A0A067ZUK7_HUMAN Loading...

Nuclear pore complex-interacting protein

AlphaFold DB , UniProt , Accession A0A067ZUK7, Species HUMAN (Homo sapiens, Human), Gene NPIP, Length 230 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	C	35.9	Very low	35.4	Very low	186 Å²	186	147.5 Å²	147.5	100%	1.257	87%	0.87	S	S	*	*				0	122.2	0	-60.6	0	0	0	0	109
2	C	39.8	Very low	35.2	Very low	120 Å²	120	144.6 Å²	144.6	81%	0.811	86%	0.861	S	S	*	*			trans	-74	175.1	166.7	-57.3	0	0	0	0	110.7
3	L	36.5	Very low	36.1	Very low	179 Å²	179	142.5 Å²	142.5	94%	0.937	85%	0.85	S	S	*	*			trans	108.6	127.7	171.1	-59.5	162.6	0	0	0	112.3
4	G	30.8	Very low	36.8	Very low	67 Å²	67	140.6 Å²	140.6	69%	0.691	84%	0.84	S	S	*	*			cis	-171.4	165.7	12	0	0	0	0	0	112
5	Y	35	Very low	36.7	Very low	216 Å²	216	145.9 Å²	145.9	85%	0.847	84%	0.84	S	S	*	*			trans	-76.9	159.7	-177.1	-55.6	-104.2	0	0	0	111
6	E	35.1	Very low	36.9	Very low	195 Å²	195	147.3 Å²	147.3	91%	0.911	84%	0.836	S	S	*	*				-176.7	150	121.4	-101.6	173.7	-179.4	0	0	114.3
7	W	40	Very low	37.4	Very low	225 Å²	225	143.7 Å²	143.7	85%	0.852	82%	0.822	S	S	*	*			trans	-91.1	168.9	-168.8	-80.2	69.5	0	0	0	113
8	L	34.4	Very low	37.5	Very low	164 Å²	164	139.4 Å²	139.4	86%	0.859	81%	0.807	S	S	*	*			trans	159.1	103.1	132.7	-82.7	162.2	0	0	0	108.7
9	S	37.5	Very low	37.5	Very low	116 Å²	116	141.9 Å²	141.9	81%	0.811	80%	0.802	S	S	*	*				70.3	116	84.9	-164.1	0	0	0	0	114.3
10	G	32.3	Very low	37.8	Very low	78 Å²	78	139.3 Å²	139.3	80%	0.804	79%	0.789	S	S	*	*			trans	161.1	103.6	160.3	0	0	0	0	0	116.9
11	G	32.1	Very low	38	Very low	77 Å²	77	138.6 Å²	138.6	79%	0.794	78%	0.782	S	S	*	*			trans	84.6	90.5	151.7	0	0	0	0	0	116.5
12	C	33.1	Very low	38.2	Very low	112 Å²	112	135.8 Å²	135.8	76%	0.757	75%	0.754	S	S	*	*				56.4	104.3	77.5	-145.1	0	0	0	0	115.1
13	T	46.9	Very low	38.2	Very low	118 Å²	118	133.6 Å²	133.6	72%	0.724	74%	0.737	S	S	*	*			trans	45.8	108.9	143.9	58.5	0	0	0	0	118.4
14	T	46	Very low	38.3	Very low	115 Å²	115	131.8 Å²	131.8	71%	0.706	73%	0.728	S	S	*	*			trans	-173.8	10.8	146.3	20	0	0	0	0	116.8
15	W	35.8	Very low	38.6	Very low	221 Å²	221	132 Å²	132	84%	0.837	72%	0.723	S	S	*	*	S	Bend	trans	-113.6	-16.7	-173.5	-75.3	87.4	0	0	0	116.5
16	H	39.7	Very low	38.8	Very low	167 Å²	167	129.2 Å²	129.2	77%	0.773	72%	0.722	S	S	*	*	H	α-helix	trans	-87.2	-24	-173.4	-95.1	-80.7	0	0	0	115.4	V20	H16-V20 WeakPolarHBondContact O-CG2 3.16Å
17	S	44.3	Very low	39.2	Very low	87 Å²	87	127.5 Å²	127.5	61%	0.608	71%	0.714	S	S	*	*	H	α-helix	trans	-90.2	-22.1	-177.4	36.9	0	0	0	0	114.3
18	A	40.6	Very low	39.2	Very low	66 Å²	66	127 Å²	127	55%	0.545	71%	0.712	S	S	.	*	H	α-helix	trans	-78.9	-29.9	174.9	0	0	0	0	0	112.6	N22	A18-N22 PolarHBondContact O-N 3.06Å
19	W	37.6	Very low	39.4	Very low	188 Å²	188	127.7 Å²	127.7	71%	0.712	71%	0.711	S	S	*	*	H	α-helix	trans	-72.1	-45.3	-179.8	-150.9	64.2	0	0	0	110.9	I21 N22 T23	W19-I21 VanDerWaalsContact C-N 3.32Å; W19-I21 PolarHBondContact O-N 3.3Å; W19-N22 PolarHBondContact O-N 3.44Å; W19-T23 PolarHBondContact O-N 3.49Å; W19-T23 PolarHBondContact O-OG1 3.25Å
20	V	42.8	Very low	39.3	Very low	89 Å²	89	134.2 Å²	134.2	54%	0.539	72%	0.718	S	S	.	*	H	α-helix	trans	-65.2	-30.1	-176	178.1	0	0	0	0	113.4	H16 L24	H16-V20 WeakPolarHBondContact O-CG2 3.16Å; V20-L24 PolarHBondContact O-N 2.98Å
21	I	41.8	Very low	39.3	Very low	124 Å²	124	133.8 Å²	133.8	64%	0.636	71%	0.713	S	S	*	*	H	α-helix	trans	-77.7	-35.3	177.7	-60.6	175.3	0	0	0	111.2	W19 A25	W19-I21 VanDerWaalsContact C-N 3.32Å; W19-I21 PolarHBondContact O-N 3.3Å; I21-A25 PolarHBondContact O-N 3.03Å
22	N	39.3	Very low	40	Very low	128 Å²	128	135.9 Å²	135.9	68%	0.684	71%	0.711	S	S	*	*	H	α-helix	trans	-73.5	-30.1	173.9	-98	-11.2	0	0	0	112.9	A18 W19 L24	A18-N22 PolarHBondContact O-N 3.06Å; W19-N22 PolarHBondContact O-N 3.44Å; N22-L24 VanDerWaalsContact C-N 3.31Å; N22-L24 PolarHBondContact O-N 3.35Å
23	T	41.7	Very low	40.5	Very low	74 Å²	74	138.4 Å²	138.4	45%	0.454	72%	0.717	S	S	.	*	H	α-helix	trans	-77.2	-16.8	178	-31.4	0	0	0	0	113.1	W19	W19-T23 PolarHBondContact O-N 3.49Å; W19-T23 PolarHBondContact O-OG1 3.25Å
24	L	38.1	Very low	39.9	Very low	141 Å²	141	142 Å²	142	74%	0.738	72%	0.723	S	S	*	*	H	α-helix	trans	-99.4	-25.2	-179.1	-143.4	81.5	0	0	0	113.9	V20 N22	V20-L24 PolarHBondContact O-N 2.98Å; N22-L24 VanDerWaalsContact C-N 3.31Å; N22-L24 PolarHBondContact O-N 3.35Å
25	A	36.8	Very low	39.6	Very low	71 Å²	71	139.7 Å²	139.7	59%	0.587	72%	0.722	S	S	*	*	H	α-helix	trans	-86.1	-28.1	-175	0	0	0	0	0	114.5	I21 H27	I21-A25 PolarHBondContact O-N 3.03Å; A25-H27 PolarHBondContact O-N 3.45Å
26	D	39.3	Very low	39.9	Very low	157 Å²	157	131.7 Å²	131.7	84%	0.84	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.2	7.1	-179.7	-148.6	45.2	0	0	0	113.2
27	H	43	Very low	40.5	Very low	160 Å²	160	127 Å²	127	74%	0.741	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89	5.2	177.4	-102.6	-26.5	0	0	0	115	A25	A25-H27 PolarHBondContact O-N 3.45Å
28	R	40.4	Very low	41.1	Very low	215 Å²	215	127.4 Å²	127.4	81%	0.811	69%	0.694	S	S	*	*	S	Bend	trans	-140.2	103.7	178.2	-72.2	-165.5	178.4	-161.1	1.1	113.9
29	H	37.5	Very low	41.4	Very low	178 Å²	178	129.8 Å²	129.8	82%	0.824	69%	0.689	S	S	*	*			trans	90.1	98.8	156.3	-63.3	-77.1	0	0	0	118.5
30	R	36.8	Very low	42.1	Very low	253 Å²	253	125.5 Å²	125.5	96%	0.955	68%	0.68	S	S	*	*				-167.3	128.6	112.9	-119.8	171.4	167.3	-178.7	-4.3	113.6
31	G	31.6	Very low	42.7	Very low	69 Å²	69	126.8 Å²	126.8	71%	0.711	68%	0.683	S	S	*	*			trans	83.7	84.1	157.4	0	0	0	0	0	115	D33	G31-D33 PolarHBondContact O-N 3.33Å
32	T	47.1	Very low	43.4	Very low	121 Å²	121	125 Å²	125	74%	0.742	67%	0.673	S	S	*	*			trans	-25.7	120.9	140.7	36.3	0	0	0	0	111.9
33	D	43.4	Very low	44.2	Very low	165 Å²	165	122.4 Å²	122.4	88%	0.882	66%	0.659	S	S	*	*			trans	-157.1	83.2	136.8	-85.3	-31.6	0	0	0	108.9	G31 G35	G31-D33 PolarHBondContact O-N 3.33Å; D33-G35 PolarHBondContact O-N 2.87Å
34	F	34.6	Very low	44.9	Very low	193 Å²	193	122.7 Å²	122.7	85%	0.846	66%	0.661	S	S	*	*			trans	-37.8	128.2	159	-96.6	-103.7	0	0	0	110.9	G36	F34-G36 PolarHBondContact O-N 3.11Å
35	G	40.3	Very low	45.7	Very low	67 Å²	67	120.3 Å²	120.3	69%	0.691	65%	0.652	S	S	*	*				41.6	40.3	118	0	0	0	0	0	116.9	D33 S37	D33-G35 PolarHBondContact O-N 2.87Å; G35-S37 PolarHBondContact O-N 3.11Å
36	G	41.8	Very low	46.3	Very low	52 Å²	52	122.6 Å²	122.6	54%	0.536	65%	0.649	S	S	.	*			trans	-75.4	75.5	178.5	0	0	0	0	0	108.4	F34 P38	F34-G36 PolarHBondContact O-N 3.11Å; G36-P38 VanDerWaalsContact O-N 3.16Å
37	S	52.3	Low	47.1	Very low	69 Å²	69	119.6 Å²	119.6	48%	0.483	63%	0.632	S	S	.	*			trans	-42.1	125.5	168.5	-73.9	0	0	0	0	107.6	G35 W39 L40	G35-S37 PolarHBondContact O-N 3.11Å; S37-W39 CarbonylContact O-C 3.59Å; S37-W39 PolarHBondContact O-N 3.45Å; S37-L40 PolarHBondContact O-N 3.02Å
38	P	56.4	Low	47.4	Very low	95 Å²	95	120.6 Å²	120.6	62%	0.617	63%	0.629	S	S	*	*	H	α-helix	trans	-47.2	-27.5	178.4	-31	35	0	0	0	112.9	G36 L40 L41 I42	G36-P38 VanDerWaalsContact O-N 3.16Å; P38-L40 PolarHBondContact O-N 3.34Å; P38-L41 PolarHBondContact O-N 3.27Å; P38-I42 WeakPolarHBondContact O-CD1 3.44Å; P38-I42 VanDerWaalsContact O-CG1 3.24Å; P38-I42 WeakPolarHBondContact O-CG1 3.47Å; P38-I42 PolarHBondContact O-N 3.17Å
39	W	47.7	Very low	48.1	Very low	117 Å²	117	113.3 Å²	113.3	44%	0.443	61%	0.612	S	S	.	*	H	α-helix	trans	-53	-40.5	168	-94.5	81.3	0	0	0	116.5	S37 I42 I43 V115	S37-W39 CarbonylContact O-C 3.59Å; S37-W39 PolarHBondContact O-N 3.45Å; W39-I42 PolarHBondContact O-N 3.28Å; W39-I43 HydrophobicContact CE3-CD1 4.02Å; W39-I43 HydrophobicContact CE3-CG1 4.42Å; W39-I43 WeakPolarHBondContact O-CB 3.39Å; W39-I43 WeakPolarHBondContact O-CD1 3.48Å; W39-I43 WeakPolarHBondContact O-CG1 3.19Å; W39-I43 PolarHBondContact O-N 2.94Å; W39-V115 HydrophobicContact CH2-CG1 3.95Å; W39-V115 HydrophobicContact CZ3-CG1 4.25Å
40	L	50.6	Low	49	Very low	98 Å²	98	110.6 Å²	110.6	51%	0.513	60%	0.595	S	S	.	*	H	α-helix	trans	-70.9	-35.6	177.5	-71.6	174.5	0	0	0	111.8	S37 P38 T44	S37-L40 PolarHBondContact O-N 3.02Å; P38-L40 PolarHBondContact O-N 3.34Å; L40-T44 WeakPolarHBondContact O-CB 3.33Å; L40-T44 WeakPolarHBondContact O-CG2 3.49Å; L40-T44 PolarHBondContact O-N 2.87Å; L40-T44 PolarHBondContact O-OG1 3.44Å
41	L	56.2	Low	49.8	Very low	115 Å²	115	105.9 Å²	105.9	60%	0.602	58%	0.581	S	S	*	*	H	α-helix	trans	-66.1	-42.4	171.2	-74	170.4	0	0	0	110.8	P38 T44 V45	P38-L41 PolarHBondContact O-N 3.27Å; L41-T44 WeakPolarHBondContact CA-OG1 3.32Å; L41-T44 PolarHBondContact O-N 3.13Å; L41-T44 PolarHBondContact O-OG1 3.32Å; L41-T44 VanDerWaalsContact O-OG1 3.1Å; L41-V45 VanDerWaalsContact O-CB 3.27Å; L41-V45 WeakPolarHBondContact O-CB 3.49Å; L41-V45 WeakPolarHBondContact O-CG2 3.39Å; L41-V45 PolarHBondContact O-N 2.98Å
42	I	57	Low	50.6	Low	86 Å²	86	108.9 Å²	108.9	44%	0.441	58%	0.575	S	S	.	*	H	α-helix	trans	-62.3	-46.4	175.2	-66.6	162.1	0	0	0	110.8	P38 W39 V45 F46	P38-I42 WeakPolarHBondContact O-CD1 3.44Å; P38-I42 VanDerWaalsContact O-CG1 3.24Å; P38-I42 WeakPolarHBondContact O-CG1 3.47Å; P38-I42 PolarHBondContact O-N 3.17Å; W39-I42 PolarHBondContact O-N 3.28Å; I42-V45 PolarHBondContact O-N 3.49Å; I42-F46 WeakPolarHBondContact O-CB 3.48Å; I42-F46 PolarHBondContact O-N 2.73Å
43	I	55.5	Low	51	Low	74 Å²	74	105.9 Å²	105.9	38%	0.379	56%	0.563	S	S	.	*	H	α-helix	trans	-63	-44.7	178.5	-72	164.4	0	0	0	111.1	W39 F46 L47	W39-I43 HydrophobicContact CE3-CD1 4.02Å; W39-I43 HydrophobicContact CE3-CG1 4.42Å; W39-I43 WeakPolarHBondContact O-CB 3.39Å; W39-I43 WeakPolarHBondContact O-CD1 3.48Å; W39-I43 WeakPolarHBondContact O-CG1 3.19Å; W39-I43 PolarHBondContact O-N 2.94Å; I43-F46 PolarHBondContact O-N 3.39Å; I43-L47 HydrophobicContact CG2-CD1 3.63Å; I43-L47 WeakPolarHBondContact O-CB 2.81Å; I43-L47 WeakPolarHBondContact O-CD1 3.3Å; I43-L47 PolarHBondContact O-N 2.97Å
44	T	57.1	Low	51.9	Low	80 Å²	80	101.5 Å²	101.5	49%	0.491	54%	0.539	S	S	.	.	H	α-helix	trans	-69.1	-39.5	179.2	42.8	0	0	0	0	112.4	L40 L41 F46 L47 R48	L40-T44 WeakPolarHBondContact O-CB 3.33Å; L40-T44 WeakPolarHBondContact O-CG2 3.49Å; L40-T44 PolarHBondContact O-N 2.87Å; L40-T44 PolarHBondContact O-OG1 3.44Å; L41-T44 WeakPolarHBondContact CA-OG1 3.32Å; L41-T44 PolarHBondContact O-N 3.13Å; L41-T44 PolarHBondContact O-OG1 3.32Å; L41-T44 VanDerWaalsContact O-OG1 3.1Å; T44-F46 VanDerWaalsContact C-N 3.35Å; T44-L47 PolarHBondContact O-N 2.89Å; T44-R48 WeakPolarHBondContact O-CB 3.18Å; T44-R48 PolarHBondContact O-N 2.97Å
45	V	54.7	Low	52.8	Low	91 Å²	91	95.8 Å²	95.8	55%	0.552	52%	0.522	S	S	*	.	H	α-helix	trans	-63.3	-42.3	172.6	171.4	0	0	0	0	110.4	L41 I42 R48 S49	L41-V45 VanDerWaalsContact O-CB 3.27Å; L41-V45 WeakPolarHBondContact O-CB 3.49Å; L41-V45 WeakPolarHBondContact O-CG2 3.39Å; L41-V45 PolarHBondContact O-N 2.98Å; I42-V45 PolarHBondContact O-N 3.49Å; V45-R48 PolarHBondContact O-N 2.92Å; V45-S49 WeakPolarHBondContact O-CB 3.4Å; V45-S49 PolarHBondContact O-N 2.93Å; V45-S49 PolarHBondContact O-OG 2.97Å; V45-S49 VanDerWaalsContact O-OG 3.04Å
46	F	49.8	Very low	53.5	Low	120 Å²	120	96.6 Å²	96.6	53%	0.526	51%	0.511	S	S	.	.	H	α-helix	trans	-65.4	-44	178.1	-161.1	-94	0	0	0	112.2	I42 I43 T44 R48 S49 Y50 W108	I42-F46 WeakPolarHBondContact O-CB 3.48Å; I42-F46 PolarHBondContact O-N 2.73Å; I43-F46 PolarHBondContact O-N 3.39Å; T44-F46 VanDerWaalsContact C-N 3.35Å; F46-R48 PolarHBondContact O-N 2.76Å; F46-S49 PolarHBondContact O-N 3.44Å; F46-Y50 VanDerWaalsContact O-CB 3.31Å; F46-Y50 WeakPolarHBondContact O-CB 3.28Å; F46-Y50 PolarHBondContact O-N 2.9Å; F46-W108 AromaticContact CE1-NE1 3.81Å; F46-W108 AromaticContact CZ-NE1 3.88Å
47	L	54.5	Low	54	Low	93 Å²	93	96.8 Å²	96.8	49%	0.487	50%	0.503	S	S	.	.	H	α-helix	trans	-64	-37.9	174.3	-89.8	151	0	0	0	112.6	I43 T44 Y50 K51	I43-L47 HydrophobicContact CG2-CD1 3.63Å; I43-L47 WeakPolarHBondContact O-CB 2.81Å; I43-L47 WeakPolarHBondContact O-CD1 3.3Å; I43-L47 PolarHBondContact O-N 2.97Å; T44-L47 PolarHBondContact O-N 2.89Å; L47-Y50 PolarHBondContact O-N 3.27Å; L47-K51 PolarHBondContact O-N 2.93Å
48	R	49.8	Very low	54	Low	181 Å²	181	97 Å²	97	68%	0.683	50%	0.501	S	S	*	.	H	α-helix	trans	-69	-43	177.4	-170.4	172	179.8	132.4	-1.3	111.2	T44 V45 F46 K51 F52	T44-R48 WeakPolarHBondContact O-CB 3.18Å; T44-R48 PolarHBondContact O-N 2.97Å; V45-R48 PolarHBondContact O-N 2.92Å; F46-R48 PolarHBondContact O-N 2.76Å; R48-K51 PolarHBondContact O-N 3Å; R48-F52 PolarHBondContact O-N 3.25Å
49	S	56.4	Low	53.9	Low	63 Å²	63	95.2 Å²	95.2	44%	0.441	49%	0.491	S	S	.	.	H	α-helix	trans	-64.5	-38.4	173.9	-65.2	0	0	0	0	112.2	V45 F46 F52 A53	V45-S49 WeakPolarHBondContact O-CB 3.4Å; V45-S49 PolarHBondContact O-N 2.93Å; V45-S49 PolarHBondContact O-OG 2.97Å; V45-S49 VanDerWaalsContact O-OG 3.04Å; F46-S49 PolarHBondContact O-N 3.44Å; S49-F52 CarbonylContact O-C 3.55Å; S49-F52 WeakPolarHBondContact O-CB 3.44Å; S49-F52 PolarHBondContact O-N 3.48Å; S49-A53 WeakPolarHBondContact O-CB 3.38Å; S49-A53 PolarHBondContact O-N 3.41Å
50	Y	55.6	Low	54.3	Low	121 Å²	121	96.9 Å²	96.9	48%	0.475	50%	0.498	S	S	.	.	H	α-helix	trans	-62.8	-46.5	174.4	164.5	-98.9	0	0	0	112.4	F46 L47 F52 A53 I54	F46-Y50 VanDerWaalsContact O-CB 3.31Å; F46-Y50 WeakPolarHBondContact O-CB 3.28Å; F46-Y50 PolarHBondContact O-N 2.9Å; L47-Y50 PolarHBondContact O-N 3.27Å; Y50-F52 PolarHBondContact O-N 3.23Å; Y50-A53 PolarHBondContact O-N 3.43Å; Y50-I54 HydrophobicContact CD1-CD1 4.28Å; Y50-I54 HydrophobicContact CD2-CD1 4.04Å; Y50-I54 HydrophobicContact CD2-CG1 4.34Å; Y50-I54 HydrophobicContact CE1-CD1 3.59Å; Y50-I54 HydrophobicContact CE2-CD1 3.31Å; Y50-I54 HydrophobicContact CE2-CG1 4.02Å; Y50-I54 HydrophobicContact CG-CD1 4.48Å; Y50-I54 PolarHBondContact O-N 2.99Å; Y50-I54 WeakPolarHBondContact OH-CD1 3.48Å
51	K	54.4	Low	54.5	Low	154 Å²	154	97.4 Å²	97.4	67%	0.67	50%	0.501	S	S	*	.	H	α-helix	trans	-60.2	-37	174.1	-81.8	-174.7	170.4	176.6	0	111.7	L47 R48 S55	L47-K51 PolarHBondContact O-N 2.93Å; R48-K51 PolarHBondContact O-N 3Å; K51-S55 WeakPolarHBondContact O-CB 3.36Å; K51-S55 PolarHBondContact O-N 3.22Å
52	F	46.5	Very low	54.2	Low	131 Å²	131	95 Å²	95	58%	0.575	49%	0.494	S	S	*	.	H	α-helix	trans	-66.9	-43.5	173.7	-104.5	-86.8	0	0	0	112.8	R48 S49 Y50 S55 L56	R48-F52 PolarHBondContact O-N 3.25Å; S49-F52 CarbonylContact O-C 3.55Å; S49-F52 WeakPolarHBondContact O-CB 3.44Å; S49-F52 PolarHBondContact O-N 3.48Å; Y50-F52 PolarHBondContact O-N 3.23Å; F52-S55 PolarHBondContact O-N 3.42Å; F52-L56 WeakPolarHBondContact O-CB 3.35Å; F52-L56 VanDerWaalsContact O-CG 3.26Å; F52-L56 WeakPolarHBondContact O-CG 3.38Å; F52-L56 PolarHBondContact O-N 3.3Å
53	A	56.4	Low	53.9	Low	59 Å²	59	95.4 Å²	95.4	49%	0.488	50%	0.5	S	S	.	.	H	α-helix	trans	-64.7	-42.9	178.5	0	0	0	0	0	111.7	S49 Y50 L56 C57	S49-A53 WeakPolarHBondContact O-CB 3.38Å; S49-A53 PolarHBondContact O-N 3.41Å; Y50-A53 PolarHBondContact O-N 3.43Å; A53-L56 PolarHBondContact O-N 2.96Å; A53-C57 WeakPolarHBondContact O-CB 3.27Å; A53-C57 PolarHBondContact O-N 3.31Å
54	I	61.8	Low	53.8	Low	73 Å²	73	94.5 Å²	94.5	37%	0.374	50%	0.5	S	S	.	.	H	α-helix	trans	-64.5	-46	173.9	-70.7	-174	0	0	0	110.9	Y50 L56 C57 T58	Y50-I54 HydrophobicContact CD1-CD1 4.28Å; Y50-I54 HydrophobicContact CD2-CD1 4.04Å; Y50-I54 HydrophobicContact CD2-CG1 4.34Å; Y50-I54 HydrophobicContact CE1-CD1 3.59Å; Y50-I54 HydrophobicContact CE2-CD1 3.31Å; Y50-I54 HydrophobicContact CE2-CG1 4.02Å; Y50-I54 HydrophobicContact CG-CD1 4.48Å; Y50-I54 PolarHBondContact O-N 2.99Å; Y50-I54 WeakPolarHBondContact OH-CD1 3.48Å; I54-L56 VanDerWaalsContact C-N 3.29Å; I54-L56 PolarHBondContact O-N 3.29Å; I54-C57 PolarHBondContact O-N 2.8Å; I54-C57 VanDerWaalsContact O-N 3.12Å; I54-T58 WeakPolarHBondContact O-CB 3.46Å; I54-T58 PolarHBondContact O-N 2.79Å; I54-T58 PolarHBondContact O-OG1 2.97Å
55	S	53.8	Low	53.1	Low	72 Å²	72	97.1 Å²	97.1	50%	0.503	50%	0.504	S	S	.	.	H	α-helix	trans	-58.9	-41.5	177.3	-180	0	0	0	0	112.2	K51 F52 S59	K51-S55 WeakPolarHBondContact O-CB 3.36Å; K51-S55 PolarHBondContact O-N 3.22Å; F52-S55 PolarHBondContact O-N 3.42Å; S55-S59 VanDerWaalsContact O-CB 3.32Å; S55-S59 WeakPolarHBondContact O-CB 3.4Å; S55-S59 PolarHBondContact O-N 3.02Å; S55-S59 PolarHBondContact O-OG 3.45Å
56	L	55.8	Low	52.9	Low	85 Å²	85	97.6 Å²	97.6	45%	0.445	50%	0.503	S	S	.	.	H	α-helix	trans	-66.6	-40	174.7	-73.8	169.1	0	0	0	111.9	F52 A53 I54 S59 Y60	F52-L56 WeakPolarHBondContact O-CB 3.35Å; F52-L56 VanDerWaalsContact O-CG 3.26Å; F52-L56 WeakPolarHBondContact O-CG 3.38Å; F52-L56 PolarHBondContact O-N 3.3Å; A53-L56 PolarHBondContact O-N 2.96Å; I54-L56 VanDerWaalsContact C-N 3.29Å; I54-L56 PolarHBondContact O-N 3.29Å; L56-S59 WeakPolarHBondContact CA-OG 3.27Å; L56-S59 PolarHBondContact O-OG 2.94Å; L56-Y60 WeakPolarHBondContact O-CB 3.46Å; L56-Y60 PolarHBondContact O-N 3.3Å
57	C	51.9	Low	52.8	Low	56 Å²	56	100 Å²	100	38%	0.378	51%	0.513	S	S	.	.	H	α-helix	trans	-67.2	-43.8	177.3	-152.7	0	0	0	0	111.3	A53 I54 Y60 L61	A53-C57 WeakPolarHBondContact O-CB 3.27Å; A53-C57 PolarHBondContact O-N 3.31Å; I54-C57 PolarHBondContact O-N 2.8Å; I54-C57 VanDerWaalsContact O-N 3.12Å; C57-Y60 PolarHBondContact O-N 3.4Å; C57-L61 VanDerWaalsContact O-CB 3.31Å; C57-L61 WeakPolarHBondContact O-CB 3.44Å; C57-L61 WeakPolarHBondContact O-CG 3.33Å; C57-L61 PolarHBondContact O-N 2.95Å
58	T	51.8	Low	52.5	Low	73 Å²	73	100.3 Å²	100.3	45%	0.448	52%	0.52	S	S	.	.	H	α-helix	trans	-65.1	-45	177	-56.6	0	0	0	0	111.3	I54 Y60 L61 C62	I54-T58 WeakPolarHBondContact O-CB 3.46Å; I54-T58 PolarHBondContact O-N 2.79Å; I54-T58 PolarHBondContact O-OG1 2.97Å; T58-Y60 PolarHBondContact O-N 3.34Å; T58-L61 PolarHBondContact O-N 3.02Å; T58-C62 VanDerWaalsContact O-CB 3.31Å; T58-C62 WeakPolarHBondContact O-CB 3.39Å; T58-C62 PolarHBondContact O-N 3.43Å; T58-C62 PolarHBondContact O-SG 2.96Å
59	S	54.4	Low	52.1	Low	57 Å²	57	96.5 Å²	96.5	40%	0.399	51%	0.512	S	S	.	.	H	α-helix	trans	-65.4	-38.2	176.5	55.4	0	0	0	0	112.3	S55 L56 C62 V63	S55-S59 VanDerWaalsContact O-CB 3.32Å; S55-S59 WeakPolarHBondContact O-CB 3.4Å; S55-S59 PolarHBondContact O-N 3.02Å; S55-S59 PolarHBondContact O-OG 3.45Å; L56-S59 WeakPolarHBondContact CA-OG 3.27Å; L56-S59 PolarHBondContact O-OG 2.94Å; S59-C62 PolarHBondContact O-N 3.34Å; S59-V63 VanDerWaalsContact O-CG2 3.29Å; S59-V63 WeakPolarHBondContact O-CG2 3.48Å; S59-V63 PolarHBondContact O-N 3.34Å
60	Y	55.9	Low	51.3	Low	152 Å²	152	101 Å²	101	60%	0.596	52%	0.523	S	S	*	.	H	α-helix	trans	-69.5	-39.3	176.7	-161.4	-95.5	0	0	0	112.4	L56 C57 T58 V63 S64	L56-Y60 WeakPolarHBondContact O-CB 3.46Å; L56-Y60 PolarHBondContact O-N 3.3Å; C57-Y60 PolarHBondContact O-N 3.4Å; T58-Y60 PolarHBondContact O-N 3.34Å; Y60-V63 PolarHBondContact O-N 3.33Å; Y60-S64 WeakPolarHBondContact O-CB 3.48Å; Y60-S64 PolarHBondContact O-N 3.11Å; Y60-S64 PolarHBondContact O-OG 3.28Å
61	L	54.9	Low	50.7	Low	110 Å²	110	100.2 Å²	100.2	58%	0.576	53%	0.534	S	S	*	.	H	α-helix	trans	-64.5	-41.1	171.3	-73.2	169	0	0	0	111.1	C57 T58 S64 F65	C57-L61 VanDerWaalsContact O-CB 3.31Å; C57-L61 WeakPolarHBondContact O-CB 3.44Å; C57-L61 WeakPolarHBondContact O-CG 3.33Å; C57-L61 PolarHBondContact O-N 2.95Å; T58-L61 PolarHBondContact O-N 3.02Å; L61-S64 WeakPolarHBondContact O-CB 3.46Å; L61-S64 PolarHBondContact O-N 3.31Å; L61-F65 WeakPolarHBondContact O-CB 3.4Å; L61-F65 PolarHBondContact O-N 2.78Å
62	C	51	Low	50	Low	65 Å²	65	97.7 Å²	97.7	44%	0.439	54%	0.535	S	S	.	.	H	α-helix	trans	-63.4	-42.4	174.7	-78.4	0	0	0	0	112.7	T58 S59 S64 F65 L66	T58-C62 VanDerWaalsContact O-CB 3.31Å; T58-C62 WeakPolarHBondContact O-CB 3.39Å; T58-C62 PolarHBondContact O-N 3.43Å; T58-C62 PolarHBondContact O-SG 2.96Å; S59-C62 PolarHBondContact O-N 3.34Å; C62-S64 VanDerWaalsContact C-N 3.3Å; C62-S64 PolarHBondContact O-N 3.44Å; C62-F65 PolarHBondContact O-N 2.89Å; C62-L66 VanDerWaalsContact O-CB 3.31Å; C62-L66 WeakPolarHBondContact O-CB 3.16Å; C62-L66 WeakPolarHBondContact O-CD1 3.3Å; C62-L66 VanDerWaalsContact O-CG 3.31Å; C62-L66 WeakPolarHBondContact O-CG 3.41Å; C62-L66 PolarHBondContact O-N 3.29Å
63	V	49.8	Very low	49.8	Very low	94 Å²	94	100.7 Å²	100.7	57%	0.57	55%	0.551	S	S	*	*	H	α-helix	trans	-65.4	-36.5	175.2	171.8	0	0	0	0	111	S59 Y60 K67	S59-V63 VanDerWaalsContact O-CG2 3.29Å; S59-V63 WeakPolarHBondContact O-CG2 3.48Å; S59-V63 PolarHBondContact O-N 3.34Å; Y60-V63 PolarHBondContact O-N 3.33Å; V63-K67 VanDerWaalsContact O-CB 3.31Å; V63-K67 WeakPolarHBondContact O-CB 3.46Å; V63-K67 PolarHBondContact O-N 3.23Å; V63-K67 VanDerWaalsContact O-N 3.12Å
64	S	53.8	Low	49.1	Very low	54 Å²	54	104.9 Å²	104.9	38%	0.378	57%	0.565	S	S	.	*	H	α-helix	trans	-67	-39.7	174.9	-56.2	0	0	0	0	111.6	Y60 L61 C62 K67 T68	Y60-S64 WeakPolarHBondContact O-CB 3.48Å; Y60-S64 PolarHBondContact O-N 3.11Å; Y60-S64 PolarHBondContact O-OG 3.28Å; L61-S64 WeakPolarHBondContact O-CB 3.46Å; L61-S64 PolarHBondContact O-N 3.31Å; C62-S64 VanDerWaalsContact C-N 3.3Å; C62-S64 PolarHBondContact O-N 3.44Å; S64-K67 PolarHBondContact O-N 2.97Å; S64-T68 PolarHBondContact O-N 2.99Å; S64-T68 PolarHBondContact O-OG1 3.45Å
65	F	43	Very low	48	Very low	135 Å²	135	105 Å²	105	59%	0.592	58%	0.584	S	S	*	*	H	α-helix	trans	-74.4	-38.9	179.7	-152.7	-103.8	0	0	0	112.7	L61 C62 K67 T68 I69	L61-F65 WeakPolarHBondContact O-CB 3.4Å; L61-F65 PolarHBondContact O-N 2.78Å; C62-F65 PolarHBondContact O-N 2.89Å; F65-K67 VanDerWaalsContact C-N 3.27Å; F65-K67 PolarHBondContact O-N 3.36Å; F65-T68 VanDerWaalsContact C-OG1 3.32Å; F65-T68 VanDerWaalsContact CA-OG1 3.29Å; F65-T68 WeakPolarHBondContact CA-OG1 3.25Å; F65-T68 PolarHBondContact O-N 3.03Å; F65-T68 PolarHBondContact O-OG1 3.02Å; F65-I69 HydrophobicContact CD1-CD1 3.55Å; F65-I69 HydrophobicContact CD1-CG1 4.21Å; F65-I69 HydrophobicContact CE1-CD1 3.36Å; F65-I69 HydrophobicContact CE1-CG1 4.21Å; F65-I69 HydrophobicContact CZ-CD1 4.33Å; F65-I69 PolarHBondContact O-N 3Å
66	L	50.5	Low	47.5	Very low	101 Å²	101	111 Å²	111	53%	0.529	60%	0.604	S	S	.	*	H	α-helix	trans	-63.6	-35.1	173.2	-78.6	162.5	0	0	0	111.6	C62 T68 I69 F70	C62-L66 VanDerWaalsContact O-CB 3.31Å; C62-L66 WeakPolarHBondContact O-CB 3.16Å; C62-L66 WeakPolarHBondContact O-CD1 3.3Å; C62-L66 VanDerWaalsContact O-CG 3.31Å; C62-L66 WeakPolarHBondContact O-CG 3.41Å; C62-L66 PolarHBondContact O-N 3.29Å; L66-T68 VanDerWaalsContact C-N 3.26Å; L66-T68 PolarHBondContact O-N 2.87Å; L66-I69 PolarHBondContact O-N 2.91Å; L66-F70 PolarHBondContact O-N 2.9Å
67	K	47.3	Very low	46.7	Very low	170 Å²	170	114.5 Å²	114.5	74%	0.739	62%	0.623	S	S	*	*	H	α-helix	trans	-71.3	-19.3	173.8	-167.5	159.3	-176.8	152.6	0	113.5	V63 S64 F65	V63-K67 VanDerWaalsContact O-CB 3.31Å; V63-K67 WeakPolarHBondContact O-CB 3.46Å; V63-K67 PolarHBondContact O-N 3.23Å; V63-K67 VanDerWaalsContact O-N 3.12Å; S64-K67 PolarHBondContact O-N 2.97Å; F65-K67 VanDerWaalsContact C-N 3.27Å; F65-K67 PolarHBondContact O-N 3.36Å
68	T	47.3	Very low	46.5	Very low	100 Å²	100	115.8 Å²	115.8	61%	0.613	65%	0.646	S	S	*	*	H	α-helix	trans	-90	-27.4	172.1	51.8	0	0	0	0	113.7	S64 F65 L66	S64-T68 PolarHBondContact O-N 2.99Å; S64-T68 PolarHBondContact O-OG1 3.45Å; F65-T68 VanDerWaalsContact C-OG1 3.32Å; F65-T68 VanDerWaalsContact CA-OG1 3.29Å; F65-T68 WeakPolarHBondContact CA-OG1 3.25Å; F65-T68 PolarHBondContact O-N 3.03Å; F65-T68 PolarHBondContact O-OG1 3.02Å; L66-T68 VanDerWaalsContact C-N 3.26Å; L66-T68 PolarHBondContact O-N 2.87Å
69	I	42.3	Very low	46.4	Very low	102 Å²	102	114.9 Å²	114.9	52%	0.523	64%	0.643	S	S	.	*	H	α-helix	trans	-86.9	-33.5	-180	-68.6	-176	0	0	0	112.6	F65 L66 P71	F65-I69 HydrophobicContact CD1-CD1 3.55Å; F65-I69 HydrophobicContact CD1-CG1 4.21Å; F65-I69 HydrophobicContact CE1-CD1 3.36Å; F65-I69 HydrophobicContact CE1-CG1 4.21Å; F65-I69 HydrophobicContact CZ-CD1 4.33Å; F65-I69 PolarHBondContact O-N 3Å; L66-I69 PolarHBondContact O-N 2.91Å; I69-P71 VanDerWaalsContact C-CD 3.45Å; I69-P71 WeakPolarHBondContact O-CD 3.42Å
70	F	38.9	Very low	46.4	Very low	156 Å²	156	117.5 Å²	117.5	68%	0.684	66%	0.656	S	S	*	*	S	Bend	trans	-103.8	86.6	171.1	-77.5	-85.5	0	0	0	109.8	L66 S72	L66-F70 PolarHBondContact O-N 2.9Å; F70-S72 PolarHBondContact O-N 3.33Å
71	P	42.6	Very low	46.5	Very low	106 Å²	106	114.5 Å²	114.5	69%	0.688	65%	0.651	S	S	*	*			trans	-62.4	111.4	163.2	26.3	-30.1	0	0	0	106.8	I69 Q73	I69-P71 VanDerWaalsContact C-CD 3.45Å; I69-P71 WeakPolarHBondContact O-CD 3.42Å; P71-Q73 PolarHBondContact O-N 3.39Å
72	S	40.5	Very low	46.4	Very low	101 Å²	101	113.8 Å²	113.8	71%	0.706	65%	0.651	S	S	*	*			trans	-58.6	111.5	173	62.7	0	0	0	0	107.8	F70 N74	F70-S72 PolarHBondContact O-N 3.33Å; S72-N74 VanDerWaalsContact C-N 3.29Å; S72-N74 PolarHBondContact O-N 3.46Å
73	Q	42.9	Very low	46.5	Very low	194 Å²	194	118.1 Å²	118.1	91%	0.907	67%	0.665	S	S	*	*			trans	-58.4	95.5	165.1	-95.8	174.4	-5.8	0	0	107.6	P71	P71-Q73 PolarHBondContact O-N 3.39Å
74	N	41.3	Very low	46.7	Very low	146 Å²	146	118.5 Å²	118.5	78%	0.781	66%	0.66	S	S	*	*			trans	-138.4	110.4	164.4	-96.7	-8.2	0	0	0	107.4	S72	S72-N74 VanDerWaalsContact C-N 3.29Å; S72-N74 PolarHBondContact O-N 3.46Å
75	G	38.3	Very low	46.9	Very low	75 Å²	75	124.4 Å²	124.4	77%	0.773	67%	0.674	S	S	*	*			trans	72.2	109.2	159.2	0	0	0	0	0	115.4	D77	G75-D77 PolarHBondContact O-N 2.96Å
76	H	42.6	Very low	47.2	Very low	199 Å²	199	120.3 Å²	120.3	92%	0.921	67%	0.665	S	S	*	*			trans	-47.6	107.6	156.2	-83.7	-71.1	0	0	0	110.3
77	D	39.4	Very low	47.2	Very low	158 Å²	158	124.5 Å²	124.5	85%	0.845	67%	0.674	S	S	*	*			trans	-148.7	105.7	143.7	-124.7	-13.9	0	0	0	109.2	G75 S79	G75-D77 PolarHBondContact O-N 2.96Å; D77-S79 PolarHBondContact O-N 3.27Å
78	G	48	Very low	47.3	Very low	84 Å²	84	124.2 Å²	124.2	87%	0.866	67%	0.668	S	S	*	*			trans	-75.4	57	-174.2	0	0	0	0	0	112.7
79	S	50.5	Low	47.3	Very low	54 Å²	54	122.2 Å²	122.2	38%	0.378	66%	0.658	S	S	.	*			trans	-93.8	97.5	169	-176.2	0	0	0	0	109.6	D77 D81 V82 Q83	D77-S79 PolarHBondContact O-N 3.27Å; S79-D81 PolarHBondContact O-N 3.4Å; S79-D81 VanDerWaalsContact O-N 3.13Å; S79-V82 PolarHBondContact O-N 2.72Å; S79-V82 VanDerWaalsContact O-N 3.11Å; S79-Q83 PolarHBondContact O-N 3.23Å
80	T	53.4	Low	47.6	Very low	111 Å²	111	121.7 Å²	121.7	68%	0.681	66%	0.657	S	S	*	*	H	α-helix	trans	-52.1	-27.5	170.3	37.8	0	0	0	0	112.1	Q84	T80-Q84 WeakPolarHBondContact O-CB 3.36Å; T80-Q84 PolarHBondContact O-N 3.08Å
81	D	57.3	Low	48.1	Very low	90 Å²	90	117.2 Å²	117.2	48%	0.481	64%	0.644	S	S	.	*	H	α-helix	trans	-66.1	-41.8	176.7	-171.6	66.8	0	0	0	112.9	S79 Q84 R85	S79-D81 PolarHBondContact O-N 3.4Å; S79-D81 VanDerWaalsContact O-N 3.13Å; D81-Q84 PolarHBondContact O-N 2.98Å; D81-R85 WeakPolarHBondContact O-CB 3.37Å; D81-R85 PolarHBondContact O-N 3.33Å
82	V	53.4	Low	48.3	Very low	95 Å²	95	121.2 Å²	121.2	58%	0.576	65%	0.645	S	S	*	*	H	α-helix	trans	-69	-42.2	-179.5	178.9	0	0	0	0	110.8	S79 R85 A86	S79-V82 PolarHBondContact O-N 2.72Å; S79-V82 VanDerWaalsContact O-N 3.11Å; V82-R85 PolarHBondContact O-N 3.09Å; V82-A86 WeakPolarHBondContact O-CB 3.46Å; V82-A86 PolarHBondContact O-N 3.38Å
83	Q	53.3	Low	48.6	Very low	155 Å²	155	122.2 Å²	122.2	72%	0.724	63%	0.633	S	S	*	*	H	α-helix	trans	-65.9	-39.6	175.4	-69.6	-161.9	-16.5	0	0	111.8	S79 A86 R87	S79-Q83 PolarHBondContact O-N 3.23Å; Q83-A86 PolarHBondContact O-N 3.23Å; Q83-R87 WeakPolarHBondContact O-CB 3.37Å; Q83-R87 PolarHBondContact O-N 3.18Å
84	Q	53.6	Low	48.6	Very low	102 Å²	102	119.6 Å²	119.6	48%	0.477	62%	0.621	S	S	.	*	H	α-helix	trans	-72	-34.7	179	-162.6	163.6	-0.4	0	0	112.1	T80 D81 R87 R88	T80-Q84 WeakPolarHBondContact O-CB 3.36Å; T80-Q84 PolarHBondContact O-N 3.08Å; D81-Q84 PolarHBondContact O-N 2.98Å; Q84-R87 PolarHBondContact O-N 3.36Å; Q84-R88 WeakPolarHBondContact O-CG 3.25Å; Q84-R88 PolarHBondContact O-N 3.44Å
85	R	58.4	Low	48.8	Very low	178 Å²	178	118.1 Å²	118.1	67%	0.672	61%	0.61	S	S	*	*	H	α-helix	trans	-67.6	-41.2	172.4	-169.3	-179.3	-81	-147.5	-2.7	111.6	D81 V82 R87 R88 S89	D81-R85 WeakPolarHBondContact O-CB 3.37Å; D81-R85 PolarHBondContact O-N 3.33Å; V82-R85 PolarHBondContact O-N 3.09Å; R85-R87 VanDerWaalsContact C-N 3.35Å; R85-R88 PolarHBondContact O-N 3.09Å; R85-S89 WeakPolarHBondContact O-CB 3.35Å; R85-S89 PolarHBondContact O-N 2.77Å
86	A	49.9	Very low	49.1	Very low	49 Å²	49	116.2 Å²	116.2	41%	0.405	59%	0.59	S	S	.	*	H	α-helix	trans	-63.3	-40	172.4	0	0	0	0	0	112	V82 Q83 S89 N90	V82-A86 WeakPolarHBondContact O-CB 3.46Å; V82-A86 PolarHBondContact O-N 3.38Å; Q83-A86 PolarHBondContact O-N 3.23Å; A86-S89 PolarHBondContact O-N 2.92Å; A86-N90 PolarHBondContact O-N 3.23Å; A86-N90 PolarHBondContact O-ND2 3.23Å
87	R	49.1	Very low	49.5	Very low	189 Å²	189	110.8 Å²	110.8	71%	0.713	57%	0.567	S	S	*	*	H	α-helix	trans	-65.2	-46.7	176.5	-162	175.4	-174.3	172.8	1.3	112.1	Q83 Q84 R85 S89 N90 C91	Q83-R87 WeakPolarHBondContact O-CB 3.37Å; Q83-R87 PolarHBondContact O-N 3.18Å; Q84-R87 PolarHBondContact O-N 3.36Å; R85-R87 VanDerWaalsContact C-N 3.35Å; R87-S89 VanDerWaalsContact C-N 3.32Å; R87-S89 PolarHBondContact O-N 2.88Å; R87-N90 PolarHBondContact O-N 2.93Å; R87-C91 PolarHBondContact O-N 3.48Å; R87-C91 PolarHBondContact O-SG 3.48Å
88	R	50.8	Low	50	Low	165 Å²	165	109.3 Å²	109.3	62%	0.623	55%	0.553	S	S	*	*	H	α-helix	trans	-61.4	-39.2	175.5	-72.7	-179.3	-168.3	-175.9	6.5	112.2	Q84 R85 R92	Q84-R88 WeakPolarHBondContact O-CG 3.25Å; Q84-R88 PolarHBondContact O-N 3.44Å; R85-R88 PolarHBondContact O-N 3.09Å; R88-R92 PolarHBondContact O-N 3.02Å
89	S	46.3	Very low	50.4	Low	57 Å²	57	109.9 Å²	109.9	40%	0.399	54%	0.535	S	S	.	.	H	α-helix	trans	-63.5	-43.4	174.8	164.9	0	0	0	0	112.3	R85 A86 R87 R93	R85-S89 WeakPolarHBondContact O-CB 3.35Å; R85-S89 PolarHBondContact O-N 2.77Å; A86-S89 PolarHBondContact O-N 2.92Å; R87-S89 VanDerWaalsContact C-N 3.32Å; R87-S89 PolarHBondContact O-N 2.88Å; S89-R93 PolarHBondContact O-N 3.04Å
90	N	49.4	Very low	50.4	Low	92 Å²	92	111.4 Å²	111.4	49%	0.492	54%	0.542	S	S	.	.	H	α-helix	trans	-69	-38.4	179.1	-79.4	-26.5	0	0	0	112.5	A86 R87 R93 Q94	A86-N90 PolarHBondContact O-N 3.23Å; A86-N90 PolarHBondContact O-ND2 3.23Å; R87-N90 PolarHBondContact O-N 2.93Å; N90-R93 PolarHBondContact O-N 2.88Å; N90-Q94 WeakPolarHBondContact O-CB 3.49Å; N90-Q94 PolarHBondContact O-N 2.9Å
91	C	48.6	Very low	50.2	Low	61 Å²	61	109.4 Å²	109.4	41%	0.412	53%	0.527	S	S	.	.	H	α-helix	trans	-60.2	-46.9	173.7	-69.3	0	0	0	0	112	R87 R93 Q94 E95	R87-C91 PolarHBondContact O-N 3.48Å; R87-C91 PolarHBondContact O-SG 3.48Å; C91-R93 VanDerWaalsContact C-N 3.33Å; C91-R93 PolarHBondContact O-N 3.2Å; C91-Q94 WeakPolarHBondContact O-CB 3.48Å; C91-Q94 PolarHBondContact O-N 3.17Å; C91-Q94 VanDerWaalsContact O-N 3.14Å; C91-E95 WeakPolarHBondContact O-CG 3.45Å; C91-E95 PolarHBondContact O-N 3.37Å
92	R	47.8	Very low	50.3	Low	191 Å²	191	109.9 Å²	109.9	72%	0.721	53%	0.526	S	S	*	.	H	α-helix	trans	-63.5	-35.5	176.3	-71.4	-172.9	-171.2	-175.9	2.2	113.2	R88 G96	R88-R92 PolarHBondContact O-N 3.02Å; R92-G96 PolarHBondContact O-N 3.06Å
93	R	47.1	Very low	50.5	Low	121 Å²	121	110.3 Å²	110.3	46%	0.457	53%	0.525	S	S	.	.	H	α-helix	trans	-65.4	-40.8	173	-85.2	-174.1	173.2	171.2	2.8	112	S89 N90 C91 E95 G96 I97	S89-R93 PolarHBondContact O-N 3.04Å; N90-R93 PolarHBondContact O-N 2.88Å; C91-R93 VanDerWaalsContact C-N 3.33Å; C91-R93 PolarHBondContact O-N 3.2Å; R93-E95 VanDerWaalsContact C-N 3.32Å; R93-G96 PolarHBondContact O-N 2.94Å; R93-I97 WeakPolarHBondContact O-CD1 3.29Å; R93-I97 VanDerWaalsContact O-CG1 3.25Å; R93-I97 WeakPolarHBondContact O-CG1 3.35Å; R93-I97 PolarHBondContact O-N 3.09Å
94	Q	42.6	Very low	50.8	Low	140 Å²	140	107.9 Å²	107.9	65%	0.654	52%	0.516	S	S	*	.	H	α-helix	trans	-67.6	-35.7	179.4	-150.1	169.6	6.5	0	0	111.2	N90 C91 I97 K98	N90-Q94 WeakPolarHBondContact O-CB 3.49Å; N90-Q94 PolarHBondContact O-N 2.9Å; C91-Q94 WeakPolarHBondContact O-CB 3.48Å; C91-Q94 PolarHBondContact O-N 3.17Å; C91-Q94 VanDerWaalsContact O-N 3.14Å; Q94-I97 PolarHBondContact O-N 3.27Å; Q94-K98 WeakPolarHBondContact O-CB 3.45Å; Q94-K98 PolarHBondContact O-N 2.99Å
95	E	45.1	Very low	50.9	Low	115 Å²	115	109.2 Å²	109.2	54%	0.537	52%	0.52	S	S	.	.	H	α-helix	trans	-63.8	-45.8	170.7	-73.3	164	-175.4	0	0	112.2	C91 R93 I97 K98 I99	C91-E95 WeakPolarHBondContact O-CG 3.45Å; C91-E95 PolarHBondContact O-N 3.37Å; R93-E95 VanDerWaalsContact C-N 3.32Å; E95-I97 VanDerWaalsContact C-N 3.33Å; E95-I97 PolarHBondContact O-N 3.36Å; E95-K98 WeakPolarHBondContact O-CB 3.33Å; E95-K98 PolarHBondContact O-N 3.27Å; E95-I99 WeakPolarHBondContact O-CG1 3.48Å; E95-I99 PolarHBondContact O-N 3.37Å
96	G	45.3	Very low	51.3	Low	35 Å²	35	104.5 Å²	104.5	36%	0.361	51%	0.512	S	S	.	.	H	α-helix	trans	-63.1	-37.6	175.9	0	0	0	0	0	113.3	R92 R93 V100	R92-G96 PolarHBondContact O-N 3.06Å; R93-G96 PolarHBondContact O-N 2.94Å; G96-V100 WeakPolarHBondContact O-CG2 3.4Å; G96-V100 PolarHBondContact O-N 2.92Å; G96-V100 VanDerWaalsContact O-N 3.17Å
97	I	49.7	Very low	51.4	Low	85 Å²	85	106.6 Å²	106.6	44%	0.436	52%	0.516	S	S	.	.	H	α-helix	trans	-66.4	-42.1	174.4	-71.4	166.1	0	0	0	110.5	R93 Q94 E95 I99 V100 L101	R93-I97 WeakPolarHBondContact O-CD1 3.29Å; R93-I97 VanDerWaalsContact O-CG1 3.25Å; R93-I97 WeakPolarHBondContact O-CG1 3.35Å; R93-I97 PolarHBondContact O-N 3.09Å; Q94-I97 PolarHBondContact O-N 3.27Å; E95-I97 VanDerWaalsContact C-N 3.33Å; E95-I97 PolarHBondContact O-N 3.36Å; I97-I99 PolarHBondContact O-N 3.11Å; I97-V100 PolarHBondContact O-N 3.39Å; I97-L101 HydrophobicContact CG2-CD1 3.52Å; I97-L101 WeakPolarHBondContact O-CB 3.3Å; I97-L101 WeakPolarHBondContact O-CD1 3.46Å; I97-L101 PolarHBondContact O-N 2.92Å
98	K	49.9	Very low	51.8	Low	127 Å²	127	102.6 Å²	102.6	55%	0.552	50%	0.501	S	S	*	.	H	α-helix	trans	-59.2	-45.5	177.1	-172.9	-175.6	175.2	-167.8	0	111.6	Q94 E95 L101 E102	Q94-K98 WeakPolarHBondContact O-CB 3.45Å; Q94-K98 PolarHBondContact O-N 2.99Å; E95-K98 WeakPolarHBondContact O-CB 3.33Å; E95-K98 PolarHBondContact O-N 3.27Å; K98-L101 PolarHBondContact O-N 2.99Å; K98-E102 WeakPolarHBondContact CE-OE1 3.46Å; K98-E102 WeakPolarHBondContact O-CB 3.28Å; K98-E102 WeakPolarHBondContact O-CG 3.49Å; K98-E102 PolarHBondContact O-N 3.23Å
99	I	56.5	Low	52.1	Low	95 Å²	95	103.4 Å²	103.4	49%	0.487	50%	0.504	S	S	.	.	H	α-helix	trans	-62.5	-46.4	178.3	-65.3	164.1	0	0	0	111	E95 I97 L101 E102 D103	E95-I99 WeakPolarHBondContact O-CG1 3.48Å; E95-I99 PolarHBondContact O-N 3.37Å; I97-I99 PolarHBondContact O-N 3.11Å; I99-L101 VanDerWaalsContact C-N 3.32Å; I99-L101 PolarHBondContact O-N 3.48Å; I99-E102 PolarHBondContact O-N 3.33Å; I99-D103 PolarHBondContact O-N 3.39Å
100	V	50.6	Low	52.6	Low	86 Å²	86	106.3 Å²	106.3	52%	0.521	51%	0.511	S	S	.	.	H	α-helix	trans	-63.3	-38.5	178.5	172.7	0	0	0	0	111.7	G96 I97 I104	G96-V100 WeakPolarHBondContact O-CG2 3.4Å; G96-V100 PolarHBondContact O-N 2.92Å; G96-V100 VanDerWaalsContact O-N 3.17Å; I97-V100 PolarHBondContact O-N 3.39Å; V100-I104 HydrophobicContact CG1-CD1 3.86Å; V100-I104 WeakPolarHBondContact O-CB 3.24Å; V100-I104 WeakPolarHBondContact O-CD1 3.42Å; V100-I104 WeakPolarHBondContact O-CG1 3.47Å; V100-I104 PolarHBondContact O-N 2.89Å
101	L	50.1	Low	52.9	Low	70 Å²	70	103.6 Å²	103.6	37%	0.366	50%	0.498	S	S	.	.	H	α-helix	trans	-67.2	-40.6	174.9	-94.2	135.8	0	0	0	112.3	I97 K98 I99 I104 F105	I97-L101 HydrophobicContact CG2-CD1 3.52Å; I97-L101 WeakPolarHBondContact O-CB 3.3Å; I97-L101 WeakPolarHBondContact O-CD1 3.46Å; I97-L101 PolarHBondContact O-N 2.92Å; K98-L101 PolarHBondContact O-N 2.99Å; I99-L101 VanDerWaalsContact C-N 3.32Å; I99-L101 PolarHBondContact O-N 3.48Å; L101-I104 PolarHBondContact O-N 3.28Å; L101-F105 HydrophobicContact CD2-CE2 4.45Å; L101-F105 WeakPolarHBondContact O-CB 3.27Å; L101-F105 WeakPolarHBondContact O-CD2 3.39Å; L101-F105 PolarHBondContact O-N 2.88Å
102	E	58.8	Low	53.1	Low	100 Å²	100	103.4 Å²	103.4	47%	0.467	49%	0.491	S	S	.	.	H	α-helix	trans	-63.3	-42.7	176.1	-77.2	175.1	178.6	0	0	111.6	K98 I99 I104 F105 T106	K98-E102 WeakPolarHBondContact CE-OE1 3.46Å; K98-E102 WeakPolarHBondContact O-CB 3.28Å; K98-E102 WeakPolarHBondContact O-CG 3.49Å; K98-E102 PolarHBondContact O-N 3.23Å; I99-E102 PolarHBondContact O-N 3.33Å; E102-I104 PolarHBondContact O-N 2.95Å; E102-F105 PolarHBondContact O-N 3.39Å; E102-T106 VanDerWaalsContact O-CG2 3.28Å; E102-T106 WeakPolarHBondContact O-CG2 3.42Å; E102-T106 PolarHBondContact O-N 3.46Å; E102-T106 PolarHBondContact O-OG1 2.94Å; E102-T106 VanDerWaalsContact O-OG1 3.11Å
103	D	58.6	Low	53.8	Low	103 Å²	103	97.9 Å²	97.9	55%	0.551	48%	0.478	S	S	*	.	H	α-helix	trans	-64.2	-40.2	175.1	-79.3	-13	0	0	0	112.3	I99 T106 L107	I99-D103 PolarHBondContact O-N 3.39Å; D103-T106 WeakPolarHBondContact CA-OG1 3.47Å; D103-T106 PolarHBondContact O-OG1 3.47Å; D103-L107 VanDerWaalsContact O-CB 3.3Å; D103-L107 WeakPolarHBondContact O-CB 3.18Å; D103-L107 PolarHBondContact O-N 2.89Å
104	I	57.6	Low	54.8	Low	104 Å²	104	97.9 Å²	97.9	53%	0.533	48%	0.481	S	S	.	.	H	α-helix	trans	-64.8	-42.1	174.8	-69.7	165.6	0	0	0	110.6	V100 L101 E102 W108	V100-I104 HydrophobicContact CG1-CD1 3.86Å; V100-I104 WeakPolarHBondContact O-CB 3.24Å; V100-I104 WeakPolarHBondContact O-CD1 3.42Å; V100-I104 WeakPolarHBondContact O-CG1 3.47Å; V100-I104 PolarHBondContact O-N 2.89Å; L101-I104 PolarHBondContact O-N 3.28Å; E102-I104 PolarHBondContact O-N 2.95Å; I104-W108 VanDerWaalsContact O-CB 3.27Å; I104-W108 WeakPolarHBondContact O-CB 3.46Å; I104-W108 PolarHBondContact O-N 3.41Å
105	F	56.5	Low	55.4	Low	130 Å²	130	93.6 Å²	93.6	57%	0.57	47%	0.465	S	S	*	.	H	α-helix	trans	-67	-40.4	178.8	-102.7	-81.7	0	0	0	112.7	L101 E102 W108 R109	L101-F105 HydrophobicContact CD2-CE2 4.45Å; L101-F105 WeakPolarHBondContact O-CB 3.27Å; L101-F105 WeakPolarHBondContact O-CD2 3.39Å; L101-F105 PolarHBondContact O-N 2.88Å; E102-F105 PolarHBondContact O-N 3.39Å; F105-W108 PolarHBondContact O-N 3.28Å; F105-R109 WeakPolarHBondContact O-CB 3.27Å; F105-R109 PolarHBondContact O-N 3.28Å
106	T	66.4	Low	55.8	Low	79 Å²	79	93.3 Å²	93.3	49%	0.485	46%	0.459	S	S	.	.	H	α-helix	trans	-67.6	-43.7	178.2	54	0	0	0	0	111.2	E102 D103 W108 R109 Q110	E102-T106 VanDerWaalsContact O-CG2 3.28Å; E102-T106 WeakPolarHBondContact O-CG2 3.42Å; E102-T106 PolarHBondContact O-N 3.46Å; E102-T106 PolarHBondContact O-OG1 2.94Å; E102-T106 VanDerWaalsContact O-OG1 3.11Å; D103-T106 WeakPolarHBondContact CA-OG1 3.47Å; D103-T106 PolarHBondContact O-OG1 3.47Å; T106-W108 VanDerWaalsContact C-N 3.32Å; T106-W108 PolarHBondContact O-N 3.47Å; T106-R109 PolarHBondContact O-N 3.29Å; T106-Q110 PolarHBondContact O-N 2.74Å
107	L	53.4	Low	56.7	Low	94 Å²	94	93.9 Å²	93.9	49%	0.492	46%	0.46	S	S	.	.	H	α-helix	trans	-60.9	-43.1	174.3	-165.7	73.1	0	0	0	111	D103 R109 Q110 V111	D103-L107 VanDerWaalsContact O-CB 3.3Å; D103-L107 WeakPolarHBondContact O-CB 3.18Å; D103-L107 PolarHBondContact O-N 2.89Å; L107-R109 PolarHBondContact O-N 3.45Å; L107-Q110 PolarHBondContact O-N 2.82Å; L107-V111 WeakPolarHBondContact O-CG2 3.4Å; L107-V111 PolarHBondContact O-N 2.95Å; L107-V111 VanDerWaalsContact O-N 3.09Å
108	W	56.7	Low	57.5	Low	105 Å²	105	94.5 Å²	94.5	40%	0.398	46%	0.46	S	S	.	.	H	α-helix	trans	-60.2	-45.2	176.3	-174.8	74.3	0	0	0	112.3	F46 I104 F105 T106 Q110 V111 E112	F46-W108 AromaticContact CE1-NE1 3.81Å; F46-W108 AromaticContact CZ-NE1 3.88Å; I104-W108 VanDerWaalsContact O-CB 3.27Å; I104-W108 WeakPolarHBondContact O-CB 3.46Å; I104-W108 PolarHBondContact O-N 3.41Å; F105-W108 PolarHBondContact O-N 3.28Å; T106-W108 VanDerWaalsContact C-N 3.32Å; T106-W108 PolarHBondContact O-N 3.47Å; W108-Q110 VanDerWaalsContact C-N 3.29Å; W108-Q110 PolarHBondContact O-N 3.36Å; W108-V111 PolarHBondContact O-N 3.03Å; W108-E112 WeakPolarHBondContact CZ3-OE2 3.38Å; W108-E112 WeakPolarHBondContact O-CB 3.15Å; W108-E112 PolarHBondContact O-N 2.84Å
109	R	58	Low	58.2	Low	182 Å²	182	92.8 Å²	92.8	69%	0.687	46%	0.456	S	S	*	.	H	α-helix	trans	-64	-34.2	178.9	-154.7	173.8	-176.6	-169	0.3	112.1	F105 T106 L107 T113	F105-R109 WeakPolarHBondContact O-CB 3.27Å; F105-R109 PolarHBondContact O-N 3.28Å; T106-R109 PolarHBondContact O-N 3.29Å; L107-R109 PolarHBondContact O-N 3.45Å; R109-T113 WeakPolarHBondContact O-CB 3.35Å; R109-T113 VanDerWaalsContact O-CG2 3.25Å; R109-T113 WeakPolarHBondContact O-CG2 3.49Å; R109-T113 PolarHBondContact O-N 3.28Å; R109-T113 VanDerWaalsContact O-N 3.11Å; R109-T113 PolarHBondContact O-OG1 2.93Å
110	Q	56.1	Low	58.4	Low	117 Å²	117	96.9 Å²	96.9	55%	0.547	47%	0.465	S	S	.	.	H	α-helix	trans	-67.5	-43	173.6	-74.8	-168.6	-2	0	0	112.6	T106 L107 W108 T113 K114	T106-Q110 PolarHBondContact O-N 2.74Å; L107-Q110 PolarHBondContact O-N 2.82Å; W108-Q110 VanDerWaalsContact C-N 3.29Å; W108-Q110 PolarHBondContact O-N 3.36Å; Q110-T113 PolarHBondContact O-OG1 3.05Å; Q110-K114 WeakPolarHBondContact O-CG 3.37Å; Q110-K114 PolarHBondContact O-N 3.49Å
111	V	56	Low	59.1	Low	36 Å²	36	100.3 Å²	100.3	22%	0.218	47%	0.473	C	S	.	.	H	α-helix	trans	-66.7	-44.5	177.5	177.5	0	0	0	0	110.6	L107 W108 T113 K114 V115 Y179	L107-V111 WeakPolarHBondContact O-CG2 3.4Å; L107-V111 PolarHBondContact O-N 2.95Å; L107-V111 VanDerWaalsContact O-N 3.09Å; W108-V111 PolarHBondContact O-N 3.03Å; V111-T113 VanDerWaalsContact C-N 3.32Å; V111-T113 PolarHBondContact O-N 3.46Å; V111-K114 PolarHBondContact O-N 2.94Å; V111-V115 HydrophobicContact CG1-CG2 4.34Å; V111-V115 WeakPolarHBondContact O-CG2 3.47Å; V111-V115 PolarHBondContact O-N 3.47Å; V111-Y179 HydrophobicContact CG2-CE1 3.75Å
112	E	52.4	Low	59.4	Low	56 Å²	56	103.1 Å²	103.1	26%	0.262	49%	0.486	S	S	.	.	H	α-helix	trans	-62.9	-37.2	-178.7	-157.8	-166.2	170.3	0	0	112.3	W108 R116	W108-E112 WeakPolarHBondContact CZ3-OE2 3.38Å; W108-E112 WeakPolarHBondContact O-CB 3.15Å; W108-E112 PolarHBondContact O-N 2.84Å; E112-R116 WeakPolarHBondContact O-CB 3.44Å; E112-R116 WeakPolarHBondContact O-CG 3.18Å; E112-R116 PolarHBondContact O-N 2.93Å; E112-R116 IonicContact OE1-CZ 2.77Å; E112-R116 IonicContact OE1-NH1 2.78Å; E112-R116 PolarHBondContact OE1-NH1 3.11Å; E112-R116 IonicContact OE1-NH2 3.68Å; E112-R116 PolarHBondContact OE1-NH2 3.42Å; E112-R116 IonicContact OE2-CZ 3.58Å; E112-R116 IonicContact OE2-NH1 2.73Å; E112-R116 IonicContact OE2-NH2 3.74Å; E112-R116 PolarHBondContact OE2-NH2 2.87Å
113	T	62.9	Low	59.4	Low	75 Å²	75	106.1 Å²	106.1	46%	0.46	50%	0.497	S	S	.	.	H	α-helix	trans	-70.3	-42	176.2	48.9	0	0	0	0	112.2	R109 Q110 V111 R116 A117	R109-T113 WeakPolarHBondContact O-CB 3.35Å; R109-T113 VanDerWaalsContact O-CG2 3.25Å; R109-T113 WeakPolarHBondContact O-CG2 3.49Å; R109-T113 PolarHBondContact O-N 3.28Å; R109-T113 VanDerWaalsContact O-N 3.11Å; R109-T113 PolarHBondContact O-OG1 2.93Å; Q110-T113 PolarHBondContact O-OG1 3.05Å; V111-T113 VanDerWaalsContact C-N 3.32Å; V111-T113 PolarHBondContact O-N 3.46Å; T113-R116 PolarHBondContact O-N 2.9Å; T113-A117 WeakPolarHBondContact O-CB 3.36Å; T113-A117 PolarHBondContact O-N 2.79Å
114	K	67.2	Low	59.3	Low	121 Å²	121	105.8 Å²	105.8	53%	0.526	50%	0.498	S	S	.	.	H	α-helix	trans	-61	-44.9	174.3	-77.2	-179.7	177	-179.2	0	112.1	Q110 V111 A117 K118	Q110-K114 WeakPolarHBondContact O-CG 3.37Å; Q110-K114 PolarHBondContact O-N 3.49Å; V111-K114 PolarHBondContact O-N 2.94Å; K114-A117 PolarHBondContact O-N 2.95Å; K114-K118 PolarHBondContact O-N 2.95Å
115	V	56.4	Low	58.9	Low	51 Å²	51	105.1 Å²	105.1	31%	0.309	50%	0.499	S	S	.	.	H	α-helix	trans	-63.6	-46.5	177	168.7	0	0	0	0	111.1	W39 V111 A117 K118 I119	W39-V115 HydrophobicContact CH2-CG1 3.95Å; W39-V115 HydrophobicContact CZ3-CG1 4.25Å; V111-V115 HydrophobicContact CG1-CG2 4.34Å; V111-V115 WeakPolarHBondContact O-CG2 3.47Å; V111-V115 PolarHBondContact O-N 3.47Å; V115-A117 VanDerWaalsContact C-N 3.3Å; V115-A117 PolarHBondContact O-N 2.73Å; V115-K118 PolarHBondContact O-N 3.26Å; V115-I119 HydrophobicContact CG1-CD1 3.81Å; V115-I119 HydrophobicContact CG1-CG1 4.45Å; V115-I119 WeakPolarHBondContact O-CG1 3.17Å; V115-I119 PolarHBondContact O-N 2.97Å
116	R	52.9	Low	58.6	Low	109 Å²	109	103.6 Å²	103.6	41%	0.411	50%	0.501	S	S	.	.	H	α-helix	trans	-61.7	-36.9	176.5	-79.6	-169.7	-80.8	-132.6	-0.7	112.8	E112 T113 I119 R120	E112-R116 WeakPolarHBondContact O-CB 3.44Å; E112-R116 WeakPolarHBondContact O-CG 3.18Å; E112-R116 PolarHBondContact O-N 2.93Å; E112-R116 IonicContact OE1-CZ 2.77Å; E112-R116 IonicContact OE1-NH1 2.78Å; E112-R116 PolarHBondContact OE1-NH1 3.11Å; E112-R116 IonicContact OE1-NH2 3.68Å; E112-R116 PolarHBondContact OE1-NH2 3.42Å; E112-R116 IonicContact OE2-CZ 3.58Å; E112-R116 IonicContact OE2-NH1 2.73Å; E112-R116 IonicContact OE2-NH2 3.74Å; E112-R116 PolarHBondContact OE2-NH2 2.87Å; T113-R116 PolarHBondContact O-N 2.9Å; R116-I119 PolarHBondContact O-N 3.28Å; R116-R120 WeakPolarHBondContact O-CG 3.34Å; R116-R120 PolarHBondContact O-N 3.47Å
117	A	64.3	Low	57.8	Low	47 Å²	47	108.8 Å²	108.8	39%	0.388	52%	0.517	S	S	.	.	H	α-helix	trans	-66.1	-44.3	175	0	0	0	0	0	111.9	T113 K114 V115 R120 K121	T113-A117 WeakPolarHBondContact O-CB 3.36Å; T113-A117 PolarHBondContact O-N 2.79Å; K114-A117 PolarHBondContact O-N 2.95Å; V115-A117 VanDerWaalsContact C-N 3.3Å; V115-A117 PolarHBondContact O-N 2.73Å; A117-R120 PolarHBondContact O-N 3.19Å; A117-K121 WeakPolarHBondContact O-CG 3.42Å; A117-K121 PolarHBondContact O-N 2.73Å
118	K	66.3	Low	57.8	Low	98 Å²	98	110 Å²	110	43%	0.426	53%	0.528	S	S	.	.	H	α-helix	trans	-58.3	-46.4	173.4	-85.8	-176.2	171.8	-177.7	0	111	K114 V115 R120 K121 M122 D172 E175	K114-K118 PolarHBondContact O-N 2.95Å; V115-K118 PolarHBondContact O-N 3.26Å; K118-R120 PolarHBondContact O-N 2.97Å; K118-K121 PolarHBondContact O-N 2.94Å; K118-M122 PolarHBondContact O-N 3.27Å; K118-D172 IonicContact NZ-OD1 2.95Å; K118-D172 PolarHBondContact NZ-OD1 2.84Å; K118-E175 IonicContact NZ-OE2 3.98Å; K118-E175 PolarHBondContact NZ-OE2 3.36Å
119	I	63.8	Low	57.3	Low	90 Å²	90	111.4 Å²	111.4	46%	0.462	54%	0.543	S	S	.	.	H	α-helix	trans	-61.3	-44.6	177.8	-67.9	168	0	0	0	112	V115 R116 M122 K123	V115-I119 HydrophobicContact CG1-CD1 3.81Å; V115-I119 HydrophobicContact CG1-CG1 4.45Å; V115-I119 WeakPolarHBondContact O-CG1 3.17Å; V115-I119 PolarHBondContact O-N 2.97Å; R116-I119 PolarHBondContact O-N 3.28Å; I119-M122 PolarHBondContact O-N 3.44Å; I119-K123 WeakPolarHBondContact O-CB 3.41Å; I119-K123 PolarHBondContact O-N 3.38Å
120	R	61.8	Low	56.9	Low	182 Å²	182	113.9 Å²	113.9	69%	0.687	55%	0.553	S	S	*	*	H	α-helix	trans	-63	-43.1	178.5	-75.3	177.3	-177	-176.6	0.9	111.8	R116 A117 K118 K123 V124	R116-R120 WeakPolarHBondContact O-CG 3.34Å; R116-R120 PolarHBondContact O-N 3.47Å; A117-R120 PolarHBondContact O-N 3.19Å; K118-R120 PolarHBondContact O-N 2.97Å; R120-K123 PolarHBondContact O-N 2.98Å; R120-V124 WeakPolarHBondContact O-CG2 3.43Å; R120-V124 PolarHBondContact O-N 3.39Å; R120-V124 VanDerWaalsContact O-N 3.09Å
121	K	65.4	Low	57	Low	157 Å²	157	115 Å²	115	68%	0.683	56%	0.558	S	S	*	*	H	α-helix	trans	-60.2	-46.8	176	-73.4	-179.5	177.1	-173	0	111.5	A117 K118 K123 V124 T125	A117-K121 WeakPolarHBondContact O-CG 3.42Å; A117-K121 PolarHBondContact O-N 2.73Å; K118-K121 PolarHBondContact O-N 2.94Å; K121-K123 VanDerWaalsContact C-N 3.33Å; K121-K123 PolarHBondContact O-N 2.99Å; K121-V124 PolarHBondContact O-N 2.87Å; K121-T125 PolarHBondContact O-N 2.9Å; K121-T125 VanDerWaalsContact O-N 3.08Å; K121-T125 PolarHBondContact O-OG1 3.46Å
122	M	56.3	Low	56.8	Low	130 Å²	130	120.9 Å²	120.9	64%	0.64	59%	0.588	S	S	*	*	H	α-helix	trans	-63.5	-36.9	178.5	-165.2	125.3	96.9	0	0	112.7	K118 I119 T125 T126	K118-M122 PolarHBondContact O-N 3.27Å; I119-M122 PolarHBondContact O-N 3.44Å; M122-T125 WeakPolarHBondContact CA-OG1 3.35Å; M122-T125 PolarHBondContact O-OG1 3.38Å; M122-T126 WeakPolarHBondContact O-CB 3.49Å; M122-T126 PolarHBondContact O-N 3.04Å; M122-T126 VanDerWaalsContact O-N 3.09Å; M122-T126 PolarHBondContact O-OG1 3.25Å
123	K	58.4	Low	56.8	Low	163 Å²	163	126.7 Å²	126.7	71%	0.709	61%	0.612	S	S	*	*	H	α-helix	trans	-68	-35.3	176.7	-170.4	173.7	-178.6	176.7	0	112.5	I119 R120 K121 K127	I119-K123 WeakPolarHBondContact O-CB 3.41Å; I119-K123 PolarHBondContact O-N 3.38Å; R120-K123 PolarHBondContact O-N 2.98Å; K121-K123 VanDerWaalsContact C-N 3.33Å; K121-K123 PolarHBondContact O-N 2.99Å; K123-K127 PolarHBondContact O-N 3.1Å
124	V	55.8	Low	56.2	Low	95 Å²	95	131 Å²	131	58%	0.576	63%	0.631	S	S	*	*	H	α-helix	trans	-70.4	-46.2	177.8	170.7	0	0	0	0	110.8	R120 K121 T126 K127 V128	R120-V124 WeakPolarHBondContact O-CG2 3.43Å; R120-V124 PolarHBondContact O-N 3.39Å; R120-V124 VanDerWaalsContact O-N 3.09Å; K121-V124 PolarHBondContact O-N 2.87Å; V124-T126 VanDerWaalsContact C-N 3.34Å; V124-T126 PolarHBondContact O-N 2.85Å; V124-K127 PolarHBondContact O-N 3.43Å; V124-V128 WeakPolarHBondContact O-CG2 3.41Å; V124-V128 PolarHBondContact O-N 2.66Å
125	T	49.9	Very low	55.1	Low	90 Å²	90	132.9 Å²	132.9	55%	0.552	65%	0.646	S	S	*	*	H	α-helix	trans	-64.6	-38	178.9	53.4	0	0	0	0	112.3	K121 M122 K127 V128	K121-T125 PolarHBondContact O-N 2.9Å; K121-T125 VanDerWaalsContact O-N 3.08Å; K121-T125 PolarHBondContact O-OG1 3.46Å; M122-T125 WeakPolarHBondContact CA-OG1 3.35Å; M122-T125 PolarHBondContact O-OG1 3.38Å; T125-K127 VanDerWaalsContact C-N 3.27Å; T125-K127 PolarHBondContact O-N 3.36Å; T125-V128 PolarHBondContact O-N 2.84Å
126	T	49.5	Very low	55.2	Low	99 Å²	99	133.4 Å²	133.4	61%	0.607	66%	0.662	S	S	*	*	H	α-helix	trans	-64.2	-30.4	176	-55.1	0	0	0	0	112.8	M122 V124	M122-T126 WeakPolarHBondContact O-CB 3.49Å; M122-T126 PolarHBondContact O-N 3.04Å; M122-T126 VanDerWaalsContact O-N 3.09Å; M122-T126 PolarHBondContact O-OG1 3.25Å; V124-T126 VanDerWaalsContact C-N 3.34Å; V124-T126 PolarHBondContact O-N 2.85Å
127	K	50.7	Low	54.8	Low	187 Å²	187	137.8 Å²	137.8	81%	0.813	68%	0.684	S	S	*	*	H	α-helix	trans	-79.8	-25.4	-179.3	-160.3	179.7	-179.9	-173.3	0	113	K123 V124 T125 N129	K123-K127 PolarHBondContact O-N 3.1Å; V124-K127 PolarHBondContact O-N 3.43Å; T125-K127 VanDerWaalsContact C-N 3.27Å; T125-K127 PolarHBondContact O-N 3.36Å; K127-N129 VanDerWaalsContact C-N 3.3Å
128	V	52.2	Low	54.3	Low	120 Å²	120	147.4 Å²	147.4	73%	0.727	71%	0.711	S	S	*	*	H	α-helix	trans	-74.1	-20.8	179.7	172.7	0	0	0	0	112	V124 T125 R130	V124-V128 WeakPolarHBondContact O-CG2 3.41Å; V124-V128 PolarHBondContact O-N 2.66Å; T125-V128 PolarHBondContact O-N 2.84Å; V128-R130 PolarHBondContact O-N 2.9Å
129	N	47.8	Very low	53.5	Low	134 Å²	134	148 Å²	148	72%	0.717	71%	0.713	S	S	*	*	S	Bend	trans	-99.9	31.1	-166.7	-143	3.7	0	0	0	115.9	K127	K127-N129 VanDerWaalsContact C-N 3.3Å
130	R	49.8	Very low	53.3	Low	234 Å²	234	148.6 Å²	148.6	88%	0.883	72%	0.721	S	S	*	*			trans	-126	80.9	171.7	-85.9	-171.9	-179.5	171.9	0.8	110.6	V128	V128-R130 PolarHBondContact O-N 2.9Å
131	H	56.3	Low	53.1	Low	142 Å²	142	144 Å²	144	66%	0.657	72%	0.722	S	S	*	*			trans	-152.1	56.7	162.5	-146.6	-49.7	0	0	0	115.3	K133	H131-K133 PolarHBondContact O-N 2.84Å
132	D	51.8	Low	52.9	Low	158 Å²	158	143.9 Å²	143.9	85%	0.845	72%	0.721	S	S	*	*			trans	-92.8	96.6	168.2	-64.3	-25.8	0	0	0	110.7	I134	D132-I134 PolarHBondContact O-N 2.86Å
133	K	54.1	Low	53	Low	179 Å²	179	140.3 Å²	140.3	78%	0.778	70%	0.703	S	S	*	*			trans	-76.5	105	166	-97.7	176.9	176	174.3	0	108.5	H131 N135	H131-K133 PolarHBondContact O-N 2.84Å; K133-N135 PolarHBondContact O-N 2.68Å
134	I	48.8	Very low	53.1	Low	165 Å²	165	137.5 Å²	137.5	85%	0.846	69%	0.692	S	S	*	*			trans	-80.5	100.4	173.2	-61.1	169.2	0	0	0	108.2	D132	D132-I134 PolarHBondContact O-N 2.86Å
135	N	45.1	Very low	53.4	Low	160 Å²	160	139.3 Å²	139.3	86%	0.856	70%	0.698	S	S	*	*			trans	-96.1	124.3	172.7	-126	-3.2	0	0	0	109.7	K133	K133-N135 PolarHBondContact O-N 2.68Å
136	G	57.6	Low	54	Low	62 Å²	62	143.1 Å²	143.1	64%	0.639	70%	0.702	S	S	*	*			trans	-79.6	142.9	179	0	0	0	0	0	113
137	K	45.7	Very low	55	Low	202 Å²	202	142 Å²	142	88%	0.878	69%	0.689	S	S	*	*			trans	-172.9	154.3	146.6	-103.4	165	-173.5	-175	0	111.4
138	R	53.7	Low	55.7	Low	249 Å²	249	138.1 Å²	138.1	94%	0.94	68%	0.676	S	S	*	*			trans	-59.2	145.6	-170.5	-78.5	174.1	169.4	160.2	-4.1	114
139	K	49.2	Very low	56.1	Low	109 Å²	109	135.4 Å²	135.4	47%	0.474	66%	0.663	S	S	.	*			trans	-98.8	140.8	-171.1	-47.9	-173.6	-172.5	179.1	0	115.8	E143 K147	K139-E143 WeakPolarHBondContact CA-OE2 3.15Å; K139-E143 HydrophobicContact CB-CB 4.37Å; K139-E143 WeakPolarHBondContact CB-OE2 3.36Å; K139-K147 HydrophobicContact CD-CD 4.04Å; K139-K147 VanDerWaalsContact CD-CE 3.5Å
140	T	59.1	Low	57.2	Low	104 Å²	104	134.3 Å²	134.3	64%	0.638	66%	0.655	S	S	*	*			trans	-105.2	161.4	161.9	45.8	0	0	0	0	110.7	K142 E143	T140-K142 PolarHBondContact O-N 2.89Å; T140-K142 VanDerWaalsContact O-N 3.11Å; T140-E143 WeakPolarHBondContact O-CA 3.47Å; T140-E143 WeakPolarHBondContact O-CB 3.41Å; T140-E143 PolarHBondContact O-N 3.39Å
141	A	57.7	Low	58.2	Low	84 Å²	84	130.1 Å²	130.1	69%	0.694	64%	0.643	S	S	*	*	H	α-helix	trans	-55.7	-30.5	-173.6	0	0	0	0	0	115.1	E143 H144 L145	A141-E143 PolarHBondContact O-N 3.17Å; A141-H144 PolarHBondContact O-N 3.35Å; A141-L145 PolarHBondContact O-N 2.94Å
142	K	60.7	Low	58.6	Low	156 Å²	156	130 Å²	130	68%	0.678	64%	0.643	S	S	*	*	H	α-helix	trans	-67.3	-24.4	174.8	-161.2	171.9	-175	173.9	0	113	T140 R146	T140-K142 PolarHBondContact O-N 2.89Å; T140-K142 VanDerWaalsContact O-N 3.11Å; K142-R146 PolarHBondContact O-N 3.02Å
143	E	59.4	Low	59.1	Low	55 Å²	55	131.5 Å²	131.5	26%	0.257	64%	0.636	S	S	.	*	H	α-helix	trans	-79.2	-29.1	176.1	-159.2	-171.1	145.1	0	0	112.1	K139 T140 A141 R146 K147	K139-E143 WeakPolarHBondContact CA-OE2 3.15Å; K139-E143 HydrophobicContact CB-CB 4.37Å; K139-E143 WeakPolarHBondContact CB-OE2 3.36Å; T140-E143 WeakPolarHBondContact O-CA 3.47Å; T140-E143 WeakPolarHBondContact O-CB 3.41Å; T140-E143 PolarHBondContact O-N 3.39Å; A141-E143 PolarHBondContact O-N 3.17Å; E143-R146 PolarHBondContact O-N 3.21Å; E143-K147 WeakPolarHBondContact O-CB 3.06Å; E143-K147 VanDerWaalsContact O-CG 3.3Å; E143-K147 WeakPolarHBondContact O-CG 3.5Å; E143-K147 PolarHBondContact O-N 3.49Å; E143-K147 WeakPolarHBondContact OE1-CE 3.43Å; E143-K147 IonicContact OE1-NZ 2.73Å; E143-K147 PolarHBondContact OE1-NZ 3.48Å
144	H	60.9	Low	59.7	Low	104 Å²	104	127.3 Å²	127.3	48%	0.481	62%	0.62	S	S	.	*	H	α-helix	trans	-65.9	-42	173.7	-88.4	-95.9	0	0	0	111.7	A141 K147 L148	A141-H144 PolarHBondContact O-N 3.35Å; H144-K147 PolarHBondContact O-N 3.31Å; H144-L148 PolarHBondContact O-N 3.34Å
145	L	61.9	Low	60	Low	133 Å²	133	124.8 Å²	124.8	70%	0.696	60%	0.604	S	S	*	*	H	α-helix	trans	-62.8	-43.5	173.6	-106.3	129.3	0	0	0	112.4	A141 K147 L148 S149	A141-L145 PolarHBondContact O-N 2.94Å; L145-K147 VanDerWaalsContact C-N 3.33Å; L145-K147 PolarHBondContact O-N 3.22Å; L145-L148 PolarHBondContact O-N 3.26Å; L145-S149 PolarHBondContact O-N 2.93Å
146	R	62.9	Low	61.1	Low	169 Å²	169	118.5 Å²	118.5	64%	0.638	58%	0.577	S	S	*	*	H	α-helix	trans	-65.8	-32.5	174.8	-74.9	-176.5	174.4	-172.4	-2.6	113.2	K142 E143 S149 M150	K142-R146 PolarHBondContact O-N 3.02Å; E143-R146 PolarHBondContact O-N 3.21Å; R146-S149 PolarHBondContact O-OG 3.31Å; R146-M150 WeakPolarHBondContact O-CB 3.29Å; R146-M150 WeakPolarHBondContact O-CG 3.48Å; R146-M150 PolarHBondContact O-N 2.89Å
147	K	68.8	Low	61.4	Low	77 Å²	77	120.6 Å²	120.6	34%	0.335	57%	0.57	S	S	.	*	H	α-helix	trans	-72.2	-34.3	175	-76.9	176.7	-153.6	-108.7	0	112.5	K139 E143 H144 L145 K151	K139-K147 HydrophobicContact CD-CD 4.04Å; K139-K147 VanDerWaalsContact CD-CE 3.5Å; E143-K147 WeakPolarHBondContact O-CB 3.06Å; E143-K147 VanDerWaalsContact O-CG 3.3Å; E143-K147 WeakPolarHBondContact O-CG 3.5Å; E143-K147 PolarHBondContact O-N 3.49Å; E143-K147 WeakPolarHBondContact OE1-CE 3.43Å; E143-K147 IonicContact OE1-NZ 2.73Å; E143-K147 PolarHBondContact OE1-NZ 3.48Å; H144-K147 PolarHBondContact O-N 3.31Å; L145-K147 VanDerWaalsContact C-N 3.33Å; L145-K147 PolarHBondContact O-N 3.22Å; K147-K151 WeakPolarHBondContact O-CB 3.21Å; K147-K151 WeakPolarHBondContact O-CG 3.31Å; K147-K151 PolarHBondContact O-N 2.8Å
148	L	65.8	Low	62.3	Low	104 Å²	104	117.1 Å²	117.1	55%	0.545	56%	0.555	S	S	.	*	H	α-helix	trans	-63.5	-49.6	172.2	-86	155.6	0	0	0	110.5	H144 L145 M150 K151 E152	H144-L148 PolarHBondContact O-N 3.34Å; L145-L148 PolarHBondContact O-N 3.26Å; L148-M150 VanDerWaalsContact C-N 3.3Å; L148-M150 PolarHBondContact O-N 3.39Å; L148-K151 PolarHBondContact O-N 3.2Å; L148-K151 VanDerWaalsContact O-N 3.13Å; L148-E152 WeakPolarHBondContact O-CG 3.49Å; L148-E152 PolarHBondContact O-N 3.38Å
149	S	62.2	Low	62.5	Low	63 Å²	63	110.8 Å²	110.8	44%	0.441	54%	0.536	S	S	.	.	H	α-helix	trans	-64	-33.6	178.6	69.3	0	0	0	0	113.4	L145 R146 R153	L145-S149 PolarHBondContact O-N 2.93Å; R146-S149 PolarHBondContact O-OG 3.31Å; S149-R153 PolarHBondContact O-N 3.38Å; S149-R153 VanDerWaalsContact O-N 3.17Å
150	M	69.1	Low	63.2	Low	112 Å²	112	114.5 Å²	114.5	55%	0.552	55%	0.547	S	S	*	.	H	α-helix	trans	-69.2	-40.7	173.9	-74.5	-72.4	-66.9	0	0	111.8	R146 L148 R153 E154	R146-M150 WeakPolarHBondContact O-CB 3.29Å; R146-M150 WeakPolarHBondContact O-CG 3.48Å; R146-M150 PolarHBondContact O-N 2.89Å; L148-M150 VanDerWaalsContact C-N 3.3Å; L148-M150 PolarHBondContact O-N 3.39Å; M150-R153 WeakPolarHBondContact O-CB 3.25Å; M150-R153 PolarHBondContact O-N 3.26Å; M150-E154 WeakPolarHBondContact O-CG 3.38Å; M150-E154 PolarHBondContact O-N 2.97Å
151	K	71.1	Confident	63	Low	145 Å²	145	115.2 Å²	115.2	63%	0.63	54%	0.543	S	S	*	.	H	α-helix	trans	-66.1	-37.8	176.2	-82.7	-176.4	173.4	-169	0	112.7	K147 L148 R153 E154 H155	K147-K151 WeakPolarHBondContact O-CB 3.21Å; K147-K151 WeakPolarHBondContact O-CG 3.31Å; K147-K151 PolarHBondContact O-N 2.8Å; L148-K151 PolarHBondContact O-N 3.2Å; L148-K151 VanDerWaalsContact O-N 3.13Å; K151-R153 VanDerWaalsContact C-N 3.31Å; K151-E154 PolarHBondContact O-N 3.44Å; K151-H155 WeakPolarHBondContact O-CB 3.46Å; K151-H155 PolarHBondContact O-N 3.48Å
152	E	64.6	Low	62.5	Low	140 Å²	140	115.9 Å²	115.9	65%	0.654	54%	0.538	S	S	*	.	H	α-helix	trans	-64.7	-38.7	174	-73.1	177.8	159.2	0	0	111.2	L148 H155 G156	L148-E152 WeakPolarHBondContact O-CG 3.49Å; L148-E152 PolarHBondContact O-N 3.38Å; E152-H155 PolarHBondContact O-N 3.18Å; E152-G156 PolarHBondContact O-N 2.78Å
153	R	62.2	Low	62.4	Low	189 Å²	189	111.9 Å²	111.9	71%	0.713	53%	0.53	S	S	*	.	H	α-helix	trans	-65.7	-44.7	174.1	-123.8	-177.7	164.6	102.2	-1.2	112.6	S149 M150 K151 H155 G156 E157	S149-R153 PolarHBondContact O-N 3.38Å; S149-R153 VanDerWaalsContact O-N 3.17Å; M150-R153 WeakPolarHBondContact O-CB 3.25Å; M150-R153 PolarHBondContact O-N 3.26Å; K151-R153 VanDerWaalsContact C-N 3.31Å; R153-H155 VanDerWaalsContact C-N 3.33Å; R153-G156 PolarHBondContact O-N 3.04Å; R153-E157 PolarHBondContact O-N 3.43Å
154	E	68.3	Low	62.3	Low	91 Å²	91	115.4 Å²	115.4	43%	0.425	55%	0.546	S	S	.	.	H	α-helix	trans	-64.4	-36.7	175.5	-78.3	177.4	-172.1	0	0	112.3	M150 K151 E157 K158	M150-E154 WeakPolarHBondContact O-CG 3.38Å; M150-E154 PolarHBondContact O-N 2.97Å; K151-E154 PolarHBondContact O-N 3.44Å; E154-E157 PolarHBondContact O-N 3.34Å; E154-K158 WeakPolarHBondContact O-CB 3.43Å; E154-K158 VanDerWaalsContact O-CG 3.27Å; E154-K158 WeakPolarHBondContact O-CG 3.39Å; E154-K158 PolarHBondContact O-N 2.89Å
155	H	53.3	Low	61.7	Low	113 Å²	113	113.5 Å²	113.5	52%	0.523	55%	0.548	S	S	.	.	H	α-helix	trans	-64.7	-46	174.9	-170	-84.3	0	0	0	110.9	K151 E152 R153 E157 K158 E159	K151-H155 WeakPolarHBondContact O-CB 3.46Å; K151-H155 PolarHBondContact O-N 3.48Å; E152-H155 PolarHBondContact O-N 3.18Å; R153-H155 VanDerWaalsContact C-N 3.33Å; H155-E157 VanDerWaalsContact C-N 3.34Å; H155-E157 PolarHBondContact O-N 2.91Å; H155-K158 PolarHBondContact O-N 3.23Å; H155-E159 IonicContact CE1-OE1 2.79Å; H155-E159 PolarHBondContact CE1-OE1 3.24Å; H155-E159 PolarHBondContact O-N 3.17Å
156	G	68.5	Low	61.4	Low	27 Å²	27	112.4 Å²	112.4	28%	0.278	54%	0.54	S	S	.	.	H	α-helix	trans	-63.5	-35.4	176.1	0	0	0	0	0	113.8	E152 R153 R160	E152-G156 PolarHBondContact O-N 2.78Å; R153-G156 PolarHBondContact O-N 3.04Å; G156-R160 WeakPolarHBondContact O-CG 3.13Å; G156-R160 PolarHBondContact O-N 2.89Å; G156-R160 VanDerWaalsContact O-N 3.11Å
157	E	63.8	Low	60.9	Low	107 Å²	107	110.2 Å²	110.2	50%	0.5	54%	0.537	S	S	.	.	H	α-helix	trans	-70.3	-37	173.6	-83.2	178.6	172.8	0	0	112.8	R153 E154 H155 R160 Q161	R153-E157 PolarHBondContact O-N 3.43Å; E154-E157 PolarHBondContact O-N 3.34Å; H155-E157 VanDerWaalsContact C-N 3.34Å; H155-E157 PolarHBondContact O-N 2.91Å; E157-R160 PolarHBondContact O-N 3.48Å; E157-Q161 WeakPolarHBondContact O-CG 3.34Å; E157-Q161 PolarHBondContact O-N 3.5Å
158	K	64.5	Low	60	Low	128 Å²	128	110.7 Å²	110.7	56%	0.557	54%	0.543	S	S	*	.	H	α-helix	trans	-66	-42.2	174.6	-74.6	170.1	-173.8	169.7	0	111.7	E154 H155 R160 Q161 V162	E154-K158 WeakPolarHBondContact O-CB 3.43Å; E154-K158 VanDerWaalsContact O-CG 3.27Å; E154-K158 WeakPolarHBondContact O-CG 3.39Å; E154-K158 PolarHBondContact O-N 2.89Å; H155-K158 PolarHBondContact O-N 3.23Å; K158-R160 VanDerWaalsContact C-N 3.33Å; K158-R160 PolarHBondContact O-N 2.88Å; K158-Q161 PolarHBondContact O-N 3.49Å; K158-V162 VanDerWaalsContact O-CG2 3.28Å; K158-V162 WeakPolarHBondContact O-CG2 3.49Å; K158-V162 PolarHBondContact O-N 2.9Å
159	E	58.9	Low	59.1	Low	116 Å²	116	107.6 Å²	107.6	54%	0.542	54%	0.536	S	S	.	.	H	α-helix	trans	-64.4	-37.4	175.4	-74.7	-166.1	149.8	0	0	112.5	H155 V162 S163	H155-E159 IonicContact CE1-OE1 2.79Å; H155-E159 PolarHBondContact CE1-OE1 3.24Å; H155-E159 PolarHBondContact O-N 3.17Å; E159-V162 PolarHBondContact O-N 3.34Å; E159-S163 WeakPolarHBondContact O-CB 3.32Å; E159-S163 PolarHBondContact O-N 2.81Å; E159-S163 PolarHBondContact O-OG 3.05Å
160	R	64.5	Low	58.4	Low	188 Å²	188	110.4 Å²	110.4	71%	0.709	54%	0.541	S	S	*	.	H	α-helix	trans	-63.1	-44.4	172.3	-75.3	176.7	-172.8	173.5	2.1	112.1	G156 E157 K158 S163 E164	G156-R160 WeakPolarHBondContact O-CG 3.13Å; G156-R160 PolarHBondContact O-N 2.89Å; G156-R160 VanDerWaalsContact O-N 3.11Å; E157-R160 PolarHBondContact O-N 3.48Å; K158-R160 VanDerWaalsContact C-N 3.33Å; K158-R160 PolarHBondContact O-N 2.88Å; R160-S163 PolarHBondContact O-N 3.34Å; R160-E164 WeakPolarHBondContact O-CB 3.46Å; R160-E164 PolarHBondContact O-N 2.92Å
161	Q	53.6	Low	57.6	Low	119 Å²	119	109.6 Å²	109.6	56%	0.556	54%	0.538	S	S	*	.	H	α-helix	trans	-65.7	-37.5	177.2	-73.2	179.8	39.1	0	0	112.8	E157 K158 A165	E157-Q161 WeakPolarHBondContact O-CG 3.34Å; E157-Q161 PolarHBondContact O-N 3.5Å; K158-Q161 PolarHBondContact O-N 3.49Å; Q161-A165 WeakPolarHBondContact O-CB 3.38Å; Q161-A165 PolarHBondContact O-N 3.14Å
162	V	48.5	Very low	56.4	Low	97 Å²	97	105.8 Å²	105.8	59%	0.588	52%	0.524	S	S	*	.	H	α-helix	trans	-65.5	-41.9	174.3	170.9	0	0	0	0	110.7	K158 E159 A165 E166	K158-V162 VanDerWaalsContact O-CG2 3.28Å; K158-V162 WeakPolarHBondContact O-CG2 3.49Å; K158-V162 PolarHBondContact O-N 2.9Å; E159-V162 PolarHBondContact O-N 3.34Å; V162-A165 PolarHBondContact O-N 2.99Å; V162-E166 PolarHBondContact O-N 2.98Å
163	S	58.3	Low	55.4	Low	72 Å²	72	105.4 Å²	105.4	50%	0.503	52%	0.524	S	S	.	.	H	α-helix	trans	-63.9	-42.6	177.2	-57.2	0	0	0	0	111.9	E159 R160 A165 E166 E167	E159-S163 WeakPolarHBondContact O-CB 3.32Å; E159-S163 PolarHBondContact O-N 2.81Å; E159-S163 PolarHBondContact O-OG 3.05Å; R160-S163 PolarHBondContact O-N 3.34Å; S163-A165 VanDerWaalsContact C-N 3.35Å; S163-E166 PolarHBondContact O-N 3.28Å; S163-E167 PolarHBondContact O-N 3.48Å
164	E	56.6	Low	55.3	Low	130 Å²	130	103.9 Å²	103.9	61%	0.607	52%	0.523	S	S	*	.	H	α-helix	trans	-66.6	-37.1	177.1	-146.5	172.8	-161.3	0	0	111.3	R160 N168	R160-E164 WeakPolarHBondContact O-CB 3.46Å; R160-E164 PolarHBondContact O-N 2.92Å; E164-N168 VanDerWaalsContact O-CB 3.27Å; E164-N168 WeakPolarHBondContact O-CB 3.41Å; E164-N168 PolarHBondContact O-N 2.96Å; E164-N168 PolarHBondContact O-ND2 2.92Å
165	A	49.5	Very low	54.5	Low	63 Å²	63	102.4 Å²	102.4	52%	0.521	52%	0.516	S	S	.	.	H	α-helix	trans	-67.4	-35.6	173.8	0	0	0	0	0	112.8	Q161 V162 S163 G169	Q161-A165 WeakPolarHBondContact O-CB 3.38Å; Q161-A165 PolarHBondContact O-N 3.14Å; V162-A165 PolarHBondContact O-N 2.99Å; S163-A165 VanDerWaalsContact C-N 3.35Å; A165-G169 PolarHBondContact O-N 3.18Å
166	E	54.9	Low	54.4	Low	111 Å²	111	101.5 Å²	101.5	52%	0.519	51%	0.514	S	S	.	.	H	α-helix	trans	-68.2	-42.8	175.6	-163.7	-163.1	138	0	0	111.9	V162 S163 G169 K170	V162-E166 PolarHBondContact O-N 2.98Å; S163-E166 PolarHBondContact O-N 3.28Å; E166-G169 PolarHBondContact O-N 3.39Å; E166-K170 PolarHBondContact O-N 3.04Å; E166-K170 IonicContact OE1-NZ 3.39Å; E166-K170 PolarHBondContact OE1-NZ 3.36Å
167	E	53	Low	53.5	Low	122 Å²	122	105.1 Å²	105.1	57%	0.57	52%	0.523	S	S	*	.	H	α-helix	trans	-64.5	-44.8	176.2	-129.9	-90.6	141.8	0	0	110.8	S163 G169 K170 L171	S163-E167 PolarHBondContact O-N 3.48Å; E167-G169 VanDerWaalsContact C-N 3.33Å; E167-G169 PolarHBondContact O-N 3.48Å; E167-K170 WeakPolarHBondContact O-CB 3.26Å; E167-K170 PolarHBondContact O-N 3.42Å; E167-L171 PolarHBondContact O-N 3.2Å
168	N	48.9	Very low	53.6	Low	88 Å²	88	103.6 Å²	103.6	47%	0.471	52%	0.522	S	S	.	.	H	α-helix	trans	-62.2	-38.3	173.5	-74.9	-45.8	0	0	0	112.4	E164 L171 D172	E164-N168 VanDerWaalsContact O-CB 3.27Å; E164-N168 WeakPolarHBondContact O-CB 3.41Å; E164-N168 PolarHBondContact O-N 2.96Å; E164-N168 PolarHBondContact O-ND2 2.92Å; N168-L171 PolarHBondContact O-N 2.89Å; N168-D172 PolarHBondContact O-N 3.14Å
169	G	47	Very low	52.9	Low	39 Å²	39	101.5 Å²	101.5	40%	0.402	51%	0.511	S	S	.	.	H	α-helix	trans	-64.1	-40.4	174.1	0	0	0	0	0	112.9	A165 E166 E167 L171 M173	A165-G169 PolarHBondContact O-N 3.18Å; E166-G169 PolarHBondContact O-N 3.39Å; E167-G169 VanDerWaalsContact C-N 3.33Å; E167-G169 PolarHBondContact O-N 3.48Å; G169-L171 VanDerWaalsContact C-N 3.33Å; G169-M173 WeakPolarHBondContact O-CB 3.19Å; G169-M173 PolarHBondContact O-N 3.36Å
170	K	47.3	Very low	52.7	Low	122 Å²	122	100 Å²	100	53%	0.53	50%	0.504	S	S	.	.	H	α-helix	trans	-63.5	-38.2	172.5	-84.3	168.7	174.4	150	0	112.1	E166 E167 M173 K174	E166-K170 PolarHBondContact O-N 3.04Å; E166-K170 IonicContact OE1-NZ 3.39Å; E166-K170 PolarHBondContact OE1-NZ 3.36Å; E167-K170 WeakPolarHBondContact O-CB 3.26Å; E167-K170 PolarHBondContact O-N 3.42Å; K170-M173 PolarHBondContact O-N 3.32Å; K170-K174 PolarHBondContact O-N 2.87Å; K170-K174 VanDerWaalsContact O-N 3.11Å
171	L	51.6	Low	52.5	Low	95 Å²	95	94.5 Å²	94.5	50%	0.497	49%	0.487	S	S	.	.	H	α-helix	trans	-71.6	-43	-179.6	-145.2	148	0	0	0	111.6	E167 N168 G169 M173 K174 E175	E167-L171 PolarHBondContact O-N 3.2Å; N168-L171 PolarHBondContact O-N 2.89Å; G169-L171 VanDerWaalsContact C-N 3.33Å; L171-M173 VanDerWaalsContact C-N 3.31Å; L171-M173 PolarHBondContact O-N 3.32Å; L171-K174 PolarHBondContact O-N 3.12Å; L171-E175 PolarHBondContact O-N 3.37Å
172	D	46.4	Very low	52.7	Low	64 Å²	64	93 Å²	93	34%	0.342	48%	0.481	S	S	.	.	H	α-helix	trans	-63.7	-35.3	172.2	-88.7	-3.9	0	0	0	111.5	K118 N168 E175 I176	K118-D172 IonicContact NZ-OD1 2.95Å; K118-D172 PolarHBondContact NZ-OD1 2.84Å; N168-D172 PolarHBondContact O-N 3.14Å; D172-E175 PolarHBondContact O-N 2.88Å; D172-I176 WeakPolarHBondContact O-CB 3.37Å; D172-I176 VanDerWaalsContact O-CG1 3.25Å; D172-I176 WeakPolarHBondContact O-CG1 3.32Å; D172-I176 PolarHBondContact O-N 2.95Å
173	M	44.2	Very low	53.2	Low	133 Å²	133	94.7 Å²	94.7	66%	0.655	48%	0.481	S	S	*	.	H	α-helix	trans	-66.1	-39.7	175.8	-159.2	70	166.3	0	0	112.5	G169 K170 L171 I176 H177	G169-M173 WeakPolarHBondContact O-CB 3.19Å; G169-M173 PolarHBondContact O-N 3.36Å; K170-M173 PolarHBondContact O-N 3.32Å; L171-M173 VanDerWaalsContact C-N 3.31Å; L171-M173 PolarHBondContact O-N 3.32Å; M173-I176 PolarHBondContact O-N 2.94Å; M173-H177 WeakPolarHBondContact O-CB 3.2Å; M173-H177 PolarHBondContact O-N 3.01Å
174	K	59	Low	53.2	Low	157 Å²	157	96.1 Å²	96.1	68%	0.683	48%	0.48	S	S	*	.	H	α-helix	trans	-65.5	-39	172.6	-75.6	178.2	179.2	176.2	0	111.8	K170 L171 H177 T178	K170-K174 PolarHBondContact O-N 2.87Å; K170-K174 VanDerWaalsContact O-N 3.11Å; L171-K174 PolarHBondContact O-N 3.12Å; K174-H177 PolarHBondContact O-N 3.04Å; K174-T178 PolarHBondContact O-N 2.93Å; K174-T178 PolarHBondContact O-OG1 3.43Å
175	E	51.7	Low	53.1	Low	60 Å²	60	97.4 Å²	97.4	28%	0.28	48%	0.479	S	S	.	.	H	α-helix	trans	-64.8	-45.6	176.9	-160.7	177.8	-179.4	0	0	110.5	K118 L171 D172 H177 T178 Y179	K118-E175 IonicContact NZ-OE2 3.98Å; K118-E175 PolarHBondContact NZ-OE2 3.36Å; L171-E175 PolarHBondContact O-N 3.37Å; D172-E175 PolarHBondContact O-N 2.88Å; E175-H177 PolarHBondContact O-N 3.49Å; E175-T178 WeakPolarHBondContact O-CB 3.36Å; E175-T178 PolarHBondContact O-N 3.47Å; E175-Y179 HydrophobicContact CG-CD2 4.19Å; E175-Y179 HydrophobicContact CG-CE2 3.79Å; E175-Y179 WeakPolarHBondContact O-CD2 3.17Å; E175-Y179 PolarHBondContact O-N 2.98Å
176	I	50.8	Low	53.6	Low	94 Å²	94	97.1 Å²	97.1	48%	0.482	48%	0.477	S	S	.	.	H	α-helix	trans	-60.7	-44.4	174.4	-69.7	165.5	0	0	0	111.5	D172 M173 T178 Y179 M180	D172-I176 WeakPolarHBondContact O-CB 3.37Å; D172-I176 VanDerWaalsContact O-CG1 3.25Å; D172-I176 WeakPolarHBondContact O-CG1 3.32Å; D172-I176 PolarHBondContact O-N 2.95Å; M173-I176 PolarHBondContact O-N 2.94Å; I176-T178 VanDerWaalsContact C-N 3.28Å; I176-T178 PolarHBondContact O-N 3.43Å; I176-Y179 PolarHBondContact O-N 3.04Å; I176-M180 VanDerWaalsContact O-CB 3.3Å; I176-M180 WeakPolarHBondContact O-CB 3.36Å; I176-M180 PolarHBondContact O-N 3.42Å
177	H	51.4	Low	53.5	Low	102 Å²	102	95.8 Å²	95.8	47%	0.472	47%	0.47	S	S	.	.	H	α-helix	trans	-58.4	-42.8	176.4	-176.9	-84.2	0	0	0	111.6	M173 K174 E175 M180 E181	M173-H177 WeakPolarHBondContact O-CB 3.2Å; M173-H177 PolarHBondContact O-N 3.01Å; K174-H177 PolarHBondContact O-N 3.04Å; E175-H177 PolarHBondContact O-N 3.49Å; H177-M180 PolarHBondContact O-N 2.98Å; H177-E181 IonicContact CE1-OE1 2.79Å; H177-E181 PolarHBondContact O-N 3.23Å
178	T	63.9	Low	54	Low	76 Å²	76	92.2 Å²	92.2	47%	0.466	46%	0.461	S	S	.	.	H	α-helix	trans	-63.9	-42.4	177.9	-52.7	0	0	0	0	111.6	K174 E175 I176 M180 E181 M182	K174-T178 PolarHBondContact O-N 2.93Å; K174-T178 PolarHBondContact O-OG1 3.43Å; E175-T178 WeakPolarHBondContact O-CB 3.36Å; E175-T178 PolarHBondContact O-N 3.47Å; I176-T178 VanDerWaalsContact C-N 3.28Å; I176-T178 PolarHBondContact O-N 3.43Å; T178-M180 VanDerWaalsContact C-N 3.34Å; T178-E181 PolarHBondContact O-N 3.38Å; T178-M182 HydrophobicContact CG2-CE 4.42Å; T178-M182 WeakPolarHBondContact O-CG 3.31Å; T178-M182 PolarHBondContact O-N 2.87Å
179	Y	50.1	Low	54.6	Low	83 Å²	83	93.4 Å²	93.4	33%	0.325	47%	0.467	S	S	.	.	H	α-helix	trans	-64.5	-38.3	173.8	-80.7	-67.8	0	0	0	112.7	V111 E175 I176 M182 F183	V111-Y179 HydrophobicContact CG2-CE1 3.75Å; E175-Y179 HydrophobicContact CG-CD2 4.19Å; E175-Y179 HydrophobicContact CG-CE2 3.79Å; E175-Y179 WeakPolarHBondContact O-CD2 3.17Å; E175-Y179 PolarHBondContact O-N 2.98Å; I176-Y179 PolarHBondContact O-N 3.04Å; Y179-M182 HydrophobicContact CD1-CE 4.2Å; Y179-M182 HydrophobicContact CE1-CE 4.32Å; Y179-M182 PolarHBondContact O-N 3.43Å; Y179-F183 WeakPolarHBondContact O-CB 3.42Å; Y179-F183 PolarHBondContact O-N 3Å
180	M	55.8	Low	55.3	Low	84 Å²	84	98 Å²	98	41%	0.414	47%	0.472	S	S	.	.	H	α-helix	trans	-67.6	-39.2	179.9	-155.7	-93.9	-48.8	0	0	110.9	I176 H177 T178 F183 Q184	I176-M180 VanDerWaalsContact O-CB 3.3Å; I176-M180 WeakPolarHBondContact O-CB 3.36Å; I176-M180 PolarHBondContact O-N 3.42Å; H177-M180 PolarHBondContact O-N 2.98Å; T178-M180 VanDerWaalsContact C-N 3.34Å; M180-F183 PolarHBondContact O-N 2.78Å; M180-Q184 WeakPolarHBondContact O-CG 3.37Å; M180-Q184 PolarHBondContact O-N 3.42Å; M180-Q184 HydrophobicContact SD-CG 4.41Å; M180-Q184 PolarHBondContact SD-NE2 3.46Å
181	E	60.3	Low	55.9	Low	73 Å²	73	99.7 Å²	99.7	34%	0.341	48%	0.475	S	S	.	.	H	α-helix	trans	-62.2	-45	168.7	-83.5	-144.2	178.7	0	0	112.9	H177 T178 F183 Q184 R185	H177-E181 IonicContact CE1-OE1 2.79Å; H177-E181 PolarHBondContact O-N 3.23Å; T178-E181 PolarHBondContact O-N 3.38Å; E181-F183 VanDerWaalsContact C-N 3.29Å; E181-F183 PolarHBondContact O-N 2.91Å; E181-Q184 PolarHBondContact O-N 3.48Å; E181-R185 WeakPolarHBondContact O-CB 3.4Å; E181-R185 VanDerWaalsContact O-CG 3.29Å; E181-R185 WeakPolarHBondContact O-CG 3.29Å; E181-R185 PolarHBondContact O-N 3.49Å; E181-R185 IonicContact OE2-CZ 2.87Å; E181-R185 IonicContact OE2-NE 3.73Å; E181-R185 IonicContact OE2-NH2 2.9Å; E181-R185 PolarHBondContact OE2-NH2 2.8Å
182	M	58.5	Low	56.5	Low	88 Å²	88	103.9 Å²	103.9	43%	0.433	49%	0.485	S	S	.	.	H	α-helix	trans	-62.4	-38.6	177.7	-74.1	-155.2	-88.7	0	0	111.8	T178 Y179 R185 A186	T178-M182 HydrophobicContact CG2-CE 4.42Å; T178-M182 WeakPolarHBondContact O-CG 3.31Å; T178-M182 PolarHBondContact O-N 2.87Å; Y179-M182 HydrophobicContact CD1-CE 4.2Å; Y179-M182 HydrophobicContact CE1-CE 4.32Å; Y179-M182 PolarHBondContact O-N 3.43Å; M182-R185 PolarHBondContact O-N 3.41Å; M182-A186 WeakPolarHBondContact O-CB 3.2Å; M182-A186 PolarHBondContact O-N 2.86Å
183	F	57.9	Low	57	Low	132 Å²	132	103 Å²	103	58%	0.579	49%	0.486	S	S	*	.	H	α-helix	trans	-64.7	-44.8	175	-176	-100.9	0	0	0	112	Y179 M180 E181 R185 A186 Q187	Y179-F183 WeakPolarHBondContact O-CB 3.42Å; Y179-F183 PolarHBondContact O-N 3Å; M180-F183 PolarHBondContact O-N 2.78Å; E181-F183 VanDerWaalsContact C-N 3.29Å; E181-F183 PolarHBondContact O-N 2.91Å; F183-R185 VanDerWaalsContact C-N 3.33Å; F183-R185 PolarHBondContact O-N 2.88Å; F183-A186 PolarHBondContact O-N 2.92Å; F183-Q187 WeakPolarHBondContact O-CB 3.32Å; F183-Q187 PolarHBondContact O-N 3.45Å
184	Q	57.7	Low	57.8	Low	103 Å²	103	100.8 Å²	100.8	48%	0.481	47%	0.474	S	S	.	.	H	α-helix	trans	-61.5	-41.1	175.1	-74.5	179.4	-2.4	0	0	111.9	M180 E181 Q187 A188	M180-Q184 WeakPolarHBondContact O-CG 3.37Å; M180-Q184 PolarHBondContact O-N 3.42Å; M180-Q184 HydrophobicContact SD-CG 4.41Å; M180-Q184 PolarHBondContact SD-NE2 3.46Å; E181-Q184 PolarHBondContact O-N 3.48Å; Q184-Q187 PolarHBondContact O-N 3.25Å; Q184-A188 WeakPolarHBondContact O-CB 3.46Å; Q184-A188 PolarHBondContact O-N 3.47Å
185	R	55.7	Low	57.9	Low	157 Å²	157	97.8 Å²	97.8	59%	0.592	47%	0.466	S	S	*	.	H	α-helix	trans	-63.4	-42.8	175.4	-71.8	175.6	-167	-168.2	6	111.9	E181 M182 F183 Q187 A188 L189	E181-R185 WeakPolarHBondContact O-CB 3.4Å; E181-R185 VanDerWaalsContact O-CG 3.29Å; E181-R185 WeakPolarHBondContact O-CG 3.29Å; E181-R185 PolarHBondContact O-N 3.49Å; E181-R185 IonicContact OE2-CZ 2.87Å; E181-R185 IonicContact OE2-NE 3.73Å; E181-R185 IonicContact OE2-NH2 2.9Å; E181-R185 PolarHBondContact OE2-NH2 2.8Å; M182-R185 PolarHBondContact O-N 3.41Å; F183-R185 VanDerWaalsContact C-N 3.33Å; F183-R185 PolarHBondContact O-N 2.88Å; R185-Q187 VanDerWaalsContact C-N 3.32Å; R185-Q187 PolarHBondContact O-N 3.34Å; R185-A188 PolarHBondContact O-N 3.26Å; R185-L189 WeakPolarHBondContact O-CG 3.38Å; R185-L189 PolarHBondContact O-N 3.41Å
186	A	58.6	Low	58.2	Low	57 Å²	57	101.6 Å²	101.6	47%	0.471	48%	0.478	S	S	.	.	H	α-helix	trans	-62.5	-40	174.4	0	0	0	0	0	111.8	M182 F183 L189 R190	M182-A186 WeakPolarHBondContact O-CB 3.2Å; M182-A186 PolarHBondContact O-N 2.86Å; F183-A186 PolarHBondContact O-N 2.92Å; A186-L189 PolarHBondContact O-N 3.46Å; A186-R190 PolarHBondContact O-N 3.11Å
187	Q	54.8	Low	58.3	Low	83 Å²	83	101.9 Å²	101.9	39%	0.388	47%	0.474	S	S	.	.	H	α-helix	trans	-67.3	-35.7	176.5	-154.2	175.9	31.7	0	0	112.2	F183 Q184 R185 R190 R191	F183-Q187 WeakPolarHBondContact O-CB 3.32Å; F183-Q187 PolarHBondContact O-N 3.45Å; Q184-Q187 PolarHBondContact O-N 3.25Å; R185-Q187 VanDerWaalsContact C-N 3.32Å; R185-Q187 PolarHBondContact O-N 3.34Å; Q187-R190 WeakPolarHBondContact O-CB 3.34Å; Q187-R190 PolarHBondContact O-N 3.47Å; Q187-R191 PolarHBondContact O-N 2.74Å
188	A	63.2	Low	58.4	Low	46 Å²	46	105.7 Å²	105.7	38%	0.38	48%	0.484	S	S	.	.	H	α-helix	trans	-68.4	-41.2	174	0	0	0	0	0	112.3	Q184 R185 R190 R191 R192	Q184-A188 WeakPolarHBondContact O-CB 3.46Å; Q184-A188 PolarHBondContact O-N 3.47Å; R185-A188 PolarHBondContact O-N 3.26Å; A188-R190 VanDerWaalsContact C-N 3.31Å; A188-R190 PolarHBondContact O-N 2.97Å; A188-R191 PolarHBondContact O-N 2.81Å; A188-R192 WeakPolarHBondContact O-CG 3.14Å; A188-R192 PolarHBondContact O-N 2.83Å
189	L	61.7	Low	58	Low	113 Å²	113	107.5 Å²	107.5	59%	0.592	50%	0.499	S	S	*	.	H	α-helix	trans	-60.8	-41.6	173.1	-76.1	168.6	0	0	0	111.5	R185 A186 R192 A193	R185-L189 WeakPolarHBondContact O-CG 3.38Å; R185-L189 PolarHBondContact O-N 3.41Å; A186-L189 PolarHBondContact O-N 3.46Å; L189-R192 PolarHBondContact O-N 2.95Å; L189-A193 PolarHBondContact O-N 3.29Å
190	R	60.1	Low	58.2	Low	136 Å²	136	110.5 Å²	110.5	51%	0.513	51%	0.514	S	S	.	.	H	α-helix	trans	-59.1	-48.5	173.5	-179.4	-177.3	167.1	-162.9	-6.2	112	A186 Q187 A188 R192 A193 E194	A186-R190 PolarHBondContact O-N 3.11Å; Q187-R190 WeakPolarHBondContact O-CB 3.34Å; Q187-R190 PolarHBondContact O-N 3.47Å; A188-R190 VanDerWaalsContact C-N 3.31Å; A188-R190 PolarHBondContact O-N 2.97Å; R190-R192 PolarHBondContact O-N 2.9Å; R190-A193 WeakPolarHBondContact O-CB 3.34Å; R190-A193 PolarHBondContact O-N 3.47Å; R190-E194 IonicContact CZ-OE1 3.28Å; R190-E194 VanDerWaalsContact CZ-OE1 3.28Å; R190-E194 IonicContact NE-OE1 3.03Å; R190-E194 PolarHBondContact NE-OE1 2.8Å; R190-E194 IonicContact NH2-OE1 2.94Å; R190-E194 PolarHBondContact NH2-OE1 2.99Å; R190-E194 WeakPolarHBondContact O-CG 3.33Å; R190-E194 PolarHBondContact O-N 3.08Å
191	R	61.2	Low	57.8	Low	157 Å²	157	111.7 Å²	111.7	59%	0.592	52%	0.521	S	S	*	.	H	α-helix	trans	-61.1	-43.3	177.9	-73.9	-175.4	-176.2	173.1	3	112	Q187 A188 A193 E194 D195	Q187-R191 PolarHBondContact O-N 2.74Å; A188-R191 PolarHBondContact O-N 2.81Å; R191-A193 VanDerWaalsContact C-N 3.31Å; R191-A193 PolarHBondContact O-N 3.37Å; R191-E194 PolarHBondContact O-N 3.13Å; R191-D195 WeakPolarHBondContact O-CB 3.31Å; R191-D195 VanDerWaalsContact O-CG 3.28Å; R191-D195 PolarHBondContact O-N 3.49Å
192	R	62.9	Low	56.9	Low	184 Å²	184	113 Å²	113	69%	0.694	53%	0.534	S	S	*	.	H	α-helix	trans	-60.7	-39.6	175.4	-73.8	-178.9	-175.3	173.7	1.9	112.6	A188 L189 R190 Y196	A188-R192 WeakPolarHBondContact O-CG 3.14Å; A188-R192 PolarHBondContact O-N 2.83Å; L189-R192 PolarHBondContact O-N 2.95Å; R190-R192 PolarHBondContact O-N 2.9Å; R192-Y196 VanDerWaalsContact O-CB 3.29Å; R192-Y196 WeakPolarHBondContact O-CB 3.31Å; R192-Y196 PolarHBondContact O-N 2.81Å
193	A	58.2	Low	56.4	Low	46 Å²	46	114.3 Å²	114.3	38%	0.38	55%	0.549	S	S	.	.	H	α-helix	trans	-64.8	-47.5	174.4	0	0	0	0	0	111	L189 R190 R191 D195 Y196 Y197	L189-A193 PolarHBondContact O-N 3.29Å; R190-A193 WeakPolarHBondContact O-CB 3.34Å; R190-A193 PolarHBondContact O-N 3.47Å; R191-A193 VanDerWaalsContact C-N 3.31Å; R191-A193 PolarHBondContact O-N 3.37Å; A193-D195 VanDerWaalsContact C-N 3.34Å; A193-D195 PolarHBondContact O-N 3.12Å; A193-Y196 WeakPolarHBondContact O-CB 3.49Å; A193-Y196 PolarHBondContact O-N 3.28Å; A193-Y197 WeakPolarHBondContact O-CD2 3.31Å; A193-Y197 PolarHBondContact O-N 3.06Å
194	E	59.6	Low	55.8	Low	86 Å²	86	112.9 Å²	112.9	40%	0.402	56%	0.555	S	S	.	*	H	α-helix	trans	-59.8	-41.1	176.8	-72.8	175.5	-176.3	0	0	112.4	R190 R191 Y197 R198	R190-E194 IonicContact CZ-OE1 3.28Å; R190-E194 VanDerWaalsContact CZ-OE1 3.28Å; R190-E194 IonicContact NE-OE1 3.03Å; R190-E194 PolarHBondContact NE-OE1 2.8Å; R190-E194 IonicContact NH2-OE1 2.94Å; R190-E194 PolarHBondContact NH2-OE1 2.99Å; R190-E194 WeakPolarHBondContact O-CG 3.33Å; R190-E194 PolarHBondContact O-N 3.08Å; R191-E194 PolarHBondContact O-N 3.13Å; E194-Y197 PolarHBondContact O-N 3.09Å; E194-R198 PolarHBondContact O-N 3.49Å
195	D	62.9	Low	55.3	Low	93 Å²	93	111.6 Å²	111.6	50%	0.497	56%	0.562	S	S	.	*	H	α-helix	trans	-67.7	-42.9	176.7	-71.5	-25.6	0	0	0	111.7	R191 A193 Y197 R198 C199	R191-D195 WeakPolarHBondContact O-CB 3.31Å; R191-D195 VanDerWaalsContact O-CG 3.28Å; R191-D195 PolarHBondContact O-N 3.49Å; A193-D195 VanDerWaalsContact C-N 3.34Å; A193-D195 PolarHBondContact O-N 3.12Å; D195-Y197 VanDerWaalsContact C-N 3.27Å; D195-Y197 PolarHBondContact O-N 3.41Å; D195-R198 PolarHBondContact O-N 3.27Å; D195-R198 VanDerWaalsContact O-N 3.14Å; D195-C199 PolarHBondContact O-N 2.68Å; D195-C199 PolarHBondContact O-SG 3.06Å; D195-C199 VanDerWaalsContact O-SG 3.36Å
196	Y	56.8	Low	55	Low	140 Å²	140	114 Å²	114	55%	0.549	57%	0.571	S	S	.	*	H	α-helix	trans	-57.3	-42.2	172.5	178.2	-97.9	0	0	0	111.7	R192 A193 K200	R192-Y196 VanDerWaalsContact O-CB 3.29Å; R192-Y196 WeakPolarHBondContact O-CB 3.31Å; R192-Y196 PolarHBondContact O-N 2.81Å; A193-Y196 WeakPolarHBondContact O-CB 3.49Å; A193-Y196 PolarHBondContact O-N 3.28Å; Y196-K200 HydrophobicContact CE1-CG 4.34Å; Y196-K200 HydrophobicContact CE2-CG 4.48Å; Y196-K200 WeakPolarHBondContact O-CB 3.29Å; Y196-K200 VanDerWaalsContact O-CG 3.32Å; Y196-K200 WeakPolarHBondContact O-CG 3.05Å; Y196-K200 PolarHBondContact O-N 2.96Å
197	Y	52.5	Low	54.1	Low	101 Å²	101	119.9 Å²	119.9	40%	0.396	59%	0.586	S	S	.	*	H	α-helix	trans	-68.2	-39.9	174.5	-80.5	-69.6	0	0	0	112.6	A193 E194 D195 K200 I201	A193-Y197 WeakPolarHBondContact O-CD2 3.31Å; A193-Y197 PolarHBondContact O-N 3.06Å; E194-Y197 PolarHBondContact O-N 3.09Å; D195-Y197 VanDerWaalsContact C-N 3.27Å; D195-Y197 PolarHBondContact O-N 3.41Å; Y197-K200 PolarHBondContact O-N 3.35Å; Y197-I201 WeakPolarHBondContact O-CG1 3.31Å; Y197-I201 PolarHBondContact O-N 2.88Å
198	R	54.3	Low	53.4	Low	181 Å²	181	121 Å²	121	68%	0.683	60%	0.601	S	S	*	*	H	α-helix	trans	-63	-40.5	175.7	-84.1	-161.5	179.5	-153.2	3.4	112.6	E194 D195 K200 I201	E194-R198 PolarHBondContact O-N 3.49Å; D195-R198 PolarHBondContact O-N 3.27Å; D195-R198 VanDerWaalsContact O-N 3.14Å; R198-K200 VanDerWaalsContact C-N 3.32Å; R198-I201 PolarHBondContact O-N 3Å
199	C	55.1	Low	52.5	Low	115 Å²	115	127.5 Å²	127.5	78%	0.777	63%	0.628	S	S	*	*	H	α-helix	trans	-72.8	-23.8	178.7	-67.5	0	0	0	0	113.2	D195	D195-C199 PolarHBondContact O-N 2.68Å; D195-C199 PolarHBondContact O-SG 3.06Å; D195-C199 VanDerWaalsContact O-SG 3.36Å
200	K	53.5	Low	51.4	Low	145 Å²	145	127.1 Å²	127.1	63%	0.63	63%	0.634	S	S	*	*	H	α-helix	trans	-87.2	-9.6	176.5	-73.9	-76.8	-175.2	-179.3	0	113.9	Y196 Y197 R198 T202	Y196-K200 HydrophobicContact CE1-CG 4.34Å; Y196-K200 HydrophobicContact CE2-CG 4.48Å; Y196-K200 WeakPolarHBondContact O-CB 3.29Å; Y196-K200 VanDerWaalsContact O-CG 3.32Å; Y196-K200 WeakPolarHBondContact O-CG 3.05Å; Y196-K200 PolarHBondContact O-N 2.96Å; Y197-K200 PolarHBondContact O-N 3.35Å; R198-K200 VanDerWaalsContact C-N 3.32Å; K200-T202 PolarHBondContact O-N 2.87Å
201	I	47.5	Very low	50.1	Low	110 Å²	110	128.2 Å²	128.2	56%	0.564	65%	0.65	S	S	*	*	S	Bend	trans	-83.4	110.7	169.4	-64	166.9	0	0	0	107.8	Y197 R198 A205	Y197-I201 WeakPolarHBondContact O-CG1 3.31Å; Y197-I201 PolarHBondContact O-N 2.88Å; R198-I201 PolarHBondContact O-N 3Å; I201-A205 HydrophobicContact CG2-CB 4.36Å
202	T	43.2	Very low	49.1	Very low	100 Å²	100	131.9 Å²	131.9	61%	0.613	66%	0.664	S	S	*	*			trans	-54.2	134.5	176.6	34.1	0	0	0	0	111.8	K200 S204 A205	K200-T202 PolarHBondContact O-N 2.87Å; T202-S204 PolarHBondContact O-N 3.05Å; T202-A205 PolarHBondContact O-N 2.95Å; T202-A205 VanDerWaalsContact O-N 3.09Å
203	P	46.2	Very low	47.5	Very low	115 Å²	115	128.2 Å²	128.2	75%	0.747	67%	0.665	S	S	*	*	G	3₁₀ helix	trans	-52.9	-26.9	178.4	-26.8	33.4	0	0	0	114.2	A205 R206	P203-A205 PolarHBondContact O-N 3.01Å; P203-A205 VanDerWaalsContact O-N 3.08Å; P203-R206 PolarHBondContact O-N 3.4Å
204	S	46.3	Very low	46.8	Very low	103 Å²	103	131.6 Å²	131.6	72%	0.72	68%	0.681	S	S	*	*	G	3₁₀ helix	trans	-60.9	-14.6	178.3	-173.7	0	0	0	0	115.1	T202 R206	T202-S204 PolarHBondContact O-N 3.05Å; S204-R206 VanDerWaalsContact C-N 3.34Å
205	A	47.6	Very low	45.5	Very low	75 Å²	75	137.1 Å²	137.1	62%	0.62	70%	0.699	S	S	*	*	G	3₁₀ helix	trans	-85.5	-5.2	175.9	0	0	0	0	0	113.4	I201 T202 P203 K207	I201-A205 HydrophobicContact CG2-CB 4.36Å; T202-A205 PolarHBondContact O-N 2.95Å; T202-A205 VanDerWaalsContact O-N 3.09Å; P203-A205 PolarHBondContact O-N 3.01Å; P203-A205 VanDerWaalsContact O-N 3.08Å; A205-K207 PolarHBondContact O-N 3.43Å
206	R	48.3	Very low	44.1	Very low	207 Å²	207	139.2 Å²	139.2	78%	0.781	71%	0.711	S	S	*	*			trans	-90.3	75.3	169.4	-69.1	-176.7	-174.8	164.4	3.8	109.5	P203 S204	P203-R206 PolarHBondContact O-N 3.4Å; S204-R206 VanDerWaalsContact C-N 3.34Å
207	K	40.7	Very low	43.1	Very low	182 Å²	182	140.4 Å²	140.4	79%	0.791	73%	0.726	S	S	*	*			trans	-83.4	132.6	162	-80.1	-171.5	178	-177.6	0	109.3	A205	A205-K207 PolarHBondContact O-N 3.43Å
208	P	40.2	Very low	42.3	Very low	107 Å²	107	142 Å²	142	70%	0.695	75%	0.746	S	S	*	*			trans	-69.7	141.2	174.4	30.1	-31.4	0	0	0	109	C210	P208-C210 PolarHBondContact O-N 2.79Å
209	L	43.5	Very low	41.4	Very low	182 Å²	182	140.3 Å²	140.3	95%	0.953	75%	0.749	S	S	*	*	S	Bend	trans	-67.7	64.3	171.4	-76.8	159.4	0	0	0	110.6
210	C	39.4	Very low	40.4	Very low	105 Å²	105	141 Å²	141	71%	0.709	75%	0.752	S	S	*	*			trans	-150.5	95	172.1	-74.9	0	0	0	0	109.5	P208	P208-C210 PolarHBondContact O-N 2.79Å
211	N	32.2	Very low	39.8	Very low	158 Å²	158	137.7 Å²	137.7	85%	0.845	76%	0.759	S	S	*	*				-170.3	126	107.5	-120.2	-7	0	0	0	111.9	C213	N211-C213 PolarHBondContact O-N 3.44Å
212	R	41.1	Very low	39.2	Very low	235 Å²	235	137.1 Å²	137.1	89%	0.887	77%	0.766	S	S	*	*			trans	-61.8	112	162.9	173.5	-176.8	-174.7	-175	1.2	108.8
213	C	29.4	Very low	39.1	Very low	107 Å²	107	141.1 Å²	141.1	72%	0.723	78%	0.777	S	S	*	*			trans	-146	105.1	159.1	-82.6	0	0	0	0	110	N211	N211-C213 PolarHBondContact O-N 3.44Å
214	T	42.6	Very low	38.8	Very low	116 Å²	116	145 Å²	145	71%	0.712	78%	0.782	S	S	*	*			trans	-51	130.2	161.8	40.7	0	0	0	0	112.7
215	Y	31.2	Very low	38.3	Very low	202 Å²	202	147.6 Å²	147.6	79%	0.792	78%	0.78	S	S	*	*			trans	-153.9	106.8	143.7	-75.7	-65.7	0	0	0	111.7
216	N	33.8	Very low	37.6	Very low	138 Å²	138	152.4 Å²	152.4	74%	0.738	78%	0.784	S	S	*	*			trans	57.5	112.9	136.9	-56	-23.6	0	0	0	121.7
217	L	36.6	Very low	37	Very low	164 Å²	164	151.7 Å²	151.7	86%	0.859	78%	0.782	S	S	*	*			trans	-53.5	128.1	153.1	-105.1	82.2	0	0	0	110.3
218	V	35.3	Very low	36.9	Very low	135 Å²	135	148.9 Å²	148.9	82%	0.818	79%	0.786	S	S	*	*			trans	-126.5	114.1	155.8	178.9	0	0	0	0	107.3
219	L	35	Very low	36.8	Very low	145 Å²	145	152.9 Å²	152.9	76%	0.759	80%	0.795	S	S	*	*			trans	-68.6	146.8	174.4	-81.5	154.8	0	0	0	110.8	G221	L219-G221 PolarHBondContact O-N 3.41Å
220	P	34.8	Very low	36.6	Very low	129 Å²	129	152.4 Å²	152.4	84%	0.838	82%	0.817	S	S	*	*	S	Bend	trans	-82.8	113.4	-175.7	32.7	-29.7	0	0	0	110
221	G	41.8	Very low	36.5	Very low	76 Å²	76	154.8 Å²	154.8	78%	0.784	82%	0.822	S	S	*	*			trans	154.5	65.1	176.4	0	0	0	0	0	113.8	L219	L219-G221 PolarHBondContact O-N 3.41Å
222	S	33.3	Very low	36.7	Very low	99 Å²	99	154.6 Å²	154.6	69%	0.692	82%	0.821	S	S	*	*			trans	-157.1	117.3	153.4	43.5	0	0	0	0	109.1
223	E	43	Very low	36.5	Very low	183 Å²	183	150.1 Å²	150.1	86%	0.855	82%	0.818	S	S	*	*			trans	-53.3	135.8	167.7	-69.1	-178	137.6	0	0	109.9
224	K	38.3	Very low	36.9	Very low	196 Å²	196	152.6 Å²	152.6	85%	0.852	82%	0.823	S	S	*	*			trans	-127.4	109	162.5	-69.4	-170.3	179.6	-177.7	0	108.8
225	K	36.7	Very low	36.5	Very low	158 Å²	158	154.9 Å²	154.9	69%	0.687	83%	0.83	S	S	*	*			trans	-85.8	148.6	164.8	-68.6	-176.4	173.5	176.5	0	110.3
226	Y	33.4	Very low	36.9	Very low	176 Å²	176	151.8 Å²	151.8	69%	0.69	83%	0.833	S	S	*	*			trans	73	147.9	164.4	-50.8	-80.5	0	0	0	118.4
227	Y	33.9	Very low	37.1	Very low	192 Å²	192	152.8 Å²	152.8	75%	0.753	84%	0.839	S	S	*	*			cis	-143.6	151.9	7.9	-90.5	-77.5	0	0	0	110.2
228	S	39.5	Very low	37.1	Very low	124 Å²	124	151.9 Å²	151.9	87%	0.867	84%	0.838	S	S	*	*			trans	-83.2	128.4	163.3	-60.7	0	0	0	0	109.8
229	H	38.7	Very low	37.3	Very low	191 Å²	191	153.3 Å²	153.3	88%	0.884	84%	0.84	S	S	*	*			trans	-92.9	121.4	167.3	-93	-85.1	0	0	0	109.8
230	A	39	Very low	37.5	Very low	171 Å²	171	154.1 Å²	154.1	100%	1.413	85%	0.847	S	S	*	*			trans	-123	0	145.7	0	0	0	0	0	106.5

Retrieved 230 of 230 residues in 202.7 ms (Link to these results)

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