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Nuclear transcription factor Y subunit beta

Component of the sequence-specific heterotrimeric transcription factor (NF-Y) which specifically recognizes a 5'-CCAAT-3' box motif found in the promoters of its target genes. NF-Y can function as both an activator and a repressor, depending on its interacting cofactors.

AlphaFold DB , UniProt , Accession P25208, Species HUMAN (Homo sapiens, Human), Gene NFYB, Length 207 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	51.3	Low	56.1	Low	255 Å²	255	140.2 Å²	140.2	100%	1.256	83%	0.83	S	S	*	*				0	111.1	0	-77.5	173.2	176.6	0	0	106.5
2	T	49.5	Very low	55.6	Low	123 Å²	123	137.3 Å²	137.3	76%	0.755	83%	0.834	S	S	*	*			trans	-94.7	152.1	-175.9	35.7	0	0	0	0	110.7
3	M	55.1	Low	55.2	Low	163 Å²	163	133.4 Å²	133.4	80%	0.803	82%	0.816	S	S	*	*			trans	71	138.5	143.6	-77.4	174	-171.6	0	0	115.8
4	D	53.7	Low	54.9	Low	148 Å²	148	136.9 Å²	136.9	79%	0.791	82%	0.819	S	S	*	*			cis	-157.7	167.6	23.6	-76.5	-55.3	0	0	0	110.5
5	G	65	Low	54.2	Low	77 Å²	77	139.2 Å²	139.2	79%	0.794	82%	0.824	S	S	*	*			trans	-167.7	101.6	166.7	0	0	0	0	0	111.3
6	D	63	Low	53.5	Low	161 Å²	161	135.1 Å²	135.1	86%	0.861	82%	0.82	S	S	*	*			trans	-60.1	154.1	-162.1	-72.8	-51.3	0	0	0	118.7
7	S	51	Low	53.4	Low	118 Å²	118	136.1 Å²	136.1	83%	0.825	82%	0.817	S	S	*	*			trans	-92.7	139.7	159	-58.9	0	0	0	0	110.1
8	S	64.4	Low	53	Low	112 Å²	112	134.5 Å²	134.5	78%	0.783	81%	0.814	S	S	*	*			trans	-158	123.4	153.8	-170.4	0	0	0	0	111
9	T	52.2	Low	52.6	Low	134 Å²	134	131.5 Å²	131.5	82%	0.822	81%	0.805	S	S	*	*			trans	-104.9	136.9	168	131.3	0	0	0	0	106.1
10	T	62.4	Low	52.1	Low	129 Å²	129	133.2 Å²	133.2	79%	0.791	81%	0.809	S	S	*	*			trans	-124.7	121	171.7	-53.4	0	0	0	0	108.9
11	D	49.2	Very low	52	Low	122 Å²	122	135.8 Å²	135.8	65%	0.652	81%	0.805	S	S	*	*			trans	-58.1	140.6	175.4	173.6	43.2	0	0	0	112.9	S13	D11-S13 PolarHBondContact OD1-N 2.86Å; D11-S13 PolarHBondContact OD1-OG 3.1Å; D11-S13 PolarHBondContact OD2-OG 2.65Å
12	A	50.6	Low	52.1	Low	106 Å²	106	131.6 Å²	131.6	88%	0.876	79%	0.786	S	S	*	*			trans	-113	57.8	177.4	0	0	0	0	0	109.8
13	S	50.7	Low	51.9	Low	86 Å²	86	129 Å²	129	60%	0.601	78%	0.784	S	S	*	*			trans	-117	58.6	170.5	74.1	0	0	0	0	110.8	D11	D11-S13 PolarHBondContact OD1-N 2.86Å; D11-S13 PolarHBondContact OD1-OG 3.1Å; D11-S13 PolarHBondContact OD2-OG 2.65Å
14	Q	49.8	Very low	51.2	Low	182 Å²	182	125 Å²	125	85%	0.85	78%	0.784	S	S	*	*			trans	-157	63.8	177.8	-150.1	177.3	83.6	0	0	113.9
15	L	45.7	Very low	51.2	Low	172 Å²	172	123.7 Å²	123.7	90%	0.901	79%	0.787	S	S	*	*			trans	-138.5	79.9	159.6	-73.3	177.6	0	0	0	109.9
16	G	41.8	Very low	50.3	Low	73 Å²	73	127.2 Å²	127.2	75%	0.753	78%	0.782	S	S	*	*			trans	-111.6	104.9	160.8	0	0	0	0	0	109
17	I	51.6	Low	49.7	Very low	152 Å²	152	130.4 Å²	130.4	78%	0.779	78%	0.784	S	S	*	*			trans	-175	138.5	164.5	42.7	167.4	0	0	0	105.4
18	S	46.4	Very low	49.6	Very low	108 Å²	108	128.9 Å²	128.9	76%	0.755	77%	0.77	S	S	*	*			cis	-172.8	173.6	-4.4	-71.2	0	0	0	0	105.4
19	A	45.5	Very low	49.1	Very low	78 Å²	78	131.6 Å²	131.6	65%	0.645	77%	0.774	S	S	*	*			trans	101.6	78.6	149	0	0	0	0	0	118.4	Y21	A19-Y21 HydrophobicContact CB-CD2 3.76Å; A19-Y21 HydrophobicContact CB-CE2 3.64Å
20	D	42.3	Very low	49	Very low	164 Å²	164	133.3 Å²	133.3	88%	0.877	77%	0.772	S	S	*	*			trans	-60.8	122.9	146.8	-66.6	-57.5	0	0	0	111
21	Y	50.2	Low	48.1	Very low	188 Å²	188	132.8 Å²	132.8	74%	0.737	77%	0.771	S	S	*	*			trans	-150.2	117.8	165.5	-75.1	-84	0	0	0	111.8	A19	A19-Y21 HydrophobicContact CB-CD2 3.76Å; A19-Y21 HydrophobicContact CB-CE2 3.64Å
22	I	53.7	Low	48	Very low	168 Å²	168	135 Å²	135	86%	0.862	78%	0.777	S	S	*	*			trans	68.1	128.7	136.2	-60.3	162.2	0	0	0	116.4
23	G	45.8	Very low	47.7	Very low	69 Å²	69	135.4 Å²	135.4	71%	0.711	76%	0.764	S	S	*	*			cis	179.8	142.4	8.6	0	0	0	0	0	106
24	G	40.8	Very low	47.6	Very low	78 Å²	78	137.9 Å²	137.9	80%	0.804	77%	0.771	S	S	*	*				82.6	81.3	89.4	0	0	0	0	0	113.8
25	S	52.2	Low	47.9	Very low	121 Å²	121	136.1 Å²	136.1	85%	0.846	77%	0.773	S	S	*	*			trans	-161.4	124.9	144.1	-87.9	0	0	0	0	111.2
26	H	46	Very low	48.1	Very low	150 Å²	150	136.5 Å²	136.5	69%	0.694	77%	0.77	S	S	*	*			trans	-107.7	128.7	-169.7	158.6	-71.7	0	0	0	108.5	V28	H26-V28 WeakPolarHBondContact CE1-CG2 3.49Å; H26-V28 WeakPolarHBondContact NE2-CG2 3.32Å
27	Y	52	Low	48.5	Very low	229 Å²	229	140 Å²	140	90%	0.898	77%	0.772	S	S	*	*			trans	-126.6	117.4	158.9	-72.7	-77.9	0	0	0	108.9
28	V	47.5	Very low	48.6	Very low	86 Å²	86	137.2 Å²	137.2	52%	0.521	77%	0.765	S	S	.	*			trans	-95.7	129.4	172.2	160.3	0	0	0	0	107.9	H26 Q30	H26-V28 WeakPolarHBondContact CE1-CG2 3.49Å; H26-V28 WeakPolarHBondContact NE2-CG2 3.32Å; V28-Q30 HydrophobicContact CG1-CG 4.49Å
29	I	55.3	Low	49	Very low	169 Å²	169	140.7 Å²	140.7	87%	0.867	77%	0.772	S	S	*	*			trans	-124.2	119.7	159.4	-62.6	-68.1	0	0	0	106.7
30	Q	48.5	Very low	49.1	Very low	169 Å²	169	144.7 Å²	144.7	79%	0.79	78%	0.783	S	S	*	*			trans	-77.2	164.8	-177.3	-104.6	169.1	-45.3	0	0	112.9	V28	V28-Q30 HydrophobicContact CG1-CG 4.49Å
31	P	43.8	Very low	49.4	Very low	118 Å²	118	143.7 Å²	143.7	77%	0.766	78%	0.777	S	S	*	*			trans	-97.1	165	-150.6	38.9	-36.4	0	0	0	114.3
32	H	47.1	Very low	49.3	Very low	168 Å²	168	142.9 Å²	142.9	78%	0.778	78%	0.78	S	S	*	*			trans	-146.2	123.5	167.9	-160.1	-68.2	0	0	0	112.1
33	D	46	Very low	49.1	Very low	115 Å²	115	142.4 Å²	142.4	62%	0.615	77%	0.774	S	S	*	*			trans	32.4	120.3	159.7	-65.2	-10.7	0	0	0	123.8
34	D	48.6	Very low	49.2	Very low	139 Å²	139	145.5 Å²	145.5	74%	0.743	77%	0.774	S	S	*	*				48.3	103.3	119.9	-55	-24.9	0	0	0	119.7
35	T	55.5	Low	49.3	Very low	144 Å²	144	149 Å²	149	88%	0.883	78%	0.78	S	S	*	*				-157.3	116.6	126.7	-52.2	0	0	0	0	108.7
36	E	48.7	Very low	48.5	Very low	181 Å²	181	150.5 Å²	150.5	85%	0.846	78%	0.778	S	S	*	*			trans	-75.4	127.1	168.9	-54.5	-162.2	156.9	0	0	109.5
37	D	52.1	Low	48.1	Very low	147 Å²	147	147 Å²	147	79%	0.786	78%	0.783	S	S	*	*			trans	-168.4	111.2	138.9	-104.8	-39.1	0	0	0	111.6
38	S	52.5	Low	47.7	Very low	93 Å²	93	141.1 Å²	141.1	65%	0.65	78%	0.775	S	S	*	*				58.5	125.4	122.8	-65	0	0	0	0	121.1
39	M	55.6	Low	47.8	Very low	180 Å²	180	147 Å²	147	89%	0.887	79%	0.794	S	S	*	*			trans	105.9	91.1	148.3	-64.2	165.6	-176.3	0	0	117.3
40	N	48.2	Very low	47.7	Very low	163 Å²	163	145.4 Å²	145.4	87%	0.872	78%	0.783	S	S	*	*			trans	-13.7	122.7	130.4	-77.6	-28.4	0	0	0	113.5
41	D	47.7	Very low	47.6	Very low	143 Å²	143	142.8 Å²	142.8	77%	0.765	78%	0.783	S	S	*	*				-150	139.7	124.3	-160.7	22.3	0	0	0	110.3
42	H	47.1	Very low	48.3	Very low	171 Å²	171	143 Å²	143	79%	0.792	77%	0.772	S	S	*	*			trans	-134.3	73.5	-160.4	-168.1	-48.8	0	0	0	106.6
43	E	50	Low	49.3	Very low	158 Å²	158	143.5 Å²	143.5	74%	0.738	77%	0.767	S	S	*	*			trans	-135.3	103.9	175.6	-69.4	-158.4	157.3	0	0	112.5
44	D	48.3	Very low	50.3	Low	134 Å²	134	145 Å²	145	72%	0.717	77%	0.77	S	S	*	*			trans	60.3	73.4	133.6	-57.7	-26.2	0	0	0	119.4	N46	D44-N46 PolarHBondContact O-N 3.01Å; D44-N46 VanDerWaalsContact O-N 3.09Å
45	T	42.2	Very low	51.5	Low	151 Å²	151	146 Å²	146	93%	0.926	77%	0.771	S	S	*	*	S	Bend	trans	-74.2	62.4	144.3	-52.1	0	0	0	0	110.1
46	N	37.1	Very low	52.6	Low	152 Å²	152	144.5 Å²	144.5	81%	0.813	76%	0.757	S	S	*	*			trans	-175.3	128.4	168.1	-144.1	8.2	0	0	0	110.8	D44	D44-N46 PolarHBondContact O-N 3.01Å; D44-N46 VanDerWaalsContact O-N 3.09Å
47	G	37	Very low	54.6	Low	77 Å²	77	140.5 Å²	140.5	79%	0.794	74%	0.741	S	S	*	*			trans	139.7	-0.8	150.6	0	0	0	0	0	121.7
48	S	44.2	Very low	56.7	Low	105 Å²	105	137 Å²	137	73%	0.734	72%	0.717	S	S	*	*			trans	-140	54	175.1	61.4	0	0	0	0	114	E50	S48-E50 PolarHBondContact O-N 2.74Å
49	K	48.4	Very low	58.6	Low	210 Å²	210	136 Å²	136	91%	0.913	70%	0.704	S	S	*	*			trans	-66.3	88.1	136.8	-83.1	-174.7	177.9	179	0	104.5	S51	K49-S51 PolarHBondContact O-N 3.23Å
50	E	52.9	Low	60.5	Low	136 Å²	136	131.1 Å²	131.1	64%	0.636	69%	0.686	S	S	*	*			trans	-41.1	118	167.3	-83.5	-179.9	148.2	0	0	105.9	S48 F52	S48-E50 PolarHBondContact O-N 2.74Å; E50-F52 HydrophobicContact CB-CD2 4.42Å; E50-F52 HydrophobicContact CB-CE2 4.16Å; E50-F52 HydrophobicContact CB-CZ 4.38Å; E50-F52 WeakPolarHBondContact O-CD2 3.4Å; E50-F52 PolarHBondContact O-N 3.38Å
51	S	46.2	Very low	62.8	Low	114 Å²	114	126.7 Å²	126.7	80%	0.797	66%	0.661	S	S	*	*			trans	-65.2	74.6	168.7	175.3	0	0	0	0	105.8	K49 R53	K49-S51 PolarHBondContact O-N 3.23Å; S51-R53 PolarHBondContact O-N 3.4Å
52	F	60.1	Low	65.2	Low	121 Å²	121	122.8 Å²	122.8	53%	0.531	65%	0.649	S	S	.	*			trans	-46	119.5	156.2	-68.3	-72.5	0	0	0	103.6	E50 E54 I57	E50-F52 HydrophobicContact CB-CD2 4.42Å; E50-F52 HydrophobicContact CB-CE2 4.16Å; E50-F52 HydrophobicContact CB-CZ 4.38Å; E50-F52 WeakPolarHBondContact O-CD2 3.4Å; E50-F52 PolarHBondContact O-N 3.38Å; F52-E54 PolarHBondContact O-N 3.47Å; F52-E54 VanDerWaalsContact O-N 3.13Å; F52-I57 HydrophobicContact CB-CD1 3.96Å; F52-I57 HydrophobicContact CB-CG1 3.96Å
53	R	66.8	Low	67.5	Low	179 Å²	179	118.2 Å²	118.2	68%	0.675	63%	0.631	S	S	*	*			trans	-55.5	131.6	170.8	-66.1	178.1	173	173.5	-0.7	103.5	S51 Q55 D56	S51-R53 PolarHBondContact O-N 3.4Å; R53-Q55 CarbonylContact O-C 3.55Å; R53-Q55 PolarHBondContact O-N 3.35Å; R53-D56 PolarHBondContact N-OD2 3.08Å; R53-D56 WeakPolarHBondContact O-CB 3.45Å; R53-D56 PolarHBondContact O-N 2.93Å
54	E	67.3	Low	69.8	Low	146 Å²	146	111.2 Å²	111.2	68%	0.682	60%	0.599	S	S	*	*	H	α-helix	trans	-49.8	-29.4	-177.3	-67.9	169.9	166	0	0	111.3	F52 D56 I57 Y58	F52-E54 PolarHBondContact O-N 3.47Å; F52-E54 VanDerWaalsContact O-N 3.13Å; E54-D56 VanDerWaalsContact C-N 3.35Å; E54-D56 PolarHBondContact O-N 2.88Å; E54-I57 PolarHBondContact O-N 3.48Å; E54-Y58 HydrophobicContact CB-CE2 4.32Å; E54-Y58 WeakPolarHBondContact O-CD2 3.3Å
55	Q	72.8	Confident	72.1	Confident	160 Å²	160	105.8 Å²	105.8	75%	0.748	57%	0.572	S	S	*	*	H	α-helix	trans	-58.9	-32.1	171.9	-64.3	-178	-1.4	0	0	115.6	R53 I57 Y58	R53-Q55 CarbonylContact O-C 3.55Å; R53-Q55 PolarHBondContact O-N 3.35Å; Q55-I57 VanDerWaalsContact C-N 3.28Å; Q55-I57 PolarHBondContact O-N 3.1Å; Q55-Y58 PolarHBondContact O-N 2.99Å
56	D	80	Confident	74.8	Confident	113 Å²	113	106.3 Å²	106.3	60%	0.604	56%	0.557	S	S	*	*	H	α-helix	trans	-73.5	-21.1	-179.5	-62.4	-31.2	0	0	0	112.2	R53 E54	R53-D56 PolarHBondContact N-OD2 3.08Å; R53-D56 WeakPolarHBondContact O-CB 3.45Å; R53-D56 PolarHBondContact O-N 2.93Å; E54-D56 VanDerWaalsContact C-N 3.35Å; E54-D56 PolarHBondContact O-N 2.88Å
57	I	90.8	Very high	77.7	Confident	97 Å²	97	105 Å²	105	50%	0.497	55%	0.549	S	S	.	.	H	α-helix	trans	-86.7	-17.7	179.7	-51.1	175.2	0	0	0	111	F52 E54 Q55 S91	F52-I57 HydrophobicContact CB-CD1 3.96Å; F52-I57 HydrophobicContact CB-CG1 3.96Å; E54-I57 PolarHBondContact O-N 3.48Å; Q55-I57 VanDerWaalsContact C-N 3.28Å; Q55-I57 PolarHBondContact O-N 3.1Å; I57-S91 PolarHBondContact O-OG 3.14Å; I57-S91 VanDerWaalsContact O-OG 3.04Å
58	Y	94.7	Very high	80.6	Confident	73 Å²	73	102.9 Å²	102.9	29%	0.286	52%	0.519	S	S	.	.	S	Bend	trans	-92.2	139.9	-175	-63.2	-27.6	0	0	0	112.8	E54 Q55 Q87 E88	E54-Y58 HydrophobicContact CB-CE2 4.32Å; E54-Y58 WeakPolarHBondContact O-CD2 3.3Å; Q55-Y58 PolarHBondContact O-N 2.99Å; Y58-Q87 HydrophobicContact CG-CG 4.06Å; Y58-E88 HydrophobicContact CE1-CG 4.38Å
59	L	93.7	Very high	83.1	Confident	73 Å²	73	101.1 Å²	101.1	38%	0.382	50%	0.498	S	S	.	.	P	Polyproline II helix	trans	-63	145.8	169.9	-63	-175.9	0	0	0	110.1	I61 V64 Q87 V90 I94	L59-I61 PolarHBondContact O-N 3.28Å; L59-I61 VanDerWaalsContact O-N 3.13Å; L59-V64 HydrophobicContact CB-CG2 4.08Å; L59-Q87 PolarHBondContact O-NE2 3.24Å; L59-V90 HydrophobicContact CD1-CG1 3.92Å; L59-V90 HydrophobicContact CD1-CG2 3.93Å; L59-V90 HydrophobicContact CG-CG1 4.35Å; L59-I94 HydrophobicContact CD1-CD1 4.34Å
60	P	95.5	Very high	85.4	Confident	78 Å²	78	97.4 Å²	97.4	51%	0.506	49%	0.488	S	S	.	.	P	Polyproline II helix	trans	-52.4	123.7	179.4	-28.2	34.6	0	0	0	112.2	A62 N63 V64	P60-A62 PolarHBondContact O-N 3.39Å; P60-N63 WeakPolarHBondContact O-CB 3.31Å; P60-N63 PolarHBondContact O-N 3.17Å; P60-V64 PolarHBondContact O-N 3.43Å
61	I	96.1	Very high	87.5	Confident	69 Å²	69	95 Å²	95	35%	0.354	49%	0.492	S	S	.	.	H	α-helix	trans	-56.5	-30.1	-173.7	-166.7	62.4	0	0	0	112.9	L59 V64 A65 K83 Q87	L59-I61 PolarHBondContact O-N 3.28Å; L59-I61 VanDerWaalsContact O-N 3.13Å; I61-V64 PolarHBondContact O-N 3.34Å; I61-A65 VanDerWaalsContact O-CB 3.24Å; I61-A65 WeakPolarHBondContact O-CB 3.27Å; I61-A65 PolarHBondContact O-N 2.85Å; I61-K83 HydrophobicContact CD1-CB 3.71Å; I61-K83 HydrophobicContact CG1-CB 4.35Å; I61-Q87 HydrophobicContact CD1-CB 4Å; I61-Q87 HydrophobicContact CD1-CG 4.39Å
62	A	97.1	Very high	89.9	Confident	62 Å²	62	92.5 Å²	92.5	51%	0.512	47%	0.469	S	S	.	.	H	α-helix	trans	-66.2	-36.6	176.1	0	0	0	0	0	112.7	P60 R66	P60-A62 PolarHBondContact O-N 3.39Å; A62-R66 WeakPolarHBondContact O-CB 3.46Å; A62-R66 PolarHBondContact O-N 3.11Å
63	N	97	Very high	91.7	Very high	74 Å²	74	91.2 Å²	91.2	40%	0.396	47%	0.473	S	S	.	.	H	α-helix	trans	-71.1	-44.3	176.9	-69	-9.7	0	0	0	110.3	P60 A65 R66 I67	P60-N63 WeakPolarHBondContact O-CB 3.31Å; P60-N63 PolarHBondContact O-N 3.17Å; N63-A65 PolarHBondContact O-N 3.46Å; N63-R66 PolarHBondContact O-N 2.93Å; N63-I67 WeakPolarHBondContact O-CG1 3.42Å; N63-I67 PolarHBondContact O-N 3.08Å; N63-I67 VanDerWaalsContact O-N 3.12Å
64	V	97.5	Very high	93	Very high	11 Å²	11	91.7 Å²	91.7	7%	0.067	48%	0.483	C	S	.	.	H	α-helix	trans	-57.2	-50.8	173.7	179	0	0	0	0	110.2	L59 P60 I61 R66 I67 M68 V86 Q87 V90	L59-V64 HydrophobicContact CB-CG2 4.08Å; P60-V64 PolarHBondContact O-N 3.43Å; I61-V64 PolarHBondContact O-N 3.34Å; V64-R66 VanDerWaalsContact C-N 3.31Å; V64-R66 PolarHBondContact O-N 3.22Å; V64-I67 PolarHBondContact O-N 3.49Å; V64-M68 HydrophobicContact CG1-CG 4.27Å; V64-M68 HydrophobicContact CG1-SD 3.86Å; V64-M68 VanDerWaalsContact O-CG 3.3Å; V64-M68 WeakPolarHBondContact O-CG 3.38Å; V64-M68 PolarHBondContact O-N 3.45Å; V64-V86 HydrophobicContact CG1-CB 4.23Å; V64-V86 HydrophobicContact CG1-CG1 3.81Å; V64-Q87 HydrophobicContact CG2-CB 4.39Å; V64-Q87 HydrophobicContact CG2-CG 4.5Å; V64-V90 HydrophobicContact CG2-CG1 4.48Å
65	A	97.5	Very high	94.4	Very high	20 Å²	20	91.1 Å²	91.1	17%	0.165	49%	0.489	C	S	.	.	H	α-helix	trans	-60.1	-37.4	179.5	0	0	0	0	0	113.2	I61 N63 K69 K83	I61-A65 VanDerWaalsContact O-CB 3.24Å; I61-A65 WeakPolarHBondContact O-CB 3.27Å; I61-A65 PolarHBondContact O-N 2.85Å; N63-A65 PolarHBondContact O-N 3.46Å; A65-K69 VanDerWaalsContact O-CB 3.31Å; A65-K69 WeakPolarHBondContact O-CB 3.22Å; A65-K69 PolarHBondContact O-N 2.83Å; A65-K83 HydrophobicContact CB-CD 3.99Å; A65-K83 HydrophobicContact CB-CG 4.42Å
66	R	97.5	Very high	95.6	Very high	162 Å²	162	84.7 Å²	84.7	61%	0.611	47%	0.466	S	S	*	.	H	α-helix	trans	-64.3	-45.8	176.7	-173.1	-174.8	-63.1	146	2.4	111.4	A62 N63 V64 K69 N70	A62-R66 WeakPolarHBondContact O-CB 3.46Å; A62-R66 PolarHBondContact O-N 3.11Å; N63-R66 PolarHBondContact O-N 2.93Å; V64-R66 VanDerWaalsContact C-N 3.31Å; V64-R66 PolarHBondContact O-N 3.22Å; R66-K69 PolarHBondContact O-N 3.44Å; R66-N70 PolarHBondContact O-N 3.42Å; R66-N70 PolarHBondContact O-OD1 3.13Å
67	I	97.5	Very high	96.4	Very high	124 Å²	124	88.9 Å²	88.9	64%	0.636	48%	0.479	S	S	*	.	H	α-helix	trans	-65.3	-46.8	178.4	-65.9	169.6	0	0	0	110.5	N63 V64 K69 N70	N63-I67 WeakPolarHBondContact O-CG1 3.42Å; N63-I67 PolarHBondContact O-N 3.08Å; N63-I67 VanDerWaalsContact O-N 3.12Å; V64-I67 PolarHBondContact O-N 3.49Å; I67-K69 PolarHBondContact O-N 2.94Å; I67-N70 WeakPolarHBondContact O-CB 3.39Å; I67-N70 PolarHBondContact O-N 3.29Å; I67-N70 VanDerWaalsContact O-N 3.08Å
68	M	98.1	Very high	96.7	Very high	33 Å²	33	86.1 Å²	86.1	16%	0.163	46%	0.464	C	S	.	.	H	α-helix	trans	-57.6	-36.6	176.1	-67.4	174.3	75.2	0	0	111.9	V64 N70 A71 I78 A82 K83 V86	V64-M68 HydrophobicContact CG1-CG 4.27Å; V64-M68 HydrophobicContact CG1-SD 3.86Å; V64-M68 VanDerWaalsContact O-CG 3.3Å; V64-M68 WeakPolarHBondContact O-CG 3.38Å; V64-M68 PolarHBondContact O-N 3.45Å; M68-N70 VanDerWaalsContact C-N 3.27Å; M68-N70 PolarHBondContact O-N 3Å; M68-A71 PolarHBondContact O-N 3.23Å; M68-I78 HydrophobicContact CB-CD1 3.56Å; M68-I78 HydrophobicContact CE-CG2 3.45Å; M68-I78 VanDerWaalsContact CE-CG2 3.45Å; M68-I78 HydrophobicContact SD-CG2 4.33Å; M68-A82 HydrophobicContact CE-CB 4.43Å; M68-K83 HydrophobicContact SD-CB 4.33Å; M68-K83 HydrophobicContact SD-CG 4.11Å; M68-V86 HydrophobicContact CE-CB 4.14Å; M68-V86 HydrophobicContact CE-CG2 3.72Å; M68-V86 HydrophobicContact CG-CG1 4.12Å; M68-V86 HydrophobicContact SD-CB 3.86Å; M68-V86 HydrophobicContact SD-CG1 4.05Å; M68-V86 HydrophobicContact SD-CG2 4.1Å
69	K	97.9	Very high	96.9	Very high	68 Å²	68	85.6 Å²	85.6	30%	0.296	48%	0.475	S	S	.	.	H	α-helix	trans	-66.6	-29	179.7	-173	55	178.8	157.9	0	112.9	A65 R66 I67 A71 I72 P73 Q74 G76 I78	A65-K69 VanDerWaalsContact O-CB 3.31Å; A65-K69 WeakPolarHBondContact O-CB 3.22Å; A65-K69 PolarHBondContact O-N 2.83Å; R66-K69 PolarHBondContact O-N 3.44Å; I67-K69 PolarHBondContact O-N 2.94Å; K69-A71 VanDerWaalsContact C-N 3.29Å; K69-I72 HydrophobicContact CD-CD1 4.09Å; K69-I72 HydrophobicContact CD-CG1 4.08Å; K69-P73 PolarHBondContact NZ-O 3.31Å; K69-Q74 WeakPolarHBondContact CE-O 3.47Å; K69-Q74 VanDerWaalsContact NZ-C 3.3Å; K69-Q74 PolarHBondContact NZ-O 3.44Å; K69-G76 PolarHBondContact NZ-O 2.96Å; K69-I78 HydrophobicContact CB-CD1 4.27Å
70	N	96.9	Very high	97.1	Very high	132 Å²	132	88.4 Å²	88.4	71%	0.706	49%	0.485	S	S	*	.	H	α-helix	trans	-72.2	-23	175.6	-64.8	-10.7	0	0	0	112.7	R66 I67 M68 I72	R66-N70 PolarHBondContact O-N 3.42Å; R66-N70 PolarHBondContact O-OD1 3.13Å; I67-N70 WeakPolarHBondContact O-CB 3.39Å; I67-N70 PolarHBondContact O-N 3.29Å; I67-N70 VanDerWaalsContact O-N 3.08Å; M68-N70 VanDerWaalsContact C-N 3.27Å; M68-N70 PolarHBondContact O-N 3Å; N70-I72 VanDerWaalsContact C-N 3.32Å
71	A	96.5	Very high	97.2	Very high	87 Å²	87	90.2 Å²	90.2	72%	0.719	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-3	179.9	0	0	0	0	0	113.8	M68 K69	M68-A71 PolarHBondContact O-N 3.23Å; K69-A71 VanDerWaalsContact C-N 3.29Å
72	I	97.3	Very high	97.3	Very high	61 Å²	61	88.9 Å²	88.9	31%	0.313	49%	0.489	S	S	.	.	S	Bend	trans	-129.9	162.9	-178.1	67.5	168.2	0	0	0	111	K69 N70 I78	K69-I72 HydrophobicContact CD-CD1 4.09Å; K69-I72 HydrophobicContact CD-CG1 4.08Å; N70-I72 VanDerWaalsContact C-N 3.32Å; I72-I78 HydrophobicContact CD1-CD1 3.91Å; I72-I78 HydrophobicContact CD1-CG1 3.52Å
73	P	97.8	Very high	97.3	Very high	94 Å²	94	89.1 Å²	89.1	61%	0.61	48%	0.478	S	S	*	.			trans	-55.2	151	174.2	-27.1	35.7	0	0	0	113.4	K69 T75 G76	K69-P73 PolarHBondContact NZ-O 3.31Å; P73-T75 PolarHBondContact O-N 2.95Å; P73-T75 VanDerWaalsContact O-N 3.1Å; P73-G76 PolarHBondContact O-N 3.14Å
74	Q	94.3	Very high	97.4	Very high	189 Å²	189	88.7 Å²	88.7	88%	0.883	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-30.7	-179.4	-67.3	-173.3	12	0	0	113	K69	K69-Q74 WeakPolarHBondContact CE-O 3.47Å; K69-Q74 VanDerWaalsContact NZ-C 3.3Å; K69-Q74 PolarHBondContact NZ-O 3.44Å
75	T	95.9	Very high	97.4	Very high	133 Å²	133	91.4 Å²	91.4	82%	0.816	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-14	176.5	54.2	0	0	0	0	114.2	P73	P73-T75 PolarHBondContact O-N 2.95Å; P73-T75 VanDerWaalsContact O-N 3.1Å
76	G	97.2	Very high	97.4	Very high	25 Å²	25	93.2 Å²	93.2	26%	0.258	50%	0.502	S	S	.	.			trans	-66.4	149.7	-177.2	0	0	0	0	0	113.2	K69 P73	K69-G76 PolarHBondContact NZ-O 2.96Å; P73-G76 PolarHBondContact O-N 3.14Å
77	K	97.5	Very high	97.4	Very high	202 Å²	202	86.8 Å²	86.8	88%	0.878	48%	0.479	S	S	*	.			trans	-115	145.1	176.6	-64.4	-178.6	-178.6	178.2	0	109.6
78	I	97.7	Very high	97.4	Very high	38 Å²	38	85.8 Å²	85.8	20%	0.195	47%	0.471	C	S	.	.			trans	-114.4	121.7	177.4	-56.5	166.2	0	0	0	107.3	M68 K69 I72 A82 K83	M68-I78 HydrophobicContact CB-CD1 3.56Å; M68-I78 HydrophobicContact CE-CG2 3.45Å; M68-I78 VanDerWaalsContact CE-CG2 3.45Å; M68-I78 HydrophobicContact SD-CG2 4.33Å; K69-I78 HydrophobicContact CB-CD1 4.27Å; I72-I78 HydrophobicContact CD1-CD1 3.91Å; I72-I78 HydrophobicContact CD1-CG1 3.52Å; I78-A82 HydrophobicContact CG2-CB 4.08Å; I78-K83 HydrophobicContact CG2-CD 4.46Å; I78-K83 HydrophobicContact CG2-CG 3.64Å
79	A	98.3	Very high	97.3	Very high	62 Å²	62	87.5 Å²	87.5	51%	0.512	49%	0.485	S	S	.	.			trans	-62	155.7	176.4	0	0	0	0	0	111.5	A82 K83	A79-A82 HydrophobicContact CB-CB 4.25Å; A79-A82 PolarHBondContact O-N 3.1Å; A79-K83 PolarHBondContact O-N 3.06Å
80	K	97.8	Very high	97.3	Very high	133 Å²	133	86.2 Å²	86.2	58%	0.578	48%	0.483	S	S	*	.	H	α-helix	trans	-57.9	-52.7	177.2	-177	-178.2	173.1	-77.9	0	110.6	A82 K83 E84	K80-A82 PolarHBondContact O-N 2.81Å; K80-K83 WeakPolarHBondContact O-CB 3.31Å; K80-K83 PolarHBondContact O-N 3.25Å; K80-E84 WeakPolarHBondContact CE-OE1 3.27Å; K80-E84 IonicContact NZ-OE1 2.7Å; K80-E84 PolarHBondContact NZ-OE1 3.03Å; K80-E84 IonicContact NZ-OE2 3.34Å; K80-E84 PolarHBondContact NZ-OE2 3.45Å; K80-E84 PolarHBondContact O-N 2.92Å; K80-E84 VanDerWaalsContact O-N 3.16Å
81	D	98	Very high	97.2	Very high	116 Å²	116	80.4 Å²	80.4	62%	0.62	45%	0.453	S	S	*	.	H	α-helix	trans	-61.8	-32.5	-177	-50.1	-3.8	0	0	0	112.1	K83 E84 C85	D81-K83 VanDerWaalsContact C-N 3.33Å; D81-K83 PolarHBondContact O-N 2.62Å; D81-E84 PolarHBondContact O-N 2.88Å; D81-C85 VanDerWaalsContact O-CB 3.32Å; D81-C85 WeakPolarHBondContact O-CB 3.38Å; D81-C85 PolarHBondContact O-N 2.94Å
82	A	98.4	Very high	97.2	Very high	41 Å²	41	83 Å²	83	34%	0.339	45%	0.45	S	S	.	.	H	α-helix	trans	-66.8	-33.9	174.8	0	0	0	0	0	112.4	M68 I78 A79 K80 V86	M68-A82 HydrophobicContact CE-CB 4.43Å; I78-A82 HydrophobicContact CG2-CB 4.08Å; A79-A82 HydrophobicContact CB-CB 4.25Å; A79-A82 PolarHBondContact O-N 3.1Å; K80-A82 PolarHBondContact O-N 2.81Å; A82-V86 WeakPolarHBondContact O-CG2 3.29Å; A82-V86 PolarHBondContact O-N 3.2Å; A82-V86 VanDerWaalsContact O-N 3.13Å
83	K	97.9	Very high	97.2	Very high	66 Å²	66	83.8 Å²	83.8	29%	0.287	45%	0.452	S	S	.	.	H	α-helix	trans	-71.6	-40	175.9	-60.1	168.6	-175.2	175.5	0	111	I61 A65 M68 I78 A79 K80 D81 Q87	I61-K83 HydrophobicContact CD1-CB 3.71Å; I61-K83 HydrophobicContact CG1-CB 4.35Å; A65-K83 HydrophobicContact CB-CD 3.99Å; A65-K83 HydrophobicContact CB-CG 4.42Å; M68-K83 HydrophobicContact SD-CB 4.33Å; M68-K83 HydrophobicContact SD-CG 4.11Å; I78-K83 HydrophobicContact CG2-CD 4.46Å; I78-K83 HydrophobicContact CG2-CG 3.64Å; A79-K83 PolarHBondContact O-N 3.06Å; K80-K83 WeakPolarHBondContact O-CB 3.31Å; K80-K83 PolarHBondContact O-N 3.25Å; D81-K83 VanDerWaalsContact C-N 3.33Å; D81-K83 PolarHBondContact O-N 2.62Å; K83-Q87 VanDerWaalsContact O-CB 3.27Å; K83-Q87 WeakPolarHBondContact O-CB 3.32Å; K83-Q87 PolarHBondContact O-N 3.23Å
84	E	97.3	Very high	97.2	Very high	66 Å²	66	83 Å²	83	31%	0.308	44%	0.442	S	S	.	.	H	α-helix	trans	-65.3	-45.7	177.4	-68.2	173.5	155	0	0	110.1	K80 D81 V86 Q87 E88	K80-E84 WeakPolarHBondContact CE-OE1 3.27Å; K80-E84 IonicContact NZ-OE1 2.7Å; K80-E84 PolarHBondContact NZ-OE1 3.03Å; K80-E84 IonicContact NZ-OE2 3.34Å; K80-E84 PolarHBondContact NZ-OE2 3.45Å; K80-E84 PolarHBondContact O-N 2.92Å; K80-E84 VanDerWaalsContact O-N 3.16Å; D81-E84 PolarHBondContact O-N 2.88Å; E84-V86 PolarHBondContact O-N 3.3Å; E84-Q87 WeakPolarHBondContact O-CB 3.38Å; E84-Q87 PolarHBondContact O-N 2.93Å; E84-Q87 VanDerWaalsContact O-N 3.14Å; E84-E88 WeakPolarHBondContact O-CG 3.5Å; E84-E88 PolarHBondContact O-N 3.16Å
85	C	98	Very high	97.3	Very high	67 Å²	67	77.8 Å²	77.8	45%	0.453	43%	0.426	S	S	.	.	H	α-helix	trans	-57.7	-47.6	173.9	176.4	0	0	0	0	112.8	D81 Q87 E88 C89	D81-C85 VanDerWaalsContact O-CB 3.32Å; D81-C85 WeakPolarHBondContact O-CB 3.38Å; D81-C85 PolarHBondContact O-N 2.94Å; C85-Q87 VanDerWaalsContact C-N 3.31Å; C85-Q87 PolarHBondContact O-N 3.49Å; C85-E88 PolarHBondContact O-N 2.86Å; C85-C89 PolarHBondContact O-N 3.12Å; C85-C89 PolarHBondContact O-SG 3.32Å
86	V	98.3	Very high	97.3	Very high	58 Å²	58	76.1 Å²	76.1	35%	0.352	41%	0.407	S	S	.	.	H	α-helix	trans	-68	-32.3	177.7	173.7	0	0	0	0	112.1	V64 M68 A82 E84 C89 V90	V64-V86 HydrophobicContact CG1-CB 4.23Å; V64-V86 HydrophobicContact CG1-CG1 3.81Å; M68-V86 HydrophobicContact CE-CB 4.14Å; M68-V86 HydrophobicContact CE-CG2 3.72Å; M68-V86 HydrophobicContact CG-CG1 4.12Å; M68-V86 HydrophobicContact SD-CB 3.86Å; M68-V86 HydrophobicContact SD-CG1 4.05Å; M68-V86 HydrophobicContact SD-CG2 4.1Å; A82-V86 WeakPolarHBondContact O-CG2 3.29Å; A82-V86 PolarHBondContact O-N 3.2Å; A82-V86 VanDerWaalsContact O-N 3.13Å; E84-V86 PolarHBondContact O-N 3.3Å; V86-C89 PolarHBondContact O-N 3.26Å; V86-V90 WeakPolarHBondContact O-CB 3.41Å; V86-V90 WeakPolarHBondContact O-CG1 3.14Å; V86-V90 PolarHBondContact O-N 3.44Å
87	Q	97.1	Very high	97.4	Very high	28 Å²	28	75.3 Å²	75.3	13%	0.131	40%	0.397	C	S	.	.	H	α-helix	trans	-63.6	-41.1	174.4	-179.3	-177.1	48.7	0	0	111.6	Y58 L59 I61 V64 K83 E84 C85 V90 S91	Y58-Q87 HydrophobicContact CG-CG 4.06Å; L59-Q87 PolarHBondContact O-NE2 3.24Å; I61-Q87 HydrophobicContact CD1-CB 4Å; I61-Q87 HydrophobicContact CD1-CG 4.39Å; V64-Q87 HydrophobicContact CG2-CB 4.39Å; V64-Q87 HydrophobicContact CG2-CG 4.5Å; K83-Q87 VanDerWaalsContact O-CB 3.27Å; K83-Q87 WeakPolarHBondContact O-CB 3.32Å; K83-Q87 PolarHBondContact O-N 3.23Å; E84-Q87 WeakPolarHBondContact O-CB 3.38Å; E84-Q87 PolarHBondContact O-N 2.93Å; E84-Q87 VanDerWaalsContact O-N 3.14Å; C85-Q87 VanDerWaalsContact C-N 3.31Å; C85-Q87 PolarHBondContact O-N 3.49Å; Q87-V90 VanDerWaalsContact O-CG1 3.25Å; Q87-V90 WeakPolarHBondContact O-CG1 3.49Å; Q87-S91 PolarHBondContact O-N 2.99Å; Q87-S91 PolarHBondContact O-OG 3.01Å
88	E	96.7	Very high	97.4	Very high	103 Å²	103	67.9 Å²	67.9	48%	0.481	37%	0.369	S	S	.	.	H	α-helix	trans	-66.2	-49.2	173.4	-69	168.7	-166.1	0	0	110.9	Y58 E84 C85 V90 S91 E92	Y58-E88 HydrophobicContact CE1-CG 4.38Å; E84-E88 WeakPolarHBondContact O-CG 3.5Å; E84-E88 PolarHBondContact O-N 3.16Å; C85-E88 PolarHBondContact O-N 2.86Å; E88-V90 VanDerWaalsContact C-N 3.31Å; E88-V90 PolarHBondContact O-N 3.48Å; E88-S91 PolarHBondContact O-N 3.18Å; E88-S91 VanDerWaalsContact O-N 3.16Å; E88-E92 PolarHBondContact O-N 3.45Å
89	C	97.8	Very high	97.4	Very high	68 Å²	68	69.4 Å²	69.4	46%	0.459	38%	0.383	S	S	.	.	H	α-helix	trans	-60.2	-37.4	-179.8	-67.8	0	0	0	0	113.1	C85 V86 F93	C85-C89 PolarHBondContact O-N 3.12Å; C85-C89 PolarHBondContact O-SG 3.32Å; V86-C89 PolarHBondContact O-N 3.26Å; C89-F93 WeakPolarHBondContact O-CB 3.41Å; C89-F93 PolarHBondContact O-N 3.31Å
90	V	97.5	Very high	97.4	Very high	41 Å²	41	68.8 Å²	68.8	25%	0.248	37%	0.369	C	S	.	.	H	α-helix	trans	-71.5	-35.5	179	69.2	0	0	0	0	111.7	L59 V64 V86 Q87 E88 F93 I94	L59-V90 HydrophobicContact CD1-CG1 3.92Å; L59-V90 HydrophobicContact CD1-CG2 3.93Å; L59-V90 HydrophobicContact CG-CG1 4.35Å; V64-V90 HydrophobicContact CG2-CG1 4.48Å; V86-V90 WeakPolarHBondContact O-CB 3.41Å; V86-V90 WeakPolarHBondContact O-CG1 3.14Å; V86-V90 PolarHBondContact O-N 3.44Å; Q87-V90 VanDerWaalsContact O-CG1 3.25Å; Q87-V90 WeakPolarHBondContact O-CG1 3.49Å; E88-V90 VanDerWaalsContact C-N 3.31Å; E88-V90 PolarHBondContact O-N 3.48Å; V90-F93 PolarHBondContact O-N 3.12Å; V90-I94 HydrophobicContact CG2-CD1 4.47Å; V90-I94 VanDerWaalsContact O-CG1 3.3Å; V90-I94 WeakPolarHBondContact O-CG1 3.46Å; V90-I94 PolarHBondContact O-N 2.97Å
91	S	94.4	Very high	97.5	Very high	11 Å²	11	62.5 Å²	62.5	8%	0.077	34%	0.342	C	S	.	.	H	α-helix	trans	-66.1	-44.5	173.6	-74.7	0	0	0	0	111	I57 Q87 E88 F93 I94 S95	I57-S91 PolarHBondContact O-OG 3.14Å; I57-S91 VanDerWaalsContact O-OG 3.04Å; Q87-S91 PolarHBondContact O-N 2.99Å; Q87-S91 PolarHBondContact O-OG 3.01Å; E88-S91 PolarHBondContact O-N 3.18Å; E88-S91 VanDerWaalsContact O-N 3.16Å; S91-F93 VanDerWaalsContact C-N 3.35Å; S91-F93 PolarHBondContact O-N 3.44Å; S91-I94 PolarHBondContact O-N 3.24Å; S91-S95 PolarHBondContact O-N 2.91Å; S91-S95 VanDerWaalsContact O-N 3.12Å; S91-S95 PolarHBondContact O-OG 3.03Å
92	E	95.9	Very high	97.5	Very high	140 Å²	140	58.4 Å²	58.4	65%	0.654	32%	0.322	S	S	*	.	H	α-helix	trans	-61.3	-42.7	173.3	-174.4	177.9	-175.9	0	0	111.7	E88 I94 S95 F96	E88-E92 PolarHBondContact O-N 3.45Å; E92-I94 VanDerWaalsContact C-N 3.35Å; E92-I94 PolarHBondContact O-N 2.62Å; E92-S95 PolarHBondContact O-N 3.5Å; E92-F96 VanDerWaalsContact O-CB 3.31Å; E92-F96 WeakPolarHBondContact O-CB 3.41Å; E92-F96 PolarHBondContact O-N 3.35Å
93	F	98.2	Very high	97.4	Very high	78 Å²	78	61.1 Å²	61.1	34%	0.342	33%	0.328	S	S	.	.	H	α-helix	trans	-59	-44.1	177.2	178.9	-100.3	0	0	0	112	C89 V90 S91 F96 I97 M122 F127	C89-F93 WeakPolarHBondContact O-CB 3.41Å; C89-F93 PolarHBondContact O-N 3.31Å; V90-F93 PolarHBondContact O-N 3.12Å; S91-F93 VanDerWaalsContact C-N 3.35Å; S91-F93 PolarHBondContact O-N 3.44Å; F93-F96 PolarHBondContact O-N 3.31Å; F93-I97 HydrophobicContact CD1-CG1 4.35Å; F93-I97 HydrophobicContact CD2-CG1 4.25Å; F93-I97 HydrophobicContact CE1-CG1 3.95Å; F93-I97 HydrophobicContact CE2-CD1 3.93Å; F93-I97 HydrophobicContact CE2-CG1 3.84Å; F93-I97 HydrophobicContact CG-CG1 4.49Å; F93-I97 HydrophobicContact CZ-CD1 4.04Å; F93-I97 HydrophobicContact CZ-CG1 3.69Å; F93-I97 WeakPolarHBondContact O-CG1 3.24Å; F93-I97 PolarHBondContact O-N 3.48Å; F93-M122 HydrophobicContact CE1-CE 4.37Å; F93-M122 HydrophobicContact CZ-CE 4.07Å; F93-M122 HydrophobicContact CZ-SD 4.38Å; F93-F127 HydrophobicContact CD2-CZ 4.32Å; F93-F127 HydrophobicContact CE2-CD2 4.36Å; F93-F127 HydrophobicContact CE2-CE1 4.04Å; F93-F127 AromaticContact CE2-CE2 3.85Å; F93-F127 HydrophobicContact CE2-CE2 3.85Å; F93-F127 AromaticContact CE2-CZ 3.67Å; F93-F127 HydrophobicContact CE2-CZ 3.67Å
94	I	96.9	Very high	97.4	Very high	79 Å²	79	60.6 Å²	60.6	41%	0.405	32%	0.324	S	S	.	.	H	α-helix	trans	-60.4	-47.8	175.9	-68.6	163.8	0	0	0	110.2	L59 V90 S91 E92 F96 T98	L59-I94 HydrophobicContact CD1-CD1 4.34Å; V90-I94 HydrophobicContact CG2-CD1 4.47Å; V90-I94 VanDerWaalsContact O-CG1 3.3Å; V90-I94 WeakPolarHBondContact O-CG1 3.46Å; V90-I94 PolarHBondContact O-N 2.97Å; S91-I94 PolarHBondContact O-N 3.24Å; E92-I94 VanDerWaalsContact C-N 3.35Å; E92-I94 PolarHBondContact O-N 2.62Å; I94-F96 VanDerWaalsContact C-N 3.34Å; I94-F96 PolarHBondContact O-N 3.32Å; I94-T98 WeakPolarHBondContact O-CB 3.4Å; I94-T98 PolarHBondContact O-N 3.19Å; I94-T98 PolarHBondContact O-OG1 3.25Å
95	S	96	Very high	97.4	Very high	78 Å²	78	57.4 Å²	57.4	55%	0.545	31%	0.309	S	S	.	.	H	α-helix	trans	-61.5	-41.8	177.6	-65	0	0	0	0	112.3	S91 E92 T98 S99	S91-S95 PolarHBondContact O-N 2.91Å; S91-S95 VanDerWaalsContact O-N 3.12Å; S91-S95 PolarHBondContact O-OG 3.03Å; E92-S95 PolarHBondContact O-N 3.5Å; S95-T98 PolarHBondContact O-N 3.41Å; S95-S99 WeakPolarHBondContact O-CB 3.49Å; S95-S99 PolarHBondContact O-N 3.38Å; S95-S99 PolarHBondContact O-OG 3.33Å
96	F	97.6	Very high	97.4	Very high	98 Å²	98	58.4 Å²	58.4	43%	0.43	31%	0.307	S	S	.	.	H	α-helix	trans	-63.1	-54.6	180	-177.3	-130	0	0	0	111.7	E92 F93 I94 T98 S99 E100 L125 F127	E92-F96 VanDerWaalsContact O-CB 3.31Å; E92-F96 WeakPolarHBondContact O-CB 3.41Å; E92-F96 PolarHBondContact O-N 3.35Å; F93-F96 PolarHBondContact O-N 3.31Å; I94-F96 VanDerWaalsContact C-N 3.34Å; I94-F96 PolarHBondContact O-N 3.32Å; F96-T98 VanDerWaalsContact C-N 3.3Å; F96-T98 PolarHBondContact O-N 2.79Å; F96-S99 PolarHBondContact O-N 3.46Å; F96-S99 PolarHBondContact O-OG 3.3Å; F96-E100 PolarHBondContact O-N 3.41Å; F96-L125 HydrophobicContact CD1-CD1 4.13Å; F96-L125 HydrophobicContact CE1-CB 4.47Å; F96-L125 HydrophobicContact CE1-CD1 3.81Å; F96-L125 HydrophobicContact CE1-CD2 4.07Å; F96-L125 HydrophobicContact CE1-CG 4.34Å; F96-L125 HydrophobicContact CE2-CD2 4.21Å; F96-L125 HydrophobicContact CZ-CD1 4.07Å; F96-L125 HydrophobicContact CZ-CD2 3.6Å; F96-L125 HydrophobicContact CZ-CG 4.34Å; F96-F127 HydrophobicContact CE1-CE2 4.41Å
97	I	98.3	Very high	97.3	Very high	9 Å²	9	61.9 Å²	61.9	5%	0.046	32%	0.319	C	S	.	.	H	α-helix	trans	-60.3	-41.4	176.9	-60.5	-55.2	0	0	0	111.4	F93 S99 E100 A101 I118 A121 M122 L125 F127	F93-I97 HydrophobicContact CD1-CG1 4.35Å; F93-I97 HydrophobicContact CD2-CG1 4.25Å; F93-I97 HydrophobicContact CE1-CG1 3.95Å; F93-I97 HydrophobicContact CE2-CD1 3.93Å; F93-I97 HydrophobicContact CE2-CG1 3.84Å; F93-I97 HydrophobicContact CG-CG1 4.49Å; F93-I97 HydrophobicContact CZ-CD1 4.04Å; F93-I97 HydrophobicContact CZ-CG1 3.69Å; F93-I97 WeakPolarHBondContact O-CG1 3.24Å; F93-I97 PolarHBondContact O-N 3.48Å; I97-S99 VanDerWaalsContact C-N 3.32Å; I97-S99 PolarHBondContact O-N 3.12Å; I97-E100 PolarHBondContact O-N 3.28Å; I97-A101 WeakPolarHBondContact O-CB 3.43Å; I97-A101 PolarHBondContact O-N 3.38Å; I97-I118 HydrophobicContact CG2-CD1 4.49Å; I97-I118 HydrophobicContact CG2-CG2 4.35Å; I97-A121 HydrophobicContact CG2-CB 4.22Å; I97-M122 HydrophobicContact CD1-CE 4.33Å; I97-M122 HydrophobicContact CD1-SD 3.95Å; I97-M122 HydrophobicContact CG1-CE 4.12Å; I97-M122 HydrophobicContact CG1-SD 4.4Å; I97-M122 HydrophobicContact CG2-CE 4.03Å; I97-L125 HydrophobicContact CD1-CD1 3.57Å; I97-F127 HydrophobicContact CD1-CD2 3.91Å; I97-F127 HydrophobicContact CD1-CE2 3.9Å
98	T	98	Very high	97.2	Very high	45 Å²	45	65 Å²	65	28%	0.276	33%	0.334	S	S	.	.	H	α-helix	trans	-66.1	-36.1	-178.6	-56.1	0	0	0	0	111.7	I94 S95 F96 A101 S102 I113	I94-T98 WeakPolarHBondContact O-CB 3.4Å; I94-T98 PolarHBondContact O-N 3.19Å; I94-T98 PolarHBondContact O-OG1 3.25Å; S95-T98 PolarHBondContact O-N 3.41Å; F96-T98 VanDerWaalsContact C-N 3.3Å; F96-T98 PolarHBondContact O-N 2.79Å; T98-A101 PolarHBondContact O-N 2.95Å; T98-S102 WeakPolarHBondContact O-CB 3.23Å; T98-S102 PolarHBondContact O-N 2.95Å; T98-I113 HydrophobicContact CG2-CD1 4.13Å
99	S	98	Very high	97.2	Very high	70 Å²	70	69.4 Å²	69.4	49%	0.49	35%	0.352	S	S	.	.	H	α-helix	trans	-62.9	-46.3	176.2	67.5	0	0	0	0	112.5	S95 F96 I97 S102 E103	S95-S99 WeakPolarHBondContact O-CB 3.49Å; S95-S99 PolarHBondContact O-N 3.38Å; S95-S99 PolarHBondContact O-OG 3.33Å; F96-S99 PolarHBondContact O-N 3.46Å; F96-S99 PolarHBondContact O-OG 3.3Å; I97-S99 VanDerWaalsContact C-N 3.32Å; I97-S99 PolarHBondContact O-N 3.12Å; S99-S102 WeakPolarHBondContact O-CB 3.18Å; S99-S102 PolarHBondContact O-N 3.34Å; S99-E103 PolarHBondContact O-N 3.16Å
100	E	98.3	Very high	97.2	Very high	50 Å²	50	68.9 Å²	68.9	23%	0.234	34%	0.34	C	S	.	.	H	α-helix	trans	-64.7	-43.1	176.9	-178.4	64.7	-154.4	0	0	111.7	F96 I97 S102 E103 R104 A121 L125	F96-E100 PolarHBondContact O-N 3.41Å; I97-E100 PolarHBondContact O-N 3.28Å; E100-S102 VanDerWaalsContact C-N 3.32Å; E100-S102 PolarHBondContact O-N 3.06Å; E100-E103 PolarHBondContact O-N 3.33Å; E100-R104 PolarHBondContact O-N 2.92Å; E100-R104 VanDerWaalsContact O-N 3.17Å; E100-A121 HydrophobicContact CB-CB 3.87Å; E100-A121 HydrophobicContact CG-CB 3.66Å; E100-L125 HydrophobicContact CB-CD1 3.84Å; E100-L125 HydrophobicContact CB-CG 4.36Å; E100-L125 HydrophobicContact CG-CD1 4.03Å; E100-L125 HydrophobicContact CG-CD2 4.29Å; E100-L125 HydrophobicContact CG-CG 4.04Å
101	A	98.6	Very high	97.1	Very high	0 Å²	0	72.8 Å²	72.8	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-65.1	-36.9	177.1	0	0	0	0	0	112.4	I97 T98 C105 I113 D117 I118 A121	I97-A101 WeakPolarHBondContact O-CB 3.43Å; I97-A101 PolarHBondContact O-N 3.38Å; T98-A101 PolarHBondContact O-N 2.95Å; A101-C105 WeakPolarHBondContact O-CB 3.31Å; A101-C105 PolarHBondContact O-N 3.13Å; A101-I113 HydrophobicContact CB-CG2 3.98Å; A101-D117 HydrophobicContact CB-CB 4.01Å; A101-I118 HydrophobicContact CB-CD1 3.76Å; A101-A121 HydrophobicContact CB-CB 4.08Å
102	S	98.1	Very high	97.3	Very high	30 Å²	30	74.6 Å²	74.6	21%	0.21	36%	0.364	C	S	.	.	H	α-helix	trans	-64.3	-41.1	175.3	-175.3	0	0	0	0	111.8	T98 S99 E100 C105 H106	T98-S102 WeakPolarHBondContact O-CB 3.23Å; T98-S102 PolarHBondContact O-N 2.95Å; S99-S102 WeakPolarHBondContact O-CB 3.18Å; S99-S102 PolarHBondContact O-N 3.34Å; E100-S102 VanDerWaalsContact C-N 3.32Å; E100-S102 PolarHBondContact O-N 3.06Å; S102-C105 WeakPolarHBondContact O-CB 3.37Å; S102-C105 PolarHBondContact O-N 2.74Å; S102-H106 PolarHBondContact O-N 3.39Å; S102-H106 PolarHBondContact O-ND1 3.27Å
103	E	97.6	Very high	97.4	Very high	98 Å²	98	68.9 Å²	68.9	46%	0.458	34%	0.338	S	S	.	.	H	α-helix	trans	-61.1	-49.2	177.4	179.8	55.3	-147.8	0	0	110.7	S99 E100 C105 H106 Q107	S99-E103 PolarHBondContact O-N 3.16Å; E100-E103 PolarHBondContact O-N 3.33Å; E103-C105 PolarHBondContact O-N 3.16Å; E103-H106 PolarHBondContact O-N 2.86Å; E103-Q107 VanDerWaalsContact O-CG 3.31Å; E103-Q107 WeakPolarHBondContact O-CG 3.27Å; E103-Q107 PolarHBondContact O-N 3.26Å; E103-Q107 PolarHBondContact OE1-NE2 3.44Å
104	R	96.5	Very high	97.3	Very high	55 Å²	55	68.1 Å²	68.1	21%	0.208	34%	0.337	C	S	.	.	H	α-helix	trans	-58.5	-45.3	173.9	176	170.3	177.8	-149.6	2.1	112.5	E100 H106 Q107 E108 E116 D117 F120	E100-R104 PolarHBondContact O-N 2.92Å; E100-R104 VanDerWaalsContact O-N 3.17Å; R104-H106 VanDerWaalsContact C-N 3.3Å; R104-H106 PolarHBondContact O-N 3.03Å; R104-Q107 PolarHBondContact O-N 2.86Å; R104-E108 IonicContact CZ-OE1 3.61Å; R104-E108 IonicContact NE-OE1 3.44Å; R104-E108 PolarHBondContact NE-OE1 3.01Å; R104-E108 IonicContact NH2-OE1 2.62Å; R104-E108 PolarHBondContact NH2-OE1 3.48Å; R104-E108 PolarHBondContact O-N 3.37Å; R104-E116 PolarHBondContact NH1-O 3.04Å; R104-D117 IonicContact NE-OD1 3Å; R104-F120 HydrophobicContact CB-CD1 4.17Å; R104-F120 HydrophobicContact CB-CE1 4.25Å; R104-F120 HydrophobicContact CG-CD1 4.29Å; R104-F120 HydrophobicContact CG-CE1 4.47Å
105	C	97.8	Very high	97.3	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-57	-45.3	178.5	174.4	0	0	0	0	111.5	A101 S102 E103 E108 K109 R110 T112 I113	A101-C105 WeakPolarHBondContact O-CB 3.31Å; A101-C105 PolarHBondContact O-N 3.13Å; S102-C105 WeakPolarHBondContact O-CB 3.37Å; S102-C105 PolarHBondContact O-N 2.74Å; E103-C105 PolarHBondContact O-N 3.16Å; C105-E108 PolarHBondContact O-N 3.02Å; C105-K109 PolarHBondContact O-N 2.68Å; C105-R110 PolarHBondContact O-N 3.49Å; C105-R110 VanDerWaalsContact SG-C 3.54Å; C105-R110 VanDerWaalsContact SG-CB 3.57Å; C105-R110 PolarHBondContact SG-NH1 3.3Å; C105-R110 VanDerWaalsContact SG-NH1 3.4Å; C105-R110 PolarHBondContact SG-O 3.02Å; C105-T112 PolarHBondContact SG-N 3.32Å; C105-T112 VanDerWaalsContact SG-N 3.44Å; C105-T112 PolarHBondContact SG-O 3.45Å; C105-I113 HydrophobicContact CB-CG1 4.12Å
106	H	97	Very high	97.4	Very high	88 Å²	88	65.2 Å²	65.2	41%	0.407	32%	0.32	S	S	.	.	H	α-helix	trans	-66	-41.7	176.9	-84.1	90.9	0	0	0	112.8	S102 E103 R104 E108 K109 T181	S102-H106 PolarHBondContact O-N 3.39Å; S102-H106 PolarHBondContact O-ND1 3.27Å; E103-H106 PolarHBondContact O-N 2.86Å; R104-H106 VanDerWaalsContact C-N 3.3Å; R104-H106 PolarHBondContact O-N 3.03Å; H106-E108 PolarHBondContact O-N 3.34Å; H106-K109 WeakPolarHBondContact O-CA 3.49Å; H106-K109 PolarHBondContact O-N 3.17Å; H106-T181 VanDerWaalsContact CE1-CB 3.43Å; H106-T181 WeakPolarHBondContact CE1-CB 3.21Å; H106-T181 PolarHBondContact CE1-OG1 3.26Å
107	Q	96.3	Very high	97.4	Very high	130 Å²	130	60.6 Å²	60.6	61%	0.607	30%	0.3	S	S	*	.	H	α-helix	trans	-58.9	-36.4	175.8	-71.7	175	16.6	0	0	111.9	E103 R104 K109	E103-Q107 VanDerWaalsContact O-CG 3.31Å; E103-Q107 WeakPolarHBondContact O-CG 3.27Å; E103-Q107 PolarHBondContact O-N 3.26Å; E103-Q107 PolarHBondContact OE1-NE2 3.44Å; R104-Q107 PolarHBondContact O-N 2.86Å; Q107-K109 PolarHBondContact O-N 2.92Å
108	E	96.3	Very high	97.4	Very high	94 Å²	94	62.7 Å²	62.7	44%	0.439	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	9.3	173.9	-68.2	-172.8	-164.1	0	0	113.9	R104 C105 H106 R110	R104-E108 IonicContact CZ-OE1 3.61Å; R104-E108 IonicContact NE-OE1 3.44Å; R104-E108 PolarHBondContact NE-OE1 3.01Å; R104-E108 IonicContact NH2-OE1 2.62Å; R104-E108 PolarHBondContact NH2-OE1 3.48Å; R104-E108 PolarHBondContact O-N 3.37Å; C105-E108 PolarHBondContact O-N 3.02Å; H106-E108 PolarHBondContact O-N 3.34Å; E108-R110 VanDerWaalsContact CD-NH2 3.27Å; E108-R110 PolarHBondContact O-N 2.87Å; E108-R110 IonicContact OE1-NH2 3.49Å; E108-R110 IonicContact OE2-CZ 3.86Å; E108-R110 IonicContact OE2-NE 2.65Å; E108-R110 PolarHBondContact OE2-NE 2.8Å; E108-R110 VanDerWaalsContact OE2-NE 3.08Å; E108-R110 IonicContact OE2-NH2 3.51Å; E108-R110 PolarHBondContact OE2-NH2 3.41Å
109	K	96.5	Very high	97.4	Very high	196 Å²	196	61.2 Å²	61.2	85%	0.852	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.8	31.1	-179.4	-54.5	-179.3	-179.2	-179.5	0	113.6	C105 H106 Q107	C105-K109 PolarHBondContact O-N 2.68Å; H106-K109 WeakPolarHBondContact O-CA 3.49Å; H106-K109 PolarHBondContact O-N 3.17Å; Q107-K109 PolarHBondContact O-N 2.92Å
110	R	97.6	Very high	97.4	Very high	56 Å²	56	61.6 Å²	61.6	21%	0.211	29%	0.294	C	S	.	.			trans	-100.8	154	174	-68.4	-178.2	-72.9	100.3	-4.9	109.9	C105 E108 T112 D117	C105-R110 PolarHBondContact O-N 3.49Å; C105-R110 VanDerWaalsContact SG-C 3.54Å; C105-R110 VanDerWaalsContact SG-CB 3.57Å; C105-R110 PolarHBondContact SG-NH1 3.3Å; C105-R110 VanDerWaalsContact SG-NH1 3.4Å; C105-R110 PolarHBondContact SG-O 3.02Å; E108-R110 VanDerWaalsContact CD-NH2 3.27Å; E108-R110 PolarHBondContact O-N 2.87Å; E108-R110 IonicContact OE1-NH2 3.49Å; E108-R110 IonicContact OE2-CZ 3.86Å; E108-R110 IonicContact OE2-NE 2.65Å; E108-R110 PolarHBondContact OE2-NE 2.8Å; E108-R110 VanDerWaalsContact OE2-NE 3.08Å; E108-R110 IonicContact OE2-NH2 3.51Å; E108-R110 PolarHBondContact OE2-NH2 3.41Å; R110-T112 PolarHBondContact NH1-O 3.45Å; R110-T112 VanDerWaalsContact NH1-O 3.1Å; R110-D117 IonicContact CZ-OD1 3.51Å; R110-D117 IonicContact CZ-OD2 3.27Å; R110-D117 IonicContact NH1-OD1 2.72Å; R110-D117 PolarHBondContact NH1-OD1 3.29Å; R110-D117 IonicContact NH1-OD2 2.76Å; R110-D117 PolarHBondContact NH1-OD2 3.41Å; R110-D117 IonicContact NH2-OD1 3.43Å; R110-D117 PolarHBondContact NH2-OD1 3.38Å; R110-D117 IonicContact NH2-OD2 2.85Å; R110-D117 PolarHBondContact NH2-OD2 3.03Å
111	K	96	Very high	97.4	Very high	124 Å²	124	59.2 Å²	59.2	54%	0.539	28%	0.283	S	S	.	.	S	Bend	trans	-105.6	4.6	176.5	-61.2	-178.1	170	-151.3	0	113	T180 T181 D182	K111-T180 WeakPolarHBondContact O-CA 3.3Å; K111-T181 WeakPolarHBondContact CA-OG1 3.15Å; K111-T181 PolarHBondContact O-N 3.28Å; K111-T181 PolarHBondContact O-OG1 2.97Å; K111-D182 WeakPolarHBondContact CD-OD2 3.22Å; K111-D182 WeakPolarHBondContact CE-OD2 3.16Å; K111-D182 IonicContact NZ-OD2 2.67Å; K111-D182 PolarHBondContact NZ-OD2 3.25Å
112	T	97	Very high	97.4	Very high	48 Å²	48	60 Å²	60	29%	0.294	29%	0.287	S	S	.	.	B	Isolated β-bridge	trans	-140.5	116.8	-167.8	-58.2	0	0	0	0	108.8	C105 R110 L178	C105-T112 PolarHBondContact SG-N 3.32Å; C105-T112 VanDerWaalsContact SG-N 3.44Å; C105-T112 PolarHBondContact SG-O 3.45Å; R110-T112 PolarHBondContact NH1-O 3.45Å; R110-T112 VanDerWaalsContact NH1-O 3.1Å; T112-L178 HydrophobicContact CG2-CB 4.44Å; T112-L178 HydrophobicContact CG2-CD1 4.28Å; T112-L178 HydrophobicContact CG2-CD2 3.31Å; T112-L178 HydrophobicContact CG2-CG 3.37Å
113	I	97.9	Very high	97.4	Very high	20 Å²	20	61.2 Å²	61.2	10%	0.103	30%	0.295	C	S	.	.			trans	-70.7	130.3	174.6	-55.5	175.8	0	0	0	108	T98 A101 C105 D117 I118 T181	T98-I113 HydrophobicContact CG2-CD1 4.13Å; A101-I113 HydrophobicContact CB-CG2 3.98Å; C105-I113 HydrophobicContact CB-CG1 4.12Å; I113-D117 WeakPolarHBondContact CA-OD2 3.36Å; I113-D117 HydrophobicContact CG2-CB 3.8Å; I113-I118 HydrophobicContact CG2-CD1 4.09Å; I113-T181 HydrophobicContact CD1-CG2 4.4Å; I113-T181 HydrophobicContact CG1-CG2 4.21Å
114	N	96.7	Very high	97.4	Very high	62 Å²	62	60.2 Å²	60.2	33%	0.332	30%	0.296	S	S	.	.			trans	-114.9	175.6	176.3	70.7	40.9	0	0	0	111.1	E116 D117	N114-E116 PolarHBondContact O-N 2.9Å; N114-E116 WeakPolarHBondContact OD1-CA 3.25Å; N114-E116 VanDerWaalsContact OD1-CB 3.27Å; N114-E116 WeakPolarHBondContact OD1-CB 3.41Å; N114-E116 PolarHBondContact OD1-N 2.86Å; N114-D117 PolarHBondContact N-OD2 2.87Å; N114-D117 WeakPolarHBondContact O-CB 3.36Å; N114-D117 PolarHBondContact O-N 2.97Å; N114-D117 PolarHBondContact OD1-N 2.66Å; N114-D117 VanDerWaalsContact OD1-N 3.1Å; N114-D117 PolarHBondContact OD1-OD2 3Å
115	G	97.1	Very high	97.5	Very high	24 Å²	24	59.7 Å²	59.7	25%	0.247	30%	0.297	C	S	.	.	H	α-helix	trans	-62.2	-28	-179.3	0	0	0	0	0	114.5	D117 I118 L119	G115-D117 VanDerWaalsContact C-N 3.35Å; G115-I118 PolarHBondContact O-N 3.1Å; G115-L119 WeakPolarHBondContact O-CG 3.48Å; G115-L119 PolarHBondContact O-N 3.17Å; G115-L119 VanDerWaalsContact O-N 3.16Å
116	E	97.6	Very high	97.5	Very high	73 Å²	73	62.2 Å²	62.2	34%	0.341	32%	0.323	S	S	.	.	H	α-helix	trans	-71.9	-31.1	177.8	-52.2	-59.2	152.8	0	0	111.8	R104 N114 I118 L119 F120 L138 R142	R104-E116 PolarHBondContact NH1-O 3.04Å; N114-E116 PolarHBondContact O-N 2.9Å; N114-E116 WeakPolarHBondContact OD1-CA 3.25Å; N114-E116 VanDerWaalsContact OD1-CB 3.27Å; N114-E116 WeakPolarHBondContact OD1-CB 3.41Å; N114-E116 PolarHBondContact OD1-N 2.86Å; E116-I118 VanDerWaalsContact C-N 3.34Å; E116-L119 PolarHBondContact O-N 2.87Å; E116-F120 PolarHBondContact O-N 3.05Å; E116-L138 WeakPolarHBondContact OE1-CD2 3.41Å; E116-R142 IonicContact OE1-CZ 4Å; E116-R142 VanDerWaalsContact OE1-CZ 3.27Å; E116-R142 IonicContact OE1-NH1 3.05Å; E116-R142 PolarHBondContact OE1-NH1 3.5Å; E116-R142 IonicContact OE1-NH2 3.08Å; E116-R142 PolarHBondContact OE1-NH2 3.43Å
117	D	98.1	Very high	97.5	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-62.9	-43.2	174.2	-62.2	-46.6	0	0	0	111.1	A101 R104 R110 I113 N114 G115 F120 A121	A101-D117 HydrophobicContact CB-CB 4.01Å; R104-D117 IonicContact NE-OD1 3Å; R110-D117 IonicContact CZ-OD1 3.51Å; R110-D117 IonicContact CZ-OD2 3.27Å; R110-D117 IonicContact NH1-OD1 2.72Å; R110-D117 PolarHBondContact NH1-OD1 3.29Å; R110-D117 IonicContact NH1-OD2 2.76Å; R110-D117 PolarHBondContact NH1-OD2 3.41Å; R110-D117 IonicContact NH2-OD1 3.43Å; R110-D117 PolarHBondContact NH2-OD1 3.38Å; R110-D117 IonicContact NH2-OD2 2.85Å; R110-D117 PolarHBondContact NH2-OD2 3.03Å; I113-D117 WeakPolarHBondContact CA-OD2 3.36Å; I113-D117 HydrophobicContact CG2-CB 3.8Å; N114-D117 PolarHBondContact N-OD2 2.87Å; N114-D117 WeakPolarHBondContact O-CB 3.36Å; N114-D117 PolarHBondContact O-N 2.97Å; N114-D117 PolarHBondContact OD1-N 2.66Å; N114-D117 VanDerWaalsContact OD1-N 3.1Å; N114-D117 PolarHBondContact OD1-OD2 3Å; G115-D117 VanDerWaalsContact C-N 3.35Å; D117-F120 PolarHBondContact O-N 3.43Å; D117-A121 WeakPolarHBondContact O-CB 3.42Å; D117-A121 PolarHBondContact O-N 3.26Å
118	I	98.3	Very high	97.5	Very high	53 Å²	53	58.9 Å²	58.9	27%	0.272	31%	0.31	S	S	.	.	H	α-helix	trans	-63.3	-44.5	176.6	-55.8	-61.2	0	0	0	110.8	I97 A101 I113 G115 E116 F120 A121 M122	I97-I118 HydrophobicContact CG2-CD1 4.49Å; I97-I118 HydrophobicContact CG2-CG2 4.35Å; A101-I118 HydrophobicContact CB-CD1 3.76Å; I113-I118 HydrophobicContact CG2-CD1 4.09Å; G115-I118 PolarHBondContact O-N 3.1Å; E116-I118 VanDerWaalsContact C-N 3.34Å; I118-F120 VanDerWaalsContact C-N 3.28Å; I118-F120 PolarHBondContact O-N 3.44Å; I118-A121 PolarHBondContact O-N 2.85Å; I118-M122 HydrophobicContact CG2-CE 4.38Å; I118-M122 HydrophobicContact CG2-CG 4.48Å; I118-M122 VanDerWaalsContact O-CG 3.27Å; I118-M122 WeakPolarHBondContact O-CG 3.47Å; I118-M122 PolarHBondContact O-N 3.11Å
119	L	98.3	Very high	97.6	Very high	14 Å²	14	58.8 Å²	58.8	7%	0.073	32%	0.319	C	S	.	.	H	α-helix	trans	-61.5	-38.1	178.5	-71.7	172.8	0	0	0	112.2	G115 E116 S123 V131 L134 K135 L138	G115-L119 WeakPolarHBondContact O-CG 3.48Å; G115-L119 PolarHBondContact O-N 3.17Å; G115-L119 VanDerWaalsContact O-N 3.16Å; E116-L119 PolarHBondContact O-N 2.87Å; L119-S123 PolarHBondContact O-N 3.02Å; L119-V131 HydrophobicContact CD2-CG1 4.39Å; L119-L134 HydrophobicContact CD2-CB 3.53Å; L119-K135 HydrophobicContact CD1-CG 3.69Å; L119-K135 HydrophobicContact CD2-CG 3.93Å; L119-K135 HydrophobicContact CG-CG 4.46Å; L119-L138 HydrophobicContact CD1-CD2 3.79Å
120	F	98	Very high	97.6	Very high	78 Å²	78	55.8 Å²	55.8	34%	0.342	30%	0.304	S	S	.	.	H	α-helix	trans	-68.6	-46.7	174.1	172.5	-82.6	0	0	0	112.3	R104 E116 D117 I118 M122 S123 T124	R104-F120 HydrophobicContact CB-CD1 4.17Å; R104-F120 HydrophobicContact CB-CE1 4.25Å; R104-F120 HydrophobicContact CG-CD1 4.29Å; R104-F120 HydrophobicContact CG-CE1 4.47Å; E116-F120 PolarHBondContact O-N 3.05Å; D117-F120 PolarHBondContact O-N 3.43Å; I118-F120 VanDerWaalsContact C-N 3.28Å; I118-F120 PolarHBondContact O-N 3.44Å; F120-M122 PolarHBondContact O-N 2.84Å; F120-S123 PolarHBondContact O-N 3.48Å; F120-T124 HydrophobicContact CE1-CG2 4.49Å; F120-T124 VanDerWaalsContact CE1-OG1 3.23Å; F120-T124 WeakPolarHBondContact CE1-OG1 3.21Å; F120-T124 WeakPolarHBondContact CZ-OG1 3.43Å; F120-T124 WeakPolarHBondContact O-CB 3.21Å; F120-T124 PolarHBondContact O-N 3.3Å; F120-T124 PolarHBondContact O-OG1 3.02Å; F120-T124 VanDerWaalsContact O-OG1 3.12Å
121	A	98.4	Very high	97.6	Very high	0 Å²	0	54 Å²	54	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-55.4	-43.1	177.2	0	0	0	0	0	111.1	I97 E100 A101 D117 I118 S123 T124 L125	I97-A121 HydrophobicContact CG2-CB 4.22Å; E100-A121 HydrophobicContact CB-CB 3.87Å; E100-A121 HydrophobicContact CG-CB 3.66Å; A101-A121 HydrophobicContact CB-CB 4.08Å; D117-A121 WeakPolarHBondContact O-CB 3.42Å; D117-A121 PolarHBondContact O-N 3.26Å; I118-A121 PolarHBondContact O-N 2.85Å; A121-S123 PolarHBondContact O-N 2.76Å; A121-T124 PolarHBondContact O-N 2.97Å; A121-L125 VanDerWaalsContact O-CB 3.27Å; A121-L125 WeakPolarHBondContact O-CB 3.34Å; A121-L125 WeakPolarHBondContact O-CG 3.4Å; A121-L125 PolarHBondContact O-N 2.95Å
122	M	98.4	Very high	97.7	Very high	18 Å²	18	54 Å²	54	9%	0.089	30%	0.301	C	S	.	.	H	α-helix	trans	-58.8	-45.6	175.6	-69.4	-68	-176.8	0	0	112.5	F93 I97 I118 F120 G126 F127 V131 L134	F93-M122 HydrophobicContact CE1-CE 4.37Å; F93-M122 HydrophobicContact CZ-CE 4.07Å; F93-M122 HydrophobicContact CZ-SD 4.38Å; I97-M122 HydrophobicContact CD1-CE 4.33Å; I97-M122 HydrophobicContact CD1-SD 3.95Å; I97-M122 HydrophobicContact CG1-CE 4.12Å; I97-M122 HydrophobicContact CG1-SD 4.4Å; I97-M122 HydrophobicContact CG2-CE 4.03Å; I118-M122 HydrophobicContact CG2-CE 4.38Å; I118-M122 HydrophobicContact CG2-CG 4.48Å; I118-M122 VanDerWaalsContact O-CG 3.27Å; I118-M122 WeakPolarHBondContact O-CG 3.47Å; I118-M122 PolarHBondContact O-N 3.11Å; F120-M122 PolarHBondContact O-N 2.84Å; M122-G126 PolarHBondContact O-N 3.28Å; M122-F127 HydrophobicContact CB-CB 4.29Å; M122-F127 CarbonylContact O-C 3.59Å; M122-F127 WeakPolarHBondContact O-CA 3.27Å; M122-F127 VanDerWaalsContact O-CB 3.31Å; M122-F127 WeakPolarHBondContact O-CB 3.38Å; M122-F127 PolarHBondContact O-N 3.31Å; M122-F127 HydrophobicContact SD-CB 3.91Å; M122-F127 HydrophobicContact SD-CD2 4.34Å; M122-F127 HydrophobicContact SD-CG 4.33Å; M122-V131 HydrophobicContact CB-CG2 3.95Å; M122-L134 HydrophobicContact CE-CD1 4Å; M122-L134 HydrophobicContact CG-CD1 3.87Å; M122-L134 HydrophobicContact SD-CD1 4.38Å
123	S	97.9	Very high	97.8	Very high	55 Å²	55	55.5 Å²	55.5	39%	0.385	31%	0.311	S	S	.	.	H	α-helix	trans	-69.6	-45.8	179.1	-170	0	0	0	0	112	L119 F120 A121 L125 G126 D128	L119-S123 PolarHBondContact O-N 3.02Å; F120-S123 PolarHBondContact O-N 3.48Å; A121-S123 PolarHBondContact O-N 2.76Å; S123-L125 VanDerWaalsContact C-N 3.27Å; S123-L125 PolarHBondContact O-N 3.35Å; S123-G126 PolarHBondContact O-N 2.88Å; S123-G126 VanDerWaalsContact O-N 3.11Å; S123-D128 PolarHBondContact OG-OD1 3.35Å
124	T	97.5	Very high	97.8	Very high	76 Å²	76	57.2 Å²	57.2	47%	0.466	32%	0.32	S	S	.	.	H	α-helix	trans	-61	-36.2	-179.2	-60.1	0	0	0	0	112.4	F120 A121 G126	F120-T124 HydrophobicContact CE1-CG2 4.49Å; F120-T124 VanDerWaalsContact CE1-OG1 3.23Å; F120-T124 WeakPolarHBondContact CE1-OG1 3.21Å; F120-T124 WeakPolarHBondContact CZ-OG1 3.43Å; F120-T124 WeakPolarHBondContact O-CB 3.21Å; F120-T124 PolarHBondContact O-N 3.3Å; F120-T124 PolarHBondContact O-OG1 3.02Å; F120-T124 VanDerWaalsContact O-OG1 3.12Å; A121-T124 PolarHBondContact O-N 2.97Å; T124-G126 VanDerWaalsContact C-N 3.31Å; T124-G126 PolarHBondContact O-N 3.41Å
125	L	97.9	Very high	97.9	Very high	45 Å²	45	58.9 Å²	58.9	24%	0.236	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	1.8	-179.4	-62.2	173.7	0	0	0	113.8	F96 I97 E100 A121 S123 F127	F96-L125 HydrophobicContact CD1-CD1 4.13Å; F96-L125 HydrophobicContact CE1-CB 4.47Å; F96-L125 HydrophobicContact CE1-CD1 3.81Å; F96-L125 HydrophobicContact CE1-CD2 4.07Å; F96-L125 HydrophobicContact CE1-CG 4.34Å; F96-L125 HydrophobicContact CE2-CD2 4.21Å; F96-L125 HydrophobicContact CZ-CD1 4.07Å; F96-L125 HydrophobicContact CZ-CD2 3.6Å; F96-L125 HydrophobicContact CZ-CG 4.34Å; I97-L125 HydrophobicContact CD1-CD1 3.57Å; E100-L125 HydrophobicContact CB-CD1 3.84Å; E100-L125 HydrophobicContact CB-CG 4.36Å; E100-L125 HydrophobicContact CG-CD1 4.03Å; E100-L125 HydrophobicContact CG-CD2 4.29Å; E100-L125 HydrophobicContact CG-CG 4.04Å; A121-L125 VanDerWaalsContact O-CB 3.27Å; A121-L125 WeakPolarHBondContact O-CB 3.34Å; A121-L125 WeakPolarHBondContact O-CG 3.4Å; A121-L125 PolarHBondContact O-N 2.95Å; S123-L125 VanDerWaalsContact C-N 3.27Å; S123-L125 PolarHBondContact O-N 3.35Å; L125-F127 HydrophobicContact CB-CD2 3.84Å; L125-F127 HydrophobicContact CB-CE2 4Å
126	G	97.9	Very high	97.9	Very high	53 Å²	53	62 Å²	62	55%	0.546	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.7	19.9	176.5	0	0	0	0	0	115.2	M122 S123 T124 D128	M122-G126 PolarHBondContact O-N 3.28Å; S123-G126 PolarHBondContact O-N 2.88Å; S123-G126 VanDerWaalsContact O-N 3.11Å; T124-G126 VanDerWaalsContact C-N 3.31Å; T124-G126 PolarHBondContact O-N 3.41Å; G126-D128 VanDerWaalsContact C-N 3.3Å; G126-D128 PolarHBondContact O-N 3.29Å
127	F	97.7	Very high	97.9	Very high	58 Å²	58	63.1 Å²	63.1	25%	0.254	34%	0.337	S	S	.	.			trans	-94	34.9	174.7	-65.6	-67.6	0	0	0	112.1	F93 F96 I97 M122 L125 S129 Y130	F93-F127 HydrophobicContact CD2-CZ 4.32Å; F93-F127 HydrophobicContact CE2-CD2 4.36Å; F93-F127 HydrophobicContact CE2-CE1 4.04Å; F93-F127 AromaticContact CE2-CE2 3.85Å; F93-F127 HydrophobicContact CE2-CE2 3.85Å; F93-F127 AromaticContact CE2-CZ 3.67Å; F93-F127 HydrophobicContact CE2-CZ 3.67Å; F96-F127 HydrophobicContact CE1-CE2 4.41Å; I97-F127 HydrophobicContact CD1-CD2 3.91Å; I97-F127 HydrophobicContact CD1-CE2 3.9Å; M122-F127 HydrophobicContact CB-CB 4.29Å; M122-F127 CarbonylContact O-C 3.59Å; M122-F127 WeakPolarHBondContact O-CA 3.27Å; M122-F127 VanDerWaalsContact O-CB 3.31Å; M122-F127 WeakPolarHBondContact O-CB 3.38Å; M122-F127 PolarHBondContact O-N 3.31Å; M122-F127 HydrophobicContact SD-CB 3.91Å; M122-F127 HydrophobicContact SD-CD2 4.34Å; M122-F127 HydrophobicContact SD-CG 4.33Å; L125-F127 HydrophobicContact CB-CD2 3.84Å; L125-F127 HydrophobicContact CB-CE2 4Å; F127-S129 PolarHBondContact O-N 3.31Å; F127-S129 VanDerWaalsContact O-N 3.1Å; F127-Y130 HydrophobicContact CB-CD2 3.88Å; F127-Y130 HydrophobicContact CD1-CD2 4.18Å; F127-Y130 HydrophobicContact CD1-CE2 4.05Å; F127-Y130 HydrophobicContact CG-CD2 4.47Å; F127-Y130 WeakPolarHBondContact O-CB 3.5Å; F127-Y130 PolarHBondContact O-N 3.42Å
128	D	97	Very high	97.8	Very high	90 Å²	90	64.3 Å²	64.3	48%	0.481	34%	0.343	S	S	.	.	H	α-helix	trans	-56.8	-32.3	-171.6	-58.8	-78.7	0	0	0	113.9	S123 G126 Y130 V131	S123-D128 PolarHBondContact OG-OD1 3.35Å; G126-D128 VanDerWaalsContact C-N 3.3Å; G126-D128 PolarHBondContact O-N 3.29Å; D128-Y130 PolarHBondContact O-N 3.13Å; D128-Y130 VanDerWaalsContact O-N 3.1Å; D128-V131 WeakPolarHBondContact O-CB 3.34Å; D128-V131 PolarHBondContact O-N 3.31Å; D128-V131 VanDerWaalsContact O-N 3.08Å
129	S	97.5	Very high	97.7	Very high	91 Å²	91	66.8 Å²	66.8	64%	0.636	35%	0.353	S	S	*	.	H	α-helix	trans	-60.4	-20.9	177	58.2	0	0	0	0	113.8	F127	F127-S129 PolarHBondContact O-N 3.31Å; F127-S129 VanDerWaalsContact O-N 3.1Å
130	Y	97.7	Very high	97.6	Very high	134 Å²	134	71.8 Å²	71.8	53%	0.525	37%	0.374	S	S	.	.	H	α-helix	trans	-93.7	-16.8	178.9	-61.2	-77.1	0	0	0	113.1	F127 D128 E132 P133 L134	F127-Y130 HydrophobicContact CB-CD2 3.88Å; F127-Y130 HydrophobicContact CD1-CD2 4.18Å; F127-Y130 HydrophobicContact CD1-CE2 4.05Å; F127-Y130 HydrophobicContact CG-CD2 4.47Å; F127-Y130 WeakPolarHBondContact O-CB 3.5Å; F127-Y130 PolarHBondContact O-N 3.42Å; D128-Y130 PolarHBondContact O-N 3.13Å; D128-Y130 VanDerWaalsContact O-N 3.1Å; Y130-E132 PolarHBondContact O-N 3.05Å; Y130-P133 WeakPolarHBondContact O-CD 3.07Å; Y130-L134 VanDerWaalsContact O-CB 3.29Å; Y130-L134 WeakPolarHBondContact O-CB 3.48Å; Y130-L134 WeakPolarHBondContact O-CD1 3.3Å; Y130-L134 WeakPolarHBondContact O-CG 3.44Å; Y130-L134 PolarHBondContact O-N 3.31Å
131	V	98	Very high	97.5	Very high	18 Å²	18	71.7 Å²	71.7	11%	0.109	37%	0.374	C	S	.	.	H	α-helix	trans	-62.4	-46.5	-173.4	174.2	0	0	0	0	111.5	L119 M122 D128 L134 K135	L119-V131 HydrophobicContact CD2-CG1 4.39Å; M122-V131 HydrophobicContact CB-CG2 3.95Å; D128-V131 WeakPolarHBondContact O-CB 3.34Å; D128-V131 PolarHBondContact O-N 3.31Å; D128-V131 VanDerWaalsContact O-N 3.08Å; V131-L134 PolarHBondContact O-N 3.4Å; V131-K135 HydrophobicContact CG1-CD 4.33Å; V131-K135 WeakPolarHBondContact O-CG 3.38Å; V131-K135 PolarHBondContact O-N 3.26Å
132	E	97.9	Very high	97.3	Very high	125 Å²	125	77 Å²	77	58%	0.584	39%	0.394	S	S	*	.	H	α-helix	trans	-68.2	-47.5	-176.9	-165.2	60.7	-152.9	0	0	112.8	Y130 L134 K135 L136	Y130-E132 PolarHBondContact O-N 3.05Å; E132-L134 VanDerWaalsContact C-N 3.27Å; E132-L134 PolarHBondContact O-N 3.29Å; E132-K135 PolarHBondContact O-N 2.94Å; E132-K135 IonicContact OE2-NZ 2.96Å; E132-L136 PolarHBondContact O-N 3.4Å
133	P	98.1	Very high	97.1	Very high	79 Å²	79	81 Å²	81	51%	0.513	41%	0.412	S	S	.	.	H	α-helix	trans	-55.2	-40.2	170	-26.9	34.7	0	0	0	113.7	Y130 L136 Y137	Y130-P133 WeakPolarHBondContact O-CD 3.07Å; P133-L136 PolarHBondContact O-N 3.25Å; P133-Y137 WeakPolarHBondContact O-CB 3.31Å; P133-Y137 PolarHBondContact O-N 2.93Å
134	L	98.3	Very high	96.8	Very high	55 Å²	55	81.3 Å²	81.3	29%	0.288	42%	0.418	S	S	.	.	H	α-helix	trans	-70.2	-34.4	180	-72.7	170.8	0	0	0	112.8	L119 M122 Y130 V131 E132 Y137 L138	L119-L134 HydrophobicContact CD2-CB 3.53Å; M122-L134 HydrophobicContact CE-CD1 4Å; M122-L134 HydrophobicContact CG-CD1 3.87Å; M122-L134 HydrophobicContact SD-CD1 4.38Å; Y130-L134 VanDerWaalsContact O-CB 3.29Å; Y130-L134 WeakPolarHBondContact O-CB 3.48Å; Y130-L134 WeakPolarHBondContact O-CD1 3.3Å; Y130-L134 WeakPolarHBondContact O-CG 3.44Å; Y130-L134 PolarHBondContact O-N 3.31Å; V131-L134 PolarHBondContact O-N 3.4Å; E132-L134 VanDerWaalsContact C-N 3.27Å; E132-L134 PolarHBondContact O-N 3.29Å; L134-Y137 PolarHBondContact O-N 2.99Å; L134-L138 WeakPolarHBondContact O-CB 3.46Å; L134-L138 PolarHBondContact O-N 2.7Å
135	K	97.9	Very high	96.4	Very high	98 Å²	98	81.5 Å²	81.5	43%	0.426	42%	0.415	S	S	.	.	H	α-helix	trans	-61.9	-47	172.4	-78.5	174.4	-175.4	166.8	0	111.5	L119 V131 E132 Y137 L138 Q139	L119-K135 HydrophobicContact CD1-CG 3.69Å; L119-K135 HydrophobicContact CD2-CG 3.93Å; L119-K135 HydrophobicContact CG-CG 4.46Å; V131-K135 HydrophobicContact CG1-CD 4.33Å; V131-K135 WeakPolarHBondContact O-CG 3.38Å; V131-K135 PolarHBondContact O-N 3.26Å; E132-K135 PolarHBondContact O-N 2.94Å; E132-K135 IonicContact OE2-NZ 2.96Å; K135-Y137 VanDerWaalsContact C-N 3.3Å; K135-Y137 PolarHBondContact O-N 2.99Å; K135-L138 PolarHBondContact O-N 3.08Å; K135-Q139 PolarHBondContact O-N 3.47Å
136	L	97.6	Very high	95.8	Very high	89 Å²	89	87.1 Å²	87.1	47%	0.466	44%	0.438	S	S	.	.	H	α-helix	trans	-59.9	-44.1	176.3	178.6	61.9	0	0	0	110.8	E132 P133 Q139 K140	E132-L136 PolarHBondContact O-N 3.4Å; P133-L136 PolarHBondContact O-N 3.25Å; L136-Q139 PolarHBondContact O-N 3.35Å; L136-K140 WeakPolarHBondContact O-CG 3.36Å; L136-K140 PolarHBondContact O-N 2.71Å
137	Y	97.6	Very high	94.3	Very high	97 Å²	97	87.1 Å²	87.1	38%	0.38	44%	0.438	S	S	.	.	H	α-helix	trans	-59.8	-47.1	175.9	-178.5	-96.3	0	0	0	112.2	P133 L134 K135 Q139 K140 F141 F170	P133-Y137 WeakPolarHBondContact O-CB 3.31Å; P133-Y137 PolarHBondContact O-N 2.93Å; L134-Y137 PolarHBondContact O-N 2.99Å; K135-Y137 VanDerWaalsContact C-N 3.3Å; K135-Y137 PolarHBondContact O-N 2.99Å; Y137-Q139 VanDerWaalsContact C-N 3.32Å; Y137-Q139 PolarHBondContact O-N 2.65Å; Y137-K140 PolarHBondContact O-N 3.1Å; Y137-F141 WeakPolarHBondContact O-CB 3.4Å; Y137-F141 PolarHBondContact O-N 3.4Å; Y137-F170 HydrophobicContact CD2-CZ 4.33Å; Y137-F170 HydrophobicContact CE2-CD1 4.22Å; Y137-F170 AromaticContact CE2-CE1 3.38Å; Y137-F170 HydrophobicContact CE2-CE1 3.38Å; Y137-F170 AromaticContact CE2-CE2 3.98Å; Y137-F170 HydrophobicContact CE2-CE2 3.98Å; Y137-F170 AromaticContact CE2-CZ 3.23Å; Y137-F170 HydrophobicContact CE2-CZ 3.23Å; Y137-F170 AromaticContact CZ-CE1 3.66Å; Y137-F170 AromaticContact CZ-CZ 3.68Å; Y137-F170 WeakPolarHBondContact OH-CE1 3.46Å; Y137-F170 WeakPolarHBondContact OH-CZ 3.45Å
138	L	96.2	Very high	92.6	Very high	24 Å²	24	91.2 Å²	91.2	13%	0.126	46%	0.457	C	S	.	.	H	α-helix	trans	-61.9	-39	178	-179.6	60.9	0	0	0	112.1	E116 L119 L134 K135 R142	E116-L138 WeakPolarHBondContact OE1-CD2 3.41Å; L119-L138 HydrophobicContact CD1-CD2 3.79Å; L134-L138 WeakPolarHBondContact O-CB 3.46Å; L134-L138 PolarHBondContact O-N 2.7Å; K135-L138 PolarHBondContact O-N 3.08Å; L138-R142 VanDerWaalsContact O-CG 3.3Å; L138-R142 WeakPolarHBondContact O-CG 3.49Å; L138-R142 PolarHBondContact O-N 3.06Å
139	Q	96.4	Very high	90.5	Very high	106 Å²	106	96.4 Å²	96.4	50%	0.495	48%	0.476	S	S	.	.	H	α-helix	trans	-61.5	-53.2	174.6	-178.8	-175.9	-31.5	0	0	111	K135 L136 Y137 F141 R142 E143	K135-Q139 PolarHBondContact O-N 3.47Å; L136-Q139 PolarHBondContact O-N 3.35Å; Y137-Q139 VanDerWaalsContact C-N 3.32Å; Y137-Q139 PolarHBondContact O-N 2.65Å; Q139-F141 VanDerWaalsContact C-N 3.29Å; Q139-F141 PolarHBondContact O-N 2.72Å; Q139-R142 WeakPolarHBondContact O-CB 3.24Å; Q139-R142 PolarHBondContact O-N 3.05Å; Q139-R142 VanDerWaalsContact O-N 3.11Å; Q139-E143 WeakPolarHBondContact CG-OE1 3.35Å; Q139-E143 PolarHBondContact NE2-OE1 3.43Å; Q139-E143 WeakPolarHBondContact O-CG 3.37Å; Q139-E143 PolarHBondContact O-N 3.49Å
140	K	96.1	Very high	87.8	Confident	118 Å²	118	94.8 Å²	94.8	51%	0.513	47%	0.473	S	S	.	.	H	α-helix	trans	-59	-40.5	178.5	-71.3	-174.8	176.6	-170.1	0	112	L136 Y137 R142 E143 A144	L136-K140 WeakPolarHBondContact O-CG 3.36Å; L136-K140 PolarHBondContact O-N 2.71Å; Y137-K140 PolarHBondContact O-N 3.1Å; K140-R142 PolarHBondContact O-N 3.44Å; K140-E143 PolarHBondContact O-N 3.19Å; K140-A144 PolarHBondContact O-N 3.4Å
141	F	94.9	Very high	85.2	Confident	76 Å²	76	97.2 Å²	97.2	33%	0.333	49%	0.494	S	S	.	.	H	α-helix	trans	-59.9	-44.9	175.1	178.9	-96.6	0	0	0	112	Y137 Q139 E143 A144 M145 A176	Y137-F141 WeakPolarHBondContact O-CB 3.4Å; Y137-F141 PolarHBondContact O-N 3.4Å; Q139-F141 VanDerWaalsContact C-N 3.29Å; Q139-F141 PolarHBondContact O-N 2.72Å; F141-E143 PolarHBondContact O-N 2.81Å; F141-A144 PolarHBondContact O-N 3.31Å; F141-M145 HydrophobicContact CD1-CG 4.33Å; F141-M145 HydrophobicContact CE1-CG 3.96Å; F141-M145 HydrophobicContact CE2-CE 3.73Å; F141-M145 HydrophobicContact CE2-CG 4.39Å; F141-M145 HydrophobicContact CZ-CE 3.8Å; F141-M145 HydrophobicContact CZ-CG 3.99Å; F141-M145 HydrophobicContact CZ-SD 4.32Å; F141-M145 WeakPolarHBondContact O-CB 3.39Å; F141-M145 VanDerWaalsContact O-CG 3.24Å; F141-M145 WeakPolarHBondContact O-CG 3.41Å; F141-M145 PolarHBondContact O-N 3.05Å; F141-A176 HydrophobicContact CZ-CB 4.2Å
142	R	94.4	Very high	82.1	Confident	113 Å²	113	100.1 Å²	100.1	43%	0.426	53%	0.527	S	S	.	.	H	α-helix	trans	-65.4	-36.7	176.8	-74.2	170.8	170.2	159.9	0.9	112.5	E116 L138 Q139 K140 K146	E116-R142 IonicContact OE1-CZ 4Å; E116-R142 VanDerWaalsContact OE1-CZ 3.27Å; E116-R142 IonicContact OE1-NH1 3.05Å; E116-R142 PolarHBondContact OE1-NH1 3.5Å; E116-R142 IonicContact OE1-NH2 3.08Å; E116-R142 PolarHBondContact OE1-NH2 3.43Å; L138-R142 VanDerWaalsContact O-CG 3.3Å; L138-R142 WeakPolarHBondContact O-CG 3.49Å; L138-R142 PolarHBondContact O-N 3.06Å; Q139-R142 WeakPolarHBondContact O-CB 3.24Å; Q139-R142 PolarHBondContact O-N 3.05Å; Q139-R142 VanDerWaalsContact O-N 3.11Å; K140-R142 PolarHBondContact O-N 3.44Å; R142-K146 WeakPolarHBondContact O-CG 3.43Å; R142-K146 PolarHBondContact O-N 3.15Å
143	E	94.3	Very high	79	Confident	100 Å²	100	97.7 Å²	97.7	47%	0.467	54%	0.535	S	S	.	.	H	α-helix	trans	-65.5	-46.9	175.7	-71.5	167.5	-175.7	0	0	111.3	Q139 K140 F141 M145 K146 G147	Q139-E143 WeakPolarHBondContact CG-OE1 3.35Å; Q139-E143 PolarHBondContact NE2-OE1 3.43Å; Q139-E143 WeakPolarHBondContact O-CG 3.37Å; Q139-E143 PolarHBondContact O-N 3.49Å; K140-E143 PolarHBondContact O-N 3.19Å; F141-E143 PolarHBondContact O-N 2.81Å; E143-M145 VanDerWaalsContact C-N 3.34Å; E143-M145 PolarHBondContact O-N 3.1Å; E143-K146 PolarHBondContact O-N 3.28Å; E143-K146 VanDerWaalsContact O-N 3.15Å; E143-G147 PolarHBondContact O-N 3.41Å
144	A	92.6	Very high	76.1	Confident	62 Å²	62	98.3 Å²	98.3	51%	0.512	55%	0.548	S	S	.	.	H	α-helix	trans	-59.2	-43.4	176.3	0	0	0	0	0	112.1	K140 F141 K146 G147 E148	K140-A144 PolarHBondContact O-N 3.4Å; F141-A144 PolarHBondContact O-N 3.31Å; A144-K146 VanDerWaalsContact C-N 3.25Å; A144-K146 PolarHBondContact O-N 3.27Å; A144-G147 PolarHBondContact O-N 3.47Å; A144-G147 VanDerWaalsContact O-N 3.1Å; A144-E148 PolarHBondContact O-N 3.3Å
145	M	88.1	Confident	73.2	Confident	80 Å²	80	102.4 Å²	102.4	39%	0.394	57%	0.574	S	S	.	*	H	α-helix	trans	-66.3	-22.3	178.5	-72	-74	146.5	0	0	113.9	F141 E143	F141-M145 HydrophobicContact CD1-CG 4.33Å; F141-M145 HydrophobicContact CE1-CG 3.96Å; F141-M145 HydrophobicContact CE2-CE 3.73Å; F141-M145 HydrophobicContact CE2-CG 4.39Å; F141-M145 HydrophobicContact CZ-CE 3.8Å; F141-M145 HydrophobicContact CZ-CG 3.99Å; F141-M145 HydrophobicContact CZ-SD 4.32Å; F141-M145 WeakPolarHBondContact O-CB 3.39Å; F141-M145 VanDerWaalsContact O-CG 3.24Å; F141-M145 WeakPolarHBondContact O-CG 3.41Å; F141-M145 PolarHBondContact O-N 3.05Å; E143-M145 VanDerWaalsContact C-N 3.34Å; E143-M145 PolarHBondContact O-N 3.1Å
146	K	86.5	Confident	70.4	Confident	164 Å²	164	104.7 Å²	104.7	71%	0.713	60%	0.597	S	S	*	*	H	α-helix	trans	-77.9	-33.8	172.6	-71.9	170.8	-177	177.3	0	111.8	R142 E143 A144	R142-K146 WeakPolarHBondContact O-CG 3.43Å; R142-K146 PolarHBondContact O-N 3.15Å; E143-K146 PolarHBondContact O-N 3.28Å; E143-K146 VanDerWaalsContact O-N 3.15Å; A144-K146 VanDerWaalsContact C-N 3.25Å; A144-K146 PolarHBondContact O-N 3.27Å
147	G	66.4	Low	67.4	Low	53 Å²	53	104.8 Å²	104.8	55%	0.546	61%	0.61	S	S	.	*	H	α-helix	trans	-70.7	-26.4	-177	0	0	0	0	0	114.5	E143 A144 K149 G150	E143-G147 PolarHBondContact O-N 3.41Å; A144-G147 PolarHBondContact O-N 3.47Å; A144-G147 VanDerWaalsContact O-N 3.1Å; G147-K149 PolarHBondContact O-N 3.28Å; G147-K149 VanDerWaalsContact O-N 3.16Å; G147-G150 PolarHBondContact O-N 3.22Å
148	E	60.8	Low	64.8	Low	143 Å²	143	107.3 Å²	107.3	67%	0.668	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.6	-9.1	179.6	-122.5	169.8	108.8	0	0	113.8	A144	A144-E148 PolarHBondContact O-N 3.3Å
149	K	53.6	Low	61.9	Low	199 Å²	199	114.5 Å²	114.5	87%	0.865	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.8	12.9	177.6	-70.1	-171.7	177.3	-179.5	0	115	G147	G147-K149 PolarHBondContact O-N 3.28Å; G147-K149 VanDerWaalsContact O-N 3.16Å
150	G	40.6	Very low	59	Low	57 Å²	57	113 Å²	113	59%	0.588	69%	0.688	S	S	*	*			trans	-157.1	74	-176.7	0	0	0	0	0	115.8	G147 G152	G147-G150 PolarHBondContact O-N 3.22Å; G150-G152 PolarHBondContact O-N 3.09Å; G150-G152 VanDerWaalsContact O-N 3.17Å
151	I	43.1	Very low	56.2	Low	186 Å²	186	115.9 Å²	115.9	95%	0.954	71%	0.708	S	S	*	*			trans	-79.8	90.8	160.9	-59.2	173.6	0	0	0	107.5
152	G	33.7	Very low	53.6	Low	78 Å²	78	117.6 Å²	117.6	80%	0.804	73%	0.729	S	S	*	*			trans	164.9	78.8	172.4	0	0	0	0	0	113.9	G150	G150-G152 PolarHBondContact O-N 3.09Å; G150-G152 VanDerWaalsContact O-N 3.17Å
153	G	31.6	Very low	51.1	Low	74 Å²	74	121.2 Å²	121.2	76%	0.763	75%	0.751	S	S	*	*			trans	161.8	90.4	166.6	0	0	0	0	0	116.6
154	A	37	Very low	48.2	Very low	93 Å²	93	125.3 Å²	125.3	77%	0.769	77%	0.77	S	S	*	*			trans	51.2	104	141.2	0	0	0	0	0	120.5
155	V	36.9	Very low	46.1	Very low	140 Å²	140	129.4 Å²	129.4	85%	0.848	78%	0.783	S	S	*	*			trans	-23.8	125.8	142.9	-75.4	0	0	0	0	115.7
156	T	39.8	Very low	43.8	Very low	146 Å²	146	131.2 Å²	131.2	90%	0.896	80%	0.799	S	S	*	*			trans	-156.5	136	142.4	32.8	0	0	0	0	110.5
157	A	35.8	Very low	41.9	Very low	91 Å²	91	132 Å²	132	75%	0.752	81%	0.805	S	S	*	*			trans	-71.5	157.6	-174	0	0	0	0	0	114
158	T	41.4	Very low	40.7	Very low	151 Å²	151	138.4 Å²	138.4	93%	0.926	82%	0.82	S	S	*	*			trans	-173.5	142	132.3	24	0	0	0	0	111.9
159	D	35.2	Very low	40	Very low	174 Å²	174	135.4 Å²	135.4	93%	0.93	82%	0.82	S	S	*	*			trans	-49.4	150.9	-177.9	-90.2	-46.4	0	0	0	117.2
160	G	36.8	Very low	39.8	Very low	75 Å²	75	132.8 Å²	132.8	77%	0.773	81%	0.809	S	S	*	*			trans	174.7	66.8	166.8	0	0	0	0	0	117.5
161	L	36.8	Very low	39.8	Very low	178 Å²	178	135.8 Å²	135.8	93%	0.932	82%	0.816	S	S	*	*			trans	-8.1	114.7	154.6	-152.1	81.7	0	0	0	118.3
162	S	40.3	Very low	39.8	Very low	112 Å²	112	133 Å²	133	78%	0.783	80%	0.803	S	S	*	*			trans	175.5	118.5	134.7	39.3	0	0	0	0	114
163	E	41.3	Very low	40.1	Very low	189 Å²	189	137.1 Å²	137.1	88%	0.883	80%	0.802	S	S	*	*			trans	51.6	91.7	149.8	-58.9	-166.7	127	0	0	120.8	L165	E163-L165 PolarHBondContact O-N 3.3Å
164	E	33.4	Very low	41	Very low	186 Å²	186	138.1 Å²	138.1	87%	0.869	79%	0.789	S	S	*	*			trans	-2.6	92.6	142	-158.5	176	164	0	0	117.2
165	L	49.5	Very low	41.4	Very low	148 Å²	148	137.5 Å²	137.5	78%	0.775	78%	0.777	S	S	*	*			trans	-112.1	112	149	-75.6	171	0	0	0	106.5	E163 E167	E163-L165 PolarHBondContact O-N 3.3Å; L165-E167 PolarHBondContact O-N 2.95Å
166	T	39.4	Very low	42	Very low	119 Å²	119	134.1 Å²	134.1	73%	0.73	76%	0.764	S	S	*	*			trans	-38.7	108.3	-178.5	49.6	0	0	0	0	112.3	E168	T166-E168 PolarHBondContact O-N 3.34Å; T166-E168 VanDerWaalsContact O-N 3.14Å
167	E	46.1	Very low	42.5	Very low	181 Å²	181	129.4 Å²	129.4	85%	0.846	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75	4.6	-172	-62	-172.6	143.5	0	0	113.9	L165	L165-E167 PolarHBondContact O-N 2.95Å
168	E	41.7	Very low	43.3	Very low	186 Å²	186	130.8 Å²	130.8	87%	0.869	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.3	-6	-165.8	-63.2	-117	148.5	0	0	114.9	T166	T166-E168 PolarHBondContact O-N 3.34Å; T166-E168 VanDerWaalsContact O-N 3.14Å
169	A	46.5	Very low	44.2	Very low	81 Å²	81	128.4 Å²	128.4	67%	0.669	72%	0.719	S	S	*	*	S	Bend	trans	-100.5	-12.6	-173.4	0	0	0	0	0	115.3
170	F	48.8	Very low	45.1	Very low	144 Å²	144	122.8 Å²	122.8	63%	0.632	69%	0.691	S	S	*	*	S	Bend	trans	-107.9	2.1	-164.8	-120.3	-77.6	0	0	0	116	Y137 N172	Y137-F170 HydrophobicContact CD2-CZ 4.33Å; Y137-F170 HydrophobicContact CE2-CD1 4.22Å; Y137-F170 AromaticContact CE2-CE1 3.38Å; Y137-F170 HydrophobicContact CE2-CE1 3.38Å; Y137-F170 AromaticContact CE2-CE2 3.98Å; Y137-F170 HydrophobicContact CE2-CE2 3.98Å; Y137-F170 AromaticContact CE2-CZ 3.23Å; Y137-F170 HydrophobicContact CE2-CZ 3.23Å; Y137-F170 AromaticContact CZ-CE1 3.66Å; Y137-F170 AromaticContact CZ-CZ 3.68Å; Y137-F170 WeakPolarHBondContact OH-CE1 3.46Å; Y137-F170 WeakPolarHBondContact OH-CZ 3.45Å; F170-N172 VanDerWaalsContact C-N 3.28Å; F170-N172 PolarHBondContact O-N 2.68Å
171	T	41	Very low	46	Very low	119 Å²	119	121 Å²	121	73%	0.73	66%	0.664	S	S	*	*			trans	-85.5	10	-175.3	-29.6	0	0	0	0	114.3	Q173	T171-Q173 PolarHBondContact O-N 2.97Å
172	N	42.8	Very low	46.6	Very low	128 Å²	128	115.4 Å²	115.4	68%	0.684	64%	0.636	S	S	*	*	S	Bend	trans	-85.1	104.4	174.6	-71.3	-42.2	0	0	0	109.7	F170 L174	F170-N172 VanDerWaalsContact C-N 3.28Å; F170-N172 PolarHBondContact O-N 2.68Å; N172-L174 PolarHBondContact O-N 2.91Å
173	Q	40.9	Very low	47.3	Very low	165 Å²	165	114.4 Å²	114.4	77%	0.771	64%	0.643	S	S	*	*			trans	-42.8	108.4	173.2	-73.7	173.9	2	0	0	111.1	T171	T171-Q173 PolarHBondContact O-N 2.97Å
174	L	48.7	Very low	47.5	Very low	94 Å²	94	113.2 Å²	113.2	49%	0.492	64%	0.637	S	S	.	*			trans	-97.8	120.9	167.8	-73.3	178.1	0	0	0	108.1	N172 A176 Y191	N172-L174 PolarHBondContact O-N 2.91Å; L174-A176 PolarHBondContact O-N 2.88Å; L174-Y191 HydrophobicContact CD2-CD1 3.65Å; L174-Y191 HydrophobicContact CD2-CE1 3.61Å
175	P	46.9	Very low	48	Very low	81 Å²	81	112.6 Å²	112.6	53%	0.526	63%	0.634	S	S	.	*			trans	-61.8	127.4	168.8	24	-28.3	0	0	0	108.7	G177 M189	P175-G177 PolarHBondContact O-N 3.01Å; P175-M189 HydrophobicContact CG-CE 4.18Å; P175-M189 HydrophobicContact CG-SD 4.13Å; P175-M189 WeakPolarHBondContact O-CE 3.41Å
176	A	49	Very low	47.3	Very low	69 Å²	69	114.1 Å²	114.1	57%	0.57	64%	0.638	S	S	*	*			trans	-72.8	96	177.7	0	0	0	0	0	109.7	F141 L174	F141-A176 HydrophobicContact CZ-CB 4.2Å; L174-A176 PolarHBondContact O-N 2.88Å
177	G	50.2	Low	47.4	Very low	46 Å²	46	114.7 Å²	114.7	47%	0.474	64%	0.636	S	S	.	*			trans	-77.2	116.6	169.2	0	0	0	0	0	110.7	P175	P175-G177 PolarHBondContact O-N 3.01Å
178	L	53.6	Low	47.3	Very low	120 Å²	120	111.8 Å²	111.8	63%	0.628	63%	0.631	S	S	*	*			trans	-84.4	121.6	170	-133.1	73.7	0	0	0	108.2	T112 T180	T112-L178 HydrophobicContact CG2-CB 4.44Å; T112-L178 HydrophobicContact CG2-CD1 4.28Å; T112-L178 HydrophobicContact CG2-CD2 3.31Å; T112-L178 HydrophobicContact CG2-CG 3.37Å; L178-T180 PolarHBondContact O-N 3.4Å
179	I	58.7	Low	47.3	Very low	102 Å²	102	106 Å²	106	52%	0.523	60%	0.604	S	S	.	*			trans	-82.7	115.9	177.5	-56	175.8	0	0	0	108.3
180	T	54.1	Low	47.3	Very low	56 Å²	56	107.1 Å²	107.1	34%	0.344	60%	0.602	S	S	.	*	B	Isolated β-bridge	trans	-86.7	134.4	170.6	-179.8	0	0	0	0	109.5	K111 L178	K111-T180 WeakPolarHBondContact O-CA 3.3Å; L178-T180 PolarHBondContact O-N 3.4Å
181	T	55.8	Low	46.8	Very low	36 Å²	36	108 Å²	108	22%	0.221	60%	0.603	C	S	.	*	S	Bend	trans	-88.3	-2.1	-176	56.9	0	0	0	0	114.6	H106 K111 I113	H106-T181 VanDerWaalsContact CE1-CB 3.43Å; H106-T181 WeakPolarHBondContact CE1-CB 3.21Å; H106-T181 PolarHBondContact CE1-OG1 3.26Å; K111-T181 WeakPolarHBondContact CA-OG1 3.15Å; K111-T181 PolarHBondContact O-N 3.28Å; K111-T181 PolarHBondContact O-OG1 2.97Å; I113-T181 HydrophobicContact CD1-CG2 4.4Å; I113-T181 HydrophobicContact CG1-CG2 4.21Å
182	D	50.7	Low	47	Very low	62 Å²	62	107.6 Å²	107.6	33%	0.332	60%	0.6	S	S	.	*	S	Bend	trans	-98.9	126.3	176.6	-68.9	-19.2	0	0	0	109.9	K111 Q184	K111-D182 WeakPolarHBondContact CD-OD2 3.22Å; K111-D182 WeakPolarHBondContact CE-OD2 3.16Å; K111-D182 IonicContact NZ-OD2 2.67Å; K111-D182 PolarHBondContact NZ-OD2 3.25Å; D182-Q184 PolarHBondContact O-N 3.45Å
183	G	54.2	Low	47	Very low	90 Å²	90	106.7 Å²	106.7	93%	0.928	60%	0.599	S	S	*	*	S	Bend	trans	-64.8	35.5	179.7	0	0	0	0	0	115.9
184	Q	46	Very low	47	Very low	165 Å²	165	103.5 Å²	103.5	77%	0.771	60%	0.595	S	S	*	*	S	Bend	trans	-127.6	108.5	173	-62.2	-118.7	-55.3	0	0	107.8	D182	D182-Q184 PolarHBondContact O-N 3.45Å
185	Q	43.2	Very low	46.5	Very low	172 Å²	172	109 Å²	109	80%	0.804	61%	0.611	S	S	*	*	S	Bend	trans	97.6	105.9	178	-63.3	167.3	12.1	0	0	116.8	N187	Q185-N187 PolarHBondContact O-N 2.95Å
186	Q	34.9	Very low	46.4	Very low	181 Å²	181	113.7 Å²	113.7	85%	0.846	63%	0.626	S	S	*	*			trans	-53.6	111.8	169.3	-69.7	159.4	8.4	0	0	111.2
187	N	41	Very low	46	Very low	131 Å²	131	119.3 Å²	119.3	70%	0.701	64%	0.64	S	S	*	*			trans	-123.5	73.5	157.6	-79.5	-43.8	0	0	0	108	Q185 M189	Q185-N187 PolarHBondContact O-N 2.95Å; N187-M189 PolarHBondContact O-N 3.3Å
188	V	45.5	Very low	45.9	Very low	120 Å²	120	123.6 Å²	123.6	73%	0.727	65%	0.651	S	S	*	*			trans	-69.7	117.5	169.1	178.3	0	0	0	0	107.7	V190	V188-V190 PolarHBondContact O-N 3.44Å
189	M	40.6	Very low	45.5	Very low	65 Å²	65	124 Å²	124	32%	0.32	66%	0.664	S	S	.	*			trans	-68.9	107.3	173.2	-102.2	-72.4	-68	0	0	109.7	P175 N187 Y191	P175-M189 HydrophobicContact CG-CE 4.18Å; P175-M189 HydrophobicContact CG-SD 4.13Å; P175-M189 WeakPolarHBondContact O-CE 3.41Å; N187-M189 PolarHBondContact O-N 3.3Å; M189-Y191 HydrophobicContact CE-CD1 3.86Å; M189-Y191 HydrophobicContact CE-CD2 4.43Å; M189-Y191 HydrophobicContact CE-CE1 3.37Å; M189-Y191 HydrophobicContact CE-CE2 4.01Å; M189-Y191 HydrophobicContact CE-CG 4.36Å; M189-Y191 VanDerWaalsContact CE-CZ 3.46Å
190	V	47.1	Very low	45.2	Very low	103 Å²	103	122.7 Å²	122.7	62%	0.624	68%	0.676	S	S	*	*			trans	-92.3	107	170.9	-168.5	0	0	0	0	108.3	V188 T192	V188-V190 PolarHBondContact O-N 3.44Å; V190-T192 HydrophobicContact CG1-CG2 3.76Å; V190-T192 PolarHBondContact O-N 3.46Å
191	Y	36.9	Very low	44.9	Very low	164 Å²	164	125.7 Å²	125.7	64%	0.643	69%	0.694	S	S	*	*			trans	-74.9	91.5	169.6	-65.3	-85.1	0	0	0	109.3	L174 M189	L174-Y191 HydrophobicContact CD2-CD1 3.65Å; L174-Y191 HydrophobicContact CD2-CE1 3.61Å; M189-Y191 HydrophobicContact CE-CD1 3.86Å; M189-Y191 HydrophobicContact CE-CD2 4.43Å; M189-Y191 HydrophobicContact CE-CE1 3.37Å; M189-Y191 HydrophobicContact CE-CE2 4.01Å; M189-Y191 HydrophobicContact CE-CG 4.36Å; M189-Y191 VanDerWaalsContact CE-CZ 3.46Å
192	T	46.5	Very low	44.3	Very low	110 Å²	110	132.6 Å²	132.6	68%	0.675	72%	0.723	S	S	*	*			trans	-94.4	109.6	164.3	66.5	0	0	0	0	109	V190 S194	V190-T192 HydrophobicContact CG1-CG2 3.76Å; V190-T192 PolarHBondContact O-N 3.46Å; T192-S194 PolarHBondContact O-N 3.21Å
193	T	43.2	Very low	44	Very low	108 Å²	108	138.8 Å²	138.8	66%	0.663	75%	0.75	S	S	*	*			trans	-66.7	108	161.6	31	0	0	0	0	108.9	Y195	T193-Y195 PolarHBondContact O-N 3.37Å
194	S	40.8	Very low	43.5	Very low	98 Å²	98	141 Å²	141	69%	0.685	74%	0.739	S	S	*	*			trans	-79.1	107.2	163.4	48.4	0	0	0	0	108.4	T192 Q196	T192-S194 PolarHBondContact O-N 3.21Å; S194-Q196 PolarHBondContact O-N 3.39Å
195	Y	38.6	Very low	43.2	Very low	209 Å²	209	142 Å²	142	82%	0.82	74%	0.744	S	S	*	*			trans	-72	111.5	166.4	-77.9	-90.7	0	0	0	108.2	T193 Q197	T193-Y195 PolarHBondContact O-N 3.37Å; Y195-Q197 PolarHBondContact O-N 3.29Å
196	Q	43.3	Very low	43.6	Very low	180 Å²	180	142.5 Å²	142.5	84%	0.841	74%	0.744	S	S	*	*			trans	-64.9	117.1	163.6	-80.3	-161.4	1.6	0	0	108.4	S194 I198	S194-Q196 PolarHBondContact O-N 3.39Å; Q196-I198 PolarHBondContact O-N 3.17Å; Q196-I198 VanDerWaalsContact O-N 3.09Å
197	Q	42	Very low	44.7	Very low	188 Å²	188	143.2 Å²	143.2	88%	0.879	77%	0.769	S	S	*	*			trans	-57.1	112.9	165.1	-89.8	-176.1	-0.1	0	0	108.6	Y195 S199	Y195-Q197 PolarHBondContact O-N 3.29Å; Q197-S199 PolarHBondContact O-N 3.16Å
198	I	48.4	Very low	44.9	Very low	136 Å²	136	143.8 Å²	143.8	70%	0.697	77%	0.772	S	S	*	*			trans	-67.4	117.7	165.4	-63.1	166.4	0	0	0	107	Q196 G200 V201	Q196-I198 PolarHBondContact O-N 3.17Å; Q196-I198 VanDerWaalsContact O-N 3.09Å; I198-G200 PolarHBondContact O-N 3.09Å; I198-V201 HydrophobicContact CB-CG2 4.46Å; I198-V201 HydrophobicContact CG2-CG2 4.42Å
199	S	45.2	Very low	44.9	Very low	128 Å²	128	145.1 Å²	145.1	90%	0.895	77%	0.774	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.4	101.5	168	-62.7	0	0	0	0	109.4	Q197	Q197-S199 PolarHBondContact O-N 3.16Å
200	G	52	Low	45.1	Very low	75 Å²	75	149.5 Å²	149.5	77%	0.773	80%	0.8	S	S	*	*	T	Hydrogen-bonded Turn	trans	142.3	-3.4	173.1	0	0	0	0	0	117.7	I198	I198-G200 PolarHBondContact O-N 3.09Å
201	V	48.1	Very low	45	Very low	119 Å²	119	152.2 Å²	152.2	72%	0.721	81%	0.81	S	S	*	*			trans	-98.9	106.7	-178.5	-168.5	0	0	0	0	111.1	I198 Q203	I198-V201 HydrophobicContact CB-CG2 4.46Å; I198-V201 HydrophobicContact CG2-CG2 4.42Å; V201-Q203 PolarHBondContact O-N 2.67Å
202	Q	42.6	Very low	45.5	Very low	181 Å²	181	151.5 Å²	151.5	85%	0.846	82%	0.82	S	S	*	*			trans	-68.2	114.1	178.3	-154	161.8	35.2	0	0	109.9	I204	Q202-I204 PolarHBondContact O-N 2.73Å
203	Q	43.7	Very low	45.4	Very low	191 Å²	191	154.3 Å²	154.3	89%	0.893	83%	0.83	S	S	*	*			trans	-65.8	118.7	172.7	-108.3	-178.5	-5.6	0	0	109.5	V201 Q205	V201-Q203 PolarHBondContact O-N 2.67Å; Q203-Q205 PolarHBondContact O-N 3.3Å
204	I	44.7	Very low	45.6	Very low	137 Å²	137	157.6 Å²	157.6	70%	0.703	84%	0.842	S	S	*	*			trans	-79.5	113.7	170.1	-53.4	173.9	0	0	0	107.2	Q202 F206	Q202-I204 PolarHBondContact O-N 2.73Å; I204-F206 HydrophobicContact CG2-CD2 4.35Å; I204-F206 HydrophobicContact CG2-CE2 3.89Å; I204-F206 HydrophobicContact CG2-CZ 3.99Å
205	Q	39.6	Very low	45.9	Very low	187 Å²	187	162.2 Å²	162.2	87%	0.874	85%	0.854	S	S	*	*			trans	-89.3	121.9	172.4	-155.6	177.3	10.5	0	0	107.8	Q203	Q203-Q205 PolarHBondContact O-N 3.3Å
206	F	50.6	Low	46.6	Very low	182 Å²	182	158.3 Å²	158.3	80%	0.798	86%	0.857	S	S	*	*			trans	-92.7	128.1	168.7	-72.5	-79.9	0	0	0	108.8	I204	I204-F206 HydrophobicContact CG2-CD2 4.35Å; I204-F206 HydrophobicContact CG2-CE2 3.89Å; I204-F206 HydrophobicContact CG2-CZ 3.99Å
207	S	58.5	Low	46.9	Very low	195 Å²	195	156.3 Å²	156.3	100%	1.364	86%	0.858	S	S	*	*			trans	-65.4	0	172.3	-58.5	0	0	0	0	113.2

Retrieved 207 of 207 residues in 29.2 ms (Link to these results)

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