondContact O-N 3.42Å; L163-T165 VanDerWaalsContact C-N 3.32Å; L163-T165 PolarHBondContact O-N 3.31Å; T165-V167 VanDerWaalsContact C-N 3.33Å; T165-V167 PolarHBondContact O-N 2.87Å; T165-E168 PolarHBondContact O-N 3.35Å; T165-I169 HydrophobicContact CG2-CD1 3.95Å; T165-I169 VanDerWaalsContact O-CG1 3.31Å; T165-I169 WeakPolarHBondContact O-CG1 3.29Å; T165-I169 PolarHBondContact O-N 3.06Å
166	I	67.1	Low	63	Low	97 Å²	97	58 Å²	58	50%	0.497	31%	0.308	S	S	.	.	H	α-helix	trans	-63.1	-42.2	178.4	-69.7	167.3	0	0	0	110.6	L162 L163 A164 I169 G170	L162-I166 HydrophobicContact CD1-CD1 4.45Å; L162-I166 HydrophobicContact CG-CD1 4.02Å; L162-I166 WeakPolarHBondContact O-CG1 3.46Å; L162-I166 PolarHBondContact O-N 3.4Å; L163-I166 PolarHBondContact O-N 3.43Å; A164-I166 PolarHBondContact O-N 2.92Å; I166-I169 PolarHBondContact O-N 2.87Å; I166-G170 PolarHBondContact O-N 2.94Å
167	V	64.5	Low	62.6	Low	41 Å²	41	55.9 Å²	55.9	25%	0.248	31%	0.305	C	S	.	.	H	α-helix	trans	-64.3	-44.3	177.3	175.9	0	0	0	0	110.2	L163 A164 T165 I169 G170 M171 L189 L192	L163-V167 VanDerWaalsContact O-CG2 3.26Å; L163-V167 WeakPolarHBondContact O-CG2 3.42Å; L163-V167 PolarHBondContact O-N 2.86Å; A164-V167 PolarHBondContact O-N 3.49Å; T165-V167 VanDerWaalsContact C-N 3.33Å; T165-V167 PolarHBondContact O-N 2.87Å; V167-I169 PolarHBondContact O-N 2.85Å; V167-G170 PolarHBondContact O-N 3.46Å; V167-M171 HydrophobicContact CG1-CG 4.35Å; V167-M171 WeakPolarHBondContact O-CB 3.35Å; V167-M171 WeakPolarHBondContact O-CG 3.45Å; V167-M171 PolarHBondContact O-N 3.3Å; V167-L189 HydrophobicContact CG1-CD2 3.62Å; V167-L192 HydrophobicContact CB-CD2 4.46Å; V167-L192 HydrophobicContact CG1-CD2 4.05Å; V167-L192 HydrophobicContact CG2-CD2 4.39Å
168	E	63.6	Low	62	Low	15 Å²	15	59.1 Å²	59.1	7%	0.07	34%	0.339	C	S	.	.	H	α-helix	trans	-58	-46.5	174.7	-73.8	-69.4	172.8	0	0	112.1	A164 T165 M171 L172 L189	A164-E168 WeakPolarHBondContact O-CG 3.25Å; A164-E168 PolarHBondContact O-N 3.27Å; T165-E168 PolarHBondContact O-N 3.35Å; E168-M171 PolarHBondContact O-N 2.9Å; E168-L172 PolarHBondContact O-N 3.36Å; E168-L189 HydrophobicContact CG-CD2 4.43Å
169	I	61.7	Low	61.1	Low	78 Å²	78	64.6 Å²	64.6	40%	0.4	36%	0.359	S	S	.	.	H	α-helix	trans	-62.3	-47.2	176.5	-66.8	166.4	0	0	0	111	L115 T165 I166 V167 M171 L172 V173	L115-I169 HydrophobicContact CD1-CD1 4.21Å; L115-I169 HydrophobicContact CD1-CG1 4.06Å; T165-I169 HydrophobicContact CG2-CD1 3.95Å; T165-I169 VanDerWaalsContact O-CG1 3.31Å; T165-I169 WeakPolarHBondContact O-CG1 3.29Å; T165-I169 PolarHBondContact O-N 3.06Å; I166-I169 PolarHBondContact O-N 2.87Å; V167-I169 PolarHBondContact O-N 2.85Å; I169-M171 PolarHBondContact O-N 3.3Å; I169-L172 WeakPolarHBondContact O-CB 3.21Å; I169-L172 PolarHBondContact O-N 3.48Å; I169-V173 WeakPolarHBondContact O-CG2 3.44Å; I169-V173 PolarHBondContact O-N 2.95Å
170	G	60.2	Low	60.4	Low	36 Å²	36	59.4 Å²	59.4	37%	0.371	34%	0.339	S	S	.	.	H	α-helix	trans	-60.1	-33	178.6	0	0	0	0	0	112.3	I166 V167 K174	I166-G170 PolarHBondContact O-N 2.94Å; V167-G170 PolarHBondContact O-N 3.46Å; G170-K174 WeakPolarHBondContact O-CG 3.33Å; G170-K174 PolarHBondContact O-N 3.26Å; G170-K174 VanDerWaalsContact O-N 3.11Å
171	M	57.8	Low	59.9	Low	19 Å²	19	60.7 Å²	60.7	9%	0.094	35%	0.351	C	S	.	.	H	α-helix	trans	-79.4	-37.4	177.1	-67.3	-58.9	-67	0	0	112.9	V167 E168 I169 V173 K174 F175 H185 L189	V167-M171 HydrophobicContact CG1-CG 4.35Å; V167-M171 WeakPolarHBondContact O-CB 3.35Å; V167-M171 WeakPolarHBondContact O-CG 3.45Å; V167-M171 PolarHBondContact O-N 3.3Å; E168-M171 PolarHBondContact O-N 2.9Å; I169-M171 PolarHBondContact O-N 3.3Å; M171-V173 PolarHBondContact O-N 3.47Å; M171-K174 CarbonylContact O-C 3.59Å; M171-K174 PolarHBondContact O-N 3.5Å; M171-K174 HydrophobicContact SD-CD 3.92Å; M171-F175 HydrophobicContact CB-CE2 4.28Å; M171-F175 HydrophobicContact CE-CZ 4.42Å; M171-F175 WeakPolarHBondContact O-CD2 3.41Å; M171-F175 WeakPolarHBondContact O-CG 3.45Å; M171-F175 PolarHBondContact O-N 2.95Å; M171-H185 HydrophobicContact CE-CB 3.55Å; M171-L189 HydrophobicContact CB-CD1 3.61Å; M171-L189 HydrophobicContact CB-CD2 4.23Å; M171-L189 HydrophobicContact CB-CG 4.37Å; M171-L189 HydrophobicContact CE-CD1 4.45Å; M171-L189 HydrophobicContact CG-CD1 3.84Å; M171-L189 HydrophobicContact CG-CD2 3.75Å; M171-L189 HydrophobicContact CG-CG 4.07Å
172	L	59.5	Low	59.4	Low	29 Å²	29	62.4 Å²	62.4	15%	0.152	36%	0.362	C	S	.	.	H	α-helix	trans	-52.7	-44.1	168.1	-88.7	167.8	0	0	0	111.3	I108 A111 E168 I169 F175 S176	I108-L172 HydrophobicContact CG2-CD2 4.49Å; A111-L172 HydrophobicContact CB-CD1 4.08Å; A111-L172 HydrophobicContact CB-CD2 3.37Å; A111-L172 HydrophobicContact CB-CG 3.64Å; E168-L172 PolarHBondContact O-N 3.36Å; I169-L172 WeakPolarHBondContact O-CB 3.21Å; I169-L172 PolarHBondContact O-N 3.48Å; L172-F175 PolarHBondContact O-N 2.86Å; L172-S176 PolarHBondContact O-N 3.44Å; L172-S176 PolarHBondContact O-OG 3.18Å
173	V	60.8	Low	58.8	Low	83 Å²	83	61.5 Å²	61.5	50%	0.503	36%	0.361	S	S	.	.	H	α-helix	trans	-65.2	-41.3	175	176.1	0	0	0	0	111.3	I169 M171 F175 S176 V177	I169-V173 WeakPolarHBondContact O-CG2 3.44Å; I169-V173 PolarHBondContact O-N 2.95Å; M171-V173 PolarHBondContact O-N 3.47Å; V173-F175 VanDerWaalsContact C-N 3.32Å; V173-F175 PolarHBondContact O-N 2.78Å; V173-S176 PolarHBondContact O-N 3.17Å; V173-S176 PolarHBondContact O-OG 3.35Å; V173-V177 VanDerWaalsContact O-CG2 3.25Å; V173-V177 WeakPolarHBondContact O-CG2 3.39Å; V173-V177 PolarHBondContact O-N 3.02Å
174	K	56.8	Low	58.1	Low	114 Å²	114	60.7 Å²	60.7	50%	0.496	36%	0.362	S	S	.	.	H	α-helix	trans	-66	-33.4	176.2	-75.9	-177.1	177.3	-177.9	0	113.3	G170 M171 G178 Y179	G170-K174 WeakPolarHBondContact O-CG 3.33Å; G170-K174 PolarHBondContact O-N 3.26Å; G170-K174 VanDerWaalsContact O-N 3.11Å; M171-K174 CarbonylContact O-C 3.59Å; M171-K174 PolarHBondContact O-N 3.5Å; M171-K174 HydrophobicContact SD-CD 3.92Å; K174-G178 PolarHBondContact O-N 3.28Å; K174-Y179 PolarHBondContact O-N 2.99Å
175	F	57.5	Low	57.6	Low	28 Å²	28	63.1 Å²	63.1	12%	0.123	37%	0.371	C	S	.	.	H	α-helix	trans	-69.6	-42.6	174.8	-70.9	-50.8	0	0	0	111.9	M171 L172 V173 V177 G178 P182 H185 L189	M171-F175 HydrophobicContact CB-CE2 4.28Å; M171-F175 HydrophobicContact CE-CZ 4.42Å; M171-F175 WeakPolarHBondContact O-CD2 3.41Å; M171-F175 WeakPolarHBondContact O-CG 3.45Å; M171-F175 PolarHBondContact O-N 2.95Å; L172-F175 PolarHBondContact O-N 2.86Å; V173-F175 VanDerWaalsContact C-N 3.32Å; V173-F175 PolarHBondContact O-N 2.78Å; F175-V177 PolarHBondContact O-N 2.8Å; F175-G178 PolarHBondContact O-N 3.04Å; F175-G178 VanDerWaalsContact O-N 3.12Å; F175-P182 HydrophobicContact CE1-CB 4.41Å; F175-H185 HydrophobicContact CE1-CB 4.11Å; F175-H185 HydrophobicContact CZ-CB 3.81Å; F175-L189 HydrophobicContact CE2-CD1 4.22Å
176	S	56.1	Low	57.4	Low	87 Å²	87	62.8 Å²	62.8	61%	0.608	37%	0.368	S	S	*	.	H	α-helix	trans	-65.9	-21.8	178.5	65.7	0	0	0	0	113.4	L172 V173	L172-S176 PolarHBondContact O-N 3.44Å; L172-S176 PolarHBondContact O-OG 3.18Å; V173-S176 PolarHBondContact O-N 3.17Å; V173-S176 PolarHBondContact O-OG 3.35Å
177	V	57.6	Low	56.9	Low	83 Å²	83	63 Å²	63	50%	0.503	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	7.5	177.6	-162.9	0	0	0	0	112.5	V173 F175 Y179	V173-V177 VanDerWaalsContact O-CG2 3.25Å; V173-V177 WeakPolarHBondContact O-CG2 3.39Å; V173-V177 PolarHBondContact O-N 3.02Å; F175-V177 PolarHBondContact O-N 2.8Å; V177-Y179 VanDerWaalsContact C-N 3.29Å; V177-Y179 HydrophobicContact CB-CD2 3.76Å; V177-Y179 HydrophobicContact CB-CE2 4.02Å; V177-Y179 HydrophobicContact CG1-CD2 3.57Å; V177-Y179 HydrophobicContact CG1-CE2 3.29Å; V177-Y179 PolarHBondContact O-N 3.05Å
178	G	53.7	Low	56.6	Low	69 Å²	69	67.2 Å²	67.2	71%	0.711	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.3	14.5	169.7	0	0	0	0	0	116	K174 F175 S180	K174-G178 PolarHBondContact O-N 3.28Å; F175-G178 PolarHBondContact O-N 3.04Å; F175-G178 VanDerWaalsContact O-N 3.12Å; G178-S180 PolarHBondContact O-N 3.4Å
179	Y	47.3	Very low	56.4	Low	188 Å²	188	66.6 Å²	66.6	74%	0.737	38%	0.379	S	S	*	.			trans	-81.7	-1.5	-169.3	-85.7	-67.4	0	0	0	115.8	K174 V177	K174-Y179 PolarHBondContact O-N 2.99Å; V177-Y179 VanDerWaalsContact C-N 3.29Å; V177-Y179 HydrophobicContact CB-CD2 3.76Å; V177-Y179 HydrophobicContact CB-CE2 4.02Å; V177-Y179 HydrophobicContact CG1-CD2 3.57Å; V177-Y179 HydrophobicContact CG1-CE2 3.29Å; V177-Y179 PolarHBondContact O-N 3.05Å
180	S	52.1	Low	56.3	Low	25 Å²	25	63.2 Å²	63.2	18%	0.175	36%	0.361	C	S	.	.	S	Bend	trans	-151.9	146.4	-166.6	-5.3	0	0	0	0	114.1	G178 P182 H185	G178-S180 PolarHBondContact O-N 3.4Å; S180-P182 VanDerWaalsContact O-CD 3.3Å; S180-P182 WeakPolarHBondContact O-CD 2.98Å; S180-H185 WeakPolarHBondContact CB-CD2 3.43Å
181	C	55.3	Low	56.3	Low	70 Å²	70	64.8 Å²	64.8	47%	0.473	37%	0.367	S	S	.	.			trans	-62.3	115.6	170.6	178.8	0	0	0	0	109.9	S183 H185	C181-S183 PolarHBondContact O-N 2.91Å; C181-S183 VanDerWaalsContact O-N 3.15Å; C181-H185 PolarHBondContact O-CD2 3.49Å; C181-H185 VanDerWaalsContact O-CD2 3.27Å
182	P	54	Low	56.5	Low	52 Å²	52	66.6 Å²	66.6	34%	0.338	38%	0.376	S	S	.	.	H	α-helix	trans	-52.5	-41.3	-175	-27.2	34.7	0	0	0	113.3	P107 F175 S180 H186	P107-P182 HydrophobicContact CG-CB 4.5Å; F175-P182 HydrophobicContact CE1-CB 4.41Å; S180-P182 VanDerWaalsContact O-CD 3.3Å; S180-P182 WeakPolarHBondContact O-CD 2.98Å; P182-H186 WeakPolarHBondContact O-CB 3.17Å; P182-H186 PolarHBondContact O-N 3.14Å
183	S	54.7	Low	56.6	Low	44 Å²	44	65.8 Å²	65.8	31%	0.308	37%	0.374	S	S	.	.	H	α-helix	trans	-71.1	-46.5	-169.9	-49.7	0	0	0	0	113.9	C181 H185 Q187	C181-S183 PolarHBondContact O-N 2.91Å; C181-S183 VanDerWaalsContact O-N 3.15Å; S183-H185 VanDerWaalsContact C-N 3.34Å; S183-H185 PolarHBondContact O-N 3.4Å; S183-Q187 WeakPolarHBondContact O-CG 3.45Å; S183-Q187 PolarHBondContact O-N 2.69Å; S183-Q187 VanDerWaalsContact O-N 3.17Å
184	C	52.8	Low	56.6	Low	82 Å²	82	62.8 Å²	62.8	55%	0.554	36%	0.357	S	S	*	.	H	α-helix	trans	-69	-36.3	-177.5	-56.9	0	0	0	0	111.8	F188	C184-F188 PolarHBondContact O-N 2.83Å
185	H	55.4	Low	56.9	Low	70 Å²	70	61.3 Å²	61.3	32%	0.324	36%	0.357	S	S	.	.	H	α-helix	trans	-77.8	-35.1	-179.1	-74.7	-69.9	0	0	0	112.4	M171 F175 S180 C181 S183 F188 L189	M171-H185 HydrophobicContact CE-CB 3.55Å; F175-H185 HydrophobicContact CE1-CB 4.11Å; F175-H185 HydrophobicContact CZ-CB 3.81Å; S180-H185 WeakPolarHBondContact CB-CD2 3.43Å; C181-H185 PolarHBondContact O-CD2 3.49Å; C181-H185 VanDerWaalsContact O-CD2 3.27Å; S183-H185 VanDerWaalsContact C-N 3.34Å; S183-H185 PolarHBondContact O-N 3.4Å; H185-F188 PolarHBondContact O-N 3.49Å; H185-L189 WeakPolarHBondContact O-CG 3.34Å; H185-L189 PolarHBondContact O-N 3.29Å
186	H	56.4	Low	57.4	Low	8 Å²	8	60.7 Å²	60.7	4%	0.037	36%	0.356	C	S	.	.	H	α-helix	trans	-62.4	-45	172.9	-164.3	58.7	0	0	0	110.9	T87 P182 F188 L189 W190	T87-H186 WeakPolarHBondContact CB-NE2 3.32Å; T87-H186 VanDerWaalsContact CG2-NE2 3.26Å; T87-H186 WeakPolarHBondContact CG2-NE2 3.25Å; T87-H186 PolarHBondContact OG1-NE2 2.88Å; P182-H186 WeakPolarHBondContact O-CB 3.17Å; P182-H186 PolarHBondContact O-N 3.14Å; H186-F188 VanDerWaalsContact C-N 3.32Å; H186-F188 PolarHBondContact O-N 3.21Å; H186-L189 PolarHBondContact O-N 2.85Å; H186-W190 AromaticContact CD2-CD1 3.66Å; H186-W190 AromaticContact CD2-NE1 3.02Å; H186-W190 PolarHBondContact CD2-NE1 3.49Å; H186-W190 AromaticContact CE1-CE2 3.56Å; H186-W190 AromaticContact CE1-CZ2 3.62Å; H186-W190 AromaticContact CE1-NE1 3.04Å; H186-W190 PolarHBondContact CE1-NE1 3.28Å; H186-W190 AromaticContact CG-CD1 3.74Å; H186-W190 AromaticContact CG-NE1 3.34Å; H186-W190 VanDerWaalsContact CG-NE1 3.34Å; H186-W190 AromaticContact ND1-NE1 3.35Å; H186-W190 PolarHBondContact ND1-NE1 2.82Å; H186-W190 AromaticContact NE2-CD1 3.88Å; H186-W190 AromaticContact NE2-CE2 3.55Å; H186-W190 AromaticContact NE2-CZ2 3.71Å; H186-W190 AromaticContact NE2-NE1 2.8Å; H186-W190 PolarHBondContact NE2-NE1 3.5Å; H186-W190 PolarHBondContact O-N 3.26Å
187	Q	56.6	Low	57.7	Low	103 Å²	103	57.2 Å²	57.2	48%	0.481	33%	0.331	S	S	.	.	H	α-helix	trans	-60.4	-38.7	176.2	-73.1	179.9	-0.1	0	0	113.2	S183 S191	S183-Q187 WeakPolarHBondContact O-CG 3.45Å; S183-Q187 PolarHBondContact O-N 2.69Å; S183-Q187 VanDerWaalsContact O-N 3.17Å; Q187-S191 WeakPolarHBondContact O-CB 3.46Å; Q187-S191 PolarHBondContact O-N 3.4Å; Q187-S191 PolarHBondContact O-OG 3.26Å
188	F	58.6	Low	58	Low	128 Å²	128	57.6 Å²	57.6	56%	0.561	33%	0.329	S	S	*	.	H	α-helix	trans	-65.3	-45.6	176.1	-178.9	-99.3	0	0	0	112	C184 H185 H186 S191 L192	C184-F188 PolarHBondContact O-N 2.83Å; H185-F188 PolarHBondContact O-N 3.49Å; H186-F188 VanDerWaalsContact C-N 3.32Å; H186-F188 PolarHBondContact O-N 3.21Å; F188-S191 PolarHBondContact O-N 3.49Å; F188-L192 HydrophobicContact CE1-CD2 4.42Å; F188-L192 WeakPolarHBondContact O-CB 3.12Å; F188-L192 PolarHBondContact O-N 3.31Å
189	L	59	Low	58.7	Low	3 Å²	3	57 Å²	57	2%	0.016	31%	0.312	C	S	.	.	H	α-helix	trans	-59.1	-47.2	176	-78.4	169.7	0	0	0	112.1	V167 E168 M171 F175 H185 H186 S191 L192 A193	V167-L189 HydrophobicContact CG1-CD2 3.62Å; E168-L189 HydrophobicContact CG-CD2 4.43Å; M171-L189 HydrophobicContact CB-CD1 3.61Å; M171-L189 HydrophobicContact CB-CD2 4.23Å; M171-L189 HydrophobicContact CB-CG 4.37Å; M171-L189 HydrophobicContact CE-CD1 4.45Å; M171-L189 HydrophobicContact CG-CD1 3.84Å; M171-L189 HydrophobicContact CG-CD2 3.75Å; M171-L189 HydrophobicContact CG-CG 4.07Å; F175-L189 HydrophobicContact CE2-CD1 4.22Å; H185-L189 WeakPolarHBondContact O-CG 3.34Å; H185-L189 PolarHBondContact O-N 3.29Å; H186-L189 PolarHBondContact O-N 2.85Å; L189-S191 VanDerWaalsContact C-N 3.31Å; L189-S191 PolarHBondContact O-N 3.44Å; L189-L192 PolarHBondContact O-N 2.89Å; L189-A193 WeakPolarHBondContact O-CB 3.34Å; L189-A193 PolarHBondContact O-N 3.48Å
190	W	60.7	Low	59.6	Low	6 Å²	6	48 Å²	48	2%	0.023	28%	0.277	C	S	.	.	H	α-helix	trans	-59.1	-43.7	175.3	-74	119	0	0	0	112.5	L80 Q83 C84 Q114 H186 S194	L80-W190 HydrophobicContact CB-CE3 3.78Å; L80-W190 HydrophobicContact CB-CH2 4.43Å; L80-W190 HydrophobicContact CB-CZ3 3.33Å; L80-W190 HydrophobicContact CD1-CZ3 4.37Å; L80-W190 HydrophobicContact CD2-CE3 4.42Å; L80-W190 HydrophobicContact CD2-CH2 4.16Å; L80-W190 HydrophobicContact CD2-CZ3 3.47Å; L80-W190 VanDerWaalsContact CD2-CZ3 3.47Å; L80-W190 HydrophobicContact CG-CE3 4.44Å; L80-W190 HydrophobicContact CG-CZ3 3.81Å; L80-W190 WeakPolarHBondContact O-CH2 3.35Å; L80-W190 WeakPolarHBondContact O-CZ3 3.41Å; Q83-W190 HydrophobicContact CB-CH2 3.33Å; Q83-W190 HydrophobicContact CB-CZ2 3.76Å; Q83-W190 HydrophobicContact CB-CZ3 4.24Å; Q83-W190 HydrophobicContact CG-CH2 4.38Å; C84-W190 HydrophobicContact CB-CD2 3.7Å; C84-W190 HydrophobicContact CB-CE3 4.26Å; C84-W190 HydrophobicContact CB-CG 3.83Å; C84-W190 HydrophobicContact CB-CZ2 4.3Å; Q114-W190 HydrophobicContact CG-CH2 3.77Å; Q114-W190 HydrophobicContact CG-CZ3 4.22Å; H186-W190 AromaticContact CD2-CD1 3.66Å; H186-W190 AromaticContact CD2-NE1 3.02Å; H186-W190 PolarHBondContact CD2-NE1 3.49Å; H186-W190 AromaticContact CE1-CE2 3.56Å; H186-W190 AromaticContact CE1-CZ2 3.62Å; H186-W190 AromaticContact CE1-NE1 3.04Å; H186-W190 PolarHBondContact CE1-NE1 3.28Å; H186-W190 AromaticContact CG-CD1 3.74Å; H186-W190 AromaticContact CG-NE1 3.34Å; H186-W190 VanDerWaalsContact CG-NE1 3.34Å; H186-W190 AromaticContact ND1-NE1 3.35Å; H186-W190 PolarHBondContact ND1-NE1 2.82Å; H186-W190 AromaticContact NE2-CD1 3.88Å; H186-W190 AromaticContact NE2-CE2 3.55Å; H186-W190 AromaticContact NE2-CZ2 3.71Å; H186-W190 AromaticContact NE2-NE1 2.8Å; H186-W190 PolarHBondContact NE2-NE1 3.5Å; H186-W190 PolarHBondContact O-N 3.26Å; W190-S194 WeakPolarHBondContact O-CB 3.24Å; W190-S194 PolarHBondContact O-N 3.33Å; W190-S194 PolarHBondContact O-OG 2.92Å
191	S	59.3	Low	60.1	Low	69 Å²	69	47.9 Å²	47.9	48%	0.483	28%	0.275	S	S	.	.	H	α-helix	trans	-64	-44.7	179.7	-58.7	0	0	0	0	110.4	Q187 F188 L189 S194 V195	Q187-S191 WeakPolarHBondContact O-CB 3.46Å; Q187-S191 PolarHBondContact O-N 3.4Å; Q187-S191 PolarHBondContact O-OG 3.26Å; F188-S191 PolarHBondContact O-N 3.49Å; L189-S191 VanDerWaalsContact C-N 3.31Å; L189-S191 PolarHBondContact O-N 3.44Å; S191-S194 PolarHBondContact O-N 3.5Å; S191-V195 WeakPolarHBondContact O-CB 3.29Å; S191-V195 WeakPolarHBondContact O-CG2 3.26Å; S191-V195 PolarHBondContact O-N 2.93Å
192	L	62.3	Low	60.6	Low	57 Å²	57	49.3 Å²	49.3	30%	0.298	28%	0.277	S	S	.	.	H	α-helix	trans	-65.1	-48.5	178.9	-173.7	65.6	0	0	0	111.8	V167 F188 L189 S194 V195 C196	V167-L192 HydrophobicContact CB-CD2 4.46Å; V167-L192 HydrophobicContact CG1-CD2 4.05Å; V167-L192 HydrophobicContact CG2-CD2 4.39Å; F188-L192 HydrophobicContact CE1-CD2 4.42Å; F188-L192 WeakPolarHBondContact O-CB 3.12Å; F188-L192 PolarHBondContact O-N 3.31Å; L189-L192 PolarHBondContact O-N 2.89Å; L192-S194 VanDerWaalsContact C-N 3.29Å; L192-S194 PolarHBondContact O-N 2.94Å; L192-V195 PolarHBondContact O-N 2.98Å; L192-C196 PolarHBondContact O-N 3.29Å; L192-C196 PolarHBondContact O-SG 3.38Å; L192-C196 VanDerWaalsContact O-SG 3.35Å
193	A	62.5	Low	61.3	Low	12 Å²	12	48.9 Å²	48.9	10%	0.099	27%	0.272	C	S	.	.	H	α-helix	trans	-59.9	-41.7	176.6	0	0	0	0	0	111.4	L80 L189 C196 L197	L80-A193 HydrophobicContact CD1-CB 3.97Å; L189-A193 WeakPolarHBondContact O-CB 3.34Å; L189-A193 PolarHBondContact O-N 3.48Å; A193-C196 PolarHBondContact O-N 3.11Å; A193-L197 WeakPolarHBondContact O-CB 3.36Å; A193-L197 WeakPolarHBondContact O-CG 3.33Å; A193-L197 PolarHBondContact O-N 2.99Å
194	S	59.9	Low	61.8	Low	21 Å²	21	46.9 Å²	46.9	15%	0.147	26%	0.257	C	S	.	.	H	α-helix	trans	-63.7	-43.4	176.9	-61	0	0	0	0	112	W190 S191 L192 L197 L198	W190-S194 WeakPolarHBondContact O-CB 3.24Å; W190-S194 PolarHBondContact O-N 3.33Å; W190-S194 PolarHBondContact O-OG 2.92Å; S191-S194 PolarHBondContact O-N 3.5Å; L192-S194 VanDerWaalsContact C-N 3.29Å; L192-S194 PolarHBondContact O-N 2.94Å; S194-L197 PolarHBondContact O-N 3.44Å; S194-L198 VanDerWaalsContact O-CB 3.25Å; S194-L198 WeakPolarHBondContact O-CB 3.4Å; S194-L198 PolarHBondContact O-N 2.91Å
195	V	63.6	Low	62.5	Low	82 Å²	82	46.8 Å²	46.8	50%	0.497	25%	0.251	S	S	.	.	H	α-helix	trans	-64.4	-45.1	176.9	169.9	0	0	0	0	110.6	S191 L192 L197 L198 V199	S191-V195 WeakPolarHBondContact O-CB 3.29Å; S191-V195 WeakPolarHBondContact O-CG2 3.26Å; S191-V195 PolarHBondContact O-N 2.93Å; L192-V195 PolarHBondContact O-N 2.98Å; V195-L197 PolarHBondContact O-N 2.88Å; V195-L198 PolarHBondContact O-N 3.32Å; V195-V199 HydrophobicContact CG1-CG2 4.31Å; V195-V199 WeakPolarHBondContact O-CB 3.31Å; V195-V199 VanDerWaalsContact O-CG2 3.26Å; V195-V199 WeakPolarHBondContact O-CG2 3.26Å; V195-V199 PolarHBondContact O-N 3.32Å
196	C	67	Low	63.1	Low	16 Å²	16	52.1 Å²	52.1	11%	0.108	27%	0.268	C	S	.	.	H	α-helix	trans	-60.9	-43.4	177.2	-71.3	0	0	0	0	112.2	L192 A193 G200	L192-C196 PolarHBondContact O-N 3.29Å; L192-C196 PolarHBondContact O-SG 3.38Å; L192-C196 VanDerWaalsContact O-SG 3.35Å; A193-C196 PolarHBondContact O-N 3.11Å; C196-G200 PolarHBondContact O-N 3.27Å
197	L	64.1	Low	63.5	Low	13 Å²	13	51.9 Å²	51.9	7%	0.068	27%	0.268	C	S	.	.	H	α-helix	trans	-66.8	-40.2	176	-72.6	174.5	0	0	0	112.2	P73 T76 L77 L80 A193 S194 V195 G200 T201	P73-L197 HydrophobicContact CB-CD2 4.35Å; T76-L197 HydrophobicContact CG2-CD1 3.74Å; T76-L197 HydrophobicContact CG2-CD2 4.29Å; L77-L197 HydrophobicContact CB-CB 4.47Å; L77-L197 HydrophobicContact CB-CD1 4.07Å; L77-L197 HydrophobicContact CD1-CB 4.43Å; L77-L197 HydrophobicContact CD1-CD1 4.33Å; L80-L197 HydrophobicContact CD1-CD1 3.46Å; L80-L197 VanDerWaalsContact CD1-CD1 3.46Å; L80-L197 HydrophobicContact CG-CD1 4.42Å; A193-L197 WeakPolarHBondContact O-CB 3.36Å; A193-L197 WeakPolarHBondContact O-CG 3.33Å; A193-L197 PolarHBondContact O-N 2.99Å; S194-L197 PolarHBondContact O-N 3.44Å; V195-L197 PolarHBondContact O-N 2.88Å; L197-G200 PolarHBondContact O-N 3.32Å; L197-T201 WeakPolarHBondContact O-CB 3.33Å; L197-T201 PolarHBondContact O-N 3.3Å; L197-T201 PolarHBondContact O-OG1 2.93Å
198	L	63.3	Low	63.7	Low	91 Å²	91	47.7 Å²	47.7	48%	0.476	25%	0.251	S	S	.	.	H	α-helix	trans	-62.5	-48.2	176.8	-176.8	67.4	0	0	0	110.5	S194 V195 G200 T201 L202	S194-L198 VanDerWaalsContact O-CB 3.25Å; S194-L198 WeakPolarHBondContact O-CB 3.4Å; S194-L198 PolarHBondContact O-N 2.91Å; V195-L198 PolarHBondContact O-N 3.32Å; L198-G200 VanDerWaalsContact C-N 3.34Å; L198-G200 PolarHBondContact O-N 3.46Å; L198-T201 PolarHBondContact O-N 3.02Å; L198-L202 HydrophobicContact CG-CD1 4.22Å; L198-L202 WeakPolarHBondContact O-CB 3.31Å; L198-L202 VanDerWaalsContact O-CG 3.28Å; L198-L202 WeakPolarHBondContact O-CG 3.48Å; L198-L202 PolarHBondContact O-N 3.36Å
199	V	68	Low	64.2	Low	57 Å²	57	45.9 Å²	45.9	35%	0.345	25%	0.246	S	C	.	.	H	α-helix	trans	-58.9	-47.1	176	170.8	0	0	0	0	110.2	L160 V195 T201 L202 I203	L160-V199 HydrophobicContact CD1-CG1 3.9Å; V195-V199 HydrophobicContact CG1-CG2 4.31Å; V195-V199 WeakPolarHBondContact O-CB 3.31Å; V195-V199 VanDerWaalsContact O-CG2 3.26Å; V195-V199 WeakPolarHBondContact O-CG2 3.26Å; V195-V199 PolarHBondContact O-N 3.32Å; V199-T201 PolarHBondContact O-N 2.88Å; V199-L202 PolarHBondContact O-N 3.15Å; V199-I203 HydrophobicContact CG1-CD1 3.65Å; V199-I203 HydrophobicContact CG1-CG1 4.29Å; V199-I203 WeakPolarHBondContact O-CG1 3.3Å; V199-I203 PolarHBondContact O-N 2.93Å
200	G	65.7	Low	64.5	Low	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-56.6	-48.1	175.1	0	0	0	0	0	113.7	F157 C196 L197 L198 L202 I203 H204	F157-G200 VanDerWaalsContact CE2-CA 3.49Å; C196-G200 PolarHBondContact O-N 3.27Å; L197-G200 PolarHBondContact O-N 3.32Å; L198-G200 VanDerWaalsContact C-N 3.34Å; L198-G200 PolarHBondContact O-N 3.46Å; G200-L202 VanDerWaalsContact C-N 3.32Å; G200-L202 PolarHBondContact O-N 3.47Å; G200-I203 PolarHBondContact O-N 2.85Å; G200-H204 PolarHBondContact O-CD2 3.31Å; G200-H204 PolarHBondContact O-N 3.47Å
201	T	62.3	Low	64.6	Low	22 Å²	22	50 Å²	50	14%	0.135	27%	0.267	C	S	.	.	H	α-helix	trans	-59.3	-44.6	177.5	-49.8	0	0	0	0	111.3	P73 L197 L198 V199 I203 H204 L205	P73-T201 WeakPolarHBondContact CB-OG1 3.42Å; L197-T201 WeakPolarHBondContact O-CB 3.33Å; L197-T201 PolarHBondContact O-N 3.3Å; L197-T201 PolarHBondContact O-OG1 2.93Å; L198-T201 PolarHBondContact O-N 3.02Å; V199-T201 PolarHBondContact O-N 2.88Å; T201-I203 VanDerWaalsContact C-N 3.34Å; T201-I203 PolarHBondContact O-N 3.32Å; T201-H204 PolarHBondContact O-N 3.46Å; T201-L205 VanDerWaalsContact O-CB 3.29Å; T201-L205 WeakPolarHBondContact O-CB 3.24Å; T201-L205 PolarHBondContact O-N 3.26Å
202	L	67.4	Low	64.7	Low	100 Å²	100	52 Å²	52	52%	0.524	27%	0.272	S	S	.	.	H	α-helix	trans	-64.1	-39.9	178.6	-72.1	173.8	0	0	0	111.7	L198 V199 G200 L205 W206	L198-L202 HydrophobicContact CG-CD1 4.22Å; L198-L202 WeakPolarHBondContact O-CB 3.31Å; L198-L202 VanDerWaalsContact O-CG 3.28Å; L198-L202 WeakPolarHBondContact O-CG 3.48Å; L198-L202 PolarHBondContact O-N 3.36Å; V199-L202 PolarHBondContact O-N 3.15Å; G200-L202 VanDerWaalsContact C-N 3.32Å; G200-L202 PolarHBondContact O-N 3.47Å; L202-L205 PolarHBondContact O-N 2.87Å; L202-W206 WeakPolarHBondContact O-CB 3.27Å; L202-W206 PolarHBondContact O-N 3.4Å
203	I	68.3	Low	64.8	Low	43 Å²	43	55.2 Å²	55.2	22%	0.221	28%	0.284	C	S	.	.	H	α-helix	trans	-67.9	-41.2	177.2	-59.3	165.3	0	0	0	110.3	V153 V199 G200 T201 W206 S207	V153-I203 HydrophobicContact CB-CG2 3.72Å; V153-I203 HydrophobicContact CG1-CB 4.29Å; V153-I203 HydrophobicContact CG1-CG2 3.21Å; V153-I203 HydrophobicContact CG2-CG2 3.34Å; V199-I203 HydrophobicContact CG1-CD1 3.65Å; V199-I203 HydrophobicContact CG1-CG1 4.29Å; V199-I203 WeakPolarHBondContact O-CG1 3.3Å; V199-I203 PolarHBondContact O-N 2.93Å; G200-I203 PolarHBondContact O-N 2.85Å; T201-I203 VanDerWaalsContact C-N 3.34Å; T201-I203 PolarHBondContact O-N 3.32Å; I203-W206 WeakPolarHBondContact O-CB 3.18Å; I203-W206 PolarHBondContact O-N 2.94Å; I203-S207 PolarHBondContact O-N 3.09Å
204	H	64.5	Low	64.8	Low	2 Å²	2	56.4 Å²	56.4	1%	0.009	29%	0.29	C	S	.	.	H	α-helix	trans	-64.9	-42.2	174.2	-71.6	-44.8	0	0	0	112.7	I70 W125 N154 F157 G200 T201 W206 S207 A208	I70-H204 HydrophobicContact CG1-CB 4.33Å; W125-H204 AromaticContact CH2-CD2 3.7Å; W125-H204 AromaticContact CH2-CE1 2.95Å; W125-H204 WeakPolarHBondContact CH2-CE1 3.38Å; W125-H204 AromaticContact CH2-ND1 3.57Å; W125-H204 AromaticContact CH2-NE2 2.98Å; W125-H204 WeakPolarHBondContact CH2-NE2 3.42Å; W125-H204 AromaticContact CZ2-CE1 3.25Å; W125-H204 WeakPolarHBondContact CZ2-CE1 3.39Å; W125-H204 AromaticContact CZ2-NE2 3.42Å; W125-H204 WeakPolarHBondContact CZ2-NE2 3.26Å; W125-H204 AromaticContact CZ3-NE2 3.66Å; N154-H204 PolarHBondContact OD1-CE1 3.28Å; N154-H204 VanDerWaalsContact OD1-CE1 3.3Å; F157-H204 AromaticContact CD1-NE2 3.63Å; F157-H204 AromaticContact CG-NE2 3.69Å; G200-H204 PolarHBondContact O-CD2 3.31Å; G200-H204 PolarHBondContact O-N 3.47Å; T201-H204 PolarHBondContact O-N 3.46Å; H204-W206 VanDerWaalsContact C-N 3.3Å; H204-W206 PolarHBondContact O-N 3.35Å; H204-S207 WeakPolarHBondContact CA-OG 3.42Å; H204-S207 PolarHBondContact O-N 3.42Å; H204-S207 PolarHBondContact O-OG 3.3Å; H204-A208 WeakPolarHBondContact O-CB 3.1Å; H204-A208 PolarHBondContact O-N 3.21Å
205	L	67.3	Low	64.6	Low	80 Å²	80	57.3 Å²	57.3	42%	0.419	29%	0.292	S	S	.	.	H	α-helix	trans	-59.9	-44.2	175	-175.8	64.7	0	0	0	110.9	T201 L202 A208 I209	T201-L205 VanDerWaalsContact O-CB 3.29Å; T201-L205 WeakPolarHBondContact O-CB 3.24Å; T201-L205 PolarHBondContact O-N 3.26Å; L202-L205 PolarHBondContact O-N 2.87Å; L205-A208 PolarHBondContact O-N 3.31Å; L205-I209 HydrophobicContact CD1-CD1 4.32Å; L205-I209 HydrophobicContact CG-CD1 3.96Å; L205-I209 VanDerWaalsContact O-CG1 3.25Å; L205-I209 WeakPolarHBondContact O-CG1 3.31Å; L205-I209 PolarHBondContact O-N 3.4Å
206	W	69.4	Low	64.3	Low	181 Å²	181	59.8 Å²	59.8	69%	0.686	30%	0.297	S	S	*	.	H	α-helix	trans	-59.1	-48.2	173.9	-178	-95.4	0	0	0	111.6	L202 I203 H204 A208 I209 V210	L202-W206 WeakPolarHBondContact O-CB 3.27Å; L202-W206 PolarHBondContact O-N 3.4Å; I203-W206 WeakPolarHBondContact O-CB 3.18Å; I203-W206 PolarHBondContact O-N 2.94Å; H204-W206 VanDerWaalsContact C-N 3.3Å; H204-W206 PolarHBondContact O-N 3.35Å; W206-A208 VanDerWaalsContact C-N 3.31Å; W206-A208 PolarHBondContact O-N 2.91Å; W206-I209 PolarHBondContact O-N 3.45Å; W206-V210 HydrophobicContact CD2-CG2 4.47Å; W206-V210 HydrophobicContact CZ2-CG2 4.47Å; W206-V210 VanDerWaalsContact O-CG2 3.31Å; W206-V210 WeakPolarHBondContact O-CG2 3.4Å; W206-V210 PolarHBondContact O-N 3.35Å
207	S	64.4	Low	63.9	Low	4 Å²	4	65.9 Å²	65.9	3%	0.028	32%	0.317	C	S	.	.	H	α-helix	trans	-58.3	-42.4	177.7	76.4	0	0	0	0	112.2	D150 I203 H204 V210 F211	D150-S207 WeakPolarHBondContact OD1-CB 3.36Å; I203-S207 PolarHBondContact O-N 3.09Å; H204-S207 WeakPolarHBondContact CA-OG 3.42Å; H204-S207 PolarHBondContact O-N 3.42Å; H204-S207 PolarHBondContact O-OG 3.3Å; S207-V210 PolarHBondContact O-N 3.34Å; S207-F211 WeakPolarHBondContact O-CB 3.44Å; S207-F211 PolarHBondContact O-N 3.35Å
208	A	60.8	Low	63.4	Low	15 Å²	15	68.5 Å²	68.5	12%	0.124	33%	0.329	C	S	.	.	H	α-helix	trans	-66.5	-42.9	178.4	0	0	0	0	0	111.8	I70 H204 L205 W206 F211 L212	I70-A208 HydrophobicContact CD1-CB 4.19Å; H204-A208 WeakPolarHBondContact O-CB 3.1Å; H204-A208 PolarHBondContact O-N 3.21Å; L205-A208 PolarHBondContact O-N 3.31Å; W206-A208 VanDerWaalsContact C-N 3.31Å; W206-A208 PolarHBondContact O-N 2.91Å; A208-F211 PolarHBondContact O-N 3.25Å; A208-L212 WeakPolarHBondContact O-CB 3.42Å; A208-L212 VanDerWaalsContact O-CG 3.31Å; A208-L212 WeakPolarHBondContact O-CG 3.25Å; A208-L212 PolarHBondContact O-N 3.24Å
209	I	68.5	Low	63	Low	89 Å²	89	66.6 Å²	66.6	46%	0.456	32%	0.322	S	S	.	.	H	α-helix	trans	-63.1	-44.1	176.7	-69.5	166.1	0	0	0	110.7	L205 W206 L212 K213	L205-I209 HydrophobicContact CD1-CD1 4.32Å; L205-I209 HydrophobicContact CG-CD1 3.96Å; L205-I209 VanDerWaalsContact O-CG1 3.25Å; L205-I209 WeakPolarHBondContact O-CG1 3.31Å; L205-I209 PolarHBondContact O-N 3.4Å; W206-I209 PolarHBondContact O-N 3.45Å; I209-L212 PolarHBondContact O-N 3.03Å; I209-K213 WeakPolarHBondContact O-CB 3.3Å; I209-K213 PolarHBondContact O-N 3.43Å
210	V	64.5	Low	62.6	Low	41 Å²	41	69.3 Å²	69.3	25%	0.248	33%	0.33	C	S	.	.	H	α-helix	trans	-63.5	-44.7	177.8	177.8	0	0	0	0	110.3	L146 W206 S207 L212 K213 V214	L146-V210 HydrophobicContact CD1-CB 4.26Å; L146-V210 HydrophobicContact CD1-CG1 3.4Å; W206-V210 HydrophobicContact CD2-CG2 4.47Å; W206-V210 HydrophobicContact CZ2-CG2 4.47Å; W206-V210 VanDerWaalsContact O-CG2 3.31Å; W206-V210 WeakPolarHBondContact O-CG2 3.4Å; W206-V210 PolarHBondContact O-N 3.35Å; S207-V210 PolarHBondContact O-N 3.34Å; V210-L212 PolarHBondContact O-N 2.98Å; V210-K213 PolarHBondContact O-N 3.36Å; V210-V214 HydrophobicContact CG1-CG2 4.25Å; V210-V214 VanDerWaalsContact O-CG2 3.31Å; V210-V214 WeakPolarHBondContact O-CG2 3.12Å; V210-V214 PolarHBondContact O-N 3.04Å
211	F	63.6	Low	62.1	Low	55 Å²	55	79.7 Å²	79.7	24%	0.241	37%	0.37	C	S	.	.	H	α-helix	trans	-58.1	-48.8	176.3	-179.2	-100.2	0	0	0	112.4	L146 S207 A208 K213 V214 N215	L146-F211 HydrophobicContact CD2-CB 4.31Å; L146-F211 HydrophobicContact CD2-CD2 3.81Å; S207-F211 WeakPolarHBondContact O-CB 3.44Å; S207-F211 PolarHBondContact O-N 3.35Å; A208-F211 PolarHBondContact O-N 3.25Å; F211-K213 VanDerWaalsContact C-N 3.31Å; F211-K213 PolarHBondContact O-N 2.85Å; F211-V214 PolarHBondContact O-N 3.34Å; F211-N215 WeakPolarHBondContact CE1-ND2 3.39Å; F211-N215 WeakPolarHBondContact CZ-ND2 3.45Å; F211-N215 PolarHBondContact O-N 3.44Å
212	L	62.5	Low	61.6	Low	110 Å²	110	85.3 Å²	85.3	58%	0.576	40%	0.395	S	S	*	.	H	α-helix	trans	-59.9	-40.4	176.4	-71.5	172	0	0	0	112	A208 I209 V210 K216	A208-L212 WeakPolarHBondContact O-CB 3.42Å; A208-L212 VanDerWaalsContact O-CG 3.31Å; A208-L212 WeakPolarHBondContact O-CG 3.25Å; A208-L212 PolarHBondContact O-N 3.24Å; I209-L212 PolarHBondContact O-N 3.03Å; V210-L212 PolarHBondContact O-N 2.98Å; L212-K216 WeakPolarHBondContact O-CB 3.48Å; L212-K216 PolarHBondContact O-N 3.11Å
213	K	64.3	Low	60.6	Low	126 Å²	126	92.7 Å²	92.7	55%	0.548	42%	0.415	S	S	.	.	H	α-helix	trans	-68.5	-39	179.1	-170.5	173.8	-176.3	174.1	0	112.5	I209 V210 F211 R217	I209-K213 WeakPolarHBondContact O-CB 3.3Å; I209-K213 PolarHBondContact O-N 3.43Å; V210-K213 PolarHBondContact O-N 3.36Å; F211-K213 VanDerWaalsContact C-N 3.31Å; F211-K213 PolarHBondContact O-N 2.85Å; K213-R217 WeakPolarHBondContact O-CG 3.47Å; K213-R217 PolarHBondContact O-N 3.35Å
214	V	60.8	Low	60.2	Low	37 Å²	37	95.2 Å²	95.2	22%	0.224	43%	0.425	C	S	.	.	H	α-helix	trans	-68.4	-44.7	177.1	173.3	0	0	0	0	110.5	N143 L146 V210 F211 K216 R217 Q218	N143-V214 WeakPolarHBondContact ND2-CG1 3.4Å; L146-V214 HydrophobicContact CD2-CB 4.48Å; L146-V214 HydrophobicContact CD2-CG2 4.49Å; V210-V214 HydrophobicContact CG1-CG2 4.25Å; V210-V214 VanDerWaalsContact O-CG2 3.31Å; V210-V214 WeakPolarHBondContact O-CG2 3.12Å; V210-V214 PolarHBondContact O-N 3.04Å; F211-V214 PolarHBondContact O-N 3.34Å; V214-K216 PolarHBondContact O-N 3.03Å; V214-R217 PolarHBondContact O-N 3.34Å; V214-Q218 PolarHBondContact O-N 3.45Å
215	N	56.8	Low	60	Low	39 Å²	39	100.1 Å²	100.1	21%	0.209	45%	0.447	C	S	.	.	H	α-helix	trans	-61.2	-44.6	176.1	-74.8	-8	0	0	0	111.6	F211 R217 Q218 T219	F211-N215 WeakPolarHBondContact CE1-ND2 3.39Å; F211-N215 WeakPolarHBondContact CZ-ND2 3.45Å; F211-N215 PolarHBondContact O-N 3.44Å; N215-R217 VanDerWaalsContact C-N 3.3Å; N215-R217 PolarHBondContact O-N 3.15Å; N215-Q218 PolarHBondContact O-N 3.25Å; N215-Q218 VanDerWaalsContact O-N 3.08Å; N215-T219 PolarHBondContact O-N 3.28Å; N215-T219 PolarHBondContact O-OG1 3.12Å
216	K	57.9	Low	59.6	Low	134 Å²	134	101.2 Å²	101.2	58%	0.583	45%	0.448	S	S	*	.	H	α-helix	trans	-55.5	-44.6	175.8	-174.2	178.2	177.1	179.7	0	112.1	L212 V214 Q218 T219 E220	L212-K216 WeakPolarHBondContact O-CB 3.48Å; L212-K216 PolarHBondContact O-N 3.11Å; V214-K216 PolarHBondContact O-N 3.03Å; K216-Q218 VanDerWaalsContact C-N 3.35Å; K216-Q218 PolarHBondContact O-N 3Å; K216-T219 PolarHBondContact O-N 3.24Å; K216-E220 WeakPolarHBondContact CE-OE1 3.4Å; K216-E220 WeakPolarHBondContact O-CG 3.4Å; K216-E220 PolarHBondContact O-N 3.24Å
217	R	57.1	Low	59	Low	144 Å²	144	96.5 Å²	96.5	54%	0.543	43%	0.434	S	S	.	.	H	α-helix	trans	-65.8	-34.7	177.3	-74.7	179.3	174.8	-172.4	-2.7	113.1	K213 V214 N215 R221	K213-R217 WeakPolarHBondContact O-CG 3.47Å; K213-R217 PolarHBondContact O-N 3.35Å; V214-R217 PolarHBondContact O-N 3.34Å; N215-R217 VanDerWaalsContact C-N 3.3Å; N215-R217 PolarHBondContact O-N 3.15Å; R217-R221 WeakPolarHBondContact O-CB 3.3Å; R217-R221 WeakPolarHBondContact O-CG 3.25Å; R217-R221 PolarHBondContact O-N 3.16Å; R217-R221 VanDerWaalsContact O-N 3.09Å
218	Q	55.2	Low	58.7	Low	68 Å²	68	102.3 Å²	102.3	32%	0.318	46%	0.46	S	S	.	.	H	α-helix	trans	-69.4	-41.3	174.9	-72.9	-176	-24.6	0	0	111.1	N143 V214 N215 K216 E220 R221 Q222	N143-Q218 PolarHBondContact ND2-NE2 3.26Å; V214-Q218 PolarHBondContact O-N 3.45Å; N215-Q218 PolarHBondContact O-N 3.25Å; N215-Q218 VanDerWaalsContact O-N 3.08Å; K216-Q218 VanDerWaalsContact C-N 3.35Å; K216-Q218 PolarHBondContact O-N 3Å; Q218-E220 VanDerWaalsContact C-N 3.33Å; Q218-E220 PolarHBondContact O-N 3.24Å; Q218-R221 PolarHBondContact O-N 2.92Å; Q218-Q222 WeakPolarHBondContact O-CG 3.47Å; Q218-Q222 PolarHBondContact O-N 3.39Å
219	T	54.4	Low	58.5	Low	52 Å²	52	108.1 Å²	108.1	32%	0.319	48%	0.482	S	S	.	.	H	α-helix	trans	-63.2	-37.9	174.6	-46.6	0	0	0	0	112.3	N215 K216	N215-T219 PolarHBondContact O-N 3.28Å; N215-T219 PolarHBondContact O-OG1 3.12Å; K216-T219 PolarHBondContact O-N 3.24Å
220	E	58.7	Low	57.8	Low	113 Å²	113	109.4 Å²	109.4	53%	0.528	48%	0.484	S	S	.	.	H	α-helix	trans	-70.6	-32.2	176.1	-74.9	171	177.6	0	0	113	K216 Q218 Q222	K216-E220 WeakPolarHBondContact CE-OE1 3.4Å; K216-E220 WeakPolarHBondContact O-CG 3.4Å; K216-E220 PolarHBondContact O-N 3.24Å; Q218-E220 VanDerWaalsContact C-N 3.33Å; Q218-E220 PolarHBondContact O-N 3.24Å; E220-Q222 VanDerWaalsContact C-N 3.34Å
221	R	56.1	Low	57.3	Low	218 Å²	218	114.7 Å²	114.7	82%	0.823	50%	0.502	S	S	*	.	H	α-helix	trans	-78.4	-15.4	177.3	-77.1	180	179.5	-174.1	-1.5	114.3	R217 Q218	R217-R221 WeakPolarHBondContact O-CB 3.3Å; R217-R221 WeakPolarHBondContact O-CG 3.25Å; R217-R221 PolarHBondContact O-N 3.16Å; R217-R221 VanDerWaalsContact O-N 3.09Å; Q218-R221 PolarHBondContact O-N 2.92Å
222	Q	51.1	Low	56.8	Low	141 Å²	141	119.7 Å²	119.7	66%	0.659	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.3	0.9	178.1	-72.9	-175	-22.9	0	0	113.3	Q218 E220	Q218-Q222 WeakPolarHBondContact O-CG 3.47Å; Q218-Q222 PolarHBondContact O-N 3.39Å; E220-Q222 VanDerWaalsContact C-N 3.34Å
223	R	46.8	Very low	56.3	Low	254 Å²	254	120.5 Å²	120.5	96%	0.958	52%	0.519	S	S	*	.			trans	-100.4	0	168.3	-73.2	-174.3	-176.9	-175.6	0.7	110.2

Retrieved 223 of 223 residues in 163.2 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).