A0A077ZLN8_TRITR Loading...

C2H2-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZLN8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 217 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.4	Very low	39.7	Very low	239 Å²	239	145.8 Å²	145.8	100%	1.177	82%	0.816	S	S	*	*				0	102.1	0	-69	-152.8	160.1	0	0	108.3	P3	M1-P3 WeakPolarHBondContact O-CD 3.47Å
2	S	36.2	Very low	40.1	Very low	130 Å²	130	142.8 Å²	142.8	91%	0.909	80%	0.804	S	S	*	*			trans	-94.9	121.9	177.7	-63	0	0	0	0	109.7
3	P	42.2	Very low	40	Very low	103 Å²	103	141.1 Å²	141.1	67%	0.669	80%	0.802	S	S	*	*			trans	-136.3	135.7	144.7	39.7	-26.2	0	0	0	107.4	M1	M1-P3 WeakPolarHBondContact O-CD 3.47Å
4	L	43.3	Very low	39.9	Very low	138 Å²	138	142.1 Å²	142.1	72%	0.723	80%	0.804	S	S	*	*				-178.8	107.8	76.3	-81	167.5	0	0	0	107	M6	L4-M6 HydrophobicContact CD2-CG 4.18Å; L4-M6 PolarHBondContact O-N 3.41Å
5	L	38.5	Very low	39.5	Very low	163 Å²	163	142.8 Å²	142.8	85%	0.853	81%	0.805	S	S	*	*			trans	-77.4	99.5	150.3	-84.2	165.5	0	0	0	106.1
6	M	50	Low	39.2	Very low	137 Å²	137	143.4 Å²	143.4	68%	0.675	80%	0.804	S	S	*	*			trans	-124	106.4	168.8	-84.9	-63.1	-148.4	0	0	110.1	L4 C8	L4-M6 HydrophobicContact CD2-CG 4.18Å; L4-M6 PolarHBondContact O-N 3.41Å; M6-C8 PolarHBondContact O-N 3.17Å
7	L	35.4	Very low	39	Very low	154 Å²	154	141.2 Å²	141.2	81%	0.806	80%	0.796	S	S	*	*			trans	-73.8	106.6	170.6	-73.3	157.5	0	0	0	108.6
8	C	45.3	Very low	38.7	Very low	108 Å²	108	139.9 Å²	139.9	73%	0.73	79%	0.791	S	S	*	*			trans	-114.1	91.9	165.5	-70.8	0	0	0	0	110	M6 S10	M6-C8 PolarHBondContact O-N 3.17Å; C8-S10 PolarHBondContact O-N 2.87Å
9	L	33.4	Very low	38.3	Very low	177 Å²	177	140.2 Å²	140.2	93%	0.927	79%	0.79	S	S	*	*			trans	-73	96.1	154	-74.4	158	0	0	0	107.2
10	S	39.9	Very low	38.1	Very low	84 Å²	84	139.1 Å²	139.1	59%	0.587	79%	0.787	S	S	*	*			trans	-147.9	78.4	169.6	58.6	0	0	0	0	110.3	C8	C8-S10 PolarHBondContact O-N 2.87Å
11	N	37.3	Very low	38.1	Very low	171 Å²	171	137.8 Å²	137.8	91%	0.914	78%	0.782	S	S	*	*			trans	-89.7	86.3	153.8	-80.3	-24.2	0	0	0	107.1
12	T	43.8	Very low	38.1	Very low	110 Å²	110	133.7 Å²	133.7	68%	0.675	77%	0.765	S	S	*	*			trans	-95.7	121.7	162.3	47.4	0	0	0	0	108	N14	T12-N14 PolarHBondContact O-N 3.26Å
13	P	38.8	Very low	38.3	Very low	120 Å²	120	137 Å²	137	78%	0.779	76%	0.763	S	S	*	*			trans	-78.3	110.5	167.9	29.7	-26.5	0	0	0	108.4	N15	P13-N15 PolarHBondContact O-N 3.44Å
14	N	38.9	Very low	37.8	Very low	155 Å²	155	136.7 Å²	136.7	83%	0.829	76%	0.764	S	S	*	*			trans	-70.4	122.9	164.4	-80.4	-5.2	0	0	0	108.6	T12	T12-N14 PolarHBondContact O-N 3.26Å
15	N	33.8	Very low	37.7	Very low	153 Å²	153	140 Å²	140	82%	0.818	77%	0.773	S	S	*	*			trans	-110.7	110.1	-179.1	-153.8	-28.6	0	0	0	107.2	P13	P13-N15 PolarHBondContact O-N 3.44Å
16	L	35.3	Very low	37.4	Very low	152 Å²	152	140.6 Å²	140.6	80%	0.796	77%	0.771	S	S	*	*			trans	-134.5	128.5	162.7	-99.7	81.6	0	0	0	102.7
17	T	35.1	Very low	36.9	Very low	107 Å²	107	138.6 Å²	138.6	66%	0.656	77%	0.768	S	S	*	*			cis	-170.8	146.7	31.7	4.7	0	0	0	0	109.2
18	T	33.9	Very low	37	Very low	117 Å²	117	137.8 Å²	137.8	72%	0.718	77%	0.77	S	S	*	*			trans	62.4	102.4	148.5	63.1	0	0	0	0	120.3
19	N	31.9	Very low	36.4	Very low	145 Å²	145	143.7 Å²	143.7	78%	0.775	78%	0.777	S	S	*	*				156	129.2	89.7	-104	-5.5	0	0	0	112.9
20	T	33.1	Very low	36.6	Very low	119 Å²	119	141.3 Å²	141.3	73%	0.73	77%	0.772	S	S	*	*			trans	75.8	116.9	149.1	29.3	0	0	0	0	122.5
21	T	38.5	Very low	36.3	Very low	111 Å²	111	141.9 Å²	141.9	68%	0.681	78%	0.782	S	S	*	*			trans	78.5	101.9	143.4	59.6	0	0	0	0	121.1
22	N	36.4	Very low	36.5	Very low	153 Å²	153	138.9 Å²	138.9	82%	0.818	77%	0.774	S	S	*	*				66.7	107.7	126.2	-55.1	-15.5	0	0	0	118.5
23	K	39	Very low	36.3	Very low	199 Å²	199	139.5 Å²	139.5	87%	0.865	78%	0.783	S	S	*	*				164.6	129.7	94	-157.1	168.6	-173.4	-179.9	0	110
24	S	32.2	Very low	36.2	Very low	98 Å²	98	137.2 Å²	137.2	69%	0.685	78%	0.782	S	S	*	*			trans	-41.9	146.2	176.6	-34.5	0	0	0	0	115.2
25	F	41.9	Very low	36.4	Very low	207 Å²	207	135.7 Å²	135.7	91%	0.908	78%	0.783	S	S	*	*				172.6	118.3	124	-92.8	-72.7	0	0	0	111.2
26	E	32.2	Very low	36.4	Very low	175 Å²	175	133.6 Å²	133.6	82%	0.818	78%	0.78	S	S	*	*			trans	-85.7	-173.9	167.5	-116.4	-158.1	132.9	0	0	110.1
27	P	38.3	Very low	36.8	Very low	95 Å²	95	135.7 Å²	135.7	62%	0.617	79%	0.786	S	S	*	*				-128.4	-166.6	-54.7	32.5	-12	0	0	0	109.9
28	T	37.2	Very low	37.3	Very low	137 Å²	137	134.7 Å²	134.7	84%	0.84	78%	0.783	S	S	*	*			trans	147.7	130.9	134.2	-50	0	0	0	0	112.2
29	R	32.6	Very low	37.5	Very low	233 Å²	233	134.3 Å²	134.3	88%	0.879	79%	0.785	S	S	*	*			trans	-117	147	-175.9	-158.1	-175.6	173.3	-143	-3.5	108
30	P	38.9	Very low	37.9	Very low	127 Å²	127	137.6 Å²	137.6	83%	0.825	79%	0.788	S	S	*	*			trans	-114.4	154.4	158.6	26.4	-10.9	0	0	0	112.9
31	A	32.9	Very low	38.1	Very low	95 Å²	95	136.8 Å²	136.8	79%	0.785	79%	0.793	S	S	*	*			trans	-116.5	147.3	-178.7	0	0	0	0	0	110.3
32	S	41.3	Very low	38.2	Very low	108 Å²	108	137.7 Å²	137.7	76%	0.755	80%	0.799	S	S	*	*			trans	174.3	110.8	158.7	44	0	0	0	0	109.7
33	S	40.7	Very low	38.2	Very low	123 Å²	123	135.8 Å²	135.8	86%	0.86	80%	0.798	S	S	*	*				56	129.6	107.5	64.7	0	0	0	0	114.6
34	G	36.1	Very low	38.4	Very low	73 Å²	73	132.9 Å²	132.9	75%	0.753	80%	0.796	S	S	*	*			cis	131	120	19.4	0	0	0	0	0	107.2
35	S	42.2	Very low	38.6	Very low	123 Å²	123	131.3 Å²	131.3	86%	0.86	80%	0.795	S	S	*	*			trans	178.2	129.5	157.8	50.4	0	0	0	0	112.3
36	S	33.7	Very low	38.6	Very low	108 Å²	108	128.4 Å²	128.4	76%	0.755	80%	0.795	S	S	*	*			trans	-100.6	145.2	179	-49.7	0	0	0	0	110.9
37	H	43.5	Very low	39	Very low	197 Å²	197	125 Å²	125	91%	0.912	79%	0.791	S	S	*	*			trans	-173.1	149.2	154.8	-76.2	-60.9	0	0	0	106.7
38	S	46.8	Very low	39.1	Very low	86 Å²	86	127.4 Å²	127.4	60%	0.601	80%	0.798	S	S	*	*			cis	-165.9	149.3	1.5	178.2	0	0	0	0	107.4
39	S	38.9	Very low	39.3	Very low	108 Å²	108	128.9 Å²	128.9	76%	0.755	80%	0.801	S	S	*	*			trans	-80.8	142	173	-6.3	0	0	0	0	111.3
40	Y	39.9	Very low	39.7	Very low	215 Å²	215	121 Å²	121	84%	0.843	79%	0.792	S	S	*	*			trans	-140.8	121.6	156.4	-74.9	-79.7	0	0	0	109.2
41	A	36.9	Very low	40.1	Very low	102 Å²	102	120.9 Å²	120.9	84%	0.843	79%	0.794	S	S	*	*			trans	-114.5	134.7	168	0	0	0	0	0	107.4
42	T	40.5	Very low	40.2	Very low	129 Å²	129	123 Å²	123	79%	0.791	79%	0.792	S	S	*	*			trans	-130.4	119.1	170.8	-49.8	0	0	0	0	108.6	V44	T42-V44 HydrophobicContact CG2-CG2 4.37Å
43	S	37	Very low	40.1	Very low	114 Å²	114	124.9 Å²	124.9	80%	0.797	79%	0.793	S	S	*	*			trans	-89.6	132.3	170	49.6	0	0	0	0	110.1
44	V	42.7	Very low	39.9	Very low	137 Å²	137	126.3 Å²	126.3	83%	0.83	79%	0.791	S	S	*	*			trans	-141.3	126	160.6	-164.4	0	0	0	0	107.7	T42	T42-V44 HydrophobicContact CG2-CG2 4.37Å
45	G	37.3	Very low	39.8	Very low	65 Å²	65	129 Å²	129	67%	0.67	79%	0.788	S	S	*	*			trans	-103.3	160.2	171.8	0	0	0	0	0	111.3
46	T	40.7	Very low	39.5	Very low	147 Å²	147	129.4 Å²	129.4	90%	0.902	79%	0.788	S	S	*	*			trans	-160	148.4	154.3	36	0	0	0	0	109.7
47	S	40.8	Very low	39.5	Very low	104 Å²	104	128 Å²	128	73%	0.727	78%	0.783	S	S	*	*			trans	-92.5	163.2	-159.3	-35.8	0	0	0	0	114.8
48	N	41.3	Very low	39.1	Very low	145 Å²	145	123.2 Å²	123.2	78%	0.775	77%	0.772	S	S	*	*			trans	61.3	118.2	149.4	-58.7	-5.2	0	0	0	119.8
49	D	41.5	Very low	38.7	Very low	167 Å²	167	124.4 Å²	124.4	89%	0.893	78%	0.78	S	S	*	*				-175	150.7	98.8	-99.2	-27.6	0	0	0	112.2
50	G	39.4	Very low	38.7	Very low	68 Å²	68	127.4 Å²	127.4	70%	0.701	78%	0.782	S	S	*	*			trans	-75.3	152.2	-167.8	0	0	0	0	0	115.7
51	S	47.5	Very low	39	Very low	124 Å²	124	122.4 Å²	122.4	87%	0.867	78%	0.778	S	S	*	*			trans	-179.4	132.5	131	33.1	0	0	0	0	109.8
52	N	35.8	Very low	39.4	Very low	140 Å²	140	120.6 Å²	120.6	75%	0.749	76%	0.763	S	S	*	*			trans	-46.5	141.4	170.8	-165.9	-21.4	0	0	0	111.5
53	L	39	Very low	39.6	Very low	147 Å²	147	123.8 Å²	123.8	77%	0.77	76%	0.761	S	S	*	*			trans	159.4	106.5	139.6	-81.3	157.2	0	0	0	111
54	N	36	Very low	40.2	Very low	154 Å²	154	126.5 Å²	126.5	82%	0.824	76%	0.761	S	S	*	*			trans	27.3	97.3	144.1	-63.2	-30	0	0	0	117.9
55	N	35.4	Very low	40.8	Very low	129 Å²	129	126.8 Å²	126.8	69%	0.69	76%	0.757	S	S	*	*			trans	-144.1	120.9	161.3	-149.9	-4.1	0	0	0	110.2	A57	N55-A57 PolarHBondContact O-N 3.27Å
56	P	34.8	Very low	42	Very low	132 Å²	132	127.1 Å²	127.1	86%	0.857	74%	0.744	S	S	*	*	S	Bend	trans	-76	70.5	174	33.2	-32.6	0	0	0	108.8
57	A	34.5	Very low	43.2	Very low	78 Å²	78	120.4 Å²	120.4	65%	0.645	70%	0.703	S	S	*	*			trans	-137.6	22.2	179.8	0	0	0	0	0	112	N55 S59	N55-A57 PolarHBondContact O-N 3.27Å; A57-S59 PolarHBondContact O-N 2.9Å
58	S	34.2	Very low	44.3	Very low	96 Å²	96	118.9 Å²	118.9	67%	0.671	69%	0.692	S	S	*	*			trans	-82.3	109.8	175.7	51.6	0	0	0	0	111.6	Q60	S58-Q60 PolarHBondContact O-N 3.41Å
59	S	38.4	Very low	45.6	Very low	111 Å²	111	117.9 Å²	117.9	78%	0.776	68%	0.681	S	S	*	*			trans	55.8	47.7	134.9	62.6	0	0	0	0	118.7	A57 S61	A57-S59 PolarHBondContact O-N 2.9Å; S59-S61 PolarHBondContact O-N 3.39Å
60	Q	39.8	Very low	47.2	Very low	172 Å²	172	114.8 Å²	114.8	80%	0.804	66%	0.657	S	S	*	*			trans	-80.1	79.7	153.4	-69.1	-170.8	22.8	0	0	108.8	S58 A62	S58-Q60 PolarHBondContact O-N 3.41Å; Q60-A62 VanDerWaalsContact C-N 3.31Å; Q60-A62 PolarHBondContact O-N 2.89Å
61	S	44.7	Very low	49.3	Very low	109 Å²	109	115 Å²	115	76%	0.762	65%	0.647	S	S	*	*			trans	-45.9	107.9	152	-175.7	0	0	0	0	105.5	S59 R63	S59-S61 PolarHBondContact O-N 3.39Å; S61-R63 PolarHBondContact O-N 2.8Å
62	A	45.8	Very low	51.3	Low	64 Å²	64	112.9 Å²	112.9	53%	0.529	62%	0.62	S	S	.	*			trans	-47.1	111.6	-171.6	0	0	0	0	0	107.2	Q60 H64 F69	Q60-A62 VanDerWaalsContact C-N 3.31Å; Q60-A62 PolarHBondContact O-N 2.89Å; A62-H64 PolarHBondContact O-N 3.48Å; A62-F69 HydrophobicContact CB-CE2 4.46Å; A62-F69 HydrophobicContact CB-CZ 4.42Å
63	R	45.4	Very low	54	Low	197 Å²	197	106.2 Å²	106.2	74%	0.743	59%	0.585	S	S	*	*			trans	-50.5	116.8	-172.9	-73.6	177.5	165.1	156.2	-4.9	106.6	S61 N65 D66	S61-R63 PolarHBondContact O-N 2.8Å; R63-N65 PolarHBondContact O-N 3.24Å; R63-D66 PolarHBondContact O-N 3.05Å
64	H	50.4	Low	56.6	Low	170 Å²	170	100.9 Å²	100.9	79%	0.787	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.8	2.8	-176.2	-138.4	-66.3	0	0	0	113.4	A62	A62-H64 PolarHBondContact O-N 3.48Å
65	N	54.4	Low	59.5	Low	143 Å²	143	93.6 Å²	93.6	77%	0.765	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.4	5.1	-178.7	-63.6	-17.9	0	0	0	113.7	R63 V67	R63-N65 PolarHBondContact O-N 3.24Å; N65-V67 PolarHBondContact O-N 2.53Å
66	D	62.5	Low	62.4	Low	73 Å²	73	90 Å²	90	39%	0.39	50%	0.499	S	S	.	.			trans	-67.8	130.3	167.4	178.9	-6.2	0	0	0	109	R63 S68 F69	R63-D66 PolarHBondContact O-N 3.05Å; D66-S68 PolarHBondContact O-N 2.97Å; D66-S68 WeakPolarHBondContact OD1-CB 3.46Å; D66-S68 PolarHBondContact OD1-N 2.93Å; D66-S68 PolarHBondContact OD1-OG 3.04Å; D66-S68 PolarHBondContact OD2-OG 2.74Å; D66-F69 HydrophobicContact CB-CD2 3.82Å; D66-F69 HydrophobicContact CB-CE2 4.08Å; D66-F69 WeakPolarHBondContact O-CA 3.05Å; D66-F69 WeakPolarHBondContact O-CB 3.49Å; D66-F69 PolarHBondContact O-N 2.87Å
67	V	65	Low	65.3	Low	6 Å²	6	87.8 Å²	87.8	4%	0.036	48%	0.479	C	S	.	.	G	3₁₀ helix	trans	-58.5	-22.6	-178.7	175.5	0	0	0	0	111.5	N65 F69 Y70 L150 T153 S154 I157	N65-V67 PolarHBondContact O-N 2.53Å; V67-F69 PolarHBondContact O-N 3.12Å; V67-Y70 WeakPolarHBondContact O-CB 3.32Å; V67-Y70 PolarHBondContact O-N 3.26Å; V67-L150 HydrophobicContact CG1-CD2 4.26Å; V67-L150 WeakPolarHBondContact CG1-O 3.4Å; V67-T153 HydrophobicContact CG1-CG2 4.21Å; V67-S154 VanDerWaalsContact CG2-CA 3.4Å; V67-S154 VanDerWaalsContact CG2-CB 3.49Å; V67-I157 HydrophobicContact CG2-CD1 4.19Å
68	S	64.3	Low	68.2	Low	71 Å²	71	86 Å²	86	50%	0.497	46%	0.461	S	S	.	.	G	3₁₀ helix	trans	-55.7	-27.9	168.5	-54.9	0	0	0	0	113.3	D66	D66-S68 PolarHBondContact O-N 2.97Å; D66-S68 WeakPolarHBondContact OD1-CB 3.46Å; D66-S68 PolarHBondContact OD1-N 2.93Å; D66-S68 PolarHBondContact OD1-OG 3.04Å; D66-S68 PolarHBondContact OD2-OG 2.74Å
69	F	69.9	Low	71	Confident	124 Å²	124	85.7 Å²	85.7	54%	0.544	45%	0.452	S	S	.	.	G	3₁₀ helix	trans	-98.7	-6.9	176.5	-59.8	-76.9	0	0	0	113.9	A62 D66 V67	A62-F69 HydrophobicContact CB-CE2 4.46Å; A62-F69 HydrophobicContact CB-CZ 4.42Å; D66-F69 HydrophobicContact CB-CD2 3.82Å; D66-F69 HydrophobicContact CB-CE2 4.08Å; D66-F69 WeakPolarHBondContact O-CA 3.05Å; D66-F69 WeakPolarHBondContact O-CB 3.49Å; D66-F69 PolarHBondContact O-N 2.87Å; V67-F69 PolarHBondContact O-N 3.12Å
70	Y	74.1	Confident	73.7	Confident	102 Å²	102	86.1 Å²	86.1	40%	0.4	44%	0.442	S	S	.	.			trans	-70.5	129.5	178.7	-164.5	-98.3	0	0	0	109.6	V67 Y72 W81 S84 T153 I157	V67-Y70 WeakPolarHBondContact O-CB 3.32Å; V67-Y70 PolarHBondContact O-N 3.26Å; Y70-Y72 VanDerWaalsContact C-N 3.27Å; Y70-Y72 WeakPolarHBondContact CD1-O 3.26Å; Y70-Y72 WeakPolarHBondContact CE1-O 3.28Å; Y70-Y72 PolarHBondContact O-N 3.06Å; Y70-W81 HydrophobicContact CE1-CZ3 4.2Å; Y70-S84 VanDerWaalsContact O-CB 3.24Å; Y70-S84 WeakPolarHBondContact O-CB 2.99Å; Y70-T153 HydrophobicContact CD1-CG2 4.41Å; Y70-I157 HydrophobicContact CD1-CD1 3.97Å; Y70-I157 HydrophobicContact CD2-CD1 3.86Å; Y70-I157 HydrophobicContact CE1-CD1 4.28Å; Y70-I157 HydrophobicContact CE2-CD1 4.16Å; Y70-I157 HydrophobicContact CG-CD1 3.77Å
71	P	83.8	Confident	76.2	Confident	74 Å²	74	84.1 Å²	84.1	48%	0.481	43%	0.427	S	S	.	.	S	Bend	trans	-66.9	-27.7	-167.9	21.9	-31.7	0	0	0	113.4	C83 S84	P71-C83 WeakPolarHBondContact O-CA 3.41Å; P71-S84 PolarHBondContact O-N 2.87Å
72	Y	89.5	Confident	78.6	Confident	79 Å²	79	79.9 Å²	79.9	31%	0.31	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	126.1	-174.3	-58.4	-82	0	0	0	112.7	Y70 W81 I82	Y70-Y72 VanDerWaalsContact C-N 3.27Å; Y70-Y72 WeakPolarHBondContact CD1-O 3.26Å; Y70-Y72 WeakPolarHBondContact CE1-O 3.28Å; Y70-Y72 PolarHBondContact O-N 3.06Å; Y72-W81 WeakPolarHBondContact O-CZ3 3.22Å; Y72-I82 CarbonylContact C-O 3.42Å; Y72-I82 WeakPolarHBondContact CA-O 3.4Å
73	I	92.1	Very high	80.7	Confident	0 Å²	0	79 Å²	79	0%	0	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	153.8	178.9	67.7	166.7	0	0	0	110	W81 I82 R87 L150 T153	I73-W81 CarbonylContact O-C 3.5Å; I73-W81 WeakPolarHBondContact O-CA 3.48Å; I73-I82 HydrophobicContact CD1-CD1 4.37Å; I73-I82 HydrophobicContact CD1-CG1 4.41Å; I73-I82 HydrophobicContact CG1-CD1 4.12Å; I73-I82 HydrophobicContact CG1-CG1 3.63Å; I73-I82 PolarHBondContact N-O 2.76Å; I73-I82 WeakPolarHBondContact O-CG1 3.41Å; I73-I82 PolarHBondContact O-N 3.2Å; I73-R87 HydrophobicContact CD1-CB 3.45Å; I73-R87 VanDerWaalsContact CD1-CB 3.45Å; I73-R87 HydrophobicContact CD1-CG 4.13Å; I73-R87 HydrophobicContact CG1-CB 4.31Å; I73-L150 HydrophobicContact CD1-CD2 4.25Å; I73-L150 HydrophobicContact CD1-CG 4.25Å; I73-L150 HydrophobicContact CG2-CD2 3.63Å; I73-T153 WeakPolarHBondContact CA-OG1 3.2Å; I73-T153 HydrophobicContact CB-CG2 4.38Å; I73-T153 WeakPolarHBondContact CB-OG1 3.4Å; I73-T153 HydrophobicContact CG2-CG2 4.4Å
74	Q	93.9	Very high	82.8	Confident	35 Å²	35	70.1 Å²	70.1	16%	0.164	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	124.6	173.8	-159.6	-176.6	18.5	0	0	110.2	D79 W81 S149 T153	Q74-D79 WeakPolarHBondContact CG-O 3.42Å; Q74-D79 PolarHBondContact NE2-O 3.22Å; Q74-W81 HydrophobicContact CB-CD2 4.45Å; Q74-W81 HydrophobicContact CB-CE3 4.41Å; Q74-W81 HydrophobicContact CB-CZ3 4.46Å; Q74-S149 WeakPolarHBondContact O-CA 3.39Å; Q74-S149 WeakPolarHBondContact O-CB 3.28Å; Q74-T153 PolarHBondContact N-OG1 3.47Å
75	C	96.1	Very high	84.7	Confident	0 Å²	0	72.3 Å²	72.3	0%	0	35%	0.354	C	S	.	.			trans	-64	143.3	175.1	-174.5	0	0	0	0	111.1	M77 C78 D79 Q80 I82 H90 K152	C75-M77 PolarHBondContact SG-N 3.45Å; C75-C78 VanDerWaalsContact CB-SG 3.59Å; C75-C78 VanDerWaalsContact SG-SG 3.68Å; C75-D79 VanDerWaalsContact O-CA 3.28Å; C75-D79 WeakPolarHBondContact O-CA 2.9Å; C75-D79 PolarHBondContact O-N 3.41Å; C75-Q80 PolarHBondContact N-O 2.78Å; C75-I82 HydrophobicContact CB-CD1 4.46Å; C75-H90 WeakPolarHBondContact CB-NE2 3.24Å; C75-H90 VanDerWaalsContact SG-CD2 3.58Å; C75-H90 PolarHBondContact SG-NE2 2.85Å; C75-K152 PolarHBondContact O-NZ 3.42Å; C75-K152 VanDerWaalsContact O-NZ 3.12Å
76	V	95.9	Very high	86.4	Confident	54 Å²	54	69.8 Å²	69.8	33%	0.327	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-20.7	173.4	72	0	0	0	0	113.1	L145 Q148 S149	V76-L145 HydrophobicContact CG1-CD2 3.8Å; V76-Q148 HydrophobicContact CG1-CB 4.36Å; V76-S149 PolarHBondContact N-OG 3.46Å; V76-S149 VanDerWaalsContact N-OG 3.13Å
77	M	96.5	Very high	87.8	Confident	86 Å²	86	68.7 Å²	68.7	42%	0.424	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-28.3	-176.2	-68.4	-167.2	61.5	0	0	114.5	C75 H94 L145	C75-M77 PolarHBondContact SG-N 3.45Å; M77-H94 HydrophobicContact CE-CB 3.54Å; M77-H94 HydrophobicContact SD-CB 3.47Å; M77-H94 WeakPolarHBondContact SD-CB 3.42Å; M77-L145 HydrophobicContact CG-CD2 4.36Å; M77-L145 HydrophobicContact SD-CD1 3.81Å
78	C	96.2	Very high	89.2	Confident	40 Å²	40	69.4 Å²	69.4	27%	0.27	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136.2	4	-176.1	64.2	0	0	0	0	114.2	C75 Q80 H90 H94	C75-C78 VanDerWaalsContact CB-SG 3.59Å; C75-C78 VanDerWaalsContact SG-SG 3.68Å; C78-Q80 HydrophobicContact CB-CG 4.29Å; C78-Q80 PolarHBondContact O-N 3.36Å; C78-H90 PolarHBondContact SG-NE2 3.06Å; C78-H90 VanDerWaalsContact SG-NE2 3.37Å; C78-H94 PolarHBondContact SG-NE2 2.79Å
79	D	93.2	Very high	90.6	Very high	89 Å²	89	68.1 Å²	68.1	48%	0.476	32%	0.323	S	S	.	.			trans	57.4	8.2	179.4	-59.5	-22.5	0	0	0	116.2	Q74 C75 K152	Q74-D79 WeakPolarHBondContact CG-O 3.42Å; Q74-D79 PolarHBondContact NE2-O 3.22Å; C75-D79 VanDerWaalsContact O-CA 3.28Å; C75-D79 WeakPolarHBondContact O-CA 2.9Å; C75-D79 PolarHBondContact O-N 3.41Å; D79-K152 IonicContact OD1-NZ 2.53Å; D79-K152 PolarHBondContact OD1-NZ 2.84Å
80	Q	93.9	Very high	91.8	Very high	121 Å²	121	64.2 Å²	64.2	57%	0.565	31%	0.306	S	S	*	.			trans	-75	144.1	177.5	-63.9	-56.4	-52.9	0	0	111.9	C75 C78 I82	C75-Q80 PolarHBondContact N-O 2.78Å; C78-Q80 HydrophobicContact CB-CG 4.29Å; C78-Q80 PolarHBondContact O-N 3.36Å; Q80-I82 HydrophobicContact CB-CG2 4.48Å
81	W	93.4	Very high	92.8	Very high	130 Å²	130	59.4 Å²	59.4	49%	0.492	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	121.3	171	-67.8	91.9	0	0	0	110	Y70 Y72 I73 Q74 T153	Y70-W81 HydrophobicContact CE1-CZ3 4.2Å; Y72-W81 WeakPolarHBondContact O-CZ3 3.22Å; I73-W81 CarbonylContact O-C 3.5Å; I73-W81 WeakPolarHBondContact O-CA 3.48Å; Q74-W81 HydrophobicContact CB-CD2 4.45Å; Q74-W81 HydrophobicContact CB-CE3 4.41Å; Q74-W81 HydrophobicContact CB-CZ3 4.46Å; W81-T153 HydrophobicContact CZ3-CG2 4.07Å
82	I	93.7	Very high	93.4	Very high	20 Å²	20	57.2 Å²	57.2	10%	0.103	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	150	-176.3	63.4	177.6	0	0	0	110.1	Y72 I73 C75 Q80 S84 R87 H90	Y72-I82 CarbonylContact C-O 3.42Å; Y72-I82 WeakPolarHBondContact CA-O 3.4Å; I73-I82 HydrophobicContact CD1-CD1 4.37Å; I73-I82 HydrophobicContact CD1-CG1 4.41Å; I73-I82 HydrophobicContact CG1-CD1 4.12Å; I73-I82 HydrophobicContact CG1-CG1 3.63Å; I73-I82 PolarHBondContact N-O 2.76Å; I73-I82 WeakPolarHBondContact O-CG1 3.41Å; I73-I82 PolarHBondContact O-N 3.2Å; C75-I82 HydrophobicContact CB-CD1 4.46Å; Q80-I82 HydrophobicContact CB-CG2 4.48Å; I82-S84 PolarHBondContact O-N 2.84Å; I82-R87 HydrophobicContact CD1-CB 4.01Å; I82-H90 HydrophobicContact CD1-CB 3.71Å; I82-H90 VanDerWaalsContact CD1-CD2 3.43Å; I82-H90 WeakPolarHBondContact CD1-CD2 3.4Å
83	C	91.6	Very high	93.7	Very high	46 Å²	46	59.4 Å²	59.4	31%	0.311	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	127.5	173	-179.3	0	0	0	0	110.1	P71 R85 N86 R87	P71-C83 WeakPolarHBondContact O-CA 3.41Å; C83-R85 PolarHBondContact O-N 2.93Å; C83-R85 VanDerWaalsContact O-N 3.09Å; C83-N86 HydrophobicContact CB-CB 4.34Å; C83-N86 WeakPolarHBondContact O-CA 3.33Å; C83-N86 PolarHBondContact O-N 2.86Å; C83-R87 PolarHBondContact O-N 3.3Å
84	S	89.5	Confident	93.9	Very high	9 Å²	9	61.5 Å²	61.5	6%	0.063	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-53.1	-36.3	-179.5	178.3	0	0	0	0	112	Y70 P71 I82 N86 R87	Y70-S84 VanDerWaalsContact O-CB 3.24Å; Y70-S84 WeakPolarHBondContact O-CB 2.99Å; P71-S84 PolarHBondContact O-N 2.87Å; I82-S84 PolarHBondContact O-N 2.84Å; S84-N86 VanDerWaalsContact C-N 3.27Å; S84-N86 PolarHBondContact O-N 3.37Å; S84-R87 WeakPolarHBondContact O-CD 3.41Å; S84-R87 VanDerWaalsContact O-CG 3.23Å; S84-R87 WeakPolarHBondContact O-CG 3.46Å; S84-R87 PolarHBondContact O-N 3.48Å; S84-R87 PolarHBondContact O-NH1 3.17Å
85	R	88.9	Confident	94	Very high	217 Å²	217	62.2 Å²	62.2	82%	0.819	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-67.6	-24.8	179	-152.7	178.1	-77.9	132.5	-7.1	113.2	C83	C83-R85 PolarHBondContact O-N 2.93Å; C83-R85 VanDerWaalsContact O-N 3.09Å
86	N	91.2	Very high	94	Very high	89 Å²	89	69 Å²	69	48%	0.476	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-101.9	3.4	-178.3	-69.2	-9.8	0	0	0	113.9	C83 S84 F88 T89 H90	C83-N86 HydrophobicContact CB-CB 4.34Å; C83-N86 WeakPolarHBondContact O-CA 3.33Å; C83-N86 PolarHBondContact O-N 2.86Å; S84-N86 VanDerWaalsContact C-N 3.27Å; S84-N86 PolarHBondContact O-N 3.37Å; N86-F88 VanDerWaalsContact C-N 3.29Å; N86-F88 PolarHBondContact O-N 3.21Å; N86-T89 PolarHBondContact O-N 2.81Å; N86-H90 PolarHBondContact O-N 3.23Å
87	R	92.1	Very high	94	Very high	50 Å²	50	67.1 Å²	67.1	19%	0.189	32%	0.315	C	S	.	.	H	α-helix	trans	-54.9	-39.1	-174.6	69.7	-173.6	-178.1	-88.3	10.4	114.9	I73 I82 C83 S84 H90 I91 A146	I73-R87 HydrophobicContact CD1-CB 3.45Å; I73-R87 VanDerWaalsContact CD1-CB 3.45Å; I73-R87 HydrophobicContact CD1-CG 4.13Å; I73-R87 HydrophobicContact CG1-CB 4.31Å; I82-R87 HydrophobicContact CD1-CB 4.01Å; C83-R87 PolarHBondContact O-N 3.3Å; S84-R87 WeakPolarHBondContact O-CD 3.41Å; S84-R87 VanDerWaalsContact O-CG 3.23Å; S84-R87 WeakPolarHBondContact O-CG 3.46Å; S84-R87 PolarHBondContact O-N 3.48Å; S84-R87 PolarHBondContact O-NH1 3.17Å; R87-H90 PolarHBondContact O-N 3.35Å; R87-I91 WeakPolarHBondContact O-CG1 3.43Å; R87-I91 PolarHBondContact O-N 2.83Å; R87-A146 HydrophobicContact CG-CB 4.06Å
88	F	93.5	Very high	94	Very high	22 Å²	22	68.3 Å²	68.3	10%	0.096	32%	0.315	C	S	.	.	H	α-helix	trans	-65.1	-52.4	179.5	-64.6	-76.8	0	0	0	110.5	N86 H90 I91 E92 V142 W143 A146	N86-F88 VanDerWaalsContact C-N 3.29Å; N86-F88 PolarHBondContact O-N 3.21Å; F88-H90 PolarHBondContact O-N 3.37Å; F88-I91 PolarHBondContact O-N 2.89Å; F88-E92 VanDerWaalsContact O-CG 3.31Å; F88-E92 WeakPolarHBondContact O-CG 3.33Å; F88-E92 PolarHBondContact O-N 3.06Å; F88-V142 HydrophobicContact CB-CG1 4.44Å; F88-V142 HydrophobicContact CD1-CG1 4.21Å; F88-W143 HydrophobicContact CE1-CB 4.48Å; F88-W143 AromaticContact CE1-CD1 3.34Å; F88-W143 HydrophobicContact CE1-CG 4.08Å; F88-W143 AromaticContact CE1-NE1 3.9Å; F88-W143 AromaticContact CZ-CD1 3.91Å; F88-A146 HydrophobicContact CD1-CB 3.72Å; F88-A146 HydrophobicContact CE1-CB 3.61Å; F88-A146 HydrophobicContact CG-CB 4.44Å; F88-A146 HydrophobicContact CZ-CB 4.27Å
89	T	93.3	Very high	93.9	Very high	44 Å²	44	66.6 Å²	66.6	27%	0.27	30%	0.303	S	S	.	.	H	α-helix	trans	-60.3	-31.6	177.1	-55.6	0	0	0	0	113.1	N86 E92 F93	N86-T89 PolarHBondContact O-N 2.81Å; T89-E92 WeakPolarHBondContact CA-OE2 3.49Å; T89-F93 PolarHBondContact O-N 3.43Å
90	H	95.1	Very high	94	Very high	42 Å²	42	64.3 Å²	64.3	19%	0.194	29%	0.288	C	S	.	.	H	α-helix	trans	-66.2	-46.2	172.9	175.7	83.8	0	0	0	111.9	C75 C78 I82 N86 R87 F88 E92 F93 H94	C75-H90 WeakPolarHBondContact CB-NE2 3.24Å; C75-H90 VanDerWaalsContact SG-CD2 3.58Å; C75-H90 PolarHBondContact SG-NE2 2.85Å; C78-H90 PolarHBondContact SG-NE2 3.06Å; C78-H90 VanDerWaalsContact SG-NE2 3.37Å; I82-H90 HydrophobicContact CD1-CB 3.71Å; I82-H90 VanDerWaalsContact CD1-CD2 3.43Å; I82-H90 WeakPolarHBondContact CD1-CD2 3.4Å; N86-H90 PolarHBondContact O-N 3.23Å; R87-H90 PolarHBondContact O-N 3.35Å; F88-H90 PolarHBondContact O-N 3.37Å; H90-E92 VanDerWaalsContact C-N 3.34Å; H90-E92 PolarHBondContact O-N 3.28Å; H90-F93 VanDerWaalsContact O-CB 3.31Å; H90-F93 WeakPolarHBondContact O-CB 3.37Å; H90-F93 PolarHBondContact O-N 3.02Å; H90-H94 AromaticContact CD2-CD2 3.97Å; H90-H94 AromaticContact CE1-NE2 3.77Å; H90-H94 AromaticContact NE2-CD2 3.64Å; H90-H94 AromaticContact NE2-NE2 3.29Å; H90-H94 PolarHBondContact NE2-NE2 2.86Å; H90-H94 PolarHBondContact O-N 3.22Å
91	I	96.3	Very high	94.1	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-66	-36.6	176.1	-63.5	-58.8	0	0	0	111.7	R87 F88 F93 H94 L95 V142 L145 A146	R87-I91 WeakPolarHBondContact O-CG1 3.43Å; R87-I91 PolarHBondContact O-N 2.83Å; F88-I91 PolarHBondContact O-N 2.89Å; I91-F93 PolarHBondContact O-N 2.93Å; I91-H94 WeakPolarHBondContact O-CB 3.48Å; I91-H94 PolarHBondContact O-N 3.35Å; I91-L95 HydrophobicContact CG2-CD1 4.21Å; I91-L95 HydrophobicContact CG2-CG 4.44Å; I91-L95 PolarHBondContact O-N 2.87Å; I91-L95 VanDerWaalsContact O-N 3.12Å; I91-V142 HydrophobicContact CB-CG1 4.26Å; I91-V142 HydrophobicContact CG2-CB 4.24Å; I91-V142 HydrophobicContact CG2-CG1 4.12Å; I91-V142 HydrophobicContact CG2-CG2 4.31Å; I91-L145 HydrophobicContact CD1-CB 4.06Å; I91-L145 HydrophobicContact CG1-CB 4.23Å; I91-L145 HydrophobicContact CG2-CB 3.77Å; I91-L145 HydrophobicContact CG2-CD1 3.84Å; I91-L145 HydrophobicContact CG2-CG 4.48Å; I91-A146 HydrophobicContact CG1-CB 4.32Å
92	E	96.2	Very high	94.2	Very high	29 Å²	29	56.4 Å²	56.4	14%	0.136	26%	0.256	C	S	.	.	H	α-helix	trans	-56.9	-33.9	173.5	-67.1	169.3	178.8	0	0	112.2	F88 T89 H90 L95 Q96 Y97 R110 V142	F88-E92 VanDerWaalsContact O-CG 3.31Å; F88-E92 WeakPolarHBondContact O-CG 3.33Å; F88-E92 PolarHBondContact O-N 3.06Å; T89-E92 WeakPolarHBondContact CA-OE2 3.49Å; H90-E92 VanDerWaalsContact C-N 3.34Å; H90-E92 PolarHBondContact O-N 3.28Å; E92-L95 PolarHBondContact O-N 3.09Å; E92-Q96 PolarHBondContact O-N 3.38Å; E92-Y97 HydrophobicContact CG-CD1 4.12Å; E92-Y97 PolarHBondContact O-N 2.9Å; E92-R110 HydrophobicContact CB-CG 4.08Å; E92-V142 HydrophobicContact CG-CG1 4.02Å; E92-V142 HydrophobicContact CG-CG2 4.11Å
93	F	95.9	Very high	94.2	Very high	124 Å²	124	57.8 Å²	57.8	54%	0.544	27%	0.268	S	S	.	.	H	α-helix	trans	-64.7	-43.3	175.2	179.9	-91.6	0	0	0	111.8	T89 H90 I91 L95 Q96	T89-F93 PolarHBondContact O-N 3.43Å; H90-F93 VanDerWaalsContact O-CB 3.31Å; H90-F93 WeakPolarHBondContact O-CB 3.37Å; H90-F93 PolarHBondContact O-N 3.02Å; I91-F93 PolarHBondContact O-N 2.93Å; F93-L95 VanDerWaalsContact C-N 3.3Å; F93-L95 PolarHBondContact O-N 3.41Å; F93-Q96 PolarHBondContact O-N 3.32Å; F93-Q96 PolarHBondContact O-NE2 2.79Å
94	H	96.7	Very high	94.4	Very high	45 Å²	45	59 Å²	59	21%	0.208	27%	0.271	C	S	.	.	H	α-helix	trans	-63.1	-34.8	176.9	-80.5	-60.1	0	0	0	113.5	M77 C78 H90 I91 Q96	M77-H94 HydrophobicContact CE-CB 3.54Å; M77-H94 HydrophobicContact SD-CB 3.47Å; M77-H94 WeakPolarHBondContact SD-CB 3.42Å; C78-H94 PolarHBondContact SG-NE2 2.79Å; H90-H94 AromaticContact CD2-CD2 3.97Å; H90-H94 AromaticContact CE1-NE2 3.77Å; H90-H94 AromaticContact NE2-CD2 3.64Å; H90-H94 AromaticContact NE2-NE2 3.29Å; H90-H94 PolarHBondContact NE2-NE2 2.86Å; H90-H94 PolarHBondContact O-N 3.22Å; I91-H94 WeakPolarHBondContact O-CB 3.48Å; I91-H94 PolarHBondContact O-N 3.35Å; H94-Q96 VanDerWaalsContact C-N 3.32Å; H94-Q96 PolarHBondContact O-NE2 3.2Å
95	L	96	Very high	94.7	Very high	50 Å²	50	60.9 Å²	60.9	26%	0.262	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	6.3	-180	-58.2	-177.6	0	0	0	113.3	I91 E92 F93 Y97 I138 R141 V142 L145	I91-L95 HydrophobicContact CG2-CD1 4.21Å; I91-L95 HydrophobicContact CG2-CG 4.44Å; I91-L95 PolarHBondContact O-N 2.87Å; I91-L95 VanDerWaalsContact O-N 3.12Å; E92-L95 PolarHBondContact O-N 3.09Å; F93-L95 VanDerWaalsContact C-N 3.3Å; F93-L95 PolarHBondContact O-N 3.41Å; L95-Y97 PolarHBondContact O-N 3.47Å; L95-I138 HydrophobicContact CD1-CG2 4.21Å; L95-R141 HydrophobicContact CD1-CB 4.31Å; L95-R141 HydrophobicContact CD1-CG 3.98Å; L95-V142 HydrophobicContact CD1-CG2 3.62Å; L95-L145 HydrophobicContact CD1-CD1 4.25Å; L95-L145 HydrophobicContact CD2-CD1 4.26Å
96	Q	95.9	Very high	95	Very high	142 Å²	142	59.5 Å²	59.5	66%	0.664	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.1	27.4	-170.7	-63.1	77.9	57.1	0	0	113.3	E92 F93 H94 R98	E92-Q96 PolarHBondContact O-N 3.38Å; F93-Q96 PolarHBondContact O-N 3.32Å; F93-Q96 PolarHBondContact O-NE2 2.79Å; H94-Q96 VanDerWaalsContact C-N 3.32Å; H94-Q96 PolarHBondContact O-NE2 3.2Å; Q96-R98 PolarHBondContact O-N 3.15Å
97	Y	96	Very high	95.3	Very high	15 Å²	15	59.7 Å²	59.7	6%	0.059	28%	0.281	C	S	.	.			trans	-80.2	126	-172.1	-176.8	-127.2	0	0	0	110.4	E92 L95 P99 R110 P134 S135 I138 E139 V142	E92-Y97 HydrophobicContact CG-CD1 4.12Å; E92-Y97 PolarHBondContact O-N 2.9Å; L95-Y97 PolarHBondContact O-N 3.47Å; Y97-P99 HydrophobicContact CD1-CG 4.44Å; Y97-P99 HydrophobicContact CE1-CB 4.05Å; Y97-P99 HydrophobicContact CE1-CG 3.92Å; Y97-P99 HydrophobicContact CE2-CB 4.33Å; Y97-R110 WeakPolarHBondContact O-CG 3.4Å; Y97-P134 WeakPolarHBondContact OH-CA 3.48Å; Y97-S135 PolarHBondContact OH-N 3.04Å; Y97-I138 HydrophobicContact CD1-CG2 4.02Å; Y97-I138 HydrophobicContact CD2-CB 3.97Å; Y97-I138 HydrophobicContact CD2-CD1 4.01Å; Y97-I138 HydrophobicContact CD2-CG2 3.43Å; Y97-I138 VanDerWaalsContact CD2-CG2 3.43Å; Y97-I138 HydrophobicContact CE2-CB 4.03Å; Y97-I138 HydrophobicContact CE2-CD1 4.29Å; Y97-I138 HydrophobicContact CE2-CG2 3.98Å; Y97-I138 HydrophobicContact CG-CB 4.4Å; Y97-I138 HydrophobicContact CG-CG2 3.46Å; Y97-I138 VanDerWaalsContact CG-CG2 3.46Å; Y97-E139 HydrophobicContact CE1-CG 3.62Å; Y97-E139 WeakPolarHBondContact OH-CG 3.3Å; Y97-E139 PolarHBondContact OH-OE1 3.17Å; Y97-V142 HydrophobicContact CD1-CG2 4.13Å
98	R	95.5	Very high	95.5	Very high	111 Å²	111	59 Å²	59	42%	0.419	28%	0.281	S	S	.	.			trans	-138.5	81.7	-174.5	-64.9	179.6	-174.2	176.8	3.4	110	Q96 Y100 D108 N109 R110	Q96-R98 PolarHBondContact O-N 3.15Å; R98-Y100 VanDerWaalsContact C-N 3.26Å; R98-Y100 PolarHBondContact O-N 3.48Å; R98-D108 HydrophobicContact CB-CB 4.24Å; R98-D108 WeakPolarHBondContact CD-OD1 3.36Å; R98-D108 IonicContact CZ-OD1 2.69Å; R98-D108 IonicContact NE-OD1 3.55Å; R98-D108 IonicContact NH1-OD1 3.17Å; R98-D108 PolarHBondContact NH1-OD1 2.82Å; R98-N109 CarbonylContact C-O 3.59Å; R98-R110 HydrophobicContact CG-CG 4.27Å
99	P	93.6	Very high	95.6	Very high	4 Å²	4	58.9 Å²	58.9	3%	0.026	28%	0.281	C	S	.	.			trans	-74	-14.2	-171.7	28.1	-35.2	0	0	0	114	Y97 F132 L133	Y97-P99 HydrophobicContact CD1-CG 4.44Å; Y97-P99 HydrophobicContact CE1-CB 4.05Å; Y97-P99 HydrophobicContact CE1-CG 3.92Å; Y97-P99 HydrophobicContact CE2-CB 4.33Å; P99-F132 HydrophobicContact CB-CD2 3.86Å; P99-F132 HydrophobicContact CB-CE2 3.53Å; P99-F132 HydrophobicContact CB-CZ 4.42Å; P99-F132 HydrophobicContact CG-CD2 4.34Å; P99-F132 HydrophobicContact CG-CE2 3.83Å; P99-F132 CarbonylContact O-C 3.58Å; P99-F132 WeakPolarHBondContact O-CA 3.26Å; P99-L133 PolarHBondContact O-N 3.13Å
100	Y	95.4	Very high	95.6	Very high	40 Å²	40	59.5 Å²	59.5	16%	0.157	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	124.7	179.5	-59.6	-85.8	0	0	0	110.5	R98 D108 N109 R110 E112 L131 F132	R98-Y100 VanDerWaalsContact C-N 3.26Å; R98-Y100 PolarHBondContact O-N 3.48Å; Y100-D108 CarbonylContact O-C 3.32Å; Y100-D108 VanDerWaalsContact O-CA 3.22Å; Y100-D108 WeakPolarHBondContact O-CA 3.23Å; Y100-D108 WeakPolarHBondContact O-CB 3.39Å; Y100-N109 WeakPolarHBondContact CB-O 3.5Å; Y100-N109 PolarHBondContact N-O 3.45Å; Y100-N109 VanDerWaalsContact N-O 3.11Å; Y100-N109 PolarHBondContact O-N 3.27Å; Y100-R110 VanDerWaalsContact CD2-O 3.28Å; Y100-R110 WeakPolarHBondContact CD2-O 3.43Å; Y100-R110 VanDerWaalsContact CE2-O 3.23Å; Y100-R110 WeakPolarHBondContact CE2-O 3.48Å; Y100-E112 HydrophobicContact CD1-CB 3.83Å; Y100-E112 HydrophobicContact CD1-CG 4.3Å; Y100-E112 HydrophobicContact CE1-CB 3.67Å; Y100-E112 HydrophobicContact CE1-CG 4.26Å; Y100-E112 HydrophobicContact CG-CB 4.42Å; Y100-L131 CarbonylContact C-O 3.55Å; Y100-L131 VanDerWaalsContact CA-O 3.27Å; Y100-L131 WeakPolarHBondContact CA-O 3.47Å; Y100-F132 HydrophobicContact CD1-CB 4.21Å; Y100-F132 AromaticContact CD1-CD2 3.79Å; Y100-F132 HydrophobicContact CD1-CD2 3.79Å; Y100-F132 HydrophobicContact CD1-CG 4.46Å; Y100-F132 HydrophobicContact CD2-CD2 4.43Å; Y100-F132 HydrophobicContact CE1-CB 4.17Å; Y100-F132 AromaticContact CE1-CD2 3.42Å; Y100-F132 HydrophobicContact CE1-CD2 3.42Å; Y100-F132 VanDerWaalsContact CE1-CD2 3.42Å; Y100-F132 HydrophobicContact CE1-CE2 4.17Å; Y100-F132 HydrophobicContact CE1-CG 4.11Å; Y100-F132 HydrophobicContact CE2-CD2 4.14Å; Y100-F132 HydrophobicContact CE2-CE2 4.23Å; Y100-F132 HydrophobicContact CG-CD2 4.29Å; Y100-F132 AromaticContact CZ-CD2 3.62Å; Y100-F132 AromaticContact CZ-CE2 3.89Å
101	K	95.4	Very high	95.5	Very high	77 Å²	77	61.5 Å²	61.5	34%	0.335	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	148.2	177.8	-60.8	-162.1	173.1	-84.9	0	111.2	D108 L131 L133	K101-D108 HydrophobicContact CG-CB 3.94Å; K101-D108 IonicContact NZ-OD2 2.72Å; K101-D108 PolarHBondContact NZ-OD2 2.7Å; K101-L131 HydrophobicContact CB-CB 4.48Å; K101-L131 PolarHBondContact N-O 3.28Å; K101-L131 PolarHBondContact O-N 2.69Å; K101-L133 HydrophobicContact CD-CD1 4.17Å
102	C	95.7	Very high	95.3	Very high	8 Å²	8	64.5 Å²	64.5	5%	0.054	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	141.1	166.8	-175.8	0	0	0	0	109.6	L104 C105 Y107 I115 L119	C102-L104 VanDerWaalsContact C-N 3.31Å; C102-L104 PolarHBondContact SG-N 2.97Å; C102-L104 VanDerWaalsContact SG-N 3.35Å; C102-C105 VanDerWaalsContact O-O 3.13Å; C102-Y107 WeakPolarHBondContact CB-O 3.41Å; C102-Y107 PolarHBondContact N-O 2.92Å; C102-I115 HydrophobicContact CB-CG2 4.38Å; C102-L119 VanDerWaalsContact SG-CD2 3.51Å
103	S	94.9	Very high	95.2	Very high	50 Å²	50	67.9 Å²	67.9	35%	0.35	32%	0.319	S	S	.	.	S	Bend	trans	-79.1	-13.3	174	68.4	0	0	0	0	114	G128 E129	S103-G128 WeakPolarHBondContact OG-CA 3.42Å; S103-E129 PolarHBondContact N-O 3.37Å; S103-E129 PolarHBondContact OG-N 3.25Å; S103-E129 PolarHBondContact OG-O 3.07Å
104	L	94.7	Very high	95.2	Very high	72 Å²	72	66 Å²	66	38%	0.377	31%	0.311	S	S	.	.	S	Bend	trans	-107	-20.3	-172.6	-60	176.4	0	0	0	113.4	C102 L119 H123 E126	C102-L104 VanDerWaalsContact C-N 3.31Å; C102-L104 PolarHBondContact SG-N 2.97Å; C102-L104 VanDerWaalsContact SG-N 3.35Å; L104-L119 HydrophobicContact CD1-CD2 4.21Å; L104-H123 VanDerWaalsContact CB-CE1 3.45Å; L104-H123 WeakPolarHBondContact CB-CE1 3.47Å; L104-H123 HydrophobicContact CD1-CB 3.67Å; L104-E126 HydrophobicContact CD1-CB 3.57Å; L104-E126 WeakPolarHBondContact CD1-OE2 3.41Å
105	C	95.8	Very high	95.2	Very high	47 Å²	47	63.9 Å²	63.9	32%	0.318	30%	0.301	S	S	.	.	S	Bend	trans	-150.5	177.4	177.5	73.6	0	0	0	0	111.2	C102 Y107 H118 H123	C102-C105 VanDerWaalsContact O-O 3.13Å; C105-Y107 PolarHBondContact O-N 3.39Å; C105-Y107 VanDerWaalsContact O-N 3.15Å; C105-Y107 VanDerWaalsContact SG-CB 3.51Å; C105-Y107 PolarHBondContact SG-N 3.23Å; C105-H118 PolarHBondContact SG-CE1 2.97Å; C105-H118 PolarHBondContact SG-NE2 3.49Å; C105-H123 PolarHBondContact SG-NE2 3.02Å
106	E	96	Very high	95	Very high	189 Å²	189	65.9 Å²	65.9	88%	0.883	31%	0.309	S	S	*	.	S	Bend	trans	-75	2.7	-177.4	-59.8	-177.9	169.1	0	0	114.3	D108	E106-D108 PolarHBondContact O-N 3.47Å
107	Y	96.8	Very high	95	Very high	93 Å²	93	61.9 Å²	61.9	37%	0.365	29%	0.291	S	S	.	.			trans	-65.1	128.9	-178.5	-173.4	-101.1	0	0	0	112	C102 C105 N109 I115 H118	C102-Y107 WeakPolarHBondContact CB-O 3.41Å; C102-Y107 PolarHBondContact N-O 2.92Å; C105-Y107 PolarHBondContact O-N 3.39Å; C105-Y107 VanDerWaalsContact O-N 3.15Å; C105-Y107 VanDerWaalsContact SG-CB 3.51Å; C105-Y107 PolarHBondContact SG-N 3.23Å; Y107-N109 HydrophobicContact CE1-CB 4.5Å; Y107-N109 PolarHBondContact OH-ND2 2.83Å; Y107-I115 HydrophobicContact CD1-CD1 3.7Å; Y107-I115 HydrophobicContact CE1-CD1 3.88Å; Y107-H118 VanDerWaalsContact CB-CE1 3.5Å; Y107-H118 WeakPolarHBondContact CB-CE1 3.22Å; Y107-H118 HydrophobicContact CD1-CB 3.67Å; Y107-H118 AromaticContact CD1-CD2 3.71Å; Y107-H118 AromaticContact CD1-CG 3.33Å; Y107-H118 AromaticContact CD1-ND1 3.55Å; Y107-H118 HydrophobicContact CE1-CB 3.59Å; Y107-H118 AromaticContact CE1-CG 3.79Å; Y107-H118 AromaticContact CG-CE1 3.72Å; Y107-H118 AromaticContact CG-CG 3.82Å; Y107-H118 AromaticContact CG-ND1 3.53Å
108	D	96.8	Very high	95	Very high	34 Å²	34	61.9 Å²	61.9	18%	0.182	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	160	177.8	63.3	32.1	0	0	0	114	R98 Y100 K101 E106	R98-D108 HydrophobicContact CB-CB 4.24Å; R98-D108 WeakPolarHBondContact CD-OD1 3.36Å; R98-D108 IonicContact CZ-OD1 2.69Å; R98-D108 IonicContact NE-OD1 3.55Å; R98-D108 IonicContact NH1-OD1 3.17Å; R98-D108 PolarHBondContact NH1-OD1 2.82Å; Y100-D108 CarbonylContact O-C 3.32Å; Y100-D108 VanDerWaalsContact O-CA 3.22Å; Y100-D108 WeakPolarHBondContact O-CA 3.23Å; Y100-D108 WeakPolarHBondContact O-CB 3.39Å; K101-D108 HydrophobicContact CG-CB 3.94Å; K101-D108 IonicContact NZ-OD2 2.72Å; K101-D108 PolarHBondContact NZ-OD2 2.7Å; E106-D108 PolarHBondContact O-N 3.47Å
109	N	96	Very high	95	Very high	20 Å²	20	57.3 Å²	57.3	11%	0.107	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156	164.6	-179	-145.8	-69.3	0	0	0	113.7	R98 Y100 Y107 K111 F114 I115	R98-N109 CarbonylContact C-O 3.59Å; Y100-N109 WeakPolarHBondContact CB-O 3.5Å; Y100-N109 PolarHBondContact N-O 3.45Å; Y100-N109 VanDerWaalsContact N-O 3.11Å; Y100-N109 PolarHBondContact O-N 3.27Å; Y107-N109 HydrophobicContact CE1-CB 4.5Å; Y107-N109 PolarHBondContact OH-ND2 2.83Å; N109-K111 PolarHBondContact OD1-N 2.95Å; N109-F114 HydrophobicContact CB-CB 3.88Å; N109-F114 VanDerWaalsContact ND2-CB 3.35Å; N109-F114 WeakPolarHBondContact ND2-CB 3.47Å; N109-F114 WeakPolarHBondContact OD1-CD2 3.43Å; N109-I115 HydrophobicContact CB-CD1 3.85Å; N109-I115 HydrophobicContact CB-CG1 4.4Å
110	R	93.9	Very high	95	Very high	58 Å²	58	65.7 Å²	65.7	22%	0.219	31%	0.307	C	S	.	.	S	Bend	trans	-74.1	-25.3	173.5	-79.9	173.5	-67.6	-94.3	0.5	113.7	E92 Y97 R98 Y100	E92-R110 HydrophobicContact CB-CG 4.08Å; Y97-R110 WeakPolarHBondContact O-CG 3.4Å; R98-R110 HydrophobicContact CG-CG 4.27Å; Y100-R110 VanDerWaalsContact CD2-O 3.28Å; Y100-R110 WeakPolarHBondContact CD2-O 3.43Å; Y100-R110 VanDerWaalsContact CE2-O 3.23Å; Y100-R110 WeakPolarHBondContact CE2-O 3.48Å
111	K	91.9	Very high	95	Very high	83 Å²	83	69.9 Å²	69.9	36%	0.361	33%	0.326	S	S	.	.	S	Bend	trans	-128	139.4	-179.3	-54.5	-173.1	178.4	-176.2	0	111.9	N109 I113 F114	N109-K111 PolarHBondContact OD1-N 2.95Å; K111-I113 HydrophobicContact CB-CG1 4.39Å; K111-I113 PolarHBondContact O-N 3.4Å; K111-I113 VanDerWaalsContact O-N 3.16Å; K111-F114 HydrophobicContact CB-CD2 3.8Å; K111-F114 HydrophobicContact CB-CE2 4.11Å; K111-F114 HydrophobicContact CD-CE2 4.11Å; K111-F114 HydrophobicContact CG-CD2 4.39Å; K111-F114 HydrophobicContact CG-CE2 4.26Å; K111-F114 PolarHBondContact O-N 3.29Å; K111-F114 VanDerWaalsContact O-N 3.12Å
112	E	93	Very high	95	Very high	64 Å²	64	74.4 Å²	74.4	30%	0.299	34%	0.342	S	S	.	.	H	α-helix	trans	-50.8	-38.6	174.9	-168.8	179.7	-179.6	0	0	112.3	Y100 F114 I115 Q116 K200	Y100-E112 HydrophobicContact CD1-CB 3.83Å; Y100-E112 HydrophobicContact CD1-CG 4.3Å; Y100-E112 HydrophobicContact CE1-CB 3.67Å; Y100-E112 HydrophobicContact CE1-CG 4.26Å; Y100-E112 HydrophobicContact CG-CB 4.42Å; E112-F114 PolarHBondContact O-N 3.49Å; E112-F114 VanDerWaalsContact O-N 3.15Å; E112-I115 PolarHBondContact O-N 2.88Å; E112-Q116 WeakPolarHBondContact O-CG 3.5Å; E112-Q116 PolarHBondContact O-N 3.01Å; E112-K200 IonicContact OE1-NZ 2.91Å; E112-K200 PolarHBondContact OE1-NZ 3.21Å; E112-K200 IonicContact OE2-NZ 3.77Å; E112-K200 PolarHBondContact OE2-NZ 2.78Å
113	I	93.8	Very high	94.9	Very high	99 Å²	99	75.2 Å²	75.2	51%	0.508	35%	0.345	S	S	.	.	H	α-helix	trans	-58.3	-33.8	-176.8	85.3	173.4	0	0	0	112.5	K111 Q116 I117	K111-I113 HydrophobicContact CB-CG1 4.39Å; K111-I113 PolarHBondContact O-N 3.4Å; K111-I113 VanDerWaalsContact O-N 3.16Å; I113-Q116 PolarHBondContact O-N 3.36Å; I113-I117 VanDerWaalsContact O-CG1 3.26Å; I113-I117 WeakPolarHBondContact O-CG1 3.47Å; I113-I117 PolarHBondContact O-N 3.46Å
114	F	95.3	Very high	94.3	Very high	85 Å²	85	81.3 Å²	81.3	37%	0.373	37%	0.365	S	S	.	.	H	α-helix	trans	-76.5	-32.1	-178.1	-67.3	-65	0	0	0	111.2	N109 K111 E112 H118	N109-F114 HydrophobicContact CB-CB 3.88Å; N109-F114 VanDerWaalsContact ND2-CB 3.35Å; N109-F114 WeakPolarHBondContact ND2-CB 3.47Å; N109-F114 WeakPolarHBondContact OD1-CD2 3.43Å; K111-F114 HydrophobicContact CB-CD2 3.8Å; K111-F114 HydrophobicContact CB-CE2 4.11Å; K111-F114 HydrophobicContact CD-CE2 4.11Å; K111-F114 HydrophobicContact CG-CD2 4.39Å; K111-F114 HydrophobicContact CG-CE2 4.26Å; K111-F114 PolarHBondContact O-N 3.29Å; K111-F114 VanDerWaalsContact O-N 3.12Å; E112-F114 PolarHBondContact O-N 3.49Å; E112-F114 VanDerWaalsContact O-N 3.15Å; F114-H118 WeakPolarHBondContact O-CB 3.21Å; F114-H118 PolarHBondContact O-N 3.4Å
115	I	95.8	Very high	93.1	Very high	0 Å²	0	81.7 Å²	81.7	0%	0	39%	0.387	C	S	.	.	H	α-helix	trans	-65.9	-43.8	170.4	-54.1	-55.1	0	0	0	110	C102 Y107 N109 E112 I117 H118 L119	C102-I115 HydrophobicContact CB-CG2 4.38Å; Y107-I115 HydrophobicContact CD1-CD1 3.7Å; Y107-I115 HydrophobicContact CE1-CD1 3.88Å; N109-I115 HydrophobicContact CB-CD1 3.85Å; N109-I115 HydrophobicContact CB-CG1 4.4Å; E112-I115 PolarHBondContact O-N 2.88Å; I115-I117 PolarHBondContact O-N 3.19Å; I115-H118 WeakPolarHBondContact O-CB 3.44Å; I115-H118 PolarHBondContact O-N 2.82Å; I115-H118 VanDerWaalsContact O-N 3.14Å; I115-L119 HydrophobicContact CG2-CD1 4.12Å; I115-L119 HydrophobicContact CG2-CG 4.25Å; I115-L119 WeakPolarHBondContact O-CB 3.31Å; I115-L119 VanDerWaalsContact O-CG 3.31Å; I115-L119 WeakPolarHBondContact O-CG 3.29Å; I115-L119 PolarHBondContact O-N 3.46Å
116	Q	93.6	Very high	92.3	Very high	93 Å²	93	85.1 Å²	85.1	44%	0.435	40%	0.398	S	S	.	.	H	α-helix	trans	-60.7	-43.2	176.6	-64.4	-61.9	-20.3	0	0	112.7	E112 I113 H118 R120	E112-Q116 WeakPolarHBondContact O-CG 3.5Å; E112-Q116 PolarHBondContact O-N 3.01Å; I113-Q116 PolarHBondContact O-N 3.36Å; Q116-H118 VanDerWaalsContact C-N 3.34Å; Q116-R120 WeakPolarHBondContact O-CB 3.33Å; Q116-R120 PolarHBondContact O-N 3.17Å; Q116-R120 VanDerWaalsContact O-N 3.09Å
117	I	95	Very high	91.8	Very high	57 Å²	57	83.2 Å²	83.2	29%	0.292	39%	0.394	S	S	.	.	H	α-helix	trans	-64.2	-41.6	174.5	-68.3	164.6	0	0	0	110.8	I113 I115 R120 K121	I113-I117 VanDerWaalsContact O-CG1 3.26Å; I113-I117 WeakPolarHBondContact O-CG1 3.47Å; I113-I117 PolarHBondContact O-N 3.46Å; I115-I117 PolarHBondContact O-N 3.19Å; I117-R120 PolarHBondContact O-N 3.49Å; I117-K121 HydrophobicContact CG2-CD 3.94Å; I117-K121 HydrophobicContact CG2-CG 4.38Å; I117-K121 WeakPolarHBondContact O-CB 3.31Å; I117-K121 VanDerWaalsContact O-CG 3.32Å; I117-K121 WeakPolarHBondContact O-CG 3.37Å; I117-K121 PolarHBondContact O-N 2.98Å
118	H	95.9	Very high	91.3	Very high	16 Å²	16	79.6 Å²	79.6	7%	0.074	39%	0.385	C	S	.	.	H	α-helix	trans	-61.9	-49.7	177.3	162	85.3	0	0	0	111.5	C105 Y107 F114 I115 Q116 R120 K121 Y122 H123	C105-H118 PolarHBondContact SG-CE1 2.97Å; C105-H118 PolarHBondContact SG-NE2 3.49Å; Y107-H118 VanDerWaalsContact CB-CE1 3.5Å; Y107-H118 WeakPolarHBondContact CB-CE1 3.22Å; Y107-H118 HydrophobicContact CD1-CB 3.67Å; Y107-H118 AromaticContact CD1-CD2 3.71Å; Y107-H118 AromaticContact CD1-CG 3.33Å; Y107-H118 AromaticContact CD1-ND1 3.55Å; Y107-H118 HydrophobicContact CE1-CB 3.59Å; Y107-H118 AromaticContact CE1-CG 3.79Å; Y107-H118 AromaticContact CG-CE1 3.72Å; Y107-H118 AromaticContact CG-CG 3.82Å; Y107-H118 AromaticContact CG-ND1 3.53Å; F114-H118 WeakPolarHBondContact O-CB 3.21Å; F114-H118 PolarHBondContact O-N 3.4Å; I115-H118 WeakPolarHBondContact O-CB 3.44Å; I115-H118 PolarHBondContact O-N 2.82Å; I115-H118 VanDerWaalsContact O-N 3.14Å; Q116-H118 VanDerWaalsContact C-N 3.34Å; H118-R120 VanDerWaalsContact C-N 3.33Å; H118-R120 PolarHBondContact O-N 3.17Å; H118-K121 PolarHBondContact O-N 3.22Å; H118-Y122 HydrophobicContact CB-CD2 4.45Å; H118-Y122 AromaticContact CE1-CD2 3.93Å; H118-Y122 AromaticContact ND1-CD2 3.33Å; H118-Y122 VanDerWaalsContact ND1-CD2 3.33Å; H118-Y122 WeakPolarHBondContact ND1-CD2 3.32Å; H118-Y122 AromaticContact ND1-CE2 3.95Å; H118-Y122 WeakPolarHBondContact O-CD2 3.15Å; H118-Y122 PolarHBondContact O-N 3.28Å; H118-H123 AromaticContact CD2-CD2 3.99Å; H118-H123 AromaticContact CE1-NE2 3.91Å; H118-H123 AromaticContact NE2-CD2 3.39Å; H118-H123 PolarHBondContact NE2-CD2 3.35Å; H118-H123 AromaticContact NE2-NE2 3.29Å; H118-H123 PolarHBondContact NE2-NE2 3.38Å
119	L	95.4	Very high	91	Very high	15 Å²	15	81.7 Å²	81.7	8%	0.079	39%	0.394	C	S	.	.	H	α-helix	trans	-54.1	-48.4	175.8	-72.4	172	0	0	0	111.4	C102 L104 I115 K121 H123 G128	C102-L119 VanDerWaalsContact SG-CD2 3.51Å; L104-L119 HydrophobicContact CD1-CD2 4.21Å; I115-L119 HydrophobicContact CG2-CD1 4.12Å; I115-L119 HydrophobicContact CG2-CG 4.25Å; I115-L119 WeakPolarHBondContact O-CB 3.31Å; I115-L119 VanDerWaalsContact O-CG 3.31Å; I115-L119 WeakPolarHBondContact O-CG 3.29Å; I115-L119 PolarHBondContact O-N 3.46Å; L119-K121 VanDerWaalsContact C-N 3.3Å; L119-K121 PolarHBondContact O-N 3.37Å; L119-H123 HydrophobicContact CD2-CB 4.35Å; L119-H123 CarbonylContact O-C 3.5Å; L119-H123 WeakPolarHBondContact O-CA 3.48Å; L119-H123 WeakPolarHBondContact O-CB 3.37Å; L119-H123 PolarHBondContact O-N 3.21Å; L119-G128 WeakPolarHBondContact CD1-O 3.39Å
120	R	93.7	Very high	90.8	Very high	179 Å²	179	81.3 Å²	81.3	68%	0.675	39%	0.393	S	S	*	.	H	α-helix	trans	-63.8	-32.1	177.9	-178.4	173.5	56.2	176.2	-3.5	113.6	Q116 I117 H118 K124	Q116-R120 WeakPolarHBondContact O-CB 3.33Å; Q116-R120 PolarHBondContact O-N 3.17Å; Q116-R120 VanDerWaalsContact O-N 3.09Å; I117-R120 PolarHBondContact O-N 3.49Å; H118-R120 VanDerWaalsContact C-N 3.33Å; H118-R120 PolarHBondContact O-N 3.17Å; R120-K124 VanDerWaalsContact O-CG 3.29Å; R120-K124 WeakPolarHBondContact O-CG 3.38Å
121	K	95.1	Very high	90.8	Very high	129 Å²	129	81.1 Å²	81.1	56%	0.561	40%	0.396	S	S	*	.	H	α-helix	trans	-85.2	-42.3	-175.7	-77.9	-175	175.7	-168.4	0	112.8	I117 H118 L119 K124	I117-K121 HydrophobicContact CG2-CD 3.94Å; I117-K121 HydrophobicContact CG2-CG 4.38Å; I117-K121 WeakPolarHBondContact O-CB 3.31Å; I117-K121 VanDerWaalsContact O-CG 3.32Å; I117-K121 WeakPolarHBondContact O-CG 3.37Å; I117-K121 PolarHBondContact O-N 2.98Å; H118-K121 PolarHBondContact O-N 3.22Å; L119-K121 VanDerWaalsContact C-N 3.3Å; L119-K121 PolarHBondContact O-N 3.37Å; K121-K124 WeakPolarHBondContact O-CE 3.42Å
122	Y	95.3	Very high	90.8	Very high	171 Å²	171	78.2 Å²	78.2	67%	0.671	38%	0.383	S	S	*	.	H	α-helix	trans	-107.8	-25.8	-168.4	-62.6	-78	0	0	0	113.4	H118	H118-Y122 HydrophobicContact CB-CD2 4.45Å; H118-Y122 AromaticContact CE1-CD2 3.93Å; H118-Y122 AromaticContact ND1-CD2 3.33Å; H118-Y122 VanDerWaalsContact ND1-CD2 3.33Å; H118-Y122 WeakPolarHBondContact ND1-CD2 3.32Å; H118-Y122 AromaticContact ND1-CE2 3.95Å; H118-Y122 WeakPolarHBondContact O-CD2 3.15Å; H118-Y122 PolarHBondContact O-N 3.28Å
123	H	93.6	Very high	90.7	Very high	26 Å²	26	80.1 Å²	80.1	12%	0.12	40%	0.395	C	S	.	.	S	Bend	trans	-116.2	37.1	-176.2	-64.8	-70.9	0	0	0	112.2	L104 C105 H118 L119 G125 E126	L104-H123 VanDerWaalsContact CB-CE1 3.45Å; L104-H123 WeakPolarHBondContact CB-CE1 3.47Å; L104-H123 HydrophobicContact CD1-CB 3.67Å; C105-H123 PolarHBondContact SG-NE2 3.02Å; H118-H123 AromaticContact CD2-CD2 3.99Å; H118-H123 AromaticContact CE1-NE2 3.91Å; H118-H123 AromaticContact NE2-CD2 3.39Å; H118-H123 PolarHBondContact NE2-CD2 3.35Å; H118-H123 AromaticContact NE2-NE2 3.29Å; H118-H123 PolarHBondContact NE2-NE2 3.38Å; L119-H123 HydrophobicContact CD2-CB 4.35Å; L119-H123 CarbonylContact O-C 3.5Å; L119-H123 WeakPolarHBondContact O-CA 3.48Å; L119-H123 WeakPolarHBondContact O-CB 3.37Å; L119-H123 PolarHBondContact O-N 3.21Å; H123-G125 PolarHBondContact O-N 3.21Å; H123-E126 HydrophobicContact CB-CB 4.26Å; H123-E126 IonicContact CE1-OE2 3.78Å; H123-E126 IonicContact CG-OE2 2.9Å; H123-E126 IonicContact ND1-OE2 2.9Å; H123-E126 PolarHBondContact ND1-OE2 2.89Å; H123-E126 PolarHBondContact O-N 3.04Å
124	K	83.4	Confident	90.4	Very high	177 Å²	177	77.9 Å²	77.9	77%	0.77	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.4	92.9	-171.8	-66.6	174.4	-177.4	177.3	0	113.3	R120 K121	R120-K124 VanDerWaalsContact O-CG 3.29Å; R120-K124 WeakPolarHBondContact O-CG 3.38Å; K121-K124 WeakPolarHBondContact O-CE 3.42Å
125	G	69.6	Low	90.2	Very high	81 Å²	81	75.7 Å²	75.7	84%	0.835	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.6	-1.8	177	0	0	0	0	0	115.6	H123	H123-G125 PolarHBondContact O-N 3.21Å
126	E	79.3	Confident	89.9	Confident	118 Å²	118	81.3 Å²	81.3	55%	0.551	41%	0.408	S	S	*	.	S	Bend	trans	-79.5	147.9	170.1	-59.6	-179.7	151.3	0	0	110	L104 H123 G128	L104-E126 HydrophobicContact CD1-CB 3.57Å; L104-E126 WeakPolarHBondContact CD1-OE2 3.41Å; H123-E126 HydrophobicContact CB-CB 4.26Å; H123-E126 IonicContact CE1-OE2 3.78Å; H123-E126 IonicContact CG-OE2 2.9Å; H123-E126 IonicContact ND1-OE2 2.9Å; H123-E126 PolarHBondContact ND1-OE2 2.89Å; H123-E126 PolarHBondContact O-N 3.04Å; E126-G128 PolarHBondContact O-N 2.98Å
127	N	84.5	Confident	89.8	Confident	149 Å²	149	83.1 Å²	83.1	80%	0.797	42%	0.421	S	S	*	.			trans	-75.3	54	179.5	-71.5	-26.3	0	0	0	111.8
128	G	86.7	Confident	89.7	Confident	18 Å²	18	83.4 Å²	83.4	19%	0.186	42%	0.422	C	S	.	.			trans	-81.5	144.2	178.4	0	0	0	0	0	112.2	S103 L119 E126	S103-G128 WeakPolarHBondContact OG-CA 3.42Å; L119-G128 WeakPolarHBondContact CD1-O 3.39Å; E126-G128 PolarHBondContact O-N 2.98Å
129	E	91	Very high	89.4	Confident	78 Å²	78	84 Å²	84	36%	0.364	43%	0.425	S	S	.	.			trans	-128.1	154	-177.3	-64.2	-174.9	159.7	0	0	110.9	S103 L131 R208	S103-E129 PolarHBondContact N-O 3.37Å; S103-E129 PolarHBondContact OG-N 3.25Å; S103-E129 PolarHBondContact OG-O 3.07Å; E129-L131 PolarHBondContact O-N 3.46Å; E129-R208 IonicContact OE1-CZ 3.03Å; E129-R208 IonicContact OE1-NH1 2.81Å; E129-R208 IonicContact OE1-NH2 3.9Å; E129-R208 PolarHBondContact OE1-NH2 3.3Å
130	S	92.3	Very high	89.2	Confident	11 Å²	11	87.2 Å²	87.2	8%	0.077	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	106.8	169	-174	0	0	0	0	109.5	R197	S130-R197 PolarHBondContact O-NH1 2.87Å
131	L	92.6	Very high	89.2	Confident	54 Å²	54	84.1 Å²	84.1	28%	0.283	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	135.5	170.6	-55.1	-178.1	0	0	0	108.8	Y100 K101 E129 L133	Y100-L131 CarbonylContact C-O 3.55Å; Y100-L131 VanDerWaalsContact CA-O 3.27Å; Y100-L131 WeakPolarHBondContact CA-O 3.47Å; K101-L131 HydrophobicContact CB-CB 4.48Å; K101-L131 PolarHBondContact N-O 3.28Å; K101-L131 PolarHBondContact O-N 2.69Å; E129-L131 PolarHBondContact O-N 3.46Å; L131-L133 HydrophobicContact CB-CG 4.4Å
132	F	91.3	Very high	89.2	Confident	23 Å²	23	78.2 Å²	78.2	10%	0.101	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	106.7	174.2	177	-110.1	0	0	0	105.8	P99 Y100 P134	P99-F132 HydrophobicContact CB-CD2 3.86Å; P99-F132 HydrophobicContact CB-CE2 3.53Å; P99-F132 HydrophobicContact CB-CZ 4.42Å; P99-F132 HydrophobicContact CG-CD2 4.34Å; P99-F132 HydrophobicContact CG-CE2 3.83Å; P99-F132 CarbonylContact O-C 3.58Å; P99-F132 WeakPolarHBondContact O-CA 3.26Å; Y100-F132 HydrophobicContact CD1-CB 4.21Å; Y100-F132 AromaticContact CD1-CD2 3.79Å; Y100-F132 HydrophobicContact CD1-CD2 3.79Å; Y100-F132 HydrophobicContact CD1-CG 4.46Å; Y100-F132 HydrophobicContact CD2-CD2 4.43Å; Y100-F132 HydrophobicContact CE1-CB 4.17Å; Y100-F132 AromaticContact CE1-CD2 3.42Å; Y100-F132 HydrophobicContact CE1-CD2 3.42Å; Y100-F132 VanDerWaalsContact CE1-CD2 3.42Å; Y100-F132 HydrophobicContact CE1-CE2 4.17Å; Y100-F132 HydrophobicContact CE1-CG 4.11Å; Y100-F132 HydrophobicContact CE2-CD2 4.14Å; Y100-F132 HydrophobicContact CE2-CE2 4.23Å; Y100-F132 HydrophobicContact CG-CD2 4.29Å; Y100-F132 AromaticContact CZ-CD2 3.62Å; Y100-F132 AromaticContact CZ-CE2 3.89Å; F132-P134 HydrophobicContact CD1-CB 4.48Å; F132-P134 HydrophobicContact CD1-CG 4.06Å; F132-P134 HydrophobicContact CE1-CB 3.74Å; F132-P134 HydrophobicContact CE1-CG 3.61Å; F132-P134 HydrophobicContact CZ-CB 3.77Å; F132-P134 HydrophobicContact CZ-CG 4.18Å; F132-P134 VanDerWaalsContact O-CD 3.28Å; F132-P134 WeakPolarHBondContact O-CD 3.25Å
133	L	90.8	Very high	89	Confident	103 Å²	103	71.8 Å²	71.8	54%	0.539	38%	0.376	S	S	.	.			trans	-116.4	82.9	-177	-60.9	-177.5	0	0	0	107.9	P99 K101 L131	P99-L133 PolarHBondContact O-N 3.13Å; K101-L133 HydrophobicContact CD-CD1 4.17Å; L131-L133 HydrophobicContact CB-CG 4.4Å
134	P	88.9	Confident	88.9	Confident	52 Å²	52	73.4 Å²	73.4	34%	0.338	38%	0.384	S	S	.	.			trans	-74.1	141.2	-178.3	31.5	-35.4	0	0	0	111.2	Y97 F132 E139	Y97-P134 WeakPolarHBondContact OH-CA 3.48Å; F132-P134 HydrophobicContact CD1-CB 4.48Å; F132-P134 HydrophobicContact CD1-CG 4.06Å; F132-P134 HydrophobicContact CE1-CB 3.74Å; F132-P134 HydrophobicContact CE1-CG 3.61Å; F132-P134 HydrophobicContact CZ-CB 3.77Å; F132-P134 HydrophobicContact CZ-CG 4.18Å; F132-P134 VanDerWaalsContact O-CD 3.28Å; F132-P134 WeakPolarHBondContact O-CD 3.25Å; P134-E139 WeakPolarHBondContact CB-OE1 3.37Å
135	S	91.4	Very high	89.5	Confident	39 Å²	39	65.4 Å²	65.4	27%	0.273	35%	0.349	S	S	.	.			trans	-97.8	116	165	169.5	0	0	0	0	108.6	Y97 D137 I138 E139	Y97-S135 PolarHBondContact OH-N 3.04Å; S135-D137 VanDerWaalsContact C-N 3.32Å; S135-D137 PolarHBondContact O-N 3.25Å; S135-I138 PolarHBondContact O-N 2.93Å; S135-I138 WeakPolarHBondContact OG-CG1 3.03Å; S135-E139 WeakPolarHBondContact O-CB 3.15Å; S135-E139 WeakPolarHBondContact O-CG 3.47Å; S135-E139 PolarHBondContact O-N 2.98Å
136	E	89	Confident	90.6	Very high	119 Å²	119	61.5 Å²	61.5	56%	0.556	31%	0.31	S	S	*	.	H	α-helix	trans	-57.7	-44.7	-176.4	-169.9	171.6	179.5	0	0	112	E139 K140 W186	E136-E139 PolarHBondContact O-N 3.45Å; E136-K140 WeakPolarHBondContact O-CB 3.35Å; E136-K140 PolarHBondContact O-N 3.1Å; E136-W186 HydrophobicContact CG-CH2 3.73Å; E136-W186 HydrophobicContact CG-CZ2 4.2Å
137	D	90.5	Very high	91.2	Very high	130 Å²	130	57.2 Å²	57.2	70%	0.695	29%	0.29	S	S	*	.	H	α-helix	trans	-63	-45.1	179.9	-59.6	-54.3	0	0	0	112.1	S135 R141	S135-D137 VanDerWaalsContact C-N 3.32Å; S135-D137 PolarHBondContact O-N 3.25Å; D137-R141 WeakPolarHBondContact O-CB 3.28Å; D137-R141 PolarHBondContact O-N 3.04Å
138	I	93	Very high	91.6	Very high	63 Å²	63	53.8 Å²	53.8	32%	0.323	27%	0.269	S	S	.	.	H	α-helix	trans	-69.9	-40.5	-180	-57.1	173.5	0	0	0	110.1	L95 Y97 S135 K140 R141 V142	L95-I138 HydrophobicContact CD1-CG2 4.21Å; Y97-I138 HydrophobicContact CD1-CG2 4.02Å; Y97-I138 HydrophobicContact CD2-CB 3.97Å; Y97-I138 HydrophobicContact CD2-CD1 4.01Å; Y97-I138 HydrophobicContact CD2-CG2 3.43Å; Y97-I138 VanDerWaalsContact CD2-CG2 3.43Å; Y97-I138 HydrophobicContact CE2-CB 4.03Å; Y97-I138 HydrophobicContact CE2-CD1 4.29Å; Y97-I138 HydrophobicContact CE2-CG2 3.98Å; Y97-I138 HydrophobicContact CG-CB 4.4Å; Y97-I138 HydrophobicContact CG-CG2 3.46Å; Y97-I138 VanDerWaalsContact CG-CG2 3.46Å; S135-I138 PolarHBondContact O-N 2.93Å; S135-I138 WeakPolarHBondContact OG-CG1 3.03Å; I138-K140 PolarHBondContact O-N 3.22Å; I138-R141 WeakPolarHBondContact O-CB 3.39Å; I138-R141 PolarHBondContact O-N 3.43Å; I138-R141 VanDerWaalsContact O-N 3.15Å; I138-V142 HydrophobicContact CG2-CG2 4.36Å; I138-V142 WeakPolarHBondContact O-CG2 3.45Å; I138-V142 PolarHBondContact O-N 3.1Å
139	E	90.7	Very high	91.9	Very high	28 Å²	28	52.9 Å²	52.9	13%	0.131	26%	0.26	C	S	.	.	H	α-helix	trans	-63.7	-41.4	177.4	-74.8	-167.7	175	0	0	112.9	Y97 P134 S135 E136 R141 V142 W143 W186 L190	Y97-E139 HydrophobicContact CE1-CG 3.62Å; Y97-E139 WeakPolarHBondContact OH-CG 3.3Å; Y97-E139 PolarHBondContact OH-OE1 3.17Å; P134-E139 WeakPolarHBondContact CB-OE1 3.37Å; S135-E139 WeakPolarHBondContact O-CB 3.15Å; S135-E139 WeakPolarHBondContact O-CG 3.47Å; S135-E139 PolarHBondContact O-N 2.98Å; E136-E139 PolarHBondContact O-N 3.45Å; E139-R141 VanDerWaalsContact C-N 3.29Å; E139-R141 PolarHBondContact O-N 3.22Å; E139-V142 PolarHBondContact O-N 2.9Å; E139-W143 WeakPolarHBondContact O-CB 3.35Å; E139-W143 PolarHBondContact O-N 3.17Å; E139-W186 HydrophobicContact CB-CZ2 4.41Å; E139-L190 VanDerWaalsContact OE2-CD1 3.25Å; E139-L190 WeakPolarHBondContact OE2-CD1 3.1Å
140	K	90	Very high	91.8	Very high	83 Å²	83	50.2 Å²	50.2	36%	0.361	25%	0.248	S	C	.	.	H	α-helix	trans	-58.9	-45.6	172.7	-177.3	-179.3	174.8	-173.8	0	110.2	E136 I138 W143 E144 W186	E136-K140 WeakPolarHBondContact O-CB 3.35Å; E136-K140 PolarHBondContact O-N 3.1Å; I138-K140 PolarHBondContact O-N 3.22Å; K140-W143 WeakPolarHBondContact O-CB 3.4Å; K140-W143 PolarHBondContact O-N 3.44Å; K140-W143 VanDerWaalsContact O-N 3.15Å; K140-E144 VanDerWaalsContact CE-OE1 3.26Å; K140-E144 WeakPolarHBondContact CE-OE1 3.06Å; K140-E144 WeakPolarHBondContact O-CG 3.23Å; K140-E144 PolarHBondContact O-N 3.07Å; K140-W186 HydrophobicContact CB-CZ2 4.26Å
141	R	94.6	Very high	91.6	Very high	114 Å²	114	53 Å²	53	43%	0.43	26%	0.26	S	S	.	.	H	α-helix	trans	-63.5	-42.5	177.7	-173.5	57.1	176.8	177.6	-0.7	113.2	L95 D137 I138 E139 W143 E144 L145	L95-R141 HydrophobicContact CD1-CB 4.31Å; L95-R141 HydrophobicContact CD1-CG 3.98Å; D137-R141 WeakPolarHBondContact O-CB 3.28Å; D137-R141 PolarHBondContact O-N 3.04Å; I138-R141 WeakPolarHBondContact O-CB 3.39Å; I138-R141 PolarHBondContact O-N 3.43Å; I138-R141 VanDerWaalsContact O-N 3.15Å; E139-R141 VanDerWaalsContact C-N 3.29Å; E139-R141 PolarHBondContact O-N 3.22Å; R141-W143 PolarHBondContact O-N 3.12Å; R141-E144 IonicContact NH1-OE2 2.83Å; R141-E144 PolarHBondContact O-N 3.43Å; R141-L145 HydrophobicContact CG-CD1 4.07Å; R141-L145 WeakPolarHBondContact O-CG 3.33Å; R141-L145 PolarHBondContact O-N 2.92Å
142	V	94.2	Very high	91.4	Very high	6 Å²	6	52.7 Å²	52.7	4%	0.036	26%	0.257	C	S	.	.	H	α-helix	trans	-55.7	-44.4	173.4	169.4	0	0	0	0	109.9	F88 I91 E92 L95 Y97 I138 E139 A146	F88-V142 HydrophobicContact CB-CG1 4.44Å; F88-V142 HydrophobicContact CD1-CG1 4.21Å; I91-V142 HydrophobicContact CB-CG1 4.26Å; I91-V142 HydrophobicContact CG2-CB 4.24Å; I91-V142 HydrophobicContact CG2-CG1 4.12Å; I91-V142 HydrophobicContact CG2-CG2 4.31Å; E92-V142 HydrophobicContact CG-CG1 4.02Å; E92-V142 HydrophobicContact CG-CG2 4.11Å; L95-V142 HydrophobicContact CD1-CG2 3.62Å; Y97-V142 HydrophobicContact CD1-CG2 4.13Å; I138-V142 HydrophobicContact CG2-CG2 4.36Å; I138-V142 WeakPolarHBondContact O-CG2 3.45Å; I138-V142 PolarHBondContact O-N 3.1Å; E139-V142 PolarHBondContact O-N 2.9Å; V142-A146 VanDerWaalsContact O-CB 3.32Å; V142-A146 WeakPolarHBondContact O-CB 3.47Å; V142-A146 PolarHBondContact O-N 2.82Å; V142-A146 VanDerWaalsContact O-N 3.07Å
143	W	91.7	Very high	91.3	Very high	36 Å²	36	51.6 Å²	51.6	14%	0.136	25%	0.252	C	S	.	.	H	α-helix	trans	-69.3	-44.4	-176.3	-163.3	86.4	0	0	0	112.6	F88 E139 K140 R141 A146 D147 K182 T185 W186	F88-W143 HydrophobicContact CE1-CB 4.48Å; F88-W143 AromaticContact CE1-CD1 3.34Å; F88-W143 HydrophobicContact CE1-CG 4.08Å; F88-W143 AromaticContact CE1-NE1 3.9Å; F88-W143 AromaticContact CZ-CD1 3.91Å; E139-W143 WeakPolarHBondContact O-CB 3.35Å; E139-W143 PolarHBondContact O-N 3.17Å; K140-W143 WeakPolarHBondContact O-CB 3.4Å; K140-W143 PolarHBondContact O-N 3.44Å; K140-W143 VanDerWaalsContact O-N 3.15Å; R141-W143 PolarHBondContact O-N 3.12Å; W143-A146 PolarHBondContact O-N 3.39Å; W143-D147 WeakPolarHBondContact O-CB 3.4Å; W143-D147 PolarHBondContact O-N 3.42Å; W143-K182 VanDerWaalsContact CH2-CA 3.43Å; W143-K182 HydrophobicContact CH2-CB 3.29Å; W143-K182 HydrophobicContact CH2-CD 4.35Å; W143-K182 HydrophobicContact CH2-CG 3.71Å; W143-K182 WeakPolarHBondContact CH2-O 3.21Å; W143-K182 WeakPolarHBondContact CZ2-O 3.33Å; W143-K182 HydrophobicContact CZ3-CB 3.6Å; W143-K182 HydrophobicContact CZ3-CG 4.28Å; W143-T185 VanDerWaalsContact CZ2-OG1 3.25Å; W143-T185 WeakPolarHBondContact CZ2-OG1 3.48Å; W143-W186 HydrophobicContact CB-CG 4.48Å; W143-W186 AromaticContact CD1-CD1 3.58Å; W143-W186 HydrophobicContact CD2-CB 3.75Å; W143-W186 HydrophobicContact CD2-CG 4.17Å; W143-W186 HydrophobicContact CE3-CB 4.14Å; W143-W186 HydrophobicContact CG-CB 4.1Å; W143-W186 AromaticContact CG-CD1 3.47Å; W143-W186 VanDerWaalsContact CG-CD1 3.47Å; W143-W186 HydrophobicContact CG-CG 4.06Å; W143-W186 HydrophobicContact CZ2-CB 4.2Å
144	E	92.7	Very high	91.1	Very high	60 Å²	60	47.7 Å²	47.7	28%	0.28	23%	0.233	S	C	.	.	H	α-helix	trans	-58.8	-48.3	175	-73.5	171.3	-177.1	0	0	112.2	K140 R141 A146 D147 Q148	K140-E144 VanDerWaalsContact CE-OE1 3.26Å; K140-E144 WeakPolarHBondContact CE-OE1 3.06Å; K140-E144 WeakPolarHBondContact O-CG 3.23Å; K140-E144 PolarHBondContact O-N 3.07Å; R141-E144 IonicContact NH1-OE2 2.83Å; R141-E144 PolarHBondContact O-N 3.43Å; E144-A146 VanDerWaalsContact C-N 3.34Å; E144-A146 PolarHBondContact O-N 3.24Å; E144-D147 PolarHBondContact O-N 2.65Å; E144-Q148 WeakPolarHBondContact O-CB 3.26Å; E144-Q148 VanDerWaalsContact O-CG 3.29Å; E144-Q148 WeakPolarHBondContact O-CG 2.87Å; E144-Q148 PolarHBondContact O-N 3.36Å
145	L	95.6	Very high	90.8	Very high	8 Å²	8	53.3 Å²	53.3	4%	0.042	25%	0.247	C	C	.	.	H	α-helix	trans	-66.1	-36.3	179.7	-72.8	168.4	0	0	0	112.4	V76 M77 I91 L95 R141 Q148 S149	V76-L145 HydrophobicContact CG1-CD2 3.8Å; M77-L145 HydrophobicContact CG-CD2 4.36Å; M77-L145 HydrophobicContact SD-CD1 3.81Å; I91-L145 HydrophobicContact CD1-CB 4.06Å; I91-L145 HydrophobicContact CG1-CB 4.23Å; I91-L145 HydrophobicContact CG2-CB 3.77Å; I91-L145 HydrophobicContact CG2-CD1 3.84Å; I91-L145 HydrophobicContact CG2-CG 4.48Å; L95-L145 HydrophobicContact CD1-CD1 4.25Å; L95-L145 HydrophobicContact CD2-CD1 4.26Å; R141-L145 HydrophobicContact CG-CD1 4.07Å; R141-L145 WeakPolarHBondContact O-CG 3.33Å; R141-L145 PolarHBondContact O-N 2.92Å; L145-Q148 PolarHBondContact O-N 2.97Å; L145-S149 WeakPolarHBondContact O-CB 3.46Å; L145-S149 PolarHBondContact O-N 3.35Å; L145-S149 PolarHBondContact O-OG 2.97Å
146	A	93	Very high	90.3	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-66.1	-38.6	174.5	0	0	0	0	0	112.1	R87 F88 I91 V142 W143 E144 S149 L150	R87-A146 HydrophobicContact CG-CB 4.06Å; F88-A146 HydrophobicContact CD1-CB 3.72Å; F88-A146 HydrophobicContact CE1-CB 3.61Å; F88-A146 HydrophobicContact CG-CB 4.44Å; F88-A146 HydrophobicContact CZ-CB 4.27Å; I91-A146 HydrophobicContact CG1-CB 4.32Å; V142-A146 VanDerWaalsContact O-CB 3.32Å; V142-A146 WeakPolarHBondContact O-CB 3.47Å; V142-A146 PolarHBondContact O-N 2.82Å; V142-A146 VanDerWaalsContact O-N 3.07Å; W143-A146 PolarHBondContact O-N 3.39Å; E144-A146 VanDerWaalsContact C-N 3.34Å; E144-A146 PolarHBondContact O-N 3.24Å; A146-S149 PolarHBondContact O-N 3.35Å; A146-L150 PolarHBondContact O-N 2.9Å
147	D	90.2	Very high	89.7	Confident	27 Å²	27	52.9 Å²	52.9	14%	0.144	25%	0.248	C	C	.	.	H	α-helix	trans	-71	-39.3	174.8	-179.1	79.6	0	0	0	112	W143 E144 S149 L150 Q151 K182	W143-D147 WeakPolarHBondContact O-CB 3.4Å; W143-D147 PolarHBondContact O-N 3.42Å; E144-D147 PolarHBondContact O-N 2.65Å; D147-S149 VanDerWaalsContact C-N 3.28Å; D147-S149 PolarHBondContact O-N 3.3Å; D147-L150 WeakPolarHBondContact O-CB 3.32Å; D147-L150 PolarHBondContact O-N 3.45Å; D147-L150 VanDerWaalsContact O-N 3.15Å; D147-Q151 WeakPolarHBondContact O-CG 3.5Å; D147-Q151 PolarHBondContact O-N 2.98Å; D147-Q151 PolarHBondContact OD2-NE2 2.91Å; D147-K182 VanDerWaalsContact CG-NZ 3.32Å; D147-K182 WeakPolarHBondContact OD1-CE 3.39Å; D147-K182 IonicContact OD1-NZ 3.54Å; D147-K182 PolarHBondContact OD1-NZ 3.02Å; D147-K182 WeakPolarHBondContact OD2-CE 3.26Å; D147-K182 IonicContact OD2-NZ 3.14Å; D147-K182 PolarHBondContact OD2-NZ 3.08Å
148	Q	92.8	Very high	88.9	Confident	77 Å²	77	55 Å²	55	36%	0.36	25%	0.246	S	C	.	.	H	α-helix	trans	-59.4	-40.1	171.6	-73.9	174.4	16.8	0	0	111.8	V76 E144 L145 L150 Q151 K152	V76-Q148 HydrophobicContact CG1-CB 4.36Å; E144-Q148 WeakPolarHBondContact O-CB 3.26Å; E144-Q148 VanDerWaalsContact O-CG 3.29Å; E144-Q148 WeakPolarHBondContact O-CG 2.87Å; E144-Q148 PolarHBondContact O-N 3.36Å; L145-Q148 PolarHBondContact O-N 2.97Å; Q148-L150 VanDerWaalsContact C-N 3.34Å; Q148-L150 PolarHBondContact O-N 3.12Å; Q148-Q151 PolarHBondContact O-N 3.36Å; Q148-K152 WeakPolarHBondContact O-CB 3.35Å; Q148-K152 PolarHBondContact O-N 3.04Å
149	S	93.5	Very high	87.6	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-63.2	-38.8	175.6	-58.4	0	0	0	0	112	Q74 V76 L145 A146 D147 T153	Q74-S149 WeakPolarHBondContact O-CA 3.39Å; Q74-S149 WeakPolarHBondContact O-CB 3.28Å; V76-S149 PolarHBondContact N-OG 3.46Å; V76-S149 VanDerWaalsContact N-OG 3.13Å; L145-S149 WeakPolarHBondContact O-CB 3.46Å; L145-S149 PolarHBondContact O-N 3.35Å; L145-S149 PolarHBondContact O-OG 2.97Å; A146-S149 PolarHBondContact O-N 3.35Å; D147-S149 VanDerWaalsContact C-N 3.28Å; D147-S149 PolarHBondContact O-N 3.3Å; S149-T153 PolarHBondContact O-N 3.11Å; S149-T153 PolarHBondContact O-OG1 2.81Å
150	L	89.4	Confident	85.5	Confident	21 Å²	21	62 Å²	62	11%	0.11	29%	0.29	C	S	.	.	H	α-helix	trans	-63.8	-46.2	171.7	-75.1	167.7	0	0	0	111.7	V67 I73 A146 D147 Q148 K152 T153 S154	V67-L150 HydrophobicContact CG1-CD2 4.26Å; V67-L150 WeakPolarHBondContact CG1-O 3.4Å; I73-L150 HydrophobicContact CD1-CD2 4.25Å; I73-L150 HydrophobicContact CD1-CG 4.25Å; I73-L150 HydrophobicContact CG2-CD2 3.63Å; A146-L150 PolarHBondContact O-N 2.9Å; D147-L150 WeakPolarHBondContact O-CB 3.32Å; D147-L150 PolarHBondContact O-N 3.45Å; D147-L150 VanDerWaalsContact O-N 3.15Å; Q148-L150 VanDerWaalsContact C-N 3.34Å; Q148-L150 PolarHBondContact O-N 3.12Å; L150-K152 PolarHBondContact O-N 3.46Å; L150-T153 PolarHBondContact O-N 3.15Å; L150-S154 WeakPolarHBondContact O-CB 3.48Å; L150-S154 PolarHBondContact O-N 3.15Å
151	Q	87.5	Confident	83.2	Confident	70 Å²	70	63.8 Å²	63.8	33%	0.327	31%	0.31	S	S	.	.	H	α-helix	trans	-63.5	-41.3	178.7	-68.3	-178.3	46.7	0	0	112.3	D147 Q148 T153 S154 R155	D147-Q151 WeakPolarHBondContact O-CG 3.5Å; D147-Q151 PolarHBondContact O-N 2.98Å; D147-Q151 PolarHBondContact OD2-NE2 2.91Å; Q148-Q151 PolarHBondContact O-N 3.36Å; Q151-T153 VanDerWaalsContact C-N 3.35Å; Q151-S154 WeakPolarHBondContact O-CB 3.42Å; Q151-S154 PolarHBondContact O-N 3.38Å; Q151-R155 WeakPolarHBondContact O-CG 3.5Å; Q151-R155 PolarHBondContact O-N 3.01Å
152	K	89.7	Confident	80.8	Confident	48 Å²	48	64.5 Å²	64.5	21%	0.209	33%	0.327	C	S	.	.	H	α-helix	trans	-56.9	-50.4	174	-178.1	-175.6	177.4	-164	0	110.4	C75 D79 Q148 L150 S154 R155 V156	C75-K152 PolarHBondContact O-NZ 3.42Å; C75-K152 VanDerWaalsContact O-NZ 3.12Å; D79-K152 IonicContact OD1-NZ 2.53Å; D79-K152 PolarHBondContact OD1-NZ 2.84Å; Q148-K152 WeakPolarHBondContact O-CB 3.35Å; Q148-K152 PolarHBondContact O-N 3.04Å; L150-K152 PolarHBondContact O-N 3.46Å; K152-S154 VanDerWaalsContact C-N 3.29Å; K152-S154 PolarHBondContact O-N 3.49Å; K152-R155 PolarHBondContact O-N 2.91Å; K152-V156 WeakPolarHBondContact O-CG2 3.39Å; K152-V156 PolarHBondContact O-N 3.26Å
153	T	89	Confident	78.3	Confident	0 Å²	0	72.8 Å²	72.8	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-61.2	-39.5	177.4	-49.7	0	0	0	0	111.6	V67 Y70 I73 Q74 W81 S149 L150 Q151 R155 V156 I157	V67-T153 HydrophobicContact CG1-CG2 4.21Å; Y70-T153 HydrophobicContact CD1-CG2 4.41Å; I73-T153 WeakPolarHBondContact CA-OG1 3.2Å; I73-T153 HydrophobicContact CB-CG2 4.38Å; I73-T153 WeakPolarHBondContact CB-OG1 3.4Å; I73-T153 HydrophobicContact CG2-CG2 4.4Å; Q74-T153 PolarHBondContact N-OG1 3.47Å; W81-T153 HydrophobicContact CZ3-CG2 4.07Å; S149-T153 PolarHBondContact O-N 3.11Å; S149-T153 PolarHBondContact O-OG1 2.81Å; L150-T153 PolarHBondContact O-N 3.15Å; Q151-T153 VanDerWaalsContact C-N 3.35Å; T153-R155 PolarHBondContact O-N 3.18Å; T153-V156 PolarHBondContact O-N 3.49Å; T153-I157 HydrophobicContact CG2-CD1 3.81Å; T153-I157 HydrophobicContact CG2-CG1 4.41Å; T153-I157 WeakPolarHBondContact O-CG1 3.43Å; T153-I157 PolarHBondContact O-N 3.25Å
154	S	85.1	Confident	75.7	Confident	20 Å²	20	77.3 Å²	77.3	14%	0.14	40%	0.402	C	S	.	.	H	α-helix	trans	-60.1	-44	175	-175.3	0	0	0	0	112.7	V67 L150 Q151 K152 I157 R158	V67-S154 VanDerWaalsContact CG2-CA 3.4Å; V67-S154 VanDerWaalsContact CG2-CB 3.49Å; L150-S154 WeakPolarHBondContact O-CB 3.48Å; L150-S154 PolarHBondContact O-N 3.15Å; Q151-S154 WeakPolarHBondContact O-CB 3.42Å; Q151-S154 PolarHBondContact O-N 3.38Å; K152-S154 VanDerWaalsContact C-N 3.29Å; K152-S154 PolarHBondContact O-N 3.49Å; S154-I157 PolarHBondContact O-N 3.42Å; S154-R158 VanDerWaalsContact O-CB 3.28Å; S154-R158 WeakPolarHBondContact O-CB 3.32Å; S154-R158 VanDerWaalsContact O-CG 3.26Å; S154-R158 WeakPolarHBondContact O-CG 3.4Å; S154-R158 PolarHBondContact O-N 3.09Å; S154-R158 PolarHBondContact OG-NE 3.16Å
155	R	83.9	Confident	73.7	Confident	170 Å²	170	77.3 Å²	77.3	64%	0.642	42%	0.419	S	S	*	.	H	α-helix	trans	-63.2	-44.7	174.7	-67.2	174	-168.1	172.4	3.8	110.7	Q151 K152 T153 I157 R158 A159	Q151-R155 WeakPolarHBondContact O-CG 3.5Å; Q151-R155 PolarHBondContact O-N 3.01Å; K152-R155 PolarHBondContact O-N 2.91Å; T153-R155 PolarHBondContact O-N 3.18Å; R155-I157 VanDerWaalsContact C-N 3.33Å; R155-I157 PolarHBondContact O-N 2.99Å; R155-R158 PolarHBondContact O-N 3.44Å; R155-A159 WeakPolarHBondContact O-CA 3.22Å; R155-A159 WeakPolarHBondContact O-CB 3.29Å; R155-A159 PolarHBondContact O-N 2.96Å
156	V	81.2	Confident	71.6	Confident	77 Å²	77	83.9 Å²	83.9	47%	0.467	46%	0.459	S	S	.	.	H	α-helix	trans	-60.3	-41.5	177.3	174.2	0	0	0	0	111.8	K152 T153	K152-V156 WeakPolarHBondContact O-CG2 3.39Å; K152-V156 PolarHBondContact O-N 3.26Å; T153-V156 PolarHBondContact O-N 3.49Å
157	I	76	Confident	69.7	Low	73 Å²	73	89.1 Å²	89.1	37%	0.374	49%	0.491	S	S	.	.	H	α-helix	trans	-72.6	-34.2	178.8	-67.5	168.2	0	0	0	112	V67 Y70 T153 S154 R155	V67-I157 HydrophobicContact CG2-CD1 4.19Å; Y70-I157 HydrophobicContact CD1-CD1 3.97Å; Y70-I157 HydrophobicContact CD2-CD1 3.86Å; Y70-I157 HydrophobicContact CE1-CD1 4.28Å; Y70-I157 HydrophobicContact CE2-CD1 4.16Å; Y70-I157 HydrophobicContact CG-CD1 3.77Å; T153-I157 HydrophobicContact CG2-CD1 3.81Å; T153-I157 HydrophobicContact CG2-CG1 4.41Å; T153-I157 WeakPolarHBondContact O-CG1 3.43Å; T153-I157 PolarHBondContact O-N 3.25Å; S154-I157 PolarHBondContact O-N 3.42Å; R155-I157 VanDerWaalsContact C-N 3.33Å; R155-I157 PolarHBondContact O-N 2.99Å
158	R	73.3	Confident	68.3	Low	175 Å²	175	91.1 Å²	91.1	66%	0.66	51%	0.507	S	S	*	.	H	α-helix	trans	-90	-18.2	-177.5	-68.4	178.6	-175	-172.8	2.4	114.5	S154 R155 E160	S154-R158 VanDerWaalsContact O-CB 3.28Å; S154-R158 WeakPolarHBondContact O-CB 3.32Å; S154-R158 VanDerWaalsContact O-CG 3.26Å; S154-R158 WeakPolarHBondContact O-CG 3.4Å; S154-R158 PolarHBondContact O-N 3.09Å; S154-R158 PolarHBondContact OG-NE 3.16Å; R155-R158 PolarHBondContact O-N 3.44Å; R158-E160 PolarHBondContact O-N 3.03Å
159	A	64.7	Low	66.9	Low	74 Å²	74	94 Å²	94	61%	0.612	53%	0.525	S	S	*	.			trans	-75.6	35.7	-173.5	0	0	0	0	0	114.3	R155	R155-A159 WeakPolarHBondContact O-CA 3.22Å; R155-A159 WeakPolarHBondContact O-CB 3.29Å; R155-A159 PolarHBondContact O-N 2.96Å
160	E	48.2	Very low	65.2	Low	163 Å²	163	96.8 Å²	96.8	76%	0.762	55%	0.548	S	S	*	.	S	Bend	trans	-50.7	136.1	143.7	-66.4	-89.6	130.1	0	0	107.8	R158 V162	R158-E160 PolarHBondContact O-N 3.03Å; E160-V162 PolarHBondContact O-N 3.06Å
161	P	41	Very low	63.7	Low	121 Å²	121	100.7 Å²	100.7	79%	0.786	57%	0.566	S	S	*	*	S	Bend	trans	-76.7	110.6	-152.2	29.2	-33.8	0	0	0	112.1
162	V	45	Very low	62.3	Low	129 Å²	129	103.3 Å²	103.3	78%	0.782	58%	0.58	S	S	*	*			trans	-139	107.3	162	-176	0	0	0	0	111.4	E160	E160-V162 PolarHBondContact O-N 3.06Å
163	Q	40.5	Very low	60.9	Low	179 Å²	179	106.1 Å²	106.1	84%	0.836	60%	0.597	S	S	*	*			trans	16.5	124.6	151	-68.7	161.4	-4.5	0	0	119.5	G165	Q163-G165 PolarHBondContact O-N 3.15Å
164	S	37.7	Very low	59.3	Low	131 Å²	131	111.2 Å²	111.2	92%	0.916	62%	0.622	S	S	*	*			trans	-40.5	113.9	165.1	50.8	0	0	0	0	113.4
165	G	50.6	Low	58.1	Low	61 Å²	61	112.8 Å²	112.8	63%	0.629	64%	0.636	S	S	*	*			trans	-121.7	122.7	172.3	0	0	0	0	0	110.7	Q163	Q163-G165 PolarHBondContact O-N 3.15Å
166	V	51.6	Low	57.1	Low	146 Å²	146	108.7 Å²	108.7	89%	0.885	63%	0.63	S	S	*	*			trans	-47.3	131.4	177.2	179.2	0	0	0	0	111.4	S168	V166-S168 PolarHBondContact O-N 3.18Å
167	T	53.4	Low	56.4	Low	110 Å²	110	109.8 Å²	109.8	68%	0.675	63%	0.632	S	S	*	*			trans	-81.5	115.8	-178.6	61.9	0	0	0	0	111.4
168	S	60.5	Low	55.8	Low	69 Å²	69	110.8 Å²	110.8	48%	0.483	64%	0.638	S	S	.	*			trans	-81	160.4	176.8	71.8	0	0	0	0	112.4	V166 A170 Q171	V166-S168 PolarHBondContact O-N 3.18Å; S168-A170 PolarHBondContact O-N 3.09Å; S168-Q171 WeakPolarHBondContact O-CB 3.49Å; S168-Q171 PolarHBondContact O-N 3.1Å
169	N	62	Low	55.6	Low	136 Å²	136	106 Å²	106	73%	0.727	63%	0.628	S	S	*	*	H	α-helix	trans	-51.9	-27.9	176.3	-74.1	-14.6	0	0	0	113.8	Q171 M172 N173	N169-Q171 VanDerWaalsContact C-N 3.35Å; N169-Q171 PolarHBondContact O-N 3.46Å; N169-M172 WeakPolarHBondContact O-CB 3.31Å; N169-M172 PolarHBondContact O-N 2.93Å; N169-N173 PolarHBondContact O-N 3.37Å
170	A	58	Low	55.7	Low	60 Å²	60	104.9 Å²	104.9	50%	0.496	62%	0.619	S	S	.	*	H	α-helix	trans	-64.4	-36.7	175	0	0	0	0	0	112.6	S168 M172 N173 M174	S168-A170 PolarHBondContact O-N 3.09Å; A170-M172 VanDerWaalsContact C-N 3.33Å; A170-N173 PolarHBondContact O-N 3.29Å; A170-M174 WeakPolarHBondContact O-CG 3.25Å; A170-M174 PolarHBondContact O-N 3.46Å; A170-M174 VanDerWaalsContact O-N 3.1Å
171	Q	59.3	Low	57	Low	102 Å²	102	100.2 Å²	100.2	48%	0.477	60%	0.604	S	S	.	*	H	α-helix	trans	-68.2	-33.6	175.7	-67.9	-177.6	-16.3	0	0	111.8	S168 N169 M174 A175	S168-Q171 WeakPolarHBondContact O-CB 3.49Å; S168-Q171 PolarHBondContact O-N 3.1Å; N169-Q171 VanDerWaalsContact C-N 3.35Å; N169-Q171 PolarHBondContact O-N 3.46Å; Q171-M174 PolarHBondContact O-N 2.82Å; Q171-A175 WeakPolarHBondContact O-CB 3.43Å; Q171-A175 PolarHBondContact O-N 3.38Å
172	M	57	Low	58.4	Low	126 Å²	126	96.8 Å²	96.8	62%	0.621	58%	0.577	S	S	*	*	H	α-helix	trans	-63.5	-47.3	174.6	-161.7	93	75.9	0	0	111.3	N169 A170 M174 A175 T176	N169-M172 WeakPolarHBondContact O-CB 3.31Å; N169-M172 PolarHBondContact O-N 2.93Å; A170-M172 VanDerWaalsContact C-N 3.33Å; M172-M174 VanDerWaalsContact C-N 3.34Å; M172-M174 PolarHBondContact O-N 2.89Å; M172-A175 WeakPolarHBondContact O-CB 3.02Å; M172-A175 PolarHBondContact O-N 3.03Å; M172-T176 PolarHBondContact O-N 3.04Å; M172-T176 PolarHBondContact O-OG1 3.04Å; M172-T176 VanDerWaalsContact O-OG1 3.1Å
173	N	59.7	Low	59.7	Low	106 Å²	106	94.7 Å²	94.7	57%	0.567	56%	0.56	S	S	*	*	H	α-helix	trans	-62.5	-40.3	177.6	-69.8	-12.6	0	0	0	112	N169 A170 T176 I177	N169-N173 PolarHBondContact O-N 3.37Å; A170-N173 PolarHBondContact O-N 3.29Å; N173-T176 PolarHBondContact O-N 3.03Å; N173-I177 WeakPolarHBondContact O-CG1 3.47Å; N173-I177 PolarHBondContact O-N 2.93Å
174	M	56.5	Low	61.4	Low	108 Å²	108	90.1 Å²	90.1	53%	0.532	54%	0.544	S	S	.	.	H	α-helix	trans	-65.2	-39.4	175.4	-70.5	-58.4	-66.5	0	0	112.3	A170 Q171 M172 T176 I177 L178	A170-M174 WeakPolarHBondContact O-CG 3.25Å; A170-M174 PolarHBondContact O-N 3.46Å; A170-M174 VanDerWaalsContact O-N 3.1Å; Q171-M174 PolarHBondContact O-N 2.82Å; M172-M174 VanDerWaalsContact C-N 3.34Å; M172-M174 PolarHBondContact O-N 2.89Å; M174-T176 VanDerWaalsContact C-N 3.31Å; M174-T176 PolarHBondContact O-N 3.21Å; M174-I177 PolarHBondContact O-N 3.4Å; M174-I177 HydrophobicContact SD-CD1 4.38Å; M174-L178 WeakPolarHBondContact O-CB 3.33Å; M174-L178 VanDerWaalsContact O-CG 3.22Å; M174-L178 WeakPolarHBondContact O-CG 3.5Å; M174-L178 PolarHBondContact O-N 3.35Å
175	A	59.7	Low	63.3	Low	52 Å²	52	87.2 Å²	87.2	43%	0.43	52%	0.521	S	S	.	.	H	α-helix	trans	-60.2	-42.7	173.7	0	0	0	0	0	111.2	Q171 M172 L178 T179	Q171-A175 WeakPolarHBondContact O-CB 3.43Å; Q171-A175 PolarHBondContact O-N 3.38Å; M172-A175 WeakPolarHBondContact O-CB 3.02Å; M172-A175 PolarHBondContact O-N 3.03Å; A175-L178 PolarHBondContact O-N 3.47Å; A175-T179 WeakPolarHBondContact O-CG2 3.22Å; A175-T179 PolarHBondContact O-N 3.18Å; A175-T179 PolarHBondContact O-OG1 2.87Å
176	T	64	Low	64.4	Low	85 Å²	85	85 Å²	85	52%	0.521	49%	0.494	S	S	.	.	H	α-helix	trans	-64.5	-41.8	176.6	-54.3	0	0	0	0	113.1	M172 N173 M174 L178 T179 A180	M172-T176 PolarHBondContact O-N 3.04Å; M172-T176 PolarHBondContact O-OG1 3.04Å; M172-T176 VanDerWaalsContact O-OG1 3.1Å; N173-T176 PolarHBondContact O-N 3.03Å; M174-T176 VanDerWaalsContact C-N 3.31Å; M174-T176 PolarHBondContact O-N 3.21Å; T176-L178 VanDerWaalsContact C-N 3.33Å; T176-L178 PolarHBondContact O-N 2.81Å; T176-T179 WeakPolarHBondContact CA-OG1 3.45Å; T176-T179 PolarHBondContact O-N 3.14Å; T176-T179 PolarHBondContact O-OG1 2.9Å; T176-A180 PolarHBondContact O-N 2.92Å
177	I	65.1	Low	65.5	Low	99 Å²	99	81.7 Å²	81.7	51%	0.508	47%	0.468	S	S	.	.	H	α-helix	trans	-65.7	-39.7	176.2	-66.6	165.2	0	0	0	110.8	N173 M174 A180 S181	N173-I177 WeakPolarHBondContact O-CG1 3.47Å; N173-I177 PolarHBondContact O-N 2.93Å; M174-I177 PolarHBondContact O-N 3.4Å; M174-I177 HydrophobicContact SD-CD1 4.38Å; I177-A180 PolarHBondContact O-N 3.33Å; I177-S181 WeakPolarHBondContact O-CB 3.36Å; I177-S181 PolarHBondContact O-N 3.29Å; I177-S181 PolarHBondContact O-OG 2.82Å
178	L	64.7	Low	66.5	Low	95 Å²	95	83.9 Å²	83.9	50%	0.497	46%	0.464	S	S	.	.	H	α-helix	trans	-66.4	-41.2	177.7	-72.8	170.1	0	0	0	111.5	M174 A175 T176 S181 K182	M174-L178 WeakPolarHBondContact O-CB 3.33Å; M174-L178 VanDerWaalsContact O-CG 3.22Å; M174-L178 WeakPolarHBondContact O-CG 3.5Å; M174-L178 PolarHBondContact O-N 3.35Å; A175-L178 PolarHBondContact O-N 3.47Å; T176-L178 VanDerWaalsContact C-N 3.33Å; T176-L178 PolarHBondContact O-N 2.81Å; L178-S181 PolarHBondContact O-N 3.14Å; L178-K182 WeakPolarHBondContact O-CB 3.16Å; L178-K182 WeakPolarHBondContact O-CG 3.4Å; L178-K182 PolarHBondContact O-N 3.37Å
179	T	68.4	Low	66.9	Low	73 Å²	73	85.2 Å²	85.2	45%	0.448	46%	0.459	S	S	.	.	H	α-helix	trans	-65.6	-40	175.9	53.4	0	0	0	0	111.9	A175 T176 K182 M183	A175-T179 WeakPolarHBondContact O-CG2 3.22Å; A175-T179 PolarHBondContact O-N 3.18Å; A175-T179 PolarHBondContact O-OG1 2.87Å; T176-T179 WeakPolarHBondContact CA-OG1 3.45Å; T176-T179 PolarHBondContact O-N 3.14Å; T176-T179 PolarHBondContact O-OG1 2.9Å; T179-K182 VanDerWaalsContact O-CB 3.3Å; T179-K182 WeakPolarHBondContact O-CB 3.47Å; T179-K182 PolarHBondContact O-N 2.86Å; T179-M183 WeakPolarHBondContact O-CG 3.36Å; T179-M183 PolarHBondContact O-N 3.29Å
180	A	67.2	Low	67.3	Low	52 Å²	52	79.9 Å²	79.9	43%	0.43	43%	0.43	S	S	.	.	H	α-helix	trans	-63	-46.4	174.2	0	0	0	0	0	112.5	T176 I177 K182 M183 V184	T176-A180 PolarHBondContact O-N 2.92Å; I177-A180 PolarHBondContact O-N 3.33Å; A180-K182 VanDerWaalsContact C-N 3.26Å; A180-K182 PolarHBondContact O-N 3.11Å; A180-M183 PolarHBondContact O-N 3.31Å; A180-V184 WeakPolarHBondContact O-CG2 3.35Å; A180-V184 PolarHBondContact O-N 2.93Å
181	S	74.3	Confident	68.1	Low	64 Å²	64	85.3 Å²	85.3	45%	0.448	44%	0.437	S	S	.	.	H	α-helix	trans	-58.3	-42.3	176	-60.5	0	0	0	0	111.5	I177 L178 V184 T185	I177-S181 WeakPolarHBondContact O-CB 3.36Å; I177-S181 PolarHBondContact O-N 3.29Å; I177-S181 PolarHBondContact O-OG 2.82Å; L178-S181 PolarHBondContact O-N 3.14Å; S181-V184 PolarHBondContact O-N 3.39Å; S181-T185 WeakPolarHBondContact O-CG2 3.49Å; S181-T185 PolarHBondContact O-N 3.41Å; S181-T185 VanDerWaalsContact O-N 3.11Å
182	K	71.5	Confident	68.6	Low	49 Å²	49	87.3 Å²	87.3	21%	0.213	44%	0.441	C	S	.	.	H	α-helix	trans	-59	-49.1	174.4	-86.3	-178.9	-174.4	-175.2	0	111.9	W143 D147 L178 T179 A180 V184 T185 W186	W143-K182 VanDerWaalsContact CH2-CA 3.43Å; W143-K182 HydrophobicContact CH2-CB 3.29Å; W143-K182 HydrophobicContact CH2-CD 4.35Å; W143-K182 HydrophobicContact CH2-CG 3.71Å; W143-K182 WeakPolarHBondContact CH2-O 3.21Å; W143-K182 WeakPolarHBondContact CZ2-O 3.33Å; W143-K182 HydrophobicContact CZ3-CB 3.6Å; W143-K182 HydrophobicContact CZ3-CG 4.28Å; D147-K182 VanDerWaalsContact CG-NZ 3.32Å; D147-K182 WeakPolarHBondContact OD1-CE 3.39Å; D147-K182 IonicContact OD1-NZ 3.54Å; D147-K182 PolarHBondContact OD1-NZ 3.02Å; D147-K182 WeakPolarHBondContact OD2-CE 3.26Å; D147-K182 IonicContact OD2-NZ 3.14Å; D147-K182 PolarHBondContact OD2-NZ 3.08Å; L178-K182 WeakPolarHBondContact O-CB 3.16Å; L178-K182 WeakPolarHBondContact O-CG 3.4Å; L178-K182 PolarHBondContact O-N 3.37Å; T179-K182 VanDerWaalsContact O-CB 3.3Å; T179-K182 WeakPolarHBondContact O-CB 3.47Å; T179-K182 PolarHBondContact O-N 2.86Å; A180-K182 VanDerWaalsContact C-N 3.26Å; A180-K182 PolarHBondContact O-N 3.11Å; K182-V184 VanDerWaalsContact C-N 3.33Å; K182-V184 PolarHBondContact O-N 3.31Å; K182-T185 PolarHBondContact O-N 2.89Å; K182-T185 VanDerWaalsContact O-N 3.08Å; K182-T185 PolarHBondContact O-OG1 3.15Å; K182-W186 PolarHBondContact O-N 3.39Å
183	M	72.6	Confident	69	Low	85 Å²	85	85.1 Å²	85.1	42%	0.419	43%	0.429	S	S	.	.	H	α-helix	trans	-58.1	-41	174.4	-72.4	-177.3	176.6	0	0	113	T179 A180 T185 W186 H187	T179-M183 WeakPolarHBondContact O-CG 3.36Å; T179-M183 PolarHBondContact O-N 3.29Å; A180-M183 PolarHBondContact O-N 3.31Å; M183-T185 VanDerWaalsContact C-N 3.31Å; M183-T185 PolarHBondContact O-N 2.93Å; M183-W186 WeakPolarHBondContact O-CB 3.47Å; M183-W186 PolarHBondContact O-N 3.5Å; M183-H187 PolarHBondContact O-CD2 3.37Å; M183-H187 VanDerWaalsContact O-CD2 3.31Å; M183-H187 PolarHBondContact O-N 2.9Å
184	V	76.1	Confident	69.3	Low	84 Å²	84	83.5 Å²	83.5	51%	0.509	42%	0.42	S	S	.	.	H	α-helix	trans	-61.8	-39.7	175.7	174.3	0	0	0	0	111.4	A180 S181 K182 H187 R188	A180-V184 WeakPolarHBondContact O-CG2 3.35Å; A180-V184 PolarHBondContact O-N 2.93Å; S181-V184 PolarHBondContact O-N 3.39Å; K182-V184 VanDerWaalsContact C-N 3.33Å; K182-V184 PolarHBondContact O-N 3.31Å; V184-H187 PolarHBondContact O-N 3.03Å; V184-R188 WeakPolarHBondContact O-CB 3.43Å; V184-R188 PolarHBondContact O-N 3.12Å
185	T	76.4	Confident	69.8	Low	69 Å²	69	82.3 Å²	82.3	42%	0.423	42%	0.419	S	S	.	.	H	α-helix	trans	-67	-37	176	65.6	0	0	0	0	112.8	W143 S181 K182 M183 R189	W143-T185 VanDerWaalsContact CZ2-OG1 3.25Å; W143-T185 WeakPolarHBondContact CZ2-OG1 3.48Å; S181-T185 WeakPolarHBondContact O-CG2 3.49Å; S181-T185 PolarHBondContact O-N 3.41Å; S181-T185 VanDerWaalsContact O-N 3.11Å; K182-T185 PolarHBondContact O-N 2.89Å; K182-T185 VanDerWaalsContact O-N 3.08Å; K182-T185 PolarHBondContact O-OG1 3.15Å; M183-T185 VanDerWaalsContact C-N 3.31Å; M183-T185 PolarHBondContact O-N 2.93Å; T185-R189 PolarHBondContact O-N 3.09Å
186	W	74.2	Confident	69.9	Low	16 Å²	16	86.7 Å²	86.7	6%	0.061	43%	0.428	C	S	.	.	H	α-helix	trans	-62.3	-52.2	171.9	171.4	78.1	0	0	0	111.1	E136 E139 K140 W143 K182 M183 R188 R189 L190	E136-W186 HydrophobicContact CG-CH2 3.73Å; E136-W186 HydrophobicContact CG-CZ2 4.2Å; E139-W186 HydrophobicContact CB-CZ2 4.41Å; K140-W186 HydrophobicContact CB-CZ2 4.26Å; W143-W186 HydrophobicContact CB-CG 4.48Å; W143-W186 AromaticContact CD1-CD1 3.58Å; W143-W186 HydrophobicContact CD2-CB 3.75Å; W143-W186 HydrophobicContact CD2-CG 4.17Å; W143-W186 HydrophobicContact CE3-CB 4.14Å; W143-W186 HydrophobicContact CG-CB 4.1Å; W143-W186 AromaticContact CG-CD1 3.47Å; W143-W186 VanDerWaalsContact CG-CD1 3.47Å; W143-W186 HydrophobicContact CG-CG 4.06Å; W143-W186 HydrophobicContact CZ2-CB 4.2Å; K182-W186 PolarHBondContact O-N 3.39Å; M183-W186 WeakPolarHBondContact O-CB 3.47Å; M183-W186 PolarHBondContact O-N 3.5Å; W186-R188 VanDerWaalsContact C-N 3.3Å; W186-R188 PolarHBondContact O-N 2.9Å; W186-R189 CarbonylContact O-C 3.44Å; W186-R189 WeakPolarHBondContact O-CA 3.35Å; W186-R189 WeakPolarHBondContact O-CB 3.39Å; W186-R189 PolarHBondContact O-N 3.22Å; W186-L190 HydrophobicContact CH2-CD2 3.83Å; W186-L190 HydrophobicContact CZ2-CD2 3.67Å; W186-L190 PolarHBondContact O-N 3.28Å
187	H	74.2	Confident	69.4	Low	76 Å²	76	85.4 Å²	85.4	35%	0.352	41%	0.414	S	S	.	.	H	α-helix	trans	-57.4	-41.8	176.8	-82.3	-70	0	0	0	112.3	M183 V184 R189 L190 R191	M183-H187 PolarHBondContact O-CD2 3.37Å; M183-H187 VanDerWaalsContact O-CD2 3.31Å; M183-H187 PolarHBondContact O-N 2.9Å; V184-H187 PolarHBondContact O-N 3.03Å; H187-R189 VanDerWaalsContact C-N 3.25Å; H187-R189 PolarHBondContact O-N 3.32Å; H187-L190 PolarHBondContact O-N 2.8Å; H187-R191 WeakPolarHBondContact O-CB 3.47Å; H187-R191 VanDerWaalsContact O-CG 3.28Å; H187-R191 WeakPolarHBondContact O-CG 3.4Å; H187-R191 PolarHBondContact O-N 2.84Å
188	R	75.3	Confident	69	Low	156 Å²	156	84.8 Å²	84.8	59%	0.589	41%	0.411	S	S	*	.	H	α-helix	trans	-62.7	-34.1	175.6	-169.1	-174.5	-65.4	169.5	-0.5	111.7	V184 W186 R192	V184-R188 WeakPolarHBondContact O-CB 3.43Å; V184-R188 PolarHBondContact O-N 3.12Å; W186-R188 VanDerWaalsContact C-N 3.3Å; W186-R188 PolarHBondContact O-N 2.9Å; R188-R192 VanDerWaalsContact O-CG 3.32Å; R188-R192 WeakPolarHBondContact O-CG 3.28Å; R188-R192 PolarHBondContact O-N 3.37Å; R188-R192 PolarHBondContact O-NE 2.94Å
189	R	69.2	Low	68.6	Low	97 Å²	97	89.4 Å²	89.4	37%	0.366	42%	0.422	S	S	.	.	H	α-helix	trans	-72.3	-49	175.1	-173.6	172.3	-175.9	163.2	-2.7	111.4	T185 W186 H187 R191 R192 H193	T185-R189 PolarHBondContact O-N 3.09Å; W186-R189 CarbonylContact O-C 3.44Å; W186-R189 WeakPolarHBondContact O-CA 3.35Å; W186-R189 WeakPolarHBondContact O-CB 3.39Å; W186-R189 PolarHBondContact O-N 3.22Å; H187-R189 VanDerWaalsContact C-N 3.25Å; H187-R189 PolarHBondContact O-N 3.32Å; R189-R191 PolarHBondContact O-N 2.97Å; R189-R192 WeakPolarHBondContact O-CB 3.27Å; R189-R192 PolarHBondContact O-N 3.44Å; R189-R192 VanDerWaalsContact O-N 3.1Å; R189-H193 PolarHBondContact O-CD2 3.06Å; R189-H193 PolarHBondContact O-N 3.01Å; R189-H193 VanDerWaalsContact O-N 3.09Å
190	L	70.9	Confident	68	Low	24 Å²	24	91.5 Å²	91.5	13%	0.126	43%	0.425	C	S	.	.	H	α-helix	trans	-56.3	-49	176.6	179.9	53.8	0	0	0	111.1	E139 W186 H187 R192 H193 L194	E139-L190 VanDerWaalsContact OE2-CD1 3.25Å; E139-L190 WeakPolarHBondContact OE2-CD1 3.1Å; W186-L190 HydrophobicContact CH2-CD2 3.83Å; W186-L190 HydrophobicContact CZ2-CD2 3.67Å; W186-L190 PolarHBondContact O-N 3.28Å; H187-L190 PolarHBondContact O-N 2.8Å; L190-R192 VanDerWaalsContact C-N 3.31Å; L190-R192 PolarHBondContact O-N 2.77Å; L190-H193 WeakPolarHBondContact O-CB 3.28Å; L190-H193 PolarHBondContact O-N 3.49Å; L190-L194 HydrophobicContact CD1-CD1 4.31Å; L190-L194 HydrophobicContact CD1-CG 4.3Å; L190-L194 HydrophobicContact CG-CD1 4.16Å; L190-L194 WeakPolarHBondContact O-CG 3.34Å; L190-L194 PolarHBondContact O-N 2.8Å
191	R	74.7	Confident	67.4	Low	173 Å²	173	92.4 Å²	92.4	65%	0.653	42%	0.421	S	S	*	.	H	α-helix	trans	-56.4	-41.4	174.7	-73.2	-176.6	-157.8	-159.4	5.6	112.5	H187 R189 H193 L194 T195	H187-R191 WeakPolarHBondContact O-CB 3.47Å; H187-R191 VanDerWaalsContact O-CG 3.28Å; H187-R191 WeakPolarHBondContact O-CG 3.4Å; H187-R191 PolarHBondContact O-N 2.84Å; R189-R191 PolarHBondContact O-N 2.97Å; R191-H193 VanDerWaalsContact C-N 3.31Å; R191-H193 PolarHBondContact O-N 3.06Å; R191-L194 PolarHBondContact O-N 2.83Å; R191-T195 WeakPolarHBondContact O-CB 3.45Å; R191-T195 VanDerWaalsContact O-CG2 3.29Å; R191-T195 WeakPolarHBondContact O-CG2 3.42Å; R191-T195 PolarHBondContact O-N 2.9Å; R191-T195 PolarHBondContact O-OG1 3.35Å; R191-T195 VanDerWaalsContact O-OG1 3.09Å
192	R	70.1	Confident	66.3	Low	144 Å²	144	93.8 Å²	93.8	54%	0.543	42%	0.423	S	S	.	.	H	α-helix	trans	-64.9	-33.3	176.6	-78.2	-176.9	-67.9	178.3	0.5	112.9	R188 R189 L190 T195 K196	R188-R192 VanDerWaalsContact O-CG 3.32Å; R188-R192 WeakPolarHBondContact O-CG 3.28Å; R188-R192 PolarHBondContact O-N 3.37Å; R188-R192 PolarHBondContact O-NE 2.94Å; R189-R192 WeakPolarHBondContact O-CB 3.27Å; R189-R192 PolarHBondContact O-N 3.44Å; R189-R192 VanDerWaalsContact O-N 3.1Å; L190-R192 VanDerWaalsContact C-N 3.31Å; L190-R192 PolarHBondContact O-N 2.77Å; R192-T195 WeakPolarHBondContact CA-OG1 3.25Å; R192-T195 PolarHBondContact O-OG1 2.84Å; R192-K196 WeakPolarHBondContact O-CB 3.49Å; R192-K196 VanDerWaalsContact O-CG 3.26Å; R192-K196 WeakPolarHBondContact O-CG 3.44Å; R192-K196 PolarHBondContact O-N 2.83Å; R192-K196 VanDerWaalsContact O-N 3.12Å
193	H	63.5	Low	65.6	Low	81 Å²	81	95.8 Å²	95.8	38%	0.375	44%	0.439	S	S	.	.	H	α-helix	trans	-69.7	-44.4	174.3	-75.5	-74.5	0	0	0	111	R189 L190 R191 R197	R189-H193 PolarHBondContact O-CD2 3.06Å; R189-H193 PolarHBondContact O-N 3.01Å; R189-H193 VanDerWaalsContact O-N 3.09Å; L190-H193 WeakPolarHBondContact O-CB 3.28Å; L190-H193 PolarHBondContact O-N 3.49Å; R191-H193 VanDerWaalsContact C-N 3.31Å; R191-H193 PolarHBondContact O-N 3.06Å; H193-R197 PolarHBondContact O-N 3.42Å
194	L	66.3	Low	64.8	Low	71 Å²	71	93.8 Å²	93.8	37%	0.372	44%	0.436	S	S	.	.	H	α-helix	trans	-64.2	-44.1	176.2	-61.7	173.7	0	0	0	112.2	L190 R191 R197 N198	L190-L194 HydrophobicContact CD1-CD1 4.31Å; L190-L194 HydrophobicContact CD1-CG 4.3Å; L190-L194 HydrophobicContact CG-CD1 4.16Å; L190-L194 WeakPolarHBondContact O-CG 3.34Å; L190-L194 PolarHBondContact O-N 2.8Å; R191-L194 PolarHBondContact O-N 2.83Å; L194-R197 WeakPolarHBondContact O-CB 3.24Å; L194-R197 PolarHBondContact O-N 3.48Å; L194-N198 PolarHBondContact O-N 3Å; L194-N198 PolarHBondContact O-OD1 2.92Å
195	T	67.8	Low	63.8	Low	83 Å²	83	93.9 Å²	93.9	51%	0.509	43%	0.433	S	S	.	.	H	α-helix	trans	-71	-36.8	-179.8	58.3	0	0	0	0	113.4	R191 R192 R197 N198 R199	R191-T195 WeakPolarHBondContact O-CB 3.45Å; R191-T195 VanDerWaalsContact O-CG2 3.29Å; R191-T195 WeakPolarHBondContact O-CG2 3.42Å; R191-T195 PolarHBondContact O-N 2.9Å; R191-T195 PolarHBondContact O-OG1 3.35Å; R191-T195 VanDerWaalsContact O-OG1 3.09Å; R192-T195 WeakPolarHBondContact CA-OG1 3.25Å; R192-T195 PolarHBondContact O-OG1 2.84Å; T195-R197 PolarHBondContact O-N 2.81Å; T195-N198 PolarHBondContact O-N 3.46Å; T195-R199 WeakPolarHBondContact O-CB 3.29Å; T195-R199 PolarHBondContact O-N 2.92Å
196	K	61	Low	62.5	Low	145 Å²	145	95.7 Å²	95.7	63%	0.63	44%	0.439	S	S	*	.	H	α-helix	trans	-60.6	-35.3	172	-79.8	-176.2	-176.9	-170.9	0	111.2	R192 K200	R192-K196 WeakPolarHBondContact O-CB 3.49Å; R192-K196 VanDerWaalsContact O-CG 3.26Å; R192-K196 WeakPolarHBondContact O-CG 3.44Å; R192-K196 PolarHBondContact O-N 2.83Å; R192-K196 VanDerWaalsContact O-N 3.12Å; K196-K200 WeakPolarHBondContact O-CG 3.47Å; K196-K200 PolarHBondContact O-N 3.37Å
197	R	54.2	Low	61.5	Low	57 Å²	57	96.9 Å²	96.9	22%	0.215	46%	0.456	C	S	.	.	H	α-helix	trans	-71.9	-48.5	175.8	-174.9	178.5	172.4	99.6	9	111.5	S130 H193 L194 T195 R199 K200 E201	S130-R197 PolarHBondContact O-NH1 2.87Å; H193-R197 PolarHBondContact O-N 3.42Å; L194-R197 WeakPolarHBondContact O-CB 3.24Å; L194-R197 PolarHBondContact O-N 3.48Å; T195-R197 PolarHBondContact O-N 2.81Å; R197-R199 PolarHBondContact O-N 3.15Å; R197-R199 VanDerWaalsContact O-N 3.15Å; R197-K200 CarbonylContact O-C 3.53Å; R197-K200 WeakPolarHBondContact O-CA 3.48Å; R197-K200 WeakPolarHBondContact O-CB 3.45Å; R197-K200 PolarHBondContact O-N 2.75Å; R197-E201 HydrophobicContact CG-CG 4.16Å; R197-E201 IonicContact CZ-OE1 3.58Å; R197-E201 IonicContact NE-OE1 3.73Å; R197-E201 PolarHBondContact NE-OE1 2.83Å; R197-E201 IonicContact NH2-OE1 2.68Å; R197-E201 PolarHBondContact NH2-OE1 2.72Å; R197-E201 WeakPolarHBondContact O-CB 3.48Å; R197-E201 PolarHBondContact O-N 2.88Å
198	N	56.2	Low	60.6	Low	86 Å²	86	99.7 Å²	99.7	46%	0.46	46%	0.464	S	S	.	.	H	α-helix	trans	-55.3	-37	173.9	-70.9	4.2	0	0	0	111.2	L194 T195 N202	L194-N198 PolarHBondContact O-N 3Å; L194-N198 PolarHBondContact O-OD1 2.92Å; T195-N198 PolarHBondContact O-N 3.46Å; N198-N202 WeakPolarHBondContact O-CB 3.32Å; N198-N202 PolarHBondContact O-N 2.89Å; N198-N202 PolarHBondContact O-ND2 2.82Å; N198-N202 VanDerWaalsContact O-ND2 3.15Å
199	R	56.1	Low	59.4	Low	193 Å²	193	97.9 Å²	97.9	73%	0.728	46%	0.463	S	S	*	.	H	α-helix	trans	-68.3	-41.8	173.7	-166.5	175.7	-178.8	175.2	0.5	112.5	T195 R197 V203	T195-R199 WeakPolarHBondContact O-CB 3.29Å; T195-R199 PolarHBondContact O-N 2.92Å; R197-R199 PolarHBondContact O-N 3.15Å; R197-R199 VanDerWaalsContact O-N 3.15Å; R199-V203 HydrophobicContact CG-CG2 4.37Å; R199-V203 VanDerWaalsContact O-CB 3.24Å; R199-V203 WeakPolarHBondContact O-CB 3.48Å; R199-V203 WeakPolarHBondContact O-CG2 3.1Å; R199-V203 PolarHBondContact O-N 3.39Å
200	K	56.6	Low	58.9	Low	116 Å²	116	97.2 Å²	97.2	50%	0.504	47%	0.47	S	S	.	.	H	α-helix	trans	-64.7	-43.4	175	-77.2	-179.7	173	-174.1	0	111.8	E112 K196 R197 V203 A204	E112-K200 IonicContact OE1-NZ 2.91Å; E112-K200 PolarHBondContact OE1-NZ 3.21Å; E112-K200 IonicContact OE2-NZ 3.77Å; E112-K200 PolarHBondContact OE2-NZ 2.78Å; K196-K200 WeakPolarHBondContact O-CG 3.47Å; K196-K200 PolarHBondContact O-N 3.37Å; R197-K200 CarbonylContact O-C 3.53Å; R197-K200 WeakPolarHBondContact O-CA 3.48Å; R197-K200 WeakPolarHBondContact O-CB 3.45Å; R197-K200 PolarHBondContact O-N 2.75Å; K200-V203 PolarHBondContact O-N 3.44Å; K200-A204 VanDerWaalsContact O-CB 3.25Å; K200-A204 WeakPolarHBondContact O-CB 3.46Å; K200-A204 PolarHBondContact O-N 2.9Å
201	E	54.3	Low	58.3	Low	72 Å²	72	99.6 Å²	99.6	34%	0.336	49%	0.493	S	S	.	.	H	α-helix	trans	-65.6	-47.3	176.1	-72.5	174.7	168.3	0	0	110.6	R197 V203 A204 I205	R197-E201 HydrophobicContact CG-CG 4.16Å; R197-E201 IonicContact CZ-OE1 3.58Å; R197-E201 IonicContact NE-OE1 3.73Å; R197-E201 PolarHBondContact NE-OE1 2.83Å; R197-E201 IonicContact NH2-OE1 2.68Å; R197-E201 PolarHBondContact NH2-OE1 2.72Å; R197-E201 WeakPolarHBondContact O-CB 3.48Å; R197-E201 PolarHBondContact O-N 2.88Å; E201-V203 PolarHBondContact O-N 3.42Å; E201-A204 CarbonylContact O-C 3.58Å; E201-A204 PolarHBondContact O-N 3.16Å; E201-A204 VanDerWaalsContact O-N 3.16Å; E201-I205 WeakPolarHBondContact O-CB 3.08Å; E201-I205 WeakPolarHBondContact O-CG1 3.47Å; E201-I205 PolarHBondContact O-N 2.79Å
202	N	51.1	Low	57.5	Low	93 Å²	93	98.7 Å²	98.7	50%	0.497	50%	0.5	S	S	.	.	H	α-helix	trans	-62.1	-41.1	175.4	-71.8	-20.3	0	0	0	111.8	N198 I205 L206	N198-N202 WeakPolarHBondContact O-CB 3.32Å; N198-N202 PolarHBondContact O-N 2.89Å; N198-N202 PolarHBondContact O-ND2 2.82Å; N198-N202 VanDerWaalsContact O-ND2 3.15Å; N202-I205 PolarHBondContact O-N 3.15Å; N202-L206 VanDerWaalsContact O-CB 3.27Å; N202-L206 WeakPolarHBondContact O-CB 3.46Å; N202-L206 WeakPolarHBondContact O-CD1 3.39Å; N202-L206 PolarHBondContact O-N 3.41Å
203	V	57.4	Low	56.9	Low	91 Å²	91	97.3 Å²	97.3	55%	0.552	51%	0.508	S	S	*	.	H	α-helix	trans	-67	-36.6	174.9	170.4	0	0	0	0	111.3	R199 K200 E201 G207	R199-V203 HydrophobicContact CG-CG2 4.37Å; R199-V203 VanDerWaalsContact O-CB 3.24Å; R199-V203 WeakPolarHBondContact O-CB 3.48Å; R199-V203 WeakPolarHBondContact O-CG2 3.1Å; R199-V203 PolarHBondContact O-N 3.39Å; K200-V203 PolarHBondContact O-N 3.44Å; E201-V203 PolarHBondContact O-N 3.42Å; V203-G207 PolarHBondContact O-N 2.77Å
204	A	55.7	Low	56.3	Low	42 Å²	42	98 Å²	98	35%	0.347	52%	0.517	S	S	.	.	H	α-helix	trans	-68.6	-40	174.6	0	0	0	0	0	112	K200 E201 G207 R208	K200-A204 VanDerWaalsContact O-CB 3.25Å; K200-A204 WeakPolarHBondContact O-CB 3.46Å; K200-A204 PolarHBondContact O-N 2.9Å; E201-A204 CarbonylContact O-C 3.58Å; E201-A204 PolarHBondContact O-N 3.16Å; E201-A204 VanDerWaalsContact O-N 3.16Å; A204-G207 PolarHBondContact O-N 3.43Å; A204-R208 WeakPolarHBondContact O-CB 3.2Å; A204-R208 VanDerWaalsContact O-CG 3.32Å; A204-R208 WeakPolarHBondContact O-CG 3.44Å; A204-R208 PolarHBondContact O-N 2.82Å
205	I	55.2	Low	55.4	Low	87 Å²	87	99.6 Å²	99.6	45%	0.446	53%	0.532	S	S	.	.	H	α-helix	trans	-65.4	-47.9	174.4	-67.4	163.5	0	0	0	110.1	E201 N202 G207 R208 M209	E201-I205 WeakPolarHBondContact O-CB 3.08Å; E201-I205 WeakPolarHBondContact O-CG1 3.47Å; E201-I205 PolarHBondContact O-N 2.79Å; N202-I205 PolarHBondContact O-N 3.15Å; I205-G207 VanDerWaalsContact C-N 3.33Å; I205-G207 PolarHBondContact O-N 3.48Å; I205-R208 PolarHBondContact O-N 2.95Å; I205-M209 HydrophobicContact CG2-SD 4.22Å; I205-M209 WeakPolarHBondContact O-CG 3.23Å; I205-M209 PolarHBondContact O-N 3.49Å
206	L	48.2	Very low	54.5	Low	106 Å²	106	107.4 Å²	107.4	56%	0.555	55%	0.552	S	S	*	*	H	α-helix	trans	-58.8	-43.2	173.6	-88.8	148.2	0	0	0	111.4	N202 R208 M209 V210	N202-L206 VanDerWaalsContact O-CB 3.27Å; N202-L206 WeakPolarHBondContact O-CB 3.46Å; N202-L206 WeakPolarHBondContact O-CD1 3.39Å; N202-L206 PolarHBondContact O-N 3.41Å; L206-R208 PolarHBondContact O-N 2.68Å; L206-M209 PolarHBondContact O-N 3.35Å; L206-V210 WeakPolarHBondContact O-CB 3.35Å; L206-V210 VanDerWaalsContact O-CG2 3.23Å; L206-V210 WeakPolarHBondContact O-CG2 3.33Å; L206-V210 PolarHBondContact O-N 3.13Å
207	G	53.2	Low	53.9	Low	41 Å²	41	111.5 Å²	111.5	42%	0.423	58%	0.578	S	S	.	*	H	α-helix	trans	-62.4	-40.8	175.5	0	0	0	0	0	112.8	V203 A204 I205 A211	V203-G207 PolarHBondContact O-N 2.77Å; A204-G207 PolarHBondContact O-N 3.43Å; I205-G207 VanDerWaalsContact C-N 3.33Å; I205-G207 PolarHBondContact O-N 3.48Å; G207-A211 WeakPolarHBondContact O-CB 3.37Å; G207-A211 PolarHBondContact O-N 3.2Å
208	R	55.6	Low	53.9	Low	136 Å²	136	114.2 Å²	114.2	51%	0.513	60%	0.597	S	S	.	*	H	α-helix	trans	-65.6	-42.2	173.6	-74.9	176.2	179.4	163.6	6.9	111.8	E129 A204 I205 L206 A211 L212	E129-R208 IonicContact OE1-CZ 3.03Å; E129-R208 IonicContact OE1-NH1 2.81Å; E129-R208 IonicContact OE1-NH2 3.9Å; E129-R208 PolarHBondContact OE1-NH2 3.3Å; A204-R208 WeakPolarHBondContact O-CB 3.2Å; A204-R208 VanDerWaalsContact O-CG 3.32Å; A204-R208 WeakPolarHBondContact O-CG 3.44Å; A204-R208 PolarHBondContact O-N 2.82Å; I205-R208 PolarHBondContact O-N 2.95Å; L206-R208 PolarHBondContact O-N 2.68Å; R208-A211 PolarHBondContact O-N 3.44Å; R208-L212 WeakPolarHBondContact O-CG 3.27Å; R208-L212 PolarHBondContact O-N 2.85Å; R208-L212 VanDerWaalsContact O-N 3.13Å
209	M	50.7	Low	53.7	Low	117 Å²	117	115.7 Å²	115.7	58%	0.576	60%	0.604	S	S	*	*	H	α-helix	trans	-63.9	-43.7	175.7	-73.3	-179	130.9	0	0	111.8	I205 L206 A211 L212 V213	I205-M209 HydrophobicContact CG2-SD 4.22Å; I205-M209 WeakPolarHBondContact O-CG 3.23Å; I205-M209 PolarHBondContact O-N 3.49Å; L206-M209 PolarHBondContact O-N 3.35Å; M209-A211 VanDerWaalsContact C-N 3.34Å; M209-A211 PolarHBondContact O-N 3.02Å; M209-L212 PolarHBondContact O-N 3.32Å; M209-V213 VanDerWaalsContact O-CG2 3.3Å; M209-V213 WeakPolarHBondContact O-CG2 3.08Å; M209-V213 PolarHBondContact O-N 3.02Å; M209-V213 VanDerWaalsContact O-N 3.16Å
210	V	58.4	Low	53.6	Low	84 Å²	84	111.4 Å²	111.4	51%	0.509	60%	0.597	S	S	.	*	H	α-helix	trans	-63.7	-39.9	175.6	172.8	0	0	0	0	111	L206 L212 V213 V214	L206-V210 WeakPolarHBondContact O-CB 3.35Å; L206-V210 VanDerWaalsContact O-CG2 3.23Å; L206-V210 WeakPolarHBondContact O-CG2 3.33Å; L206-V210 PolarHBondContact O-N 3.13Å; V210-L212 PolarHBondContact O-N 2.83Å; V210-V213 PolarHBondContact O-N 3.16Å; V210-V213 VanDerWaalsContact O-N 3.16Å; V210-V214 HydrophobicContact CG1-CG2 4.12Å; V210-V214 WeakPolarHBondContact O-CG2 3.3Å; V210-V214 PolarHBondContact O-N 3.16Å
211	A	58.5	Low	53.4	Low	74 Å²	74	111.1 Å²	111.1	61%	0.612	60%	0.602	S	S	*	*	H	α-helix	trans	-66.1	-23.6	176.5	0	0	0	0	0	113.9	G207 R208 M209	G207-A211 WeakPolarHBondContact O-CB 3.37Å; G207-A211 PolarHBondContact O-N 3.2Å; R208-A211 PolarHBondContact O-N 3.44Å; M209-A211 VanDerWaalsContact C-N 3.34Å; M209-A211 PolarHBondContact O-N 3.02Å
212	L	56.7	Low	53.4	Low	153 Å²	153	113.6 Å²	113.6	80%	0.801	62%	0.619	S	S	*	*	H	α-helix	trans	-84.4	-23.5	173.8	-67.4	172.6	0	0	0	112.9	R208 M209 V210	R208-L212 WeakPolarHBondContact O-CG 3.27Å; R208-L212 PolarHBondContact O-N 2.85Å; R208-L212 VanDerWaalsContact O-N 3.13Å; M209-L212 PolarHBondContact O-N 3.32Å; V210-L212 PolarHBondContact O-N 2.83Å
213	V	58.1	Low	53.5	Low	116 Å²	116	114.9 Å²	114.9	70%	0.703	63%	0.627	S	S	*	*	H	α-helix	trans	-96	-18.9	-176.3	176.8	0	0	0	0	112.7	M209 V210 P215	M209-V213 VanDerWaalsContact O-CG2 3.3Å; M209-V213 WeakPolarHBondContact O-CG2 3.08Å; M209-V213 PolarHBondContact O-N 3.02Å; M209-V213 VanDerWaalsContact O-N 3.16Å; V210-V213 PolarHBondContact O-N 3.16Å; V210-V213 VanDerWaalsContact O-N 3.16Å; V213-P215 WeakPolarHBondContact O-CD 3.4Å
214	V	50.3	Low	53.3	Low	94 Å²	94	116.6 Å²	116.6	57%	0.57	63%	0.632	S	S	*	*	S	Bend	trans	-90.7	102.3	173.1	-178.8	0	0	0	0	109.4	V210 R216	V210-V214 HydrophobicContact CG1-CG2 4.12Å; V210-V214 WeakPolarHBondContact O-CG2 3.3Å; V210-V214 PolarHBondContact O-N 3.16Å; V214-R216 PolarHBondContact O-N 3.32Å
215	P	47.8	Very low	53.1	Low	105 Å²	105	122.4 Å²	122.4	68%	0.682	65%	0.654	S	S	*	*			trans	-61.2	129.9	169.1	24.8	-31.3	0	0	0	108.8	V213 I217	V213-P215 WeakPolarHBondContact O-CD 3.4Å; P215-I217 PolarHBondContact O-N 3.21Å
216	R	48.6	Very low	52.9	Low	247 Å²	247	125.3 Å²	125.3	93%	0.932	67%	0.672	S	S	*	*			trans	-59.4	107	166.5	-76.4	179.1	169.5	168.2	-3.6	107.4	V214	V214-R216 PolarHBondContact O-N 3.32Å
217	I	48.5	Very low	53.3	Low	231 Å²	231	127.1 Å²	127.1	100%	1.185	68%	0.682	S	S	*	*			trans	-71.2	0	164.7	-55.5	174.9	0	0	0	108.1	P215	P215-I217 PolarHBondContact O-N 3.21Å

Retrieved 217 of 217 residues in 35.7 ms (Link to these results)

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