A0A3Q0KDS7_SCHMA Loading...

Thioredoxin domain-containing protein 9

AlphaFold DB , UniProt , Accession A0A3Q0KDS7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 268 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	47.6	Very low	49.7	Very low	231 Å²	231	144.6 Å²	144.6	100%	1.138	71%	0.713	S	S	*	*				0	-34.3	0	-69.5	-65.1	-144.9	0	0	115
2	G	49.9	Very low	49.6	Very low	61 Å²	61	139.7 Å²	139.7	63%	0.629	70%	0.697	S	S	*	*			trans	-85.7	-26.4	-174.9	0	0	0	0	0	117.6
3	A	50.3	Low	49.3	Very low	80 Å²	80	135.6 Å²	135.6	66%	0.661	69%	0.69	S	S	*	*	S	Bend	trans	-85.6	-30.1	-169.7	0	0	0	0	0	114.8
4	L	48.2	Very low	49.1	Very low	140 Å²	140	134.2 Å²	134.2	73%	0.733	68%	0.684	S	S	*	*	H	α-helix	trans	-74.7	-26.3	-179.9	-94.1	92	0	0	0	113.6	I6 Y7	L4-I6 VanDerWaalsContact C-N 3.26Å; L4-I6 PolarHBondContact O-N 3.47Å; L4-Y7 PolarHBondContact O-N 3.02Å
5	R	48.8	Very low	49.3	Very low	215 Å²	215	133.5 Å²	133.5	81%	0.811	68%	0.68	S	S	*	*	H	α-helix	trans	-68.3	-20.6	178.9	-104.2	-178	-177.5	-173.7	1.2	114.2
6	I	54.2	Low	49.2	Very low	117 Å²	117	134.4 Å²	134.4	60%	0.6	69%	0.686	S	S	*	*	H	α-helix	trans	-85.2	-27.1	-178	-62.2	172.8	0	0	0	111.1	L4	L4-I6 VanDerWaalsContact C-N 3.26Å; L4-I6 PolarHBondContact O-N 3.47Å
7	Y	52.4	Low	49.3	Very low	195 Å²	195	130.2 Å²	130.2	77%	0.765	68%	0.684	S	S	*	*	H	α-helix	trans	-75.5	-36.2	-177.7	-121.3	-94	0	0	0	113	L4	L4-Y7 PolarHBondContact O-N 3.02Å
8	Y	51.4	Low	49.4	Very low	182 Å²	182	134.2 Å²	134.2	71%	0.714	69%	0.689	S	S	*	*	H	α-helix	trans	-78.7	-26.4	-179.2	-86.3	-84.8	0	0	0	114.1	N10 A11 T12	Y8-N10 VanDerWaalsContact C-N 3.27Å; Y8-N10 PolarHBondContact O-N 3.47Å; Y8-A11 PolarHBondContact O-N 3.23Å; Y8-T12 PolarHBondContact O-OG1 2.99Å
9	R	49.6	Very low	49.3	Very low	208 Å²	208	134.6 Å²	134.6	79%	0.785	69%	0.691	S	S	*	*	H	α-helix	trans	-73.8	-18.1	178.5	-137	175.4	169.4	173.5	-3.2	113.6	T12	R9-T12 PolarHBondContact O-OG1 3.42Å
10	N	43.8	Very low	49	Very low	115 Å²	115	136.3 Å²	136.3	62%	0.615	70%	0.701	S	S	*	*	H	α-helix	trans	-92.2	-18.9	174.2	-84.6	-15.3	0	0	0	113.3	Y8	Y8-N10 VanDerWaalsContact C-N 3.27Å; Y8-N10 PolarHBondContact O-N 3.47Å
11	A	50	Low	48.8	Very low	47 Å²	47	135.2 Å²	135.2	39%	0.388	70%	0.703	S	S	.	*	H	α-helix	trans	-79.5	-31.1	178.6	0	0	0	0	0	112.8	Y8 S13 L14	Y8-A11 PolarHBondContact O-N 3.23Å; A11-S13 VanDerWaalsContact C-N 3.3Å; A11-S13 PolarHBondContact O-N 3.04Å; A11-L14 PolarHBondContact O-N 3.24Å
12	T	48.7	Very low	48.7	Very low	85 Å²	85	133 Å²	133	52%	0.521	69%	0.69	S	S	.	*	H	α-helix	trans	-71	-23.4	175.2	39.9	0	0	0	0	113.4	Y8 R9	Y8-T12 PolarHBondContact O-OG1 2.99Å; R9-T12 PolarHBondContact O-OG1 3.42Å
13	S	46	Very low	48.2	Very low	87 Å²	87	140.1 Å²	140.1	61%	0.608	70%	0.704	S	S	*	*	H	α-helix	trans	-73.9	-28	173.3	-178.5	0	0	0	0	113	A11	A11-S13 VanDerWaalsContact C-N 3.3Å; A11-S13 PolarHBondContact O-N 3.04Å
14	L	46.1	Very low	47.6	Very low	116 Å²	116	144 Å²	144	61%	0.607	71%	0.713	S	S	*	*	H	α-helix	trans	-83.9	-22	-178.3	-108.7	90.3	0	0	0	114.1	A11 Y18	A11-L14 PolarHBondContact O-N 3.24Å; L14-Y18 WeakPolarHBondContact O-CD2 3.47Å
15	I	52.6	Low	47.4	Very low	123 Å²	123	142 Å²	142	63%	0.631	71%	0.711	S	S	*	*	H	α-helix	trans	-86.7	-23	-175.6	-64.2	175.4	0	0	0	112	G17	I15-G17 PolarHBondContact O-N 3.5Å
16	I	48.3	Very low	46.7	Very low	149 Å²	149	140.8 Å²	140.8	76%	0.764	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76	-11.6	177.6	-65.6	171.2	0	0	0	112.3
17	G	50.4	Low	45.9	Very low	63 Å²	63	139.8 Å²	139.8	65%	0.649	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.3	-5.4	-178.1	0	0	0	0	0	117	I15	I15-G17 PolarHBondContact O-N 3.5Å
18	Y	50.3	Low	45.3	Very low	201 Å²	201	138.7 Å²	138.7	79%	0.788	72%	0.723	S	S	*	*	S	Bend	trans	-112.6	12.1	-167.3	-82.5	-85.7	0	0	0	116	L14	L14-Y18 WeakPolarHBondContact O-CD2 3.47Å
19	I	48.5	Very low	44.5	Very low	142 Å²	142	136 Å²	136	73%	0.728	73%	0.725	S	S	*	*	S	Bend	trans	-112.7	0.5	-174.9	-69.5	177.9	0	0	0	115.4
20	L	43.7	Very low	44	Very low	168 Å²	168	132.2 Å²	132.2	88%	0.88	73%	0.73	S	S	*	*			trans	-145.9	102.9	179.3	-73.8	167.6	0	0	0	113.3
21	P	44.2	Very low	43.7	Very low	115 Å²	115	135.6 Å²	135.6	75%	0.747	74%	0.74	S	S	*	*			trans	-97.8	138.2	159	33.1	-22.7	0	0	0	111.1
22	E	45.4	Very low	43	Very low	184 Å²	184	141.4 Å²	141.4	86%	0.86	76%	0.759	S	S	*	*			trans	70.4	95.4	155.3	-66.8	177.3	157	0	0	119
23	F	38.4	Very low	42.6	Very low	210 Å²	210	144.6 Å²	144.6	92%	0.921	77%	0.773	S	S	*	*			trans	-143.8	87.6	142.9	-119	-87.5	0	0	0	109.1
24	D	38.4	Very low	42.5	Very low	161 Å²	161	150.1 Å²	150.1	86%	0.861	79%	0.789	S	S	*	*			trans	-125.8	95.1	168	-159	10.4	0	0	0	108.5
25	S	43.4	Very low	42.8	Very low	99 Å²	99	151.2 Å²	151.2	69%	0.692	79%	0.794	S	S	*	*			trans	-164.8	88.9	157.9	47.5	0	0	0	0	109.2
26	M	34.4	Very low	42.3	Very low	189 Å²	189	149.8 Å²	149.8	93%	0.931	79%	0.792	S	S	*	*			trans	-87	105	166.5	-80.7	171.6	70	0	0	109.4
27	S	39.1	Very low	42.5	Very low	97 Å²	97	147.1 Å²	147.1	68%	0.678	78%	0.784	S	S	*	*			trans	-152.7	125.5	153.7	59.5	0	0	0	0	110.9
28	E	39.2	Very low	43.1	Very low	172 Å²	172	147.5 Å²	147.5	80%	0.804	77%	0.773	S	S	*	*			trans	80.4	97.6	150.1	-66.1	176.9	166.4	0	0	119.9
29	T	33.9	Very low	44.1	Very low	124 Å²	124	142.5 Å²	142.5	76%	0.761	76%	0.764	S	S	*	*				48.8	106.2	128.3	56.3	0	0	0	0	119
30	S	39.3	Very low	45.2	Very low	129 Å²	129	142.3 Å²	142.3	90%	0.902	76%	0.759	S	S	*	*				-171.6	140	127.7	-83.9	0	0	0	0	112.2
31	K	37.6	Very low	46.9	Very low	187 Å²	187	140 Å²	140	81%	0.813	74%	0.744	S	S	*	*			trans	-74.7	158.2	-177	-67.3	172.3	175.3	176.8	0	111.3
32	Q	35	Very low	48.5	Very low	169 Å²	169	140.9 Å²	140.9	79%	0.79	74%	0.736	S	S	*	*			trans	83.3	86.7	155.9	-67.6	145	-27.1	0	0	118.6
33	N	40.4	Very low	50.4	Low	151 Å²	151	136.3 Å²	136.3	81%	0.807	72%	0.717	S	S	*	*				164.8	88.8	119.3	-89	-16.5	0	0	0	110.5	I35	N33-I35 PolarHBondContact O-N 3.49Å
34	Q	44.6	Very low	52.8	Low	204 Å²	204	131.4 Å²	131.4	95%	0.953	70%	0.699	S	S	*	*			trans	-88.9	102.2	169.3	-71.1	-178.8	18.3	0	0	109.1
35	I	52.1	Low	55	Low	138 Å²	138	129.4 Å²	129.4	71%	0.708	69%	0.685	S	S	*	*			trans	-86.6	133.8	164.4	-57.7	157.1	0	0	0	105.5	N33 T37	N33-I35 PolarHBondContact O-N 3.49Å; I35-T37 PolarHBondContact O-N 3.34Å
36	P	42	Very low	57.1	Low	93 Å²	93	126.6 Å²	126.6	60%	0.604	67%	0.665	S	S	*	*			trans	-75.9	90.1	-162.3	30.2	-34.5	0	0	0	112.2	T38	P36-T38 PolarHBondContact O-N 2.95Å
37	T	53.4	Low	59.6	Low	94 Å²	94	122.7 Å²	122.7	58%	0.577	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.6	-19.8	173.9	50	0	0	0	0	113.2	I35 T39 H40 E41	I35-T37 PolarHBondContact O-N 3.34Å; T37-T39 PolarHBondContact O-N 3.38Å; T37-T39 VanDerWaalsContact O-N 3.16Å; T37-H40 PolarHBondContact O-N 2.93Å; T37-E41 PolarHBondContact O-N 2.9Å
38	T	62.5	Low	62.1	Low	70 Å²	70	123.7 Å²	123.7	43%	0.429	64%	0.642	S	S	.	*	H	α-helix	trans	-60	-27	-179.4	-48.5	0	0	0	0	114	P36 K42	P36-T38 PolarHBondContact O-N 2.95Å; T38-K42 HydrophobicContact CG2-CD 4.08Å; T38-K42 WeakPolarHBondContact O-CB 3.41Å; T38-K42 VanDerWaalsContact O-CG 3.27Å; T38-K42 WeakPolarHBondContact O-CG 3.49Å; T38-K42 PolarHBondContact O-N 2.98Å
39	T	69.8	Low	64.6	Low	97 Å²	97	119.4 Å²	119.4	60%	0.595	62%	0.624	S	S	*	*	H	α-helix	trans	-75.8	-37.1	-177.9	-42.2	0	0	0	0	112	T37 L43	T37-T39 PolarHBondContact O-N 3.38Å; T37-T39 VanDerWaalsContact O-N 3.16Å; T39-L43 WeakPolarHBondContact O-CB 3.33Å; T39-L43 PolarHBondContact O-N 3.48Å; T39-L43 VanDerWaalsContact O-N 3.17Å
40	H	71.9	Confident	67.3	Low	137 Å²	137	119.4 Å²	119.4	63%	0.634	61%	0.613	S	S	*	*	H	α-helix	trans	-72.7	-41.9	178.9	-85.2	-82.8	0	0	0	111.8	T37 L43 I44	T37-H40 PolarHBondContact O-N 2.93Å; H40-L43 WeakPolarHBondContact O-CB 3.4Å; H40-L43 PolarHBondContact O-N 3.33Å; H40-I44 VanDerWaalsContact O-CG1 3.31Å; H40-I44 WeakPolarHBondContact O-CG1 3.38Å; H40-I44 PolarHBondContact O-N 3.28Å
41	E	79.6	Confident	69.8	Low	121 Å²	121	116.9 Å²	116.9	57%	0.565	59%	0.592	S	S	*	*	H	α-helix	trans	-61	-47.2	177.2	-69.6	169.5	174.9	0	0	111.8	T37 L43 I44 E45	T37-E41 PolarHBondContact O-N 2.9Å; E41-L43 VanDerWaalsContact C-N 3.29Å; E41-L43 PolarHBondContact O-N 3.24Å; E41-I44 PolarHBondContact O-N 2.92Å; E41-E45 WeakPolarHBondContact O-CB 3.41Å; E41-E45 PolarHBondContact O-N 3.38Å
42	K	79.3	Confident	72.4	Confident	132 Å²	132	110 Å²	110	57%	0.574	57%	0.57	S	S	*	*	H	α-helix	trans	-62.7	-35.4	176	-73.1	177.1	178.7	179.2	0	112.8	T38 S46	T38-K42 HydrophobicContact CG2-CD 4.08Å; T38-K42 WeakPolarHBondContact O-CB 3.41Å; T38-K42 VanDerWaalsContact O-CG 3.27Å; T38-K42 WeakPolarHBondContact O-CG 3.49Å; T38-K42 PolarHBondContact O-N 2.98Å; K42-S46 WeakPolarHBondContact O-CB 3.45Å; K42-S46 PolarHBondContact O-N 2.83Å; K42-S46 PolarHBondContact O-OG 2.87Å
43	L	84.5	Confident	75.1	Confident	88 Å²	88	106.8 Å²	106.8	46%	0.461	56%	0.556	S	S	.	*	H	α-helix	trans	-65	-46.2	175.6	-176	66.9	0	0	0	110.5	T39 H40 E41 S46 Q47	T39-L43 WeakPolarHBondContact O-CB 3.33Å; T39-L43 PolarHBondContact O-N 3.48Å; T39-L43 VanDerWaalsContact O-N 3.17Å; H40-L43 WeakPolarHBondContact O-CB 3.4Å; H40-L43 PolarHBondContact O-N 3.33Å; E41-L43 VanDerWaalsContact C-N 3.29Å; E41-L43 PolarHBondContact O-N 3.24Å; L43-S46 PolarHBondContact O-N 2.92Å; L43-S46 PolarHBondContact O-OG 3.34Å; L43-Q47 WeakPolarHBondContact O-CG 3.29Å; L43-Q47 PolarHBondContact O-N 3.08Å
44	I	88.1	Confident	77.7	Confident	107 Å²	107	104.6 Å²	104.6	55%	0.549	54%	0.543	S	S	.	.	H	α-helix	trans	-61.1	-46.8	176.3	-65.8	162.8	0	0	0	110.4	H40 E41 S46 Q47 L48	H40-I44 VanDerWaalsContact O-CG1 3.31Å; H40-I44 WeakPolarHBondContact O-CG1 3.38Å; H40-I44 PolarHBondContact O-N 3.28Å; E41-I44 PolarHBondContact O-N 2.92Å; I44-S46 VanDerWaalsContact C-N 3.35Å; I44-S46 PolarHBondContact O-N 3.04Å; I44-Q47 PolarHBondContact O-N 3.4Å; I44-L48 WeakPolarHBondContact O-CB 3.48Å; I44-L48 PolarHBondContact O-N 2.86Å
45	E	84.2	Confident	80	Confident	119 Å²	119	100.1 Å²	100.1	56%	0.556	52%	0.524	S	S	*	.	H	α-helix	trans	-58.3	-46.3	176.8	-173.8	-176.9	-174.7	0	0	111.3	E41 Q47 L48 I49	E41-E45 WeakPolarHBondContact O-CB 3.41Å; E41-E45 PolarHBondContact O-N 3.38Å; E45-Q47 VanDerWaalsContact C-N 3.3Å; E45-Q47 PolarHBondContact O-N 3.24Å; E45-L48 WeakPolarHBondContact O-CB 3.39Å; E45-L48 PolarHBondContact O-N 2.85Å; E45-I49 HydrophobicContact CG-CD1 3.99Å; E45-I49 VanDerWaalsContact O-CG1 3.3Å; E45-I49 WeakPolarHBondContact O-CG1 3.32Å; E45-I49 PolarHBondContact O-N 3.37Å
46	S	87.8	Confident	81.9	Confident	40 Å²	40	99.1 Å²	99.1	28%	0.28	52%	0.517	S	S	.	.	H	α-helix	trans	-64.3	-34.8	177.8	77.5	0	0	0	0	112.9	K42 L43 I44 K50	K42-S46 WeakPolarHBondContact O-CB 3.45Å; K42-S46 PolarHBondContact O-N 2.83Å; K42-S46 PolarHBondContact O-OG 2.87Å; L43-S46 PolarHBondContact O-N 2.92Å; L43-S46 PolarHBondContact O-OG 3.34Å; I44-S46 VanDerWaalsContact C-N 3.35Å; I44-S46 PolarHBondContact O-N 3.04Å; S46-K50 WeakPolarHBondContact O-CB 3.47Å; S46-K50 WeakPolarHBondContact O-CG 3.47Å; S46-K50 PolarHBondContact O-N 3.29Å
47	Q	87.8	Confident	84.4	Confident	108 Å²	108	99.3 Å²	99.3	51%	0.505	51%	0.513	S	S	.	.	H	α-helix	trans	-70.3	-39.5	174.5	-73.8	176.5	-2	0	0	110.9	L43 I44 E45 K50 T51	L43-Q47 WeakPolarHBondContact O-CG 3.29Å; L43-Q47 PolarHBondContact O-N 3.08Å; I44-Q47 PolarHBondContact O-N 3.4Å; E45-Q47 VanDerWaalsContact C-N 3.3Å; E45-Q47 PolarHBondContact O-N 3.24Å; Q47-K50 PolarHBondContact O-N 3.16Å; Q47-T51 WeakPolarHBondContact O-CB 3.29Å; Q47-T51 VanDerWaalsContact O-CG2 3.31Å; Q47-T51 WeakPolarHBondContact O-CG2 3.38Å; Q47-T51 PolarHBondContact O-N 3.5Å; Q47-T51 PolarHBondContact O-OG1 3.31Å
48	L	90.8	Very high	86.3	Confident	118 Å²	118	97.4 Å²	97.4	62%	0.618	50%	0.501	S	S	*	.	H	α-helix	trans	-62.7	-43.8	175	-160.6	90.8	0	0	0	111.4	I44 E45 T51 A52	I44-L48 WeakPolarHBondContact O-CB 3.48Å; I44-L48 PolarHBondContact O-N 2.86Å; E45-L48 WeakPolarHBondContact O-CB 3.39Å; E45-L48 PolarHBondContact O-N 2.85Å; L48-T51 VanDerWaalsContact CA-OG1 3.3Å; L48-T51 WeakPolarHBondContact CA-OG1 3.23Å; L48-T51 PolarHBondContact O-N 2.95Å; L48-T51 PolarHBondContact O-OG1 2.92Å; L48-A52 WeakPolarHBondContact O-CB 3.31Å; L48-A52 PolarHBondContact O-N 3.49Å
49	I	91.8	Very high	87.7	Confident	81 Å²	81	98.5 Å²	98.5	42%	0.415	50%	0.504	S	S	.	.	H	α-helix	trans	-64.6	-45.1	177.1	-67.6	164.9	0	0	0	110.6	E45 T51 A52 Q53	E45-I49 HydrophobicContact CG-CD1 3.99Å; E45-I49 VanDerWaalsContact O-CG1 3.3Å; E45-I49 WeakPolarHBondContact O-CG1 3.32Å; E45-I49 PolarHBondContact O-N 3.37Å; I49-T51 PolarHBondContact O-N 3.45Å; I49-A52 PolarHBondContact O-N 3.37Å; I49-Q53 WeakPolarHBondContact O-CG 3.47Å; I49-Q53 PolarHBondContact O-N 2.8Å
50	K	91.5	Very high	88.8	Confident	125 Å²	125	98.7 Å²	98.7	54%	0.543	50%	0.501	S	S	.	.	H	α-helix	trans	-62.9	-41.8	177.4	-75.3	172.4	-178	-179.5	0	112.2	S46 Q47 Q53 I54	S46-K50 WeakPolarHBondContact O-CB 3.47Å; S46-K50 WeakPolarHBondContact O-CG 3.47Å; S46-K50 PolarHBondContact O-N 3.29Å; Q47-K50 PolarHBondContact O-N 3.16Å; K50-Q53 PolarHBondContact O-N 3.21Å; K50-I54 WeakPolarHBondContact O-CD1 3.34Å; K50-I54 VanDerWaalsContact O-CG1 3.25Å; K50-I54 WeakPolarHBondContact O-CG1 3.25Å; K50-I54 PolarHBondContact O-N 2.97Å
51	T	90.5	Very high	89.8	Confident	75 Å²	75	98.9 Å²	98.9	46%	0.46	50%	0.502	S	S	.	.	H	α-helix	trans	-66.1	-39.5	176.4	48.6	0	0	0	0	111.5	Q47 L48 I49 I54 L55	Q47-T51 WeakPolarHBondContact O-CB 3.29Å; Q47-T51 VanDerWaalsContact O-CG2 3.31Å; Q47-T51 WeakPolarHBondContact O-CG2 3.38Å; Q47-T51 PolarHBondContact O-N 3.5Å; Q47-T51 PolarHBondContact O-OG1 3.31Å; L48-T51 VanDerWaalsContact CA-OG1 3.3Å; L48-T51 WeakPolarHBondContact CA-OG1 3.23Å; L48-T51 PolarHBondContact O-N 2.95Å; L48-T51 PolarHBondContact O-OG1 2.92Å; I49-T51 PolarHBondContact O-N 3.45Å; T51-I54 PolarHBondContact O-N 3.46Å; T51-L55 VanDerWaalsContact O-CG 3.28Å; T51-L55 WeakPolarHBondContact O-CG 3.21Å; T51-L55 PolarHBondContact O-N 3.38Å
52	A	92.9	Very high	90.3	Very high	43 Å²	43	98.4 Å²	98.4	36%	0.355	50%	0.5	S	S	.	.	H	α-helix	trans	-61.2	-45.2	172.9	0	0	0	0	0	112.3	L48 I49 L55 E56	L48-A52 WeakPolarHBondContact O-CB 3.31Å; L48-A52 PolarHBondContact O-N 3.49Å; I49-A52 PolarHBondContact O-N 3.37Å; A52-L55 PolarHBondContact O-N 2.97Å; A52-E56 WeakPolarHBondContact O-CG 3.41Å; A52-E56 PolarHBondContact O-N 3.02Å
53	Q	92.4	Very high	90.8	Very high	102 Å²	102	96.2 Å²	96.2	48%	0.477	49%	0.494	S	S	.	.	H	α-helix	trans	-61.3	-46.6	176.9	-74.4	173	-21.4	0	0	112.3	I49 K50 L55 E56 D57	I49-Q53 WeakPolarHBondContact O-CG 3.47Å; I49-Q53 PolarHBondContact O-N 2.8Å; K50-Q53 PolarHBondContact O-N 3.21Å; Q53-L55 VanDerWaalsContact C-N 3.27Å; Q53-L55 PolarHBondContact O-N 3.08Å; Q53-E56 PolarHBondContact O-N 3.24Å; Q53-D57 VanDerWaalsContact O-CG 3.3Å; Q53-D57 PolarHBondContact O-N 3.36Å
54	I	93.8	Very high	91.1	Very high	105 Å²	105	96.8 Å²	96.8	54%	0.538	50%	0.497	S	S	.	.	H	α-helix	trans	-59.2	-42.7	176.5	-67.5	163.4	0	0	0	110.4	K50 T51 D57 T58	K50-I54 WeakPolarHBondContact O-CD1 3.34Å; K50-I54 VanDerWaalsContact O-CG1 3.25Å; K50-I54 WeakPolarHBondContact O-CG1 3.25Å; K50-I54 PolarHBondContact O-N 2.97Å; T51-I54 PolarHBondContact O-N 3.46Å; I54-D57 PolarHBondContact O-N 3.32Å; I54-T58 HydrophobicContact CG2-CG2 4.46Å; I54-T58 VanDerWaalsContact O-CG2 3.23Å; I54-T58 WeakPolarHBondContact O-CG2 3.33Å; I54-T58 PolarHBondContact O-N 2.86Å; I54-T58 PolarHBondContact O-OG1 3.39Å
55	L	93.2	Very high	91.1	Very high	109 Å²	109	100.1 Å²	100.1	57%	0.571	50%	0.503	S	S	*	.	H	α-helix	trans	-63.6	-45.2	176.7	-72.3	172.1	0	0	0	111.8	T51 A52 Q53 T58 L59	T51-L55 VanDerWaalsContact O-CG 3.28Å; T51-L55 WeakPolarHBondContact O-CG 3.21Å; T51-L55 PolarHBondContact O-N 3.38Å; A52-L55 PolarHBondContact O-N 2.97Å; Q53-L55 VanDerWaalsContact C-N 3.27Å; Q53-L55 PolarHBondContact O-N 3.08Å; L55-T58 PolarHBondContact O-N 2.98Å; L55-T58 PolarHBondContact O-OG1 3.33Å; L55-L59 VanDerWaalsContact O-CG 3.29Å; L55-L59 WeakPolarHBondContact O-CG 3.43Å; L55-L59 PolarHBondContact O-N 2.89Å
56	E	92.5	Very high	91.3	Very high	118 Å²	118	99.6 Å²	99.6	55%	0.551	50%	0.504	S	S	*	.	H	α-helix	trans	-56.9	-49.9	175.1	-74.7	177	179.4	0	0	111.2	A52 Q53 T58 L59 D60	A52-E56 WeakPolarHBondContact O-CG 3.41Å; A52-E56 PolarHBondContact O-N 3.02Å; Q53-E56 PolarHBondContact O-N 3.24Å; E56-T58 VanDerWaalsContact C-N 3.35Å; E56-T58 PolarHBondContact O-N 3.47Å; E56-L59 WeakPolarHBondContact O-CB 3.35Å; E56-L59 PolarHBondContact O-N 2.99Å; E56-L59 VanDerWaalsContact O-N 3.08Å; E56-D60 PolarHBondContact O-N 3.41Å
57	D	94	Very high	91.3	Very high	97 Å²	97	103.8 Å²	103.8	52%	0.519	52%	0.523	S	S	.	.	H	α-helix	trans	-59.5	-44.4	178.7	-67.5	-22.6	0	0	0	111.3	Q53 I54 L59 D60 E61	Q53-D57 VanDerWaalsContact O-CG 3.3Å; Q53-D57 PolarHBondContact O-N 3.36Å; I54-D57 PolarHBondContact O-N 3.32Å; D57-L59 VanDerWaalsContact C-N 3.29Å; D57-L59 PolarHBondContact O-N 3.48Å; D57-D60 PolarHBondContact O-N 2.87Å; D57-E61 WeakPolarHBondContact O-CG 3.48Å; D57-E61 PolarHBondContact O-N 3.48Å
58	T	94	Very high	91.4	Very high	53 Å²	53	103.5 Å²	103.5	33%	0.325	53%	0.525	S	S	.	.	H	α-helix	trans	-65.5	-31.3	176.8	63.5	0	0	0	0	113.5	I54 L55 E56 Q62	I54-T58 HydrophobicContact CG2-CG2 4.46Å; I54-T58 VanDerWaalsContact O-CG2 3.23Å; I54-T58 WeakPolarHBondContact O-CG2 3.33Å; I54-T58 PolarHBondContact O-N 2.86Å; I54-T58 PolarHBondContact O-OG1 3.39Å; L55-T58 PolarHBondContact O-N 2.98Å; L55-T58 PolarHBondContact O-OG1 3.33Å; E56-T58 VanDerWaalsContact C-N 3.35Å; E56-T58 PolarHBondContact O-N 3.47Å; T58-Q62 VanDerWaalsContact O-CG 3.29Å; T58-Q62 WeakPolarHBondContact O-CG 3.32Å; T58-Q62 PolarHBondContact O-N 3.33Å; T58-Q62 PolarHBondContact O-NE2 3.17Å
59	L	91.9	Very high	91.3	Very high	94 Å²	94	99.8 Å²	99.8	49%	0.492	51%	0.505	S	S	.	.	H	α-helix	trans	-73.5	-42.3	175.9	-73.1	172.5	0	0	0	110.6	L55 E56 D57 E61 Q62 I63	L55-L59 VanDerWaalsContact O-CG 3.29Å; L55-L59 WeakPolarHBondContact O-CG 3.43Å; L55-L59 PolarHBondContact O-N 2.89Å; E56-L59 WeakPolarHBondContact O-CB 3.35Å; E56-L59 PolarHBondContact O-N 2.99Å; E56-L59 VanDerWaalsContact O-N 3.08Å; D57-L59 VanDerWaalsContact C-N 3.29Å; D57-L59 PolarHBondContact O-N 3.48Å; L59-E61 VanDerWaalsContact C-N 3.33Å; L59-E61 PolarHBondContact O-N 3.4Å; L59-Q62 PolarHBondContact O-N 2.96Å; L59-Q62 VanDerWaalsContact O-N 3.16Å; L59-I63 VanDerWaalsContact O-CG1 3.28Å; L59-I63 WeakPolarHBondContact O-CG1 3.48Å; L59-I63 PolarHBondContact O-N 3.42Å
60	D	91.9	Very high	91.2	Very high	101 Å²	101	101.2 Å²	101.2	54%	0.54	51%	0.514	S	S	.	.	H	α-helix	trans	-61.5	-41.3	176.6	-79.6	-11.5	0	0	0	111.3	E56 D57 Q62 I63 N64	E56-D60 PolarHBondContact O-N 3.41Å; D57-D60 PolarHBondContact O-N 2.87Å; D60-Q62 PolarHBondContact O-N 2.77Å; D60-I63 PolarHBondContact O-N 3.17Å; D60-N64 WeakPolarHBondContact O-CB 3.39Å; D60-N64 PolarHBondContact O-N 3.45Å
61	E	93	Very high	91.1	Very high	140 Å²	140	101.9 Å²	101.9	65%	0.654	52%	0.523	S	S	*	.	H	α-helix	trans	-60.8	-43	172.5	-74.8	179.9	179	0	0	112.4	D57 L59 N64 R65	D57-E61 WeakPolarHBondContact O-CG 3.48Å; D57-E61 PolarHBondContact O-N 3.48Å; L59-E61 VanDerWaalsContact C-N 3.33Å; L59-E61 PolarHBondContact O-N 3.4Å; E61-N64 PolarHBondContact O-N 3.41Å; E61-R65 WeakPolarHBondContact O-CB 3.39Å; E61-R65 PolarHBondContact O-N 3.02Å
62	Q	89.6	Confident	91.1	Very high	112 Å²	112	105 Å²	105	52%	0.523	54%	0.537	S	S	.	.	H	α-helix	trans	-66	-41.1	176.9	-74.8	174	40.6	0	0	112.1	T58 L59 D60 R65 L66	T58-Q62 VanDerWaalsContact O-CG 3.29Å; T58-Q62 WeakPolarHBondContact O-CG 3.32Å; T58-Q62 PolarHBondContact O-N 3.33Å; T58-Q62 PolarHBondContact O-NE2 3.17Å; L59-Q62 PolarHBondContact O-N 2.96Å; L59-Q62 VanDerWaalsContact O-N 3.16Å; D60-Q62 PolarHBondContact O-N 2.77Å; Q62-R65 WeakPolarHBondContact O-CB 3.31Å; Q62-R65 PolarHBondContact O-N 3.37Å; Q62-L66 VanDerWaalsContact O-CG 3.31Å; Q62-L66 WeakPolarHBondContact O-CG 3.28Å; Q62-L66 PolarHBondContact O-N 3.28Å
63	I	90.5	Very high	90.9	Very high	85 Å²	85	105.9 Å²	105.9	44%	0.436	54%	0.536	S	S	.	.	H	α-helix	trans	-61.6	-48.2	175.8	-69.4	164.6	0	0	0	109.6	L59 D60 R65 L66 D67	L59-I63 VanDerWaalsContact O-CG1 3.28Å; L59-I63 WeakPolarHBondContact O-CG1 3.48Å; L59-I63 PolarHBondContact O-N 3.42Å; D60-I63 PolarHBondContact O-N 3.17Å; I63-R65 VanDerWaalsContact C-N 3.26Å; I63-R65 PolarHBondContact O-N 3.31Å; I63-L66 PolarHBondContact O-N 2.89Å; I63-D67 PolarHBondContact O-N 3.42Å
64	N	91.4	Very high	90.8	Very high	100 Å²	100	105.2 Å²	105.2	54%	0.535	54%	0.535	S	S	.	.	H	α-helix	trans	-61.4	-35.9	178	-171.5	32.8	0	0	0	112.2	D60 E61 N68	D60-N64 WeakPolarHBondContact O-CB 3.39Å; D60-N64 PolarHBondContact O-N 3.45Å; E61-N64 PolarHBondContact O-N 3.41Å; N64-N68 PolarHBondContact O-N 2.9Å; N64-N68 PolarHBondContact O-ND2 3.22Å; N64-N68 PolarHBondContact OD1-ND2 2.88Å
65	R	88.5	Confident	90.7	Very high	178 Å²	178	103.8 Å²	103.8	67%	0.672	53%	0.526	S	S	*	.	H	α-helix	trans	-64.6	-43.2	172.1	-178.5	-177.7	175.8	-175	-0.2	111.9	E61 Q62 I63 N68 L69	E61-R65 WeakPolarHBondContact O-CB 3.39Å; E61-R65 PolarHBondContact O-N 3.02Å; Q62-R65 WeakPolarHBondContact O-CB 3.31Å; Q62-R65 PolarHBondContact O-N 3.37Å; I63-R65 VanDerWaalsContact C-N 3.26Å; I63-R65 PolarHBondContact O-N 3.31Å; R65-N68 CarbonylContact O-C 3.46Å; R65-N68 PolarHBondContact O-N 2.93Å; R65-L69 PolarHBondContact O-N 3.47Å
66	L	87.4	Confident	90.7	Very high	108 Å²	108	101.2 Å²	101.2	57%	0.565	52%	0.521	S	S	*	.	H	α-helix	trans	-66.7	-38.1	178.9	-71.2	173.2	0	0	0	112.2	Q62 I63 N68 L69	Q62-L66 VanDerWaalsContact O-CG 3.31Å; Q62-L66 WeakPolarHBondContact O-CG 3.28Å; Q62-L66 PolarHBondContact O-N 3.28Å; I63-L66 PolarHBondContact O-N 2.89Å; L66-N68 PolarHBondContact O-N 3.47Å; L66-L69 HydrophobicContact CD2-CD1 3.94Å; L66-L69 WeakPolarHBondContact O-CD1 3.48Å; L66-L69 WeakPolarHBondContact O-CG 3.29Å
67	D	88.5	Confident	90.6	Very high	127 Å²	127	99.4 Å²	99.4	68%	0.679	51%	0.514	S	S	*	.	H	α-helix	trans	-69.3	-23.5	178.1	-74.1	-16.3	0	0	0	112.4	I63	I63-D67 PolarHBondContact O-N 3.42Å
68	N	89.4	Confident	90.7	Very high	102 Å²	102	102.2 Å²	102.2	55%	0.545	52%	0.517	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.1	31.7	179.9	-60.7	-64.7	0	0	0	113	N64 R65 L66 N70	N64-N68 PolarHBondContact O-N 2.9Å; N64-N68 PolarHBondContact O-ND2 3.22Å; N64-N68 PolarHBondContact OD1-ND2 2.88Å; R65-N68 CarbonylContact O-C 3.46Å; R65-N68 PolarHBondContact O-N 2.93Å; L66-N68 PolarHBondContact O-N 3.47Å; N68-N70 PolarHBondContact O-N 3.36Å
69	L	89.3	Confident	90.7	Very high	40 Å²	40	105.1 Å²	105.1	21%	0.209	53%	0.527	C	S	.	.			trans	-64.7	129.4	172.9	-69.8	165.8	0	0	0	110	R65 L66 D73 L74 I77	R65-L69 PolarHBondContact O-N 3.47Å; L66-L69 HydrophobicContact CD2-CD1 3.94Å; L66-L69 WeakPolarHBondContact O-CD1 3.48Å; L66-L69 WeakPolarHBondContact O-CG 3.29Å; L69-D73 HydrophobicContact CB-CB 4.16Å; L69-D73 HydrophobicContact CD2-CB 3.57Å; L69-D73 HydrophobicContact CG-CB 4.44Å; L69-L74 HydrophobicContact CB-CD2 4.16Å; L69-L74 HydrophobicContact CB-CG 4.25Å; L69-L74 HydrophobicContact CD1-CD2 4.06Å; L69-I77 HydrophobicContact CD1-CD1 3.76Å; L69-I77 HydrophobicContact CD2-CD1 4.25Å
70	N	89.3	Confident	90.9	Very high	112 Å²	112	106.2 Å²	106.2	60%	0.599	53%	0.533	S	S	*	.			trans	-81.2	169.4	172.4	-66.9	-29.3	0	0	0	110.7	N68 D72 D73 L74	N68-N70 PolarHBondContact O-N 3.36Å; N70-D72 PolarHBondContact O-N 2.88Å; N70-D73 PolarHBondContact N-OD2 2.87Å; N70-D73 WeakPolarHBondContact O-CB 3.28Å; N70-D73 PolarHBondContact O-N 3.29Å; N70-L74 PolarHBondContact O-N 2.9Å; N70-L74 VanDerWaalsContact O-N 3.08Å
71	D	89.6	Confident	91	Very high	138 Å²	138	107.7 Å²	107.7	74%	0.738	53%	0.531	S	S	*	.	H	α-helix	trans	-55.5	-38.9	179.1	-67.7	-27.9	0	0	0	112.9	D73 L74 E75	D71-D73 PolarHBondContact O-N 2.85Å; D71-L74 PolarHBondContact O-N 2.86Å; D71-E75 PolarHBondContact O-N 2.83Å
72	D	89.7	Confident	91.2	Very high	141 Å²	141	104.5 Å²	104.5	75%	0.754	52%	0.517	S	S	*	.	H	α-helix	trans	-64	-38.2	176.7	-70.9	-24.9	0	0	0	112.5	N70 E75 A76	N70-D72 PolarHBondContact O-N 2.88Å; D72-E75 PolarHBondContact O-N 3.21Å; D72-A76 WeakPolarHBondContact O-CB 3.41Å; D72-A76 PolarHBondContact O-N 2.89Å
73	D	89.8	Confident	91.5	Very high	61 Å²	61	106 Å²	106	33%	0.326	52%	0.522	S	S	.	.	H	α-helix	trans	-69.1	-40.2	177.9	-65.4	-53.1	0	0	0	110.9	L69 N70 D71 A76 I77	L69-D73 HydrophobicContact CB-CB 4.16Å; L69-D73 HydrophobicContact CD2-CB 3.57Å; L69-D73 HydrophobicContact CG-CB 4.44Å; N70-D73 PolarHBondContact N-OD2 2.87Å; N70-D73 WeakPolarHBondContact O-CB 3.28Å; N70-D73 PolarHBondContact O-N 3.29Å; D71-D73 PolarHBondContact O-N 2.85Å; D73-A76 PolarHBondContact O-N 2.92Å; D73-I77 VanDerWaalsContact O-CG1 3.29Å; D73-I77 WeakPolarHBondContact O-CG1 3.36Å; D73-I77 PolarHBondContact O-N 3.25Å
74	L	89.3	Confident	91.8	Very high	88 Å²	88	105.8 Å²	105.8	46%	0.461	52%	0.52	S	S	.	.	H	α-helix	trans	-62.8	-42.6	175.9	-68.5	174.8	0	0	0	111.5	L69 N70 D71 I77 R78	L69-L74 HydrophobicContact CB-CD2 4.16Å; L69-L74 HydrophobicContact CB-CG 4.25Å; L69-L74 HydrophobicContact CD1-CD2 4.06Å; N70-L74 PolarHBondContact O-N 2.9Å; N70-L74 VanDerWaalsContact O-N 3.08Å; D71-L74 PolarHBondContact O-N 2.86Å; L74-I77 PolarHBondContact O-N 3.33Å; L74-R78 WeakPolarHBondContact O-CB 3.3Å; L74-R78 PolarHBondContact O-N 3.18Å
75	E	92.1	Very high	92	Very high	76 Å²	76	106.2 Å²	106.2	36%	0.355	52%	0.519	S	S	.	.	H	α-helix	trans	-66.4	-38.7	176.3	-176.5	54.2	-148.1	0	0	111.5	D71 D72 I77 R78 Q79	D71-E75 PolarHBondContact O-N 2.83Å; D72-E75 PolarHBondContact O-N 3.21Å; E75-I77 PolarHBondContact O-N 3.29Å; E75-R78 WeakPolarHBondContact O-CB 3.44Å; E75-R78 PolarHBondContact O-N 3.43Å; E75-R78 WeakPolarHBondContact OE2-CD 3.43Å; E75-R78 IonicContact OE2-NH1 3.2Å; E75-R78 PolarHBondContact OE2-NH1 2.99Å; E75-Q79 WeakPolarHBondContact O-CG 3.31Å; E75-Q79 PolarHBondContact O-N 3.21Å; E75-Q79 WeakPolarHBondContact OE1-CG 3.48Å; E75-Q79 PolarHBondContact OE1-NE2 3.16Å
76	A	92.8	Very high	92.4	Very high	55 Å²	55	104.7 Å²	104.7	46%	0.455	52%	0.518	S	S	.	.	H	α-helix	trans	-61.9	-43.4	173.4	0	0	0	0	0	112.3	D72 D73 R78 Q79 L80	D72-A76 WeakPolarHBondContact O-CB 3.41Å; D72-A76 PolarHBondContact O-N 2.89Å; D73-A76 PolarHBondContact O-N 2.92Å; A76-R78 VanDerWaalsContact C-N 3.32Å; A76-R78 PolarHBondContact O-N 2.87Å; A76-Q79 PolarHBondContact O-N 3.37Å; A76-L80 WeakPolarHBondContact O-CB 3.46Å; A76-L80 PolarHBondContact O-N 3.42Å
77	I	91.6	Very high	92.8	Very high	80 Å²	80	104.4 Å²	104.4	41%	0.41	51%	0.514	S	S	.	.	H	α-helix	trans	-61.5	-42.7	174.9	-69.5	164.8	0	0	0	110.5	L69 D73 L74 E75 L80 R81	L69-I77 HydrophobicContact CD1-CD1 3.76Å; L69-I77 HydrophobicContact CD2-CD1 4.25Å; D73-I77 VanDerWaalsContact O-CG1 3.29Å; D73-I77 WeakPolarHBondContact O-CG1 3.36Å; D73-I77 PolarHBondContact O-N 3.25Å; L74-I77 PolarHBondContact O-N 3.33Å; E75-I77 PolarHBondContact O-N 3.29Å; I77-L80 PolarHBondContact O-N 3.4Å; I77-R81 WeakPolarHBondContact O-CB 3.3Å; I77-R81 PolarHBondContact O-N 3.48Å
78	R	94.3	Very high	93	Very high	155 Å²	155	103 Å²	103	59%	0.585	50%	0.503	S	S	*	.	H	α-helix	trans	-60.3	-49	177.1	-174.3	-171.9	-175.7	-178.1	3.2	111.3	L74 E75 A76 L80 R81 I82	L74-R78 WeakPolarHBondContact O-CB 3.3Å; L74-R78 PolarHBondContact O-N 3.18Å; E75-R78 WeakPolarHBondContact O-CB 3.44Å; E75-R78 PolarHBondContact O-N 3.43Å; E75-R78 WeakPolarHBondContact OE2-CD 3.43Å; E75-R78 IonicContact OE2-NH1 3.2Å; E75-R78 PolarHBondContact OE2-NH1 2.99Å; A76-R78 VanDerWaalsContact C-N 3.32Å; A76-R78 PolarHBondContact O-N 2.87Å; R78-L80 VanDerWaalsContact C-N 3.34Å; R78-L80 PolarHBondContact O-N 2.9Å; R78-R81 PolarHBondContact O-N 3.49Å; R78-I82 HydrophobicContact CG-CD1 4Å; R78-I82 VanDerWaalsContact O-CG1 3.32Å; R78-I82 WeakPolarHBondContact O-CG1 3.27Å; R78-I82 PolarHBondContact O-N 3.41Å
79	Q	95	Very high	93.3	Very high	115 Å²	115	101.9 Å²	101.9	54%	0.537	50%	0.503	S	S	.	.	H	α-helix	trans	-61.8	-42.5	178.2	-71	176.9	11.1	0	0	111.8	E75 A76 R81 I82 K83	E75-Q79 WeakPolarHBondContact O-CG 3.31Å; E75-Q79 PolarHBondContact O-N 3.21Å; E75-Q79 WeakPolarHBondContact OE1-CG 3.48Å; E75-Q79 PolarHBondContact OE1-NE2 3.16Å; A76-Q79 PolarHBondContact O-N 3.37Å; Q79-R81 VanDerWaalsContact C-N 3.33Å; Q79-R81 PolarHBondContact O-N 2.95Å; Q79-I82 PolarHBondContact O-N 3.27Å; Q79-K83 WeakPolarHBondContact O-CB 3.48Å; Q79-K83 PolarHBondContact O-N 3.4Å
80	L	95.2	Very high	93.7	Very high	117 Å²	117	106 Å²	106	61%	0.613	52%	0.519	S	S	*	.	H	α-helix	trans	-60.3	-44.1	175.1	-177.7	64	0	0	0	111.3	A76 I77 R78 K83 Q84	A76-L80 WeakPolarHBondContact O-CB 3.46Å; A76-L80 PolarHBondContact O-N 3.42Å; I77-L80 PolarHBondContact O-N 3.4Å; R78-L80 VanDerWaalsContact C-N 3.34Å; R78-L80 PolarHBondContact O-N 2.9Å; L80-K83 WeakPolarHBondContact O-CB 3.02Å; L80-K83 PolarHBondContact O-N 2.92Å; L80-Q84 PolarHBondContact O-N 2.91Å
81	R	95.4	Very high	93.9	Very high	132 Å²	132	103.8 Å²	103.8	50%	0.498	51%	0.505	S	S	.	.	H	α-helix	trans	-66.6	-43	179.4	-172.1	60.3	175.4	171.3	1.3	112.2	I77 R78 Q79 K83 Q84 M85	I77-R81 WeakPolarHBondContact O-CB 3.3Å; I77-R81 PolarHBondContact O-N 3.48Å; R78-R81 PolarHBondContact O-N 3.49Å; Q79-R81 VanDerWaalsContact C-N 3.33Å; Q79-R81 PolarHBondContact O-N 2.95Å; R81-K83 VanDerWaalsContact C-N 3.3Å; R81-K83 PolarHBondContact O-N 3.45Å; R81-Q84 PolarHBondContact O-N 3.23Å; R81-M85 HydrophobicContact CG-SD 4.37Å; R81-M85 WeakPolarHBondContact O-CG 3.4Å; R81-M85 PolarHBondContact O-N 3.48Å
82	I	96	Very high	94.1	Very high	72 Å²	72	103.6 Å²	103.6	37%	0.369	49%	0.494	S	S	.	.	H	α-helix	trans	-60.1	-43.4	174.6	-69.4	167.6	0	0	0	110.1	R78 Q79 M85 K86	R78-I82 HydrophobicContact CG-CD1 4Å; R78-I82 VanDerWaalsContact O-CG1 3.32Å; R78-I82 WeakPolarHBondContact O-CG1 3.27Å; R78-I82 PolarHBondContact O-N 3.41Å; Q79-I82 PolarHBondContact O-N 3.27Å; I82-M85 PolarHBondContact O-N 2.98Å; I82-K86 HydrophobicContact CG2-CD 4.17Å; I82-K86 WeakPolarHBondContact O-CG 3.44Å; I82-K86 PolarHBondContact O-N 3.26Å
83	K	96.9	Very high	94.4	Very high	143 Å²	143	100.4 Å²	100.4	62%	0.622	48%	0.483	S	S	*	.	H	α-helix	trans	-61.6	-46.9	176.5	-174.8	-178.7	177.9	-177.7	0	111.5	Q79 L80 R81 M85 K86 E87	Q79-K83 WeakPolarHBondContact O-CB 3.48Å; Q79-K83 PolarHBondContact O-N 3.4Å; L80-K83 WeakPolarHBondContact O-CB 3.02Å; L80-K83 PolarHBondContact O-N 2.92Å; R81-K83 VanDerWaalsContact C-N 3.3Å; R81-K83 PolarHBondContact O-N 3.45Å; K83-M85 PolarHBondContact O-N 2.89Å; K83-K86 PolarHBondContact O-N 2.92Å; K83-E87 PolarHBondContact O-N 2.95Å
84	Q	96.6	Very high	94.6	Very high	82 Å²	82	102 Å²	102	38%	0.383	49%	0.488	S	S	.	.	H	α-helix	trans	-58.9	-46.5	176.3	-178.2	-178.1	5.1	0	0	111.7	L80 R81 K86 E87 E88	L80-Q84 PolarHBondContact O-N 2.91Å; R81-Q84 PolarHBondContact O-N 3.23Å; Q84-K86 VanDerWaalsContact C-N 3.32Å; Q84-K86 PolarHBondContact O-N 3.11Å; Q84-E87 WeakPolarHBondContact O-CB 3.39Å; Q84-E87 PolarHBondContact O-N 3.37Å; Q84-E88 HydrophobicContact CG-CG 4.42Å; Q84-E88 WeakPolarHBondContact CG-OE1 3.32Å; Q84-E88 PolarHBondContact NE2-OE1 2.98Å; Q84-E88 WeakPolarHBondContact O-CG 3.37Å; Q84-E88 PolarHBondContact O-N 2.95Å
85	M	94.7	Very high	94.9	Very high	108 Å²	108	99.2 Å²	99.2	53%	0.532	47%	0.472	S	S	.	.	H	α-helix	trans	-61.3	-40.2	177.7	-75.9	173.1	44.8	0	0	112.4	R81 I82 K83 S89	R81-M85 HydrophobicContact CG-SD 4.37Å; R81-M85 WeakPolarHBondContact O-CG 3.4Å; R81-M85 PolarHBondContact O-N 3.48Å; I82-M85 PolarHBondContact O-N 2.98Å; K83-M85 PolarHBondContact O-N 2.89Å; M85-S89 VanDerWaalsContact O-CB 3.23Å; M85-S89 WeakPolarHBondContact O-CB 3.43Å; M85-S89 PolarHBondContact O-N 2.84Å
86	K	97	Very high	94.9	Very high	147 Å²	147	99.7 Å²	99.7	64%	0.639	48%	0.477	S	S	*	.	H	α-helix	trans	-63.8	-43.3	175.7	-75	176.9	178.9	-178.5	0	111.5	I82 K83 Q84 S89 K90	I82-K86 HydrophobicContact CG2-CD 4.17Å; I82-K86 WeakPolarHBondContact O-CG 3.44Å; I82-K86 PolarHBondContact O-N 3.26Å; K83-K86 PolarHBondContact O-N 2.92Å; Q84-K86 VanDerWaalsContact C-N 3.32Å; Q84-K86 PolarHBondContact O-N 3.11Å; K86-S89 PolarHBondContact O-N 3.37Å; K86-K90 WeakPolarHBondContact O-CB 3.43Å; K86-K90 PolarHBondContact O-N 3.26Å
87	E	96.6	Very high	95	Very high	102 Å²	102	101.3 Å²	101.3	48%	0.477	49%	0.49	S	S	.	.	H	α-helix	trans	-61.7	-49.6	176.7	-171.3	90.1	-154.9	0	0	111.4	K83 Q84 S89 K90 Q91	K83-E87 PolarHBondContact O-N 2.95Å; Q84-E87 WeakPolarHBondContact O-CB 3.39Å; Q84-E87 PolarHBondContact O-N 3.37Å; E87-S89 VanDerWaalsContact C-N 3.34Å; E87-S89 PolarHBondContact O-N 2.94Å; E87-K90 PolarHBondContact O-N 2.85Å; E87-Q91 WeakPolarHBondContact O-CG 3.38Å; E87-Q91 PolarHBondContact O-N 2.96Å
88	E	93.7	Very high	95	Very high	97 Å²	97	101 Å²	101	45%	0.453	49%	0.489	S	S	.	.	H	α-helix	trans	-63.1	-40.1	179	-72.1	174.5	-173.2	0	0	111.8	Q84 R92	Q84-E88 HydrophobicContact CG-CG 4.42Å; Q84-E88 WeakPolarHBondContact CG-OE1 3.32Å; Q84-E88 PolarHBondContact NE2-OE1 2.98Å; Q84-E88 WeakPolarHBondContact O-CG 3.37Å; Q84-E88 PolarHBondContact O-N 2.95Å; E88-R92 WeakPolarHBondContact O-CB 3.34Å; E88-R92 PolarHBondContact O-N 3.45Å
89	S	95.2	Very high	94.9	Very high	79 Å²	79	95.1 Å²	95.1	55%	0.552	48%	0.476	S	S	*	.	H	α-helix	trans	-63.6	-44.1	175.1	-177.8	0	0	0	0	111.8	M85 K86 E87 R92 S93	M85-S89 VanDerWaalsContact O-CB 3.23Å; M85-S89 WeakPolarHBondContact O-CB 3.43Å; M85-S89 PolarHBondContact O-N 2.84Å; K86-S89 PolarHBondContact O-N 3.37Å; E87-S89 VanDerWaalsContact C-N 3.34Å; E87-S89 PolarHBondContact O-N 2.94Å; S89-R92 PolarHBondContact O-N 3.31Å; S89-S93 PolarHBondContact O-N 3Å
90	K	96.3	Very high	94.9	Very high	126 Å²	126	89.8 Å²	89.8	55%	0.548	45%	0.451	S	S	.	.	H	α-helix	trans	-61.1	-50.1	175.8	-179.4	-177.6	169.9	-171.8	0	111.4	K86 E87 R92 S93 E94	K86-K90 WeakPolarHBondContact O-CB 3.43Å; K86-K90 PolarHBondContact O-N 3.26Å; E87-K90 PolarHBondContact O-N 2.85Å; K90-R92 VanDerWaalsContact C-N 3.3Å; K90-R92 PolarHBondContact O-N 3.31Å; K90-S93 WeakPolarHBondContact O-CB 3.23Å; K90-S93 PolarHBondContact O-N 3.43Å; K90-S93 VanDerWaalsContact O-N 3.11Å; K90-E94 WeakPolarHBondContact CE-OE1 3.4Å; K90-E94 IonicContact NZ-OE1 2.68Å; K90-E94 WeakPolarHBondContact O-CG 3.37Å; K90-E94 PolarHBondContact O-N 3.32Å
91	Q	94.3	Very high	94.8	Very high	65 Å²	65	84.9 Å²	84.9	30%	0.304	43%	0.429	S	S	.	.	H	α-helix	trans	-58.2	-43.4	177.5	-72.4	179.2	32.1	0	0	111.7	E87 S93 E94 W95	E87-Q91 WeakPolarHBondContact O-CG 3.38Å; E87-Q91 PolarHBondContact O-N 2.96Å; Q91-S93 VanDerWaalsContact C-N 3.34Å; Q91-S93 PolarHBondContact O-N 3.45Å; Q91-E94 PolarHBondContact O-N 3.45Å; Q91-W95 HydrophobicContact CB-CH2 4.3Å; Q91-W95 HydrophobicContact CB-CZ2 4.46Å; Q91-W95 HydrophobicContact CB-CZ3 4.44Å; Q91-W95 PolarHBondContact O-N 3.35Å
92	R	94	Very high	94.8	Very high	134 Å²	134	83.2 Å²	83.2	51%	0.506	43%	0.434	S	S	.	.	H	α-helix	trans	-60.8	-43.4	175.8	-174.1	-177.6	179.4	91.8	-1.7	111.8	E88 S89 K90 E94 W95 L96 I150	E88-R92 WeakPolarHBondContact O-CB 3.34Å; E88-R92 PolarHBondContact O-N 3.45Å; S89-R92 PolarHBondContact O-N 3.31Å; K90-R92 VanDerWaalsContact C-N 3.3Å; K90-R92 PolarHBondContact O-N 3.31Å; R92-E94 VanDerWaalsContact C-N 3.34Å; R92-W95 PolarHBondContact O-N 3.38Å; R92-L96 HydrophobicContact CG-CD1 4.24Å; R92-L96 VanDerWaalsContact O-CG 3.29Å; R92-L96 WeakPolarHBondContact O-CG 3.29Å; R92-L96 PolarHBondContact O-N 3.33Å; R92-I150 HydrophobicContact CG-CG2 4.46Å; R92-I150 VanDerWaalsContact NH1-CD1 3.28Å
93	S	95	Very high	94.9	Very high	75 Å²	75	81.4 Å²	81.4	52%	0.524	42%	0.422	S	S	.	.	H	α-helix	trans	-63.3	-40.2	176.6	-171.7	0	0	0	0	112.1	S89 K90 Q91 L96 A97	S89-S93 PolarHBondContact O-N 3Å; K90-S93 WeakPolarHBondContact O-CB 3.23Å; K90-S93 PolarHBondContact O-N 3.43Å; K90-S93 VanDerWaalsContact O-N 3.11Å; Q91-S93 VanDerWaalsContact C-N 3.34Å; Q91-S93 PolarHBondContact O-N 3.45Å; S93-L96 PolarHBondContact O-N 3.18Å; S93-A97 WeakPolarHBondContact O-CB 3.35Å; S93-A97 PolarHBondContact O-N 3.42Å
94	E	95.3	Very high	94.8	Very high	93 Å²	93	76.5 Å²	76.5	44%	0.435	41%	0.406	S	S	.	.	H	α-helix	trans	-62.4	-48.1	175.8	-71.8	172.1	-177.6	0	0	111	K90 Q91 R92 L96 A97 L98	K90-E94 WeakPolarHBondContact CE-OE1 3.4Å; K90-E94 IonicContact NZ-OE1 2.68Å; K90-E94 WeakPolarHBondContact O-CG 3.37Å; K90-E94 PolarHBondContact O-N 3.32Å; Q91-E94 PolarHBondContact O-N 3.45Å; R92-E94 VanDerWaalsContact C-N 3.34Å; E94-L96 PolarHBondContact O-N 3.04Å; E94-A97 PolarHBondContact O-N 3.21Å; E94-L98 VanDerWaalsContact O-CG 3.25Å; E94-L98 WeakPolarHBondContact O-CG 3.35Å; E94-L98 PolarHBondContact O-N 3.41Å
95	W	94.7	Very high	94.8	Very high	30 Å²	30	76.8 Å²	76.8	11%	0.114	41%	0.407	C	S	.	.	H	α-helix	trans	-59	-44.4	176	-68.3	-33.5	0	0	0	112.5	Q91 R92 A97 L98 G99 H100 I150 E151	Q91-W95 HydrophobicContact CB-CH2 4.3Å; Q91-W95 HydrophobicContact CB-CZ2 4.46Å; Q91-W95 HydrophobicContact CB-CZ3 4.44Å; Q91-W95 PolarHBondContact O-N 3.35Å; R92-W95 PolarHBondContact O-N 3.38Å; W95-A97 PolarHBondContact O-N 2.95Å; W95-L98 PolarHBondContact O-N 3.44Å; W95-G99 PolarHBondContact O-N 3.45Å; W95-H100 HydrophobicContact CB-CB 3.9Å; W95-H100 AromaticContact CD1-CE1 3.99Å; W95-H100 WeakPolarHBondContact O-CB 3.25Å; W95-H100 PolarHBondContact O-CD2 3.04Å; W95-H100 PolarHBondContact O-N 3.36Å; W95-I150 HydrophobicContact CB-CG2 3.71Å; W95-I150 HydrophobicContact CE3-CG2 4.15Å; W95-E151 HydrophobicContact CE3-CB 4.22Å; W95-E151 HydrophobicContact CH2-CB 3.75Å; W95-E151 HydrophobicContact CZ2-CB 4.02Å; W95-E151 HydrophobicContact CZ3-CB 3.85Å
96	L	93.7	Very high	94.8	Very high	87 Å²	87	72.2 Å²	72.2	46%	0.455	39%	0.385	S	S	.	.	H	α-helix	trans	-61.9	-42	176.7	-70.7	170.6	0	0	0	111.9	R92 S93 E94 L98 G99 I150	R92-L96 HydrophobicContact CG-CD1 4.24Å; R92-L96 VanDerWaalsContact O-CG 3.29Å; R92-L96 WeakPolarHBondContact O-CG 3.29Å; R92-L96 PolarHBondContact O-N 3.33Å; S93-L96 PolarHBondContact O-N 3.18Å; E94-L96 PolarHBondContact O-N 3.04Å; L96-L98 PolarHBondContact O-N 3.02Å; L96-G99 PolarHBondContact O-N 3.42Å; L96-I150 HydrophobicContact CD2-CD1 4.36Å; L96-I150 HydrophobicContact CD2-CG2 4.18Å; L96-I150 HydrophobicContact CG-CG2 4.24Å
97	A	93.7	Very high	94.6	Very high	88 Å²	88	69.4 Å²	69.4	73%	0.727	38%	0.384	S	S	*	.	H	α-helix	trans	-62.8	-31.5	176.4	0	0	0	0	0	112.6	S93 E94 W95 G99	S93-A97 WeakPolarHBondContact O-CB 3.35Å; S93-A97 PolarHBondContact O-N 3.42Å; E94-A97 PolarHBondContact O-N 3.21Å; W95-A97 PolarHBondContact O-N 2.95Å; A97-G99 PolarHBondContact O-N 3.48Å
98	L	92.4	Very high	94.4	Very high	75 Å²	75	66.8 Å²	66.8	39%	0.393	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-1.9	175.8	-63.5	172.1	0	0	0	113.3	E94 W95 L96 T118 R153	E94-L98 VanDerWaalsContact O-CG 3.25Å; E94-L98 WeakPolarHBondContact O-CG 3.35Å; E94-L98 PolarHBondContact O-N 3.41Å; W95-L98 PolarHBondContact O-N 3.44Å; L96-L98 PolarHBondContact O-N 3.02Å; L98-T118 HydrophobicContact CB-CG2 3.75Å; L98-T118 HydrophobicContact CD1-CG2 3.53Å; L98-T118 HydrophobicContact CD2-CG2 3.35Å; L98-T118 HydrophobicContact CG-CG2 3.66Å; L98-R153 VanDerWaalsContact O-CZ 3.23Å; L98-R153 PolarHBondContact O-NH1 3.37Å; L98-R153 PolarHBondContact O-NH2 2.83Å
99	G	91.7	Very high	94.3	Very high	31 Å²	31	64 Å²	64	32%	0.32	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.1	18.4	179	0	0	0	0	0	114.5	W95 L96 A97	W95-G99 PolarHBondContact O-N 3.45Å; L96-G99 PolarHBondContact O-N 3.42Å; A97-G99 PolarHBondContact O-N 3.48Å
100	H	94	Very high	94.3	Very high	2 Å²	2	68 Å²	68	1%	0.009	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	166.5	169.1	-62.9	-133.5	0	0	0	110.4	W95 V102 I150	W95-H100 HydrophobicContact CB-CB 3.9Å; W95-H100 AromaticContact CD1-CE1 3.99Å; W95-H100 WeakPolarHBondContact O-CB 3.25Å; W95-H100 PolarHBondContact O-CD2 3.04Å; W95-H100 PolarHBondContact O-N 3.36Å; H100-V102 PolarHBondContact O-N 2.97Å; H100-I150 HydrophobicContact CB-CG2 4.14Å; H100-I150 WeakPolarHBondContact CB-O 3.19Å; H100-I150 PolarHBondContact ND1-O 3.38Å
101	G	94.3	Very high	94.2	Very high	15 Å²	15	64.8 Å²	64.8	16%	0.155	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.9	-17.2	-178.1	0	0	0	0	0	114.5	A146 S147	G101-A146 CarbonylContact C-O 3.6Å; G101-A146 WeakPolarHBondContact CA-O 3.27Å; G101-A146 CarbonylContact O-C 3.55Å; G101-S147 WeakPolarHBondContact O-CA 3.12Å; G101-S147 PolarHBondContact O-N 2.99Å
102	V	95.4	Very high	94.2	Very high	97 Å²	97	62.1 Å²	62.1	59%	0.588	35%	0.347	S	S	*	.	S	Bend	trans	-125.1	132.7	-178.1	-176.9	0	0	0	0	109.9	H100 S104	H100-V102 PolarHBondContact O-N 2.97Å; V102-S104 PolarHBondContact O-N 3.32Å
103	Y	97.1	Very high	94.2	Very high	34 Å²	34	59.2 Å²	59.2	13%	0.133	34%	0.339	C	S	.	.			trans	-78.5	111.7	173.1	-177.9	-120.7	0	0	0	110.2	H126 D139 L142 M154 K156	Y103-H126 PolarHBondContact OH-ND1 3.2Å; Y103-D139 HydrophobicContact CE1-CB 3.96Å; Y103-D139 WeakPolarHBondContact CE1-OD1 3.21Å; Y103-D139 PolarHBondContact OH-OD1 3.38Å; Y103-L142 HydrophobicContact CD2-CB 3.92Å; Y103-L142 HydrophobicContact CE2-CB 3.76Å; Y103-L142 HydrophobicContact CE2-CD1 3.72Å; Y103-L142 HydrophobicContact CE2-CG 4.38Å; Y103-L142 HydrophobicContact CG-CB 4.37Å; Y103-M154 HydrophobicContact CD2-CB 4.09Å; Y103-K156 HydrophobicContact CE1-CD 3.82Å; Y103-K156 HydrophobicContact CE1-CG 4.27Å; Y103-K156 HydrophobicContact CE2-CB 4.04Å; Y103-K156 HydrophobicContact CE2-CG 4.44Å; Y103-K156 WeakPolarHBondContact OH-CB 3.4Å
104	S	95.5	Very high	94.1	Very high	40 Å²	40	59.6 Å²	59.6	28%	0.28	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	150.9	-172.5	51.8	0	0	0	0	112.7	V102 V155 K156	V102-S104 PolarHBondContact O-N 3.32Å; S104-V155 CarbonylContact O-C 3.57Å; S104-V155 VanDerWaalsContact O-CA 3.31Å; S104-V155 WeakPolarHBondContact O-CA 3.42Å; S104-K156 PolarHBondContact O-N 3.19Å
105	E	96.4	Very high	94.1	Very high	87 Å²	87	55.3 Å²	55.3	41%	0.407	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	131.5	173.5	-175.2	179.1	155.1	0	0	110.5	Y128 K156 K161	E105-Y128 HydrophobicContact CG-CE1 4.42Å; E105-Y128 PolarHBondContact OE1-OH 2.93Å; E105-Y128 PolarHBondContact OE2-OH 3.16Å; E105-Y128 VanDerWaalsContact OE2-OH 3.11Å; E105-K156 CarbonylContact C-O 3.58Å; E105-K156 WeakPolarHBondContact CA-O 3.29Å; E105-K156 HydrophobicContact CB-CG 3.95Å; E105-K156 HydrophobicContact CG-CG 4.2Å; E105-K161 IonicContact OE1-NZ 3.12Å; E105-K161 PolarHBondContact OE1-NZ 3.41Å
106	L	95.8	Very high	94	Very high	13 Å²	13	54.5 Å²	54.5	7%	0.068	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	127.1	172	-60.3	179.6	0	0	0	109.6	D111 F112 A115 V155 K156	L106-D111 HydrophobicContact CB-CB 4.26Å; L106-D111 HydrophobicContact CD2-CB 3.93Å; L106-F112 HydrophobicContact CD1-CB 4.01Å; L106-F112 HydrophobicContact CD1-CD2 4.47Å; L106-A115 HydrophobicContact CD1-CB 4.5Å; L106-V155 HydrophobicContact CD1-CB 3.96Å; L106-V155 HydrophobicContact CD1-CG1 4.28Å; L106-V155 HydrophobicContact CD1-CG2 3.84Å; L106-V155 HydrophobicContact CD2-CB 4.5Å; L106-V155 HydrophobicContact CD2-CG1 4.14Å; L106-V155 HydrophobicContact CG-CB 3.98Å; L106-V155 HydrophobicContact CG-CG1 4.17Å; L106-V155 HydrophobicContact CG-CG2 4.42Å; L106-K156 PolarHBondContact N-O 3.45Å
107	S	91.7	Very high	94	Very high	88 Å²	88	57.3 Å²	57.3	62%	0.615	33%	0.326	S	S	*	.			trans	-79.2	-34.8	-177.2	71.6	0	0	0	0	112.8	D111	S107-D111 PolarHBondContact N-OD2 2.84Å; S107-D111 PolarHBondContact OG-OD2 3.02Å
108	S	92.2	Very high	94	Very high	46 Å²	46	55.3 Å²	55.3	32%	0.322	30%	0.304	S	S	.	.	S	Bend	trans	-128.7	154	-173.6	-172.3	0	0	0	0	112.1	K110 D111	S108-K110 PolarHBondContact O-N 2.62Å; S108-K110 PolarHBondContact OG-N 3.44Å; S108-D111 PolarHBondContact N-OD2 3.28Å; S108-D111 VanDerWaalsContact N-OD2 3.11Å; S108-D111 WeakPolarHBondContact O-CB 3.29Å; S108-D111 PolarHBondContact O-N 2.96Å; S108-D111 VanDerWaalsContact O-N 3.11Å
109	E	92.7	Very high	94	Very high	40 Å²	40	52 Å²	52	19%	0.187	29%	0.288	C	S	.	.	H	α-helix	trans	-60.9	-28.4	171.1	-58.2	-178.2	145.9	0	0	112.7	D111 F112 F113 A162 F164 L165	E109-D111 VanDerWaalsContact C-N 3.29Å; E109-D111 PolarHBondContact O-N 3.25Å; E109-F112 WeakPolarHBondContact O-CB 3.45Å; E109-F112 PolarHBondContact O-N 3.47Å; E109-F113 WeakPolarHBondContact O-CD2 3.44Å; E109-F113 PolarHBondContact O-N 2.93Å; E109-A162 HydrophobicContact CG-CB 3.71Å; E109-A162 WeakPolarHBondContact OE1-CA 3.33Å; E109-F164 WeakPolarHBondContact OE1-CA 3.38Å; E109-F164 VanDerWaalsContact OE1-CB 3.31Å; E109-F164 WeakPolarHBondContact OE1-CB 3.43Å; E109-F164 PolarHBondContact OE1-N 3.3Å; E109-F164 WeakPolarHBondContact OE2-CB 3.37Å; E109-L165 HydrophobicContact CB-CD1 3.88Å; E109-L165 HydrophobicContact CB-CG 4.07Å; E109-L165 HydrophobicContact CG-CD1 3.92Å; E109-L165 HydrophobicContact CG-CG 4Å; E109-L165 PolarHBondContact OE1-N 3.44Å; E109-L165 VanDerWaalsContact OE1-N 3.12Å
110	K	93.8	Very high	93.8	Very high	161 Å²	161	54.3 Å²	54.3	70%	0.7	30%	0.299	S	S	*	.	H	α-helix	trans	-64.8	-36.2	175.4	-66.3	-176.8	-178.6	-179.7	0	111.8	S108 F112 F113 T114	S108-K110 PolarHBondContact O-N 2.62Å; S108-K110 PolarHBondContact OG-N 3.44Å; K110-F112 VanDerWaalsContact C-N 3.27Å; K110-F112 PolarHBondContact O-N 2.99Å; K110-F113 PolarHBondContact O-N 3.27Å; K110-T114 PolarHBondContact O-N 3.01Å; K110-T114 PolarHBondContact O-OG1 3.01Å
111	D	94.5	Very high	93.8	Very high	59 Å²	59	56.8 Å²	56.8	32%	0.316	31%	0.309	S	S	.	.	H	α-helix	trans	-67.3	-34.1	179.7	-52.7	-24.3	0	0	0	110.2	L106 S107 S108 E109 T114 A115	L106-D111 HydrophobicContact CB-CB 4.26Å; L106-D111 HydrophobicContact CD2-CB 3.93Å; S107-D111 PolarHBondContact N-OD2 2.84Å; S107-D111 PolarHBondContact OG-OD2 3.02Å; S108-D111 PolarHBondContact N-OD2 3.28Å; S108-D111 VanDerWaalsContact N-OD2 3.11Å; S108-D111 WeakPolarHBondContact O-CB 3.29Å; S108-D111 PolarHBondContact O-N 2.96Å; S108-D111 VanDerWaalsContact O-N 3.11Å; E109-D111 VanDerWaalsContact C-N 3.29Å; E109-D111 PolarHBondContact O-N 3.25Å; D111-T114 PolarHBondContact O-N 2.84Å; D111-A115 VanDerWaalsContact O-CB 3.29Å; D111-A115 WeakPolarHBondContact O-CB 3.36Å; D111-A115 PolarHBondContact O-N 3.14Å
112	F	94.2	Very high	93.8	Very high	10 Å²	10	56 Å²	56	4%	0.044	30%	0.302	C	S	.	.	H	α-helix	trans	-61	-48	173.8	172.3	-95.7	0	0	0	111.8	L106 E109 K110 T114 A115 C116 L123 C125 L165 L169 V180	L106-F112 HydrophobicContact CD1-CB 4.01Å; L106-F112 HydrophobicContact CD1-CD2 4.47Å; E109-F112 WeakPolarHBondContact O-CB 3.45Å; E109-F112 PolarHBondContact O-N 3.47Å; K110-F112 VanDerWaalsContact C-N 3.27Å; K110-F112 PolarHBondContact O-N 2.99Å; F112-T114 VanDerWaalsContact C-N 3.3Å; F112-T114 PolarHBondContact O-N 3.32Å; F112-A115 PolarHBondContact O-N 2.86Å; F112-C116 PolarHBondContact O-N 3.11Å; F112-C116 PolarHBondContact O-SG 2.88Å; F112-L123 HydrophobicContact CE2-CD2 4.02Å; F112-C125 HydrophobicContact CD2-CB 4.18Å; F112-C125 HydrophobicContact CE2-CB 3.69Å; F112-L165 HydrophobicContact CB-CD1 3.76Å; F112-L165 HydrophobicContact CD1-CD1 3.77Å; F112-L165 HydrophobicContact CD1-CD2 3.65Å; F112-L165 HydrophobicContact CD1-CG 4.4Å; F112-L165 HydrophobicContact CE1-CD2 3.89Å; F112-L165 HydrophobicContact CG-CD1 3.75Å; F112-L165 HydrophobicContact CG-CD2 4.47Å; F112-L169 HydrophobicContact CZ-CD1 4.44Å; F112-V180 HydrophobicContact CZ-CG2 4.33Å
113	F	93.9	Very high	93.9	Very high	73 Å²	73	51.5 Å²	51.5	32%	0.32	27%	0.274	S	S	.	.	H	α-helix	trans	-64.6	-36.5	177.2	-66.5	-67.2	0	0	0	112.4	E109 K110 C116 K117 F164 L165	E109-F113 WeakPolarHBondContact O-CD2 3.44Å; E109-F113 PolarHBondContact O-N 2.93Å; K110-F113 PolarHBondContact O-N 3.27Å; F113-C116 PolarHBondContact O-N 3.04Å; F113-K117 WeakPolarHBondContact O-CG 3.29Å; F113-K117 PolarHBondContact O-N 3.25Å; F113-K117 VanDerWaalsContact O-N 3.16Å; F113-F164 HydrophobicContact CE2-CE1 4.27Å; F113-F164 HydrophobicContact CZ-CE1 4.03Å; F113-L165 HydrophobicContact CE1-CD2 4.29Å; F113-L165 HydrophobicContact CE2-CD2 3.95Å; F113-L165 HydrophobicContact CZ-CD2 3.57Å
114	T	94.1	Very high	93.9	Very high	83 Å²	83	49.9 Å²	49.9	51%	0.509	27%	0.268	S	S	.	.	H	α-helix	trans	-64.8	-47.1	175.4	-54.8	0	0	0	0	110.6	K110 D111 F112 C116 K117 T118	K110-T114 PolarHBondContact O-N 3.01Å; K110-T114 PolarHBondContact O-OG1 3.01Å; D111-T114 PolarHBondContact O-N 2.84Å; F112-T114 VanDerWaalsContact C-N 3.3Å; F112-T114 PolarHBondContact O-N 3.32Å; T114-C116 VanDerWaalsContact C-N 3.32Å; T114-C116 PolarHBondContact O-N 3.24Å; T114-K117 PolarHBondContact O-N 2.85Å; T114-T118 WeakPolarHBondContact O-CB 3.35Å; T114-T118 PolarHBondContact O-N 3.3Å; T114-T118 PolarHBondContact O-OG1 3.05Å
115	A	94.3	Very high	93.9	Very high	3 Å²	3	48 Å²	48	3%	0.025	26%	0.255	C	S	.	.	H	α-helix	trans	-59.3	-41.5	176.5	0	0	0	0	0	111.8	L106 D111 F112 K117 T118 S119 L123	L106-A115 HydrophobicContact CD1-CB 4.5Å; D111-A115 VanDerWaalsContact O-CB 3.29Å; D111-A115 WeakPolarHBondContact O-CB 3.36Å; D111-A115 PolarHBondContact O-N 3.14Å; F112-A115 PolarHBondContact O-N 2.86Å; A115-K117 PolarHBondContact O-N 3.47Å; A115-T118 PolarHBondContact O-N 3.3Å; A115-S119 VanDerWaalsContact O-CB 3.27Å; A115-S119 WeakPolarHBondContact O-CB 3.44Å; A115-S119 PolarHBondContact O-N 3.31Å; A115-S119 PolarHBondContact O-OG 2.81Å; A115-L123 HydrophobicContact CB-CD1 3.52Å
116	C	93.5	Very high	94	Very high	13 Å²	13	43.8 Å²	43.8	9%	0.088	24%	0.235	C	C	.	.	H	α-helix	trans	-62.4	-38.6	176.7	-73	0	0	0	0	113.4	F112 F113 T114 V180	F112-C116 PolarHBondContact O-N 3.11Å; F112-C116 PolarHBondContact O-SG 2.88Å; F113-C116 PolarHBondContact O-N 3.04Å; T114-C116 VanDerWaalsContact C-N 3.32Å; T114-C116 PolarHBondContact O-N 3.24Å; C116-V180 HydrophobicContact CB-CG1 4.46Å
117	K	93	Very high	94.1	Very high	146 Å²	146	43.2 Å²	43.2	64%	0.635	23%	0.232	S	C	*	.	H	α-helix	trans	-72.9	-39.7	178.3	-71.3	177.1	176.5	-174.1	0	112.5	F113 T114 A115 S119	F113-K117 WeakPolarHBondContact O-CG 3.29Å; F113-K117 PolarHBondContact O-N 3.25Å; F113-K117 VanDerWaalsContact O-N 3.16Å; T114-K117 PolarHBondContact O-N 2.85Å; A115-K117 PolarHBondContact O-N 3.47Å; K117-S119 VanDerWaalsContact C-N 3.34Å
118	T	93.2	Very high	94.3	Very high	46 Å²	46	39.3 Å²	39.3	28%	0.282	20%	0.204	S	C	.	.	H	α-helix	trans	-75.4	-25.8	-177.2	-64	0	0	0	0	112.3	L98 T114 A115 S120	L98-T118 HydrophobicContact CB-CG2 3.75Å; L98-T118 HydrophobicContact CD1-CG2 3.53Å; L98-T118 HydrophobicContact CD2-CG2 3.35Å; L98-T118 HydrophobicContact CG-CG2 3.66Å; T114-T118 WeakPolarHBondContact O-CB 3.35Å; T114-T118 PolarHBondContact O-N 3.3Å; T114-T118 PolarHBondContact O-OG1 3.05Å; A115-T118 PolarHBondContact O-N 3.3Å; T118-S120 PolarHBondContact O-N 3.44Å
119	S	92.2	Very high	94.5	Very high	6 Å²	6	42.1 Å²	42.1	4%	0.042	21%	0.207	C	C	.	.			trans	-86.4	100	-178.3	-52.3	0	0	0	0	110.8	A115 K117 R153	A115-S119 VanDerWaalsContact O-CB 3.27Å; A115-S119 WeakPolarHBondContact O-CB 3.44Å; A115-S119 PolarHBondContact O-N 3.31Å; A115-S119 PolarHBondContact O-OG 2.81Å; K117-S119 VanDerWaalsContact C-N 3.34Å; S119-R153 WeakPolarHBondContact OG-CB 3.36Å; S119-R153 WeakPolarHBondContact OG-CD 3.29Å
120	S	88.5	Confident	94.5	Very high	79 Å²	79	45.4 Å²	45.4	55%	0.552	23%	0.227	S	C	*	.	S	Bend	trans	-71.6	-36.7	-175.7	55.8	0	0	0	0	114.2	T118	T118-S120 PolarHBondContact O-N 3.44Å
121	F	93	Very high	94.5	Very high	53 Å²	53	42.3 Å²	42.3	23%	0.232	23%	0.225	C	C	.	.	S	Bend	trans	-89.7	-48	-174.9	-171.2	-91.2	0	0	0	113	E151 V215 K217	F121-E151 HydrophobicContact CB-CB 4.31Å; F121-E151 WeakPolarHBondContact CB-O 3.44Å; F121-E151 HydrophobicContact CD1-CB 4.18Å; F121-E151 HydrophobicContact CD1-CG 3.62Å; F121-E151 HydrophobicContact CE1-CG 3.86Å; F121-E151 HydrophobicContact CG-CB 4.15Å; F121-E151 HydrophobicContact CG-CG 4.07Å; F121-E151 HydrophobicContact CZ-CG 4.48Å; F121-V215 VanDerWaalsContact CD1-O 3.29Å; F121-V215 WeakPolarHBondContact CD1-O 3.4Å; F121-V215 WeakPolarHBondContact CE1-O 3.45Å; F121-K217 HydrophobicContact CE1-CG 4.15Å; F121-K217 HydrophobicContact CE2-CG 4Å; F121-K217 HydrophobicContact CZ-CG 3.55Å
122	G	94.8	Very high	94.4	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.6	158.4	-179.3	0	0	0	0	0	112.4	R153 V180	G122-R153 PolarHBondContact O-N 2.97Å; G122-V180 CarbonylContact C-O 3.55Å; G122-V180 WeakPolarHBondContact CA-O 3.43Å
123	L	96.5	Very high	94.4	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.005	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	134.3	175.7	175.7	145.4	0	0	0	110.2	F112 A115 C125 R153 V155 V180	F112-L123 HydrophobicContact CE2-CD2 4.02Å; A115-L123 HydrophobicContact CB-CD1 3.52Å; L123-C125 HydrophobicContact CD2-CB 3.89Å; L123-R153 CarbonylContact C-O 3.57Å; L123-R153 VanDerWaalsContact CA-O 3.29Å; L123-R153 WeakPolarHBondContact CA-O 3.43Å; L123-R153 HydrophobicContact CB-CB 4.46Å; L123-R153 HydrophobicContact CD1-CB 4.31Å; L123-R153 HydrophobicContact CD1-CG 4.35Å; L123-R153 HydrophobicContact CG-CB 4.45Å; L123-V155 HydrophobicContact CD1-CG2 4.21Å; L123-V155 HydrophobicContact CD2-CG2 4.24Å; L123-V155 HydrophobicContact CG-CG2 4.23Å; L123-V180 HydrophobicContact CB-CB 4.27Å; L123-V180 HydrophobicContact CD2-CB 4.24Å; L123-V180 HydrophobicContact CD2-CG2 4.1Å; L123-V180 PolarHBondContact N-O 3.46Å; L123-V180 PolarHBondContact O-N 3.33Å
124	V	97.5	Very high	94.4	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	118.9	173.1	-178.3	0	0	0	0	107.8	L142 R153 M154 V155 L177 L179 L210 V215	V124-L142 HydrophobicContact CG1-CD2 4.1Å; V124-R153 PolarHBondContact N-O 3.12Å; V124-M154 HydrophobicContact CB-CG 4.33Å; V124-V155 WeakPolarHBondContact O-CG2 3.31Å; V124-V155 PolarHBondContact O-N 3.08Å; V124-L177 HydrophobicContact CG1-CD2 4.43Å; V124-L179 HydrophobicContact CB-CD2 4.32Å; V124-L179 HydrophobicContact CG1-CD2 3.9Å; V124-L179 HydrophobicContact CG2-CD2 3.91Å; V124-L210 HydrophobicContact CG1-CD2 4.04Å; V124-L210 HydrophobicContact CG2-CD1 4.33Å; V124-L210 HydrophobicContact CG2-CD2 3.84Å; V124-V215 HydrophobicContact CG2-CG2 4Å
125	C	97.1	Very high	94.5	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	118.4	177.4	-171.2	0	0	0	0	111.2	F112 L123 F127 V155 L177 I178	F112-C125 HydrophobicContact CD2-CB 4.18Å; F112-C125 HydrophobicContact CE2-CB 3.69Å; L123-C125 HydrophobicContact CD2-CB 3.89Å; C125-F127 HydrophobicContact CB-CE2 4.18Å; C125-V155 CarbonylContact C-O 3.56Å; C125-V155 WeakPolarHBondContact CA-O 3.43Å; C125-V155 HydrophobicContact CB-CG2 4.1Å; C125-L177 WeakPolarHBondContact O-CA 3.41Å; C125-I178 PolarHBondContact N-O 2.76Å; C125-I178 PolarHBondContact O-N 3.36Å
126	H	97.6	Very high	94.6	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	112.5	173.6	178	-153.1	0	0	0	110.9	Y103 C135 D139 L142 V155 K156 I157 P175 L177	Y103-H126 PolarHBondContact OH-ND1 3.2Å; H126-C135 PolarHBondContact CE1-O 3.32Å; H126-D139 IonicContact CE1-OD1 3.08Å; H126-D139 PolarHBondContact CE1-OD1 3.44Å; H126-D139 IonicContact ND1-OD1 2.66Å; H126-D139 PolarHBondContact ND1-OD1 3.24Å; H126-L142 HydrophobicContact CB-CD1 3.8Å; H126-V155 PolarHBondContact N-O 2.9Å; H126-K156 HydrophobicContact CB-CB 4.05Å; H126-K156 CarbonylContact O-C 3.55Å; H126-K156 VanDerWaalsContact O-CA 3.27Å; H126-K156 WeakPolarHBondContact O-CA 3.46Å; H126-I157 PolarHBondContact O-N 3.36Å; H126-P175 WeakPolarHBondContact NE2-CB 3.21Å; H126-L177 HydrophobicContact CB-CD2 3.54Å
127	F	97.2	Very high	94.7	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	111.3	169.9	-72.6	-97.4	0	0	0	108.9	C125 I157 L165 T166 L169 I171 T176 I178	C125-F127 HydrophobicContact CB-CE2 4.18Å; F127-I157 WeakPolarHBondContact CA-O 3.49Å; F127-I157 HydrophobicContact CD1-CG2 3.45Å; F127-I157 VanDerWaalsContact CD1-CG2 3.45Å; F127-I157 HydrophobicContact CD2-CG2 4.31Å; F127-I157 HydrophobicContact CE1-CG2 3.42Å; F127-I157 VanDerWaalsContact CE1-CG2 3.42Å; F127-I157 HydrophobicContact CE2-CG2 4.27Å; F127-I157 HydrophobicContact CG-CG2 3.92Å; F127-I157 HydrophobicContact CZ-CG2 3.85Å; F127-L165 HydrophobicContact CE1-CB 3.97Å; F127-L165 HydrophobicContact CZ-CB 4.24Å; F127-T166 HydrophobicContact CD1-CG2 4.02Å; F127-T166 HydrophobicContact CE1-CG2 4.31Å; F127-L169 HydrophobicContact CE2-CD1 4.04Å; F127-L169 HydrophobicContact CZ-CD1 3.68Å; F127-I171 HydrophobicContact CB-CD1 3.99Å; F127-I171 HydrophobicContact CB-CG2 4.37Å; F127-I171 HydrophobicContact CD1-CD1 3.35Å; F127-I171 HydrophobicContact CD2-CD1 3.36Å; F127-I171 HydrophobicContact CE1-CD1 3.53Å; F127-I171 HydrophobicContact CE2-CD1 3.55Å; F127-I171 HydrophobicContact CG-CD1 3.26Å; F127-I171 HydrophobicContact CZ-CD1 3.63Å; F127-T176 PolarHBondContact N-O 3.28Å; F127-T176 PolarHBondContact O-N 3.4Å; F127-I178 HydrophobicContact CD2-CG1 3.86Å; F127-I178 HydrophobicContact CE2-CB 4.07Å; F127-I178 HydrophobicContact CE2-CG1 3.61Å
128	Y	97	Very high	94.9	Very high	7 Å²	7	45.9 Å²	45.9	3%	0.027	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	167.2	-171.7	83.3	-82.8	0	0	0	112.3	E105 D130 K156 I157 N158 A159	E105-Y128 HydrophobicContact CG-CE1 4.42Å; E105-Y128 PolarHBondContact OE1-OH 2.93Å; E105-Y128 PolarHBondContact OE2-OH 3.16Å; E105-Y128 VanDerWaalsContact OE2-OH 3.11Å; Y128-D130 WeakPolarHBondContact CE2-OD1 3.11Å; Y128-K156 HydrophobicContact CD1-CB 3.86Å; Y128-K156 HydrophobicContact CD1-CD 3.92Å; Y128-K156 HydrophobicContact CD1-CG 4.13Å; Y128-K156 HydrophobicContact CE1-CB 4.07Å; Y128-K156 HydrophobicContact CE1-CD 3.72Å; Y128-K156 HydrophobicContact CE1-CG 3.87Å; Y128-I157 VanDerWaalsContact CD1-C 3.41Å; Y128-I157 WeakPolarHBondContact CD1-O 3.16Å; Y128-I157 PolarHBondContact N-O 2.85Å; Y128-I157 VanDerWaalsContact N-O 3.08Å; Y128-N158 HydrophobicContact CE1-CB 3.95Å; Y128-N158 VanDerWaalsContact CE1-N 3.29Å; Y128-N158 HydrophobicContact CE2-CB 4.49Å; Y128-N158 WeakPolarHBondContact O-CA 3.36Å; Y128-A159 PolarHBondContact O-N 3.06Å
129	R	95.8	Very high	95	Very high	104 Å²	104	45.1 Å²	45.1	39%	0.392	22%	0.224	S	C	.	.			trans	-141.4	135.8	171.6	-164	179.1	-152.4	167.7	10.7	109.1	S131 T132 E160 I174	R129-S131 WeakPolarHBondContact CD-OG 3.41Å; R129-S131 PolarHBondContact O-N 3.28Å; R129-T132 PolarHBondContact O-N 3.31Å; R129-T132 VanDerWaalsContact O-N 3.1Å; R129-E160 HydrophobicContact CG-CG 4.36Å; R129-E160 IonicContact CZ-OE1 3.96Å; R129-E160 IonicContact NE-OE1 3.7Å; R129-E160 PolarHBondContact NE-OE1 2.93Å; R129-E160 IonicContact NH2-OE1 3.74Å; R129-E160 PolarHBondContact NH2-OE1 3.43Å; R129-I174 HydrophobicContact CB-CD1 4.15Å; R129-I174 HydrophobicContact CB-CG2 4.13Å
130	D	93.3	Very high	95.2	Very high	110 Å²	110	51.9 Å²	51.9	59%	0.588	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-28.5	-174.7	-67.4	-54.1	0	0	0	113.5	Y128 T132 N158	Y128-D130 WeakPolarHBondContact CE2-OD1 3.11Å; D130-T132 PolarHBondContact O-N 3.31Å; D130-N158 PolarHBondContact OD2-ND2 2.88Å
131	S	93.2	Very high	95.6	Very high	96 Å²	96	49 Å²	49	67%	0.671	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-17.7	178.2	62.7	0	0	0	0	114.2	R129	R129-S131 WeakPolarHBondContact CD-OG 3.41Å; R129-S131 PolarHBondContact O-N 3.28Å
132	T	92.4	Very high	95.8	Very high	40 Å²	40	46.5 Å²	46.5	25%	0.245	22%	0.22	C	C	.	.			trans	-102.6	107.6	-169.5	-58.1	0	0	0	0	110.7	R129 D130 R134 C135	R129-T132 PolarHBondContact O-N 3.31Å; R129-T132 VanDerWaalsContact O-N 3.1Å; D130-T132 PolarHBondContact O-N 3.31Å; T132-R134 VanDerWaalsContact C-N 3.26Å; T132-R134 HydrophobicContact CG2-CB 4.22Å; T132-R134 PolarHBondContact O-N 3.46Å; T132-C135 VanDerWaalsContact O-CB 3.31Å; T132-C135 WeakPolarHBondContact O-CB 3.46Å; T132-C135 PolarHBondContact O-N 2.83Å
133	F	94	Very high	95.9	Very high	136 Å²	136	49.6 Å²	49.6	60%	0.596	24%	0.241	S	C	*	.	H	α-helix	trans	-54.2	-39.2	-178.8	177.2	-103.3	0	0	0	113.7	C135 K136 I137	F133-C135 PolarHBondContact O-N 3.15Å; F133-C135 VanDerWaalsContact O-N 3.09Å; F133-K136 HydrophobicContact CD2-CD 4.28Å; F133-K136 VanDerWaalsContact O-CB 3.32Å; F133-K136 WeakPolarHBondContact O-CB 3.25Å; F133-K136 PolarHBondContact O-N 3.17Å; F133-I137 HydrophobicContact CD1-CD1 4.29Å; F133-I137 HydrophobicContact CE1-CD1 3.91Å; F133-I137 HydrophobicContact CE1-CG1 4.21Å
134	R	94.7	Very high	95.9	Very high	129 Å²	129	53.5 Å²	53.5	49%	0.487	26%	0.262	S	S	.	.	H	α-helix	trans	-56.8	-26.2	178.3	-71.4	-171.7	176.2	123.6	4	113.9	T132 K136 I137 L138 P175 F192 D199	T132-R134 VanDerWaalsContact C-N 3.26Å; T132-R134 HydrophobicContact CG2-CB 4.22Å; T132-R134 PolarHBondContact O-N 3.46Å; R134-K136 VanDerWaalsContact C-N 3.28Å; R134-K136 PolarHBondContact O-N 2.84Å; R134-I137 PolarHBondContact O-N 3Å; R134-L138 PolarHBondContact O-N 2.9Å; R134-P175 HydrophobicContact CB-CG 4.18Å; R134-F192 HydrophobicContact CB-CE1 4.39Å; R134-F192 HydrophobicContact CB-CE2 3.84Å; R134-F192 HydrophobicContact CB-CZ 3.6Å; R134-F192 HydrophobicContact CG-CD2 4.42Å; R134-F192 HydrophobicContact CG-CE2 3.67Å; R134-F192 HydrophobicContact CG-CZ 4Å; R134-F192 WeakPolarHBondContact O-CZ 3.29Å; R134-D199 IonicContact CZ-OD1 3.2Å; R134-D199 IonicContact NE-OD1 2.83Å; R134-D199 PolarHBondContact NE-OD1 2.98Å; R134-D199 IonicContact NE-OD2 2.87Å; R134-D199 IonicContact NH2-OD1 3.66Å
135	C	96.2	Very high	95.9	Very high	3 Å²	3	53.5 Å²	53.5	2%	0.02	26%	0.262	C	S	.	.	H	α-helix	trans	-63.6	-35.7	174.1	-62.5	0	0	0	0	112	H126 T132 F133 I137 L138 D139 I174	H126-C135 PolarHBondContact CE1-O 3.32Å; T132-C135 VanDerWaalsContact O-CB 3.31Å; T132-C135 WeakPolarHBondContact O-CB 3.46Å; T132-C135 PolarHBondContact O-N 2.83Å; F133-C135 PolarHBondContact O-N 3.15Å; F133-C135 VanDerWaalsContact O-N 3.09Å; C135-I137 VanDerWaalsContact C-N 3.26Å; C135-I137 PolarHBondContact O-N 3.2Å; C135-L138 PolarHBondContact O-N 3.42Å; C135-D139 PolarHBondContact O-N 2.94Å; C135-I174 VanDerWaalsContact SG-CG2 3.54Å
136	K	95.8	Very high	95.8	Very high	131 Å²	131	53.6 Å²	53.6	57%	0.57	26%	0.263	S	S	*	.	H	α-helix	trans	-65.9	-31.1	-179.9	-60.7	-176.7	177.6	-179.6	0	112.2	F133 R134 D139 K140	F133-K136 HydrophobicContact CD2-CD 4.28Å; F133-K136 VanDerWaalsContact O-CB 3.32Å; F133-K136 WeakPolarHBondContact O-CB 3.25Å; F133-K136 PolarHBondContact O-N 3.17Å; R134-K136 VanDerWaalsContact C-N 3.28Å; R134-K136 PolarHBondContact O-N 2.84Å; K136-D139 PolarHBondContact O-N 2.83Å; K136-K140 PolarHBondContact O-N 3.34Å
137	I	95.8	Very high	95.7	Very high	20 Å²	20	57 Å²	57	10%	0.103	29%	0.286	C	S	.	.	H	α-helix	trans	-64.9	-50.5	176.3	-60.1	172.1	0	0	0	109.3	F133 R134 C135 D139 K140 H141 F192 D199 F201	F133-I137 HydrophobicContact CD1-CD1 4.29Å; F133-I137 HydrophobicContact CE1-CD1 3.91Å; F133-I137 HydrophobicContact CE1-CG1 4.21Å; R134-I137 PolarHBondContact O-N 3Å; C135-I137 VanDerWaalsContact C-N 3.26Å; C135-I137 PolarHBondContact O-N 3.2Å; I137-D139 VanDerWaalsContact C-N 3.35Å; I137-D139 PolarHBondContact O-N 2.68Å; I137-K140 WeakPolarHBondContact O-CB 3.13Å; I137-K140 PolarHBondContact O-N 3.47Å; I137-H141 PolarHBondContact O-CD2 2.92Å; I137-H141 PolarHBondContact O-N 3.43Å; I137-F192 HydrophobicContact CB-CZ 4.09Å; I137-F192 HydrophobicContact CD1-CE2 3.9Å; I137-F192 HydrophobicContact CD1-CZ 4.22Å; I137-F192 HydrophobicContact CG2-CZ 4.25Å; I137-D199 HydrophobicContact CD1-CB 3.72Å; I137-F201 HydrophobicContact CG2-CE1 3.98Å; I137-F201 HydrophobicContact CG2-CZ 4.08Å
138	L	96.3	Very high	95.6	Very high	2 Å²	2	63 Å²	63	1%	0.01	31%	0.313	C	S	.	.	H	α-helix	trans	-62	-40.3	176.3	-78.9	172	0	0	0	112.8	R134 C135 K140 H141 L142 P175 L177 F192 L195 F201 L206	R134-L138 PolarHBondContact O-N 2.9Å; C135-L138 PolarHBondContact O-N 3.42Å; L138-K140 PolarHBondContact O-N 2.97Å; L138-H141 PolarHBondContact O-N 3.11Å; L138-L142 HydrophobicContact CB-CD1 4.5Å; L138-L142 WeakPolarHBondContact O-CB 3.4Å; L138-L142 WeakPolarHBondContact O-CG 3.35Å; L138-L142 PolarHBondContact O-N 2.9Å; L138-P175 HydrophobicContact CD1-CB 3.53Å; L138-P175 HydrophobicContact CD1-CG 3.71Å; L138-L177 HydrophobicContact CD1-CD2 4.21Å; L138-L177 HydrophobicContact CD1-CG 4.31Å; L138-L177 HydrophobicContact CD2-CD1 4.09Å; L138-F192 HydrophobicContact CD1-CE1 3.95Å; L138-F192 HydrophobicContact CD2-CE1 4.45Å; L138-F192 HydrophobicContact CG-CE1 3.86Å; L138-L195 HydrophobicContact CD2-CD1 4.28Å; L138-F201 HydrophobicContact CD2-CZ 3.94Å; L138-L206 HydrophobicContact CD2-CD1 4.27Å; L138-L206 HydrophobicContact CD2-CD2 3.96Å
139	D	96.6	Very high	95.6	Very high	31 Å²	31	63.4 Å²	63.4	17%	0.166	31%	0.314	C	S	.	.	H	α-helix	trans	-55	-42	176.3	-81.8	5.9	0	0	0	111.7	Y103 H126 C135 K136 I137 S143 K156	Y103-D139 HydrophobicContact CE1-CB 3.96Å; Y103-D139 WeakPolarHBondContact CE1-OD1 3.21Å; Y103-D139 PolarHBondContact OH-OD1 3.38Å; H126-D139 IonicContact CE1-OD1 3.08Å; H126-D139 PolarHBondContact CE1-OD1 3.44Å; H126-D139 IonicContact ND1-OD1 2.66Å; H126-D139 PolarHBondContact ND1-OD1 3.24Å; C135-D139 PolarHBondContact O-N 2.94Å; K136-D139 PolarHBondContact O-N 2.83Å; I137-D139 VanDerWaalsContact C-N 3.35Å; I137-D139 PolarHBondContact O-N 2.68Å; D139-S143 VanDerWaalsContact O-CB 3.29Å; D139-S143 WeakPolarHBondContact O-CB 3.47Å; D139-S143 PolarHBondContact O-N 2.92Å; D139-K156 IonicContact OD2-NZ 3.59Å; D139-K156 PolarHBondContact OD2-NZ 2.95Å
140	K	96.2	Very high	95.5	Very high	147 Å²	147	58.8 Å²	58.8	64%	0.639	30%	0.298	S	S	*	.	H	α-helix	trans	-63.3	-48.8	176.6	-176.6	-176	176.1	-173.9	0	111.9	K136 I137 L138 L144	K136-K140 PolarHBondContact O-N 3.34Å; I137-K140 WeakPolarHBondContact O-CB 3.13Å; I137-K140 PolarHBondContact O-N 3.47Å; L138-K140 PolarHBondContact O-N 2.97Å; K140-L144 WeakPolarHBondContact O-CG 3.48Å; K140-L144 PolarHBondContact O-N 2.8Å
141	H	96.7	Very high	95.6	Very high	18 Å²	18	54.3 Å²	54.3	8%	0.083	27%	0.273	C	S	.	.	H	α-helix	trans	-69.3	-42.4	-178.2	-65	-72.7	0	0	0	112.2	I137 L138 S143 L144 L145 F201 T203 L206	I137-H141 PolarHBondContact O-CD2 2.92Å; I137-H141 PolarHBondContact O-N 3.43Å; L138-H141 PolarHBondContact O-N 3.11Å; H141-S143 VanDerWaalsContact C-N 3.33Å; H141-S143 PolarHBondContact O-N 3.47Å; H141-L144 PolarHBondContact O-N 2.91Å; H141-L144 VanDerWaalsContact O-N 3.15Å; H141-L145 WeakPolarHBondContact O-CG 3.33Å; H141-L145 PolarHBondContact O-N 3.37Å; H141-F201 AromaticContact CD2-CE2 3.54Å; H141-F201 AromaticContact CD2-CZ 3.73Å; H141-F201 PolarHBondContact CE1-O 2.86Å; H141-F201 VanDerWaalsContact CE1-O 3.29Å; H141-F201 AromaticContact NE2-CE2 3.82Å; H141-T203 PolarHBondContact ND1-OG1 3.34Å; H141-L206 HydrophobicContact CB-CD2 3.6Å
142	L	97.4	Very high	95.7	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.005	24%	0.241	C	C	.	.	H	α-helix	trans	-65	-36.4	177.6	-70.7	173.1	0	0	0	112	Y103 V124 H126 L138 L144 L145 A146 M154 L177 L206	Y103-L142 HydrophobicContact CD2-CB 3.92Å; Y103-L142 HydrophobicContact CE2-CB 3.76Å; Y103-L142 HydrophobicContact CE2-CD1 3.72Å; Y103-L142 HydrophobicContact CE2-CG 4.38Å; Y103-L142 HydrophobicContact CG-CB 4.37Å; V124-L142 HydrophobicContact CG1-CD2 4.1Å; H126-L142 HydrophobicContact CB-CD1 3.8Å; L138-L142 HydrophobicContact CB-CD1 4.5Å; L138-L142 WeakPolarHBondContact O-CB 3.4Å; L138-L142 WeakPolarHBondContact O-CG 3.35Å; L138-L142 PolarHBondContact O-N 2.9Å; L142-L144 VanDerWaalsContact C-N 3.28Å; L142-L144 PolarHBondContact O-N 2.84Å; L142-L145 PolarHBondContact O-N 3.43Å; L142-A146 VanDerWaalsContact O-CB 3.29Å; L142-A146 WeakPolarHBondContact O-CB 3.3Å; L142-A146 PolarHBondContact O-N 3.11Å; L142-M154 HydrophobicContact CD2-SD 3.93Å; L142-L177 HydrophobicContact CD1-CD2 3.91Å; L142-L206 HydrophobicContact CD2-CD2 4.14Å; L142-L206 HydrophobicContact CG-CD2 4.34Å
143	S	96.8	Very high	95.9	Very high	66 Å²	66	49.6 Å²	49.6	46%	0.462	24%	0.236	S	C	.	.	H	α-helix	trans	-61.9	-35.8	173.3	-173.6	0	0	0	0	112.7	D139 H141	D139-S143 VanDerWaalsContact O-CB 3.29Å; D139-S143 WeakPolarHBondContact O-CB 3.47Å; D139-S143 PolarHBondContact O-N 2.92Å; H141-S143 VanDerWaalsContact C-N 3.33Å; H141-S143 PolarHBondContact O-N 3.47Å
144	L	96.6	Very high	96.1	Very high	83 Å²	83	43.2 Å²	43.2	44%	0.435	21%	0.208	S	C	.	.	H	α-helix	trans	-74.9	-34.2	176.2	-67.8	171.9	0	0	0	112.3	K140 H141 L142 S147 T203	K140-L144 WeakPolarHBondContact O-CG 3.48Å; K140-L144 PolarHBondContact O-N 2.8Å; H141-L144 PolarHBondContact O-N 2.91Å; H141-L144 VanDerWaalsContact O-N 3.15Å; L142-L144 VanDerWaalsContact C-N 3.28Å; L142-L144 PolarHBondContact O-N 2.84Å; L144-S147 PolarHBondContact O-OG 3.09Å; L144-S147 VanDerWaalsContact O-OG 3.09Å; L144-T203 HydrophobicContact CB-CG2 4.39Å
145	L	96.8	Very high	96.2	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-78.7	-31.9	179.9	-69.3	175.6	0	0	0	112.6	H141 L142 S147 K148 H149 M154 T203 L206 E207 L210	H141-L145 WeakPolarHBondContact O-CG 3.33Å; H141-L145 PolarHBondContact O-N 3.37Å; L142-L145 PolarHBondContact O-N 3.43Å; L145-S147 VanDerWaalsContact C-N 3.28Å; L145-S147 PolarHBondContact O-N 3.4Å; L145-K148 HydrophobicContact CD2-CD 4.48Å; L145-K148 PolarHBondContact O-N 2.88Å; L145-K148 VanDerWaalsContact O-N 3.13Å; L145-H149 PolarHBondContact O-N 2.92Å; L145-M154 HydrophobicContact CB-CE 3.7Å; L145-M154 HydrophobicContact CB-SD 3.73Å; L145-T203 HydrophobicContact CD1-CG2 4.29Å; L145-T203 HydrophobicContact CD2-CG2 3.71Å; L145-T203 HydrophobicContact CG-CG2 3.77Å; L145-L206 HydrophobicContact CD1-CB 4.29Å; L145-L206 HydrophobicContact CD1-CD2 3.88Å; L145-L206 HydrophobicContact CD1-CG 3.91Å; L145-E207 HydrophobicContact CD1-CB 4.41Å; L145-E207 HydrophobicContact CD2-CB 3.81Å; L145-E207 HydrophobicContact CD2-CG 3.83Å; L145-L210 HydrophobicContact CD1-CD1 3.99Å
146	A	96.6	Very high	96.2	Very high	2 Å²	2	38.7 Å²	38.7	2%	0.017	19%	0.192	C	C	.	.	H	α-helix	trans	-57.7	-42.3	178.4	0	0	0	0	0	111.5	G101 L142 K148 M154	G101-A146 CarbonylContact C-O 3.6Å; G101-A146 WeakPolarHBondContact CA-O 3.27Å; G101-A146 CarbonylContact O-C 3.55Å; L142-A146 VanDerWaalsContact O-CB 3.29Å; L142-A146 WeakPolarHBondContact O-CB 3.3Å; L142-A146 PolarHBondContact O-N 3.11Å; A146-K148 VanDerWaalsContact C-N 3.35Å; A146-M154 HydrophobicContact CB-CB 4.1Å; A146-M154 HydrophobicContact CB-CG 4.33Å; A146-M154 HydrophobicContact CB-SD 4.12Å; A146-M154 PolarHBondContact N-SD 3.06Å
147	S	94.9	Very high	96.3	Very high	70 Å²	70	32.5 Å²	32.5	49%	0.49	17%	0.165	S	C	.	.	H	α-helix	trans	-72.4	-27.2	179.4	61.3	0	0	0	0	113.5	G101 L144 L145	G101-S147 WeakPolarHBondContact O-CA 3.12Å; G101-S147 PolarHBondContact O-N 2.99Å; L144-S147 PolarHBondContact O-OG 3.09Å; L144-S147 VanDerWaalsContact O-OG 3.09Å; L145-S147 VanDerWaalsContact C-N 3.28Å; L145-S147 PolarHBondContact O-N 3.4Å
148	K	95.5	Very high	96.3	Very high	128 Å²	128	31.8 Å²	31.8	56%	0.557	16%	0.161	S	C	*	.	H	α-helix	trans	-78.7	-43	176.7	-69.4	-179.5	176.7	-171.9	0	112.5	L145 A146	L145-K148 HydrophobicContact CD2-CD 4.48Å; L145-K148 PolarHBondContact O-N 2.88Å; L145-K148 VanDerWaalsContact O-N 3.13Å; A146-K148 VanDerWaalsContact C-N 3.35Å
149	H	95.6	Very high	96.2	Very high	14 Å²	14	32.2 Å²	32.2	7%	0.065	17%	0.165	C	C	.	.			trans	-109.9	72.1	-173.4	-64.1	-72.3	0	0	0	111.6	L145 E151 C152 M154 E207 I216 K217	L145-H149 PolarHBondContact O-N 2.92Å; H149-E151 VanDerWaalsContact C-OE2 3.25Å; H149-E151 VanDerWaalsContact CA-OE2 3.29Å; H149-E151 WeakPolarHBondContact CA-OE2 3.28Å; H149-E151 WeakPolarHBondContact CB-OE1 3.34Å; H149-E151 IonicContact CG-OE1 2.71Å; H149-E151 IonicContact ND1-OE1 3.24Å; H149-E151 PolarHBondContact ND1-OE1 3.26Å; H149-E151 PolarHBondContact O-N 2.83Å; H149-C152 HydrophobicContact CB-CB 4.31Å; H149-C152 PolarHBondContact O-N 3.13Å; H149-M154 HydrophobicContact CB-CE 4.26Å; H149-E207 IonicContact CE1-OE1 4Å; H149-E207 IonicContact NE2-OE1 3.5Å; H149-E207 PolarHBondContact NE2-OE1 3.45Å; H149-I216 HydrophobicContact CB-CB 4.46Å; H149-I216 HydrophobicContact CB-CG2 4.15Å; H149-K217 PolarHBondContact CE1-O 3.24Å; H149-K217 PolarHBondContact ND1-O 2.81Å
150	I	95.3	Very high	96.1	Very high	8 Å²	8	36 Å²	36	4%	0.041	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-23.1	-179.1	-69.3	157.4	0	0	0	111.8	R92 W95 L96 H100 C152	R92-I150 HydrophobicContact CG-CG2 4.46Å; R92-I150 VanDerWaalsContact NH1-CD1 3.28Å; W95-I150 HydrophobicContact CB-CG2 3.71Å; W95-I150 HydrophobicContact CE3-CG2 4.15Å; L96-I150 HydrophobicContact CD2-CD1 4.36Å; L96-I150 HydrophobicContact CD2-CG2 4.18Å; L96-I150 HydrophobicContact CG-CG2 4.24Å; H100-I150 HydrophobicContact CB-CG2 4.14Å; H100-I150 WeakPolarHBondContact CB-O 3.19Å; H100-I150 PolarHBondContact ND1-O 3.38Å; I150-C152 PolarHBondContact O-N 3.34Å
151	E	94.2	Very high	95.9	Very high	16 Å²	16	34.9 Å²	34.9	8%	0.075	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-28.2	172.1	72.5	-77.6	-175.3	0	0	112.5	W95 F121 H149 K217	W95-E151 HydrophobicContact CE3-CB 4.22Å; W95-E151 HydrophobicContact CH2-CB 3.75Å; W95-E151 HydrophobicContact CZ2-CB 4.02Å; W95-E151 HydrophobicContact CZ3-CB 3.85Å; F121-E151 HydrophobicContact CB-CB 4.31Å; F121-E151 WeakPolarHBondContact CB-O 3.44Å; F121-E151 HydrophobicContact CD1-CB 4.18Å; F121-E151 HydrophobicContact CD1-CG 3.62Å; F121-E151 HydrophobicContact CE1-CG 3.86Å; F121-E151 HydrophobicContact CG-CB 4.15Å; F121-E151 HydrophobicContact CG-CG 4.07Å; F121-E151 HydrophobicContact CZ-CG 4.48Å; H149-E151 VanDerWaalsContact C-OE2 3.25Å; H149-E151 VanDerWaalsContact CA-OE2 3.29Å; H149-E151 WeakPolarHBondContact CA-OE2 3.28Å; H149-E151 WeakPolarHBondContact CB-OE1 3.34Å; H149-E151 IonicContact CG-OE1 2.71Å; H149-E151 IonicContact ND1-OE1 3.24Å; H149-E151 PolarHBondContact ND1-OE1 3.26Å; H149-E151 PolarHBondContact O-N 2.83Å; E151-K217 HydrophobicContact CG-CB 4.48Å; E151-K217 HydrophobicContact CG-CD 4.16Å; E151-K217 HydrophobicContact CG-CG 4.03Å; E151-K217 WeakPolarHBondContact OE1-CB 3.15Å; E151-K217 PolarHBondContact OE1-N 3.3Å
152	C	96.2	Very high	95.8	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	127.4	-175.9	-168.3	0	0	0	0	111.2	H149 I150 M154 V215 I216	H149-C152 HydrophobicContact CB-CB 4.31Å; H149-C152 PolarHBondContact O-N 3.13Å; I150-C152 PolarHBondContact O-N 3.34Å; C152-M154 HydrophobicContact CB-CE 4.47Å; C152-M154 PolarHBondContact O-N 3.36Å; C152-V215 WeakPolarHBondContact CB-O 3.31Å; C152-V215 PolarHBondContact SG-O 3.33Å; C152-I216 HydrophobicContact CB-CG2 3.72Å
153	R	95.9	Very high	95.6	Very high	37 Å²	37	38 Å²	38	14%	0.14	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	118.9	176.6	-169.8	170.3	-178.1	142	5	110.3	L98 S119 G122 L123 V124 V155	L98-R153 VanDerWaalsContact O-CZ 3.23Å; L98-R153 PolarHBondContact O-NH1 3.37Å; L98-R153 PolarHBondContact O-NH2 2.83Å; S119-R153 WeakPolarHBondContact OG-CB 3.36Å; S119-R153 WeakPolarHBondContact OG-CD 3.29Å; G122-R153 PolarHBondContact O-N 2.97Å; L123-R153 CarbonylContact C-O 3.57Å; L123-R153 VanDerWaalsContact CA-O 3.29Å; L123-R153 WeakPolarHBondContact CA-O 3.43Å; L123-R153 HydrophobicContact CB-CB 4.46Å; L123-R153 HydrophobicContact CD1-CB 4.31Å; L123-R153 HydrophobicContact CD1-CG 4.35Å; L123-R153 HydrophobicContact CG-CB 4.45Å; V124-R153 PolarHBondContact N-O 3.12Å; R153-V155 HydrophobicContact CG-CG1 4.05Å
154	M	97.4	Very high	95.5	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.01	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	120.8	177.2	-57.5	-166.4	-177.9	0	0	110.3	Y103 V124 L142 L145 A146 H149 C152 L210 I216	Y103-M154 HydrophobicContact CD2-CB 4.09Å; V124-M154 HydrophobicContact CB-CG 4.33Å; L142-M154 HydrophobicContact CD2-SD 3.93Å; L145-M154 HydrophobicContact CB-CE 3.7Å; L145-M154 HydrophobicContact CB-SD 3.73Å; A146-M154 HydrophobicContact CB-CB 4.1Å; A146-M154 HydrophobicContact CB-CG 4.33Å; A146-M154 HydrophobicContact CB-SD 4.12Å; A146-M154 PolarHBondContact N-SD 3.06Å; H149-M154 HydrophobicContact CB-CE 4.26Å; C152-M154 HydrophobicContact CB-CE 4.47Å; C152-M154 PolarHBondContact O-N 3.36Å; M154-L210 HydrophobicContact CE-CD1 4.15Å; M154-I216 HydrophobicContact CE-CG2 4.17Å
155	V	97.2	Very high	95.3	Very high	1 Å²	1	36 Å²	36	1%	0.006	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	159.2	-175.4	-70.9	0	0	0	0	110.7	S104 L106 L123 V124 C125 H126 R153	S104-V155 CarbonylContact O-C 3.57Å; S104-V155 VanDerWaalsContact O-CA 3.31Å; S104-V155 WeakPolarHBondContact O-CA 3.42Å; L106-V155 HydrophobicContact CD1-CB 3.96Å; L106-V155 HydrophobicContact CD1-CG1 4.28Å; L106-V155 HydrophobicContact CD1-CG2 3.84Å; L106-V155 HydrophobicContact CD2-CB 4.5Å; L106-V155 HydrophobicContact CD2-CG1 4.14Å; L106-V155 HydrophobicContact CG-CB 3.98Å; L106-V155 HydrophobicContact CG-CG1 4.17Å; L106-V155 HydrophobicContact CG-CG2 4.42Å; L123-V155 HydrophobicContact CD1-CG2 4.21Å; L123-V155 HydrophobicContact CD2-CG2 4.24Å; L123-V155 HydrophobicContact CG-CG2 4.23Å; V124-V155 WeakPolarHBondContact O-CG2 3.31Å; V124-V155 PolarHBondContact O-N 3.08Å; C125-V155 CarbonylContact C-O 3.56Å; C125-V155 WeakPolarHBondContact CA-O 3.43Å; C125-V155 HydrophobicContact CB-CG2 4.1Å; H126-V155 PolarHBondContact N-O 2.9Å; R153-V155 HydrophobicContact CG-CG1 4.05Å
156	K	97.3	Very high	95.2	Very high	35 Å²	35	37.2 Å²	37.2	15%	0.152	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	153.1	169.4	65.7	173.8	178.1	174.4	0	112.4	Y103 S104 E105 L106 H126 Y128 D139	Y103-K156 HydrophobicContact CE1-CD 3.82Å; Y103-K156 HydrophobicContact CE1-CG 4.27Å; Y103-K156 HydrophobicContact CE2-CB 4.04Å; Y103-K156 HydrophobicContact CE2-CG 4.44Å; Y103-K156 WeakPolarHBondContact OH-CB 3.4Å; S104-K156 PolarHBondContact O-N 3.19Å; E105-K156 CarbonylContact C-O 3.58Å; E105-K156 WeakPolarHBondContact CA-O 3.29Å; E105-K156 HydrophobicContact CB-CG 3.95Å; E105-K156 HydrophobicContact CG-CG 4.2Å; L106-K156 PolarHBondContact N-O 3.45Å; H126-K156 HydrophobicContact CB-CB 4.05Å; H126-K156 CarbonylContact O-C 3.55Å; H126-K156 VanDerWaalsContact O-CA 3.27Å; H126-K156 WeakPolarHBondContact O-CA 3.46Å; Y128-K156 HydrophobicContact CD1-CB 3.86Å; Y128-K156 HydrophobicContact CD1-CD 3.92Å; Y128-K156 HydrophobicContact CD1-CG 4.13Å; Y128-K156 HydrophobicContact CE1-CB 4.07Å; Y128-K156 HydrophobicContact CE1-CD 3.72Å; Y128-K156 HydrophobicContact CE1-CG 3.87Å; D139-K156 IonicContact OD2-NZ 3.59Å; D139-K156 PolarHBondContact OD2-NZ 2.95Å
157	I	96.8	Very high	95.1	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.005	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	134.2	176.7	-166.6	166.7	0	0	0	109.7	H126 F127 Y128 A159 A162 L165	H126-I157 PolarHBondContact O-N 3.36Å; F127-I157 WeakPolarHBondContact CA-O 3.49Å; F127-I157 HydrophobicContact CD1-CG2 3.45Å; F127-I157 VanDerWaalsContact CD1-CG2 3.45Å; F127-I157 HydrophobicContact CD2-CG2 4.31Å; F127-I157 HydrophobicContact CE1-CG2 3.42Å; F127-I157 VanDerWaalsContact CE1-CG2 3.42Å; F127-I157 HydrophobicContact CE2-CG2 4.27Å; F127-I157 HydrophobicContact CG-CG2 3.92Å; F127-I157 HydrophobicContact CZ-CG2 3.85Å; Y128-I157 VanDerWaalsContact CD1-C 3.41Å; Y128-I157 WeakPolarHBondContact CD1-O 3.16Å; Y128-I157 PolarHBondContact N-O 2.85Å; Y128-I157 VanDerWaalsContact N-O 3.08Å; I157-A159 PolarHBondContact O-N 2.86Å; I157-A162 HydrophobicContact CD1-CB 3.61Å; I157-A162 HydrophobicContact CG1-CB 3.92Å; I157-L165 HydrophobicContact CD1-CD1 3.8Å
158	N	96.2	Very high	95.1	Very high	5 Å²	5	50.3 Å²	50.3	3%	0.027	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	120.5	176.5	-175.4	-34.3	0	0	0	108.6	Y128 D130 E160 K161 A162	Y128-N158 HydrophobicContact CE1-CB 3.95Å; Y128-N158 VanDerWaalsContact CE1-N 3.29Å; Y128-N158 HydrophobicContact CE2-CB 4.49Å; Y128-N158 WeakPolarHBondContact O-CA 3.36Å; D130-N158 PolarHBondContact OD2-ND2 2.88Å; N158-E160 PolarHBondContact O-N 3.31Å; N158-E160 WeakPolarHBondContact OD1-CB 3.29Å; N158-E160 PolarHBondContact OD1-N 3.44Å; N158-K161 HydrophobicContact CB-CB 4.29Å; N158-K161 HydrophobicContact CB-CD 4.03Å; N158-K161 HydrophobicContact CB-CG 4.03Å; N158-K161 PolarHBondContact O-N 3.2Å; N158-K161 VanDerWaalsContact O-N 3.07Å; N158-A162 PolarHBondContact O-N 2.93Å
159	A	95.1	Very high	95	Very high	11 Å²	11	45.3 Å²	45.3	9%	0.091	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-29.9	-177.5	0	0	0	0	0	113.1	Y128 I157 A162 T166 I174	Y128-A159 PolarHBondContact O-N 3.06Å; I157-A159 PolarHBondContact O-N 2.86Å; A159-A162 PolarHBondContact O-N 2.86Å; A159-T166 HydrophobicContact CB-CG2 3.8Å; A159-T166 WeakPolarHBondContact O-CG2 3.31Å; A159-I174 HydrophobicContact CB-CD1 3.4Å; A159-I174 VanDerWaalsContact CB-CD1 3.4Å
160	E	92.8	Very high	94.9	Very high	111 Å²	111	50 Å²	50	52%	0.519	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-32.7	177.3	-59.6	-176	150.7	0	0	112.6	R129 N158 A162	R129-E160 HydrophobicContact CG-CG 4.36Å; R129-E160 IonicContact CZ-OE1 3.96Å; R129-E160 IonicContact NE-OE1 3.7Å; R129-E160 PolarHBondContact NE-OE1 2.93Å; R129-E160 IonicContact NH2-OE1 3.74Å; R129-E160 PolarHBondContact NH2-OE1 3.43Å; N158-E160 PolarHBondContact O-N 3.31Å; N158-E160 WeakPolarHBondContact OD1-CB 3.29Å; N158-E160 PolarHBondContact OD1-N 3.44Å; E160-A162 VanDerWaalsContact C-N 3.29Å
161	K	92.9	Very high	94.9	Very high	124 Å²	124	50.5 Å²	50.5	54%	0.539	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-13.1	178.1	-61.9	-177.5	-171.7	167	0	112.6	E105 N158 P163	E105-K161 IonicContact OE1-NZ 3.12Å; E105-K161 PolarHBondContact OE1-NZ 3.41Å; N158-K161 HydrophobicContact CB-CB 4.29Å; N158-K161 HydrophobicContact CB-CD 4.03Å; N158-K161 HydrophobicContact CB-CG 4.03Å; N158-K161 PolarHBondContact O-N 3.2Å; N158-K161 VanDerWaalsContact O-N 3.07Å; K161-P163 VanDerWaalsContact C-CD 3.4Å; K161-P163 WeakPolarHBondContact O-CD 3.4Å
162	A	93.5	Very high	94.8	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	27%	0.269	C	S	.	.			trans	-125.7	59.2	-173.6	0	0	0	0	0	113.3	E109 I157 N158 A159 E160 F164 L165 T166	E109-A162 HydrophobicContact CG-CB 3.71Å; E109-A162 WeakPolarHBondContact OE1-CA 3.33Å; I157-A162 HydrophobicContact CD1-CB 3.61Å; I157-A162 HydrophobicContact CG1-CB 3.92Å; N158-A162 PolarHBondContact O-N 2.93Å; A159-A162 PolarHBondContact O-N 2.86Å; E160-A162 VanDerWaalsContact C-N 3.29Å; A162-F164 VanDerWaalsContact C-N 3.31Å; A162-F164 PolarHBondContact O-N 2.89Å; A162-L165 HydrophobicContact CB-CB 4.28Å; A162-L165 HydrophobicContact CB-CD1 4.33Å; A162-L165 PolarHBondContact O-N 3.49Å; A162-T166 WeakPolarHBondContact O-CG2 3.25Å; A162-T166 PolarHBondContact O-N 3.33Å; A162-T166 PolarHBondContact O-OG1 2.92Å; A162-T166 VanDerWaalsContact O-OG1 3.06Å
163	P	93.9	Very high	94.7	Very high	83 Å²	83	60.4 Å²	60.4	54%	0.539	29%	0.292	S	S	.	.	H	α-helix	trans	-65.4	-29.3	-175.7	27.8	-35.7	0	0	0	113.9	K161 T166 K167	K161-P163 VanDerWaalsContact C-CD 3.4Å; K161-P163 WeakPolarHBondContact O-CD 3.4Å; P163-T166 VanDerWaalsContact CA-OG1 3.27Å; P163-T166 WeakPolarHBondContact CA-OG1 3.12Å; P163-T166 PolarHBondContact O-OG1 3.42Å; P163-T166 VanDerWaalsContact O-OG1 3.06Å; P163-K167 VanDerWaalsContact O-CB 3.25Å; P163-K167 WeakPolarHBondContact O-CB 3.4Å; P163-K167 PolarHBondContact O-N 3.2Å; P163-K167 VanDerWaalsContact O-N 3.08Å
164	F	94.1	Very high	94.6	Very high	106 Å²	106	60.7 Å²	60.7	47%	0.465	30%	0.296	S	S	.	.	H	α-helix	trans	-74.4	-40.8	178.4	166.9	-94.7	0	0	0	110.8	E109 F113 A162 R168	E109-F164 WeakPolarHBondContact OE1-CA 3.38Å; E109-F164 VanDerWaalsContact OE1-CB 3.31Å; E109-F164 WeakPolarHBondContact OE1-CB 3.43Å; E109-F164 PolarHBondContact OE1-N 3.3Å; E109-F164 WeakPolarHBondContact OE2-CB 3.37Å; F113-F164 HydrophobicContact CE2-CE1 4.27Å; F113-F164 HydrophobicContact CZ-CE1 4.03Å; A162-F164 VanDerWaalsContact C-N 3.31Å; A162-F164 PolarHBondContact O-N 2.89Å; F164-R168 WeakPolarHBondContact O-CB 3.32Å; F164-R168 PolarHBondContact O-N 2.98Å
165	L	93.1	Very high	94.5	Very high	2 Å²	2	60.8 Å²	60.8	1%	0.01	30%	0.296	C	S	.	.	H	α-helix	trans	-65.7	-45.6	174.7	-72.6	176.7	0	0	0	112.1	E109 F112 F113 F127 I157 A162 K167 R168 L169	E109-L165 HydrophobicContact CB-CD1 3.88Å; E109-L165 HydrophobicContact CB-CG 4.07Å; E109-L165 HydrophobicContact CG-CD1 3.92Å; E109-L165 HydrophobicContact CG-CG 4Å; E109-L165 PolarHBondContact OE1-N 3.44Å; E109-L165 VanDerWaalsContact OE1-N 3.12Å; F112-L165 HydrophobicContact CB-CD1 3.76Å; F112-L165 HydrophobicContact CD1-CD1 3.77Å; F112-L165 HydrophobicContact CD1-CD2 3.65Å; F112-L165 HydrophobicContact CD1-CG 4.4Å; F112-L165 HydrophobicContact CE1-CD2 3.89Å; F112-L165 HydrophobicContact CG-CD1 3.75Å; F112-L165 HydrophobicContact CG-CD2 4.47Å; F113-L165 HydrophobicContact CE1-CD2 4.29Å; F113-L165 HydrophobicContact CE2-CD2 3.95Å; F113-L165 HydrophobicContact CZ-CD2 3.57Å; F127-L165 HydrophobicContact CE1-CB 3.97Å; F127-L165 HydrophobicContact CZ-CB 4.24Å; I157-L165 HydrophobicContact CD1-CD1 3.8Å; A162-L165 HydrophobicContact CB-CB 4.28Å; A162-L165 HydrophobicContact CB-CD1 4.33Å; A162-L165 PolarHBondContact O-N 3.49Å; L165-K167 VanDerWaalsContact C-N 3.34Å; L165-K167 PolarHBondContact O-N 2.69Å; L165-R168 PolarHBondContact O-N 3.19Å; L165-L169 VanDerWaalsContact O-CB 3.27Å; L165-L169 WeakPolarHBondContact O-CB 3.27Å; L165-L169 WeakPolarHBondContact O-CG 3.4Å; L165-L169 PolarHBondContact O-N 3.5Å
166	T	94.6	Very high	94.5	Very high	25 Å²	25	60.8 Å²	60.8	15%	0.153	30%	0.296	C	S	.	.	H	α-helix	trans	-61.8	-42	179	51.8	0	0	0	0	111.7	F127 A159 A162 P163 N170 I171	F127-T166 HydrophobicContact CD1-CG2 4.02Å; F127-T166 HydrophobicContact CE1-CG2 4.31Å; A159-T166 HydrophobicContact CB-CG2 3.8Å; A159-T166 WeakPolarHBondContact O-CG2 3.31Å; A162-T166 WeakPolarHBondContact O-CG2 3.25Å; A162-T166 PolarHBondContact O-N 3.33Å; A162-T166 PolarHBondContact O-OG1 2.92Å; A162-T166 VanDerWaalsContact O-OG1 3.06Å; P163-T166 VanDerWaalsContact CA-OG1 3.27Å; P163-T166 WeakPolarHBondContact CA-OG1 3.12Å; P163-T166 PolarHBondContact O-OG1 3.42Å; P163-T166 VanDerWaalsContact O-OG1 3.06Å; T166-N170 WeakPolarHBondContact O-CA 3.33Å; T166-N170 PolarHBondContact O-N 3.25Å; T166-I171 HydrophobicContact CG2-CB 4.41Å; T166-I171 HydrophobicContact CG2-CD1 4.48Å; T166-I171 PolarHBondContact O-N 2.71Å
167	K	95.3	Very high	94.5	Very high	179 Å²	179	59.2 Å²	59.2	78%	0.778	29%	0.289	S	S	*	.	H	α-helix	trans	-66.5	-46	174.4	-172.4	175	-178.2	177.4	0	112.4	P163 L165 N170	P163-K167 VanDerWaalsContact O-CB 3.25Å; P163-K167 WeakPolarHBondContact O-CB 3.4Å; P163-K167 PolarHBondContact O-N 3.2Å; P163-K167 VanDerWaalsContact O-N 3.08Å; L165-K167 VanDerWaalsContact C-N 3.34Å; L165-K167 PolarHBondContact O-N 2.69Å; K167-N170 PolarHBondContact O-N 3.29Å
168	R	93.8	Very high	94.5	Very high	169 Å²	169	59.1 Å²	59.1	64%	0.638	29%	0.289	S	S	*	.	H	α-helix	trans	-67.2	-36.8	-177.6	-177	174.9	179	168.6	0.1	112.8	F164 L165 N170	F164-R168 WeakPolarHBondContact O-CB 3.32Å; F164-R168 PolarHBondContact O-N 2.98Å; L165-R168 PolarHBondContact O-N 3.19Å; R168-N170 VanDerWaalsContact C-N 3.32Å
169	L	93.6	Very high	94.6	Very high	23 Å²	23	58.9 Å²	58.9	12%	0.12	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	2.6	178.9	-62.2	175	0	0	0	113	F112 F127 L165 I171 I178 V185 R188	F112-L169 HydrophobicContact CZ-CD1 4.44Å; F127-L169 HydrophobicContact CE2-CD1 4.04Å; F127-L169 HydrophobicContact CZ-CD1 3.68Å; L165-L169 VanDerWaalsContact O-CB 3.27Å; L165-L169 WeakPolarHBondContact O-CB 3.27Å; L165-L169 WeakPolarHBondContact O-CG 3.4Å; L165-L169 PolarHBondContact O-N 3.5Å; L169-I171 HydrophobicContact CB-CD1 4.02Å; L169-I171 HydrophobicContact CB-CG1 3.9Å; L169-I171 HydrophobicContact CD1-CD1 4.41Å; L169-I171 PolarHBondContact O-N 2.96Å; L169-I178 HydrophobicContact CD1-CG1 4.3Å; L169-I178 HydrophobicContact CD1-CG2 4.44Å; L169-V185 HydrophobicContact CD2-CG2 3.82Å; L169-R188 PolarHBondContact O-NH1 3.45Å; L169-R188 PolarHBondContact O-NH2 3.17Å
170	N	94.4	Very high	94.6	Very high	112 Å²	112	58.6 Å²	58.6	60%	0.599	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	52	-179.7	-157.4	38.4	0	0	0	113.1	T166 K167 R168 L172	T166-N170 WeakPolarHBondContact O-CA 3.33Å; T166-N170 PolarHBondContact O-N 3.25Å; K167-N170 PolarHBondContact O-N 3.29Å; R168-N170 VanDerWaalsContact C-N 3.32Å; N170-L172 PolarHBondContact O-N 3.07Å
171	I	94.4	Very high	94.7	Very high	19 Å²	19	56.1 Å²	56.1	10%	0.097	27%	0.272	C	S	.	.			trans	-87.8	105.1	-178.6	-56	179	0	0	0	108.6	F127 T166 L169 T176 I178	F127-I171 HydrophobicContact CB-CD1 3.99Å; F127-I171 HydrophobicContact CB-CG2 4.37Å; F127-I171 HydrophobicContact CD1-CD1 3.35Å; F127-I171 HydrophobicContact CD2-CD1 3.36Å; F127-I171 HydrophobicContact CE1-CD1 3.53Å; F127-I171 HydrophobicContact CE2-CD1 3.55Å; F127-I171 HydrophobicContact CG-CD1 3.26Å; F127-I171 HydrophobicContact CZ-CD1 3.63Å; T166-I171 HydrophobicContact CG2-CB 4.41Å; T166-I171 HydrophobicContact CG2-CD1 4.48Å; T166-I171 PolarHBondContact O-N 2.71Å; L169-I171 HydrophobicContact CB-CD1 4.02Å; L169-I171 HydrophobicContact CB-CG1 3.9Å; L169-I171 HydrophobicContact CD1-CD1 4.41Å; L169-I171 PolarHBondContact O-N 2.96Å; I171-T176 HydrophobicContact CG2-CG2 4.47Å; I171-I178 HydrophobicContact CD1-CG1 4.27Å
172	L	92.5	Very high	94.6	Very high	146 Å²	146	55.7 Å²	55.7	76%	0.764	28%	0.276	S	S	*	.			trans	-103.9	-31.9	-179.4	-61	174.9	0	0	0	112.6	N170	N170-L172 PolarHBondContact O-N 3.07Å
173	V	93.7	Very high	94.5	Very high	78 Å²	78	62 Å²	62	47%	0.473	31%	0.305	S	S	.	.	S	Bend	trans	-113.2	140.3	-175.3	178.6	0	0	0	0	109.2	T176 V190	V173-T176 PolarHBondContact O-OG1 2.87Å; V173-V190 HydrophobicContact CB-CG1 3.68Å; V173-V190 HydrophobicContact CG1-CG1 3.94Å; V173-V190 HydrophobicContact CG2-CG1 4.29Å
174	I	94.1	Very high	94.4	Very high	43 Å²	43	65.5 Å²	65.5	22%	0.221	31%	0.312	C	S	.	.	S	Bend	trans	-125.3	134.7	177.6	-66.5	178.5	0	0	0	108.4	R129 C135 A159	R129-I174 HydrophobicContact CB-CD1 4.15Å; R129-I174 HydrophobicContact CB-CG2 4.13Å; C135-I174 VanDerWaalsContact SG-CG2 3.54Å; A159-I174 HydrophobicContact CB-CD1 3.4Å; A159-I174 VanDerWaalsContact CB-CD1 3.4Å
175	P	95.7	Very high	94.5	Very high	3 Å²	3	63.6 Å²	63.6	2%	0.019	31%	0.309	C	S	.	.	S	Bend	cis	-77.2	149.1	4.3	31	-34.7	0	0	0	113.7	H126 R134 L138 G191 F192	H126-P175 WeakPolarHBondContact NE2-CB 3.21Å; R134-P175 HydrophobicContact CB-CG 4.18Å; L138-P175 HydrophobicContact CD1-CB 3.53Å; L138-P175 HydrophobicContact CD1-CG 3.71Å; P175-G191 WeakPolarHBondContact O-CA 3.27Å; P175-G191 PolarHBondContact O-N 3.21Å; P175-F192 HydrophobicContact CG-CD1 4.47Å; P175-F192 HydrophobicContact CG-CE1 3.81Å; P175-F192 HydrophobicContact CG-CZ 4.42Å
176	T	96.8	Very high	94.5	Very high	1 Å²	1	66.8 Å²	66.8	1%	0.006	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	133.3	169.3	-71.7	0	0	0	0	109.6	F127 I171 V173 I178 I189 V190	F127-T176 PolarHBondContact N-O 3.28Å; F127-T176 PolarHBondContact O-N 3.4Å; I171-T176 HydrophobicContact CG2-CG2 4.47Å; V173-T176 PolarHBondContact O-OG1 2.87Å; T176-I178 HydrophobicContact CG2-CD1 3.96Å; T176-I178 HydrophobicContact CG2-CG1 4.31Å; T176-I189 CarbonylContact C-O 3.57Å; T176-I189 WeakPolarHBondContact CA-O 3.41Å; T176-V190 HydrophobicContact CG2-CG2 4.38Å
177	L	97.3	Very high	94.6	Very high	2 Å²	2	67.7 Å²	67.7	1%	0.01	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	132.7	168.9	-55.9	176.3	0	0	0	109.6	V124 C125 H126 L138 L142 R188 I189 L206	V124-L177 HydrophobicContact CG1-CD2 4.43Å; C125-L177 WeakPolarHBondContact O-CA 3.41Å; H126-L177 HydrophobicContact CB-CD2 3.54Å; L138-L177 HydrophobicContact CD1-CD2 4.21Å; L138-L177 HydrophobicContact CD1-CG 4.31Å; L138-L177 HydrophobicContact CD2-CD1 4.09Å; L142-L177 HydrophobicContact CD1-CD2 3.91Å; L177-R188 WeakPolarHBondContact O-CA 3.42Å; L177-I189 HydrophobicContact CB-CB 4.15Å; L177-I189 HydrophobicContact CB-CD1 4.4Å; L177-I189 HydrophobicContact CD1-CB 4.49Å; L177-I189 HydrophobicContact CD1-CD1 3.97Å; L177-I189 PolarHBondContact N-O 2.55Å; L177-I189 PolarHBondContact O-N 2.97Å; L177-L206 HydrophobicContact CD1-CD1 3.83Å
178	I	97	Very high	94.6	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	124.7	172.2	-62.3	-63.3	0	0	0	108.5	C125 F127 L169 I171 T176 V180 V185 R188	C125-I178 PolarHBondContact N-O 2.76Å; C125-I178 PolarHBondContact O-N 3.36Å; F127-I178 HydrophobicContact CD2-CG1 3.86Å; F127-I178 HydrophobicContact CE2-CB 4.07Å; F127-I178 HydrophobicContact CE2-CG1 3.61Å; L169-I178 HydrophobicContact CD1-CG1 4.3Å; L169-I178 HydrophobicContact CD1-CG2 4.44Å; I171-I178 HydrophobicContact CD1-CG1 4.27Å; T176-I178 HydrophobicContact CG2-CD1 3.96Å; T176-I178 HydrophobicContact CG2-CG1 4.31Å; I178-V180 HydrophobicContact CG2-CG2 3.99Å; I178-V185 HydrophobicContact CG2-CB 4.47Å; I178-V185 HydrophobicContact CG2-CG1 3.86Å; I178-V185 HydrophobicContact CG2-CG2 3.84Å; I178-R188 HydrophobicContact CD1-CB 3.94Å
179	L	97.2	Very high	94.7	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	120.5	179.1	-48.7	-166.9	0	0	0	108.8	V124 V185 C186 D187 I189 L210 V215	V124-L179 HydrophobicContact CB-CD2 4.32Å; V124-L179 HydrophobicContact CG1-CD2 3.9Å; V124-L179 HydrophobicContact CG2-CD2 3.91Å; L179-V185 CarbonylContact O-C 3.44Å; L179-V185 WeakPolarHBondContact O-CA 3.27Å; L179-C186 PolarHBondContact O-N 2.91Å; L179-D187 HydrophobicContact CB-CB 4.19Å; L179-D187 HydrophobicContact CD1-CB 4.05Å; L179-D187 HydrophobicContact CG-CB 4.3Å; L179-D187 PolarHBondContact N-O 3Å; L179-I189 HydrophobicContact CD1-CD1 4.37Å; L179-L210 HydrophobicContact CD1-CD2 4.03Å; L179-L210 HydrophobicContact CD2-CD2 3.39Å; L179-L210 HydrophobicContact CG-CD2 4.41Å; L179-V215 HydrophobicContact CB-CG1 3.97Å; L179-V215 HydrophobicContact CB-CG2 4.41Å; L179-V215 HydrophobicContact CD1-CG2 4.08Å; L179-V215 HydrophobicContact CD2-CG2 4.34Å
180	V	96.2	Very high	94.8	Very high	5 Å²	5	56.4 Å²	56.4	3%	0.03	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	133.7	-178.2	-177.3	0	0	0	0	109.4	F112 C116 G122 L123 I178 K184 V185	F112-V180 HydrophobicContact CZ-CG2 4.33Å; C116-V180 HydrophobicContact CB-CG1 4.46Å; G122-V180 CarbonylContact C-O 3.55Å; G122-V180 WeakPolarHBondContact CA-O 3.43Å; L123-V180 HydrophobicContact CB-CB 4.27Å; L123-V180 HydrophobicContact CD2-CB 4.24Å; L123-V180 HydrophobicContact CD2-CG2 4.1Å; L123-V180 PolarHBondContact N-O 3.46Å; L123-V180 PolarHBondContact O-N 3.33Å; I178-V180 HydrophobicContact CG2-CG2 3.99Å; V180-K184 CarbonylContact C-O 3.6Å; V180-K184 VanDerWaalsContact CA-O 3.29Å; V180-K184 WeakPolarHBondContact CA-O 3.34Å; V180-K184 WeakPolarHBondContact CG1-O 3.49Å; V180-V185 HydrophobicContact CG2-CG2 4.28Å
181	K	94.6	Very high	94.8	Very high	58 Å²	58	51.7 Å²	51.7	25%	0.252	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	136	171.9	-175.4	173.4	-171.6	164.4	0	109	E183 K184 C186 K214 V215	K181-E183 VanDerWaalsContact C-N 3.27Å; K181-E183 PolarHBondContact O-N 3.06Å; K181-K184 PolarHBondContact N-O 3.3Å; K181-K184 PolarHBondContact O-N 3.03Å; K181-K184 VanDerWaalsContact O-O 3.07Å; K181-C186 VanDerWaalsContact CB-SG 3.54Å; K181-K214 PolarHBondContact NZ-O 3.33Å; K181-V215 HydrophobicContact CB-CG1 4.42Å
182	N	91.5	Very high	94.8	Very high	116 Å²	116	51.1 Å²	51.1	62%	0.62	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.4	47.3	-177.1	-55.8	-22	0	0	0	112.3	K184	N182-K184 PolarHBondContact O-N 3.15Å
183	E	90.4	Very high	94.8	Very high	131 Å²	131	50.6 Å²	50.6	61%	0.612	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.4	6.9	-178.5	-51.6	-178.3	176.1	0	0	116	K181	K181-E183 VanDerWaalsContact C-N 3.27Å; K181-E183 PolarHBondContact O-N 3.06Å
184	K	92.7	Very high	94.6	Very high	158 Å²	158	50.6 Å²	50.6	69%	0.687	26%	0.258	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.3	142.8	179	-65.7	-179.2	-177.3	179.3	0	110.7	V180 K181 N182 C186	V180-K184 CarbonylContact C-O 3.6Å; V180-K184 VanDerWaalsContact CA-O 3.29Å; V180-K184 WeakPolarHBondContact CA-O 3.34Å; V180-K184 WeakPolarHBondContact CG1-O 3.49Å; K181-K184 PolarHBondContact N-O 3.3Å; K181-K184 PolarHBondContact O-N 3.03Å; K181-K184 VanDerWaalsContact O-O 3.07Å; N182-K184 PolarHBondContact O-N 3.15Å; K184-C186 PolarHBondContact O-N 3.08Å
185	V	94.8	Very high	94.5	Very high	65 Å²	65	48.6 Å²	48.6	39%	0.394	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	117	171.2	178.4	0	0	0	0	108	L169 I178 L179 V180	L169-V185 HydrophobicContact CD2-CG2 3.82Å; I178-V185 HydrophobicContact CG2-CB 4.47Å; I178-V185 HydrophobicContact CG2-CG1 3.86Å; I178-V185 HydrophobicContact CG2-CG2 3.84Å; L179-V185 CarbonylContact O-C 3.44Å; L179-V185 WeakPolarHBondContact O-CA 3.27Å; V180-V185 HydrophobicContact CG2-CG2 4.28Å
186	C	94.5	Very high	94.1	Very high	70 Å²	70	49.9 Å²	49.9	47%	0.473	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	-35.2	179.6	-69	0	0	0	0	112	L179 K181 K184	L179-C186 PolarHBondContact O-N 2.91Å; K181-C186 VanDerWaalsContact CB-SG 3.54Å; K184-C186 PolarHBondContact O-N 3.08Å
187	D	95.2	Very high	93.8	Very high	44 Å²	44	52.3 Å²	52.3	24%	0.235	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	164.2	-171.8	-163	5.1	0	0	0	110.8	L179 R209	L179-D187 HydrophobicContact CB-CB 4.19Å; L179-D187 HydrophobicContact CD1-CB 4.05Å; L179-D187 HydrophobicContact CG-CB 4.3Å; L179-D187 PolarHBondContact N-O 3Å; D187-R209 IonicContact OD1-NH2 2.83Å; D187-R209 PolarHBondContact OD1-NH2 3.4Å; D187-R209 IonicContact OD2-CZ 2.69Å; D187-R209 IonicContact OD2-NH1 3.5Å; D187-R209 PolarHBondContact OD2-NH1 2.9Å; D187-R209 IonicContact OD2-NH2 3.1Å; D187-R209 PolarHBondContact OD2-NH2 2.82Å
188	R	95.6	Very high	93.6	Very high	86 Å²	86	56.1 Å²	56.1	33%	0.325	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	143.5	178.1	60.6	177.7	57.1	-114	1.7	110.2	L169 L177 I178 V190	L169-R188 PolarHBondContact O-NH1 3.45Å; L169-R188 PolarHBondContact O-NH2 3.17Å; L177-R188 WeakPolarHBondContact O-CA 3.42Å; I178-R188 HydrophobicContact CD1-CB 3.94Å; R188-V190 HydrophobicContact CG-CG2 4.48Å
189	I	96.1	Very high	93.3	Very high	2 Å²	2	58.6 Å²	58.6	1%	0.01	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	116.5	173.4	-55.7	161.5	0	0	0	106.3	T176 L177 L179 E194 L195 R209 L210	T176-I189 CarbonylContact C-O 3.57Å; T176-I189 WeakPolarHBondContact CA-O 3.41Å; L177-I189 HydrophobicContact CB-CB 4.15Å; L177-I189 HydrophobicContact CB-CD1 4.4Å; L177-I189 HydrophobicContact CD1-CB 4.49Å; L177-I189 HydrophobicContact CD1-CD1 3.97Å; L177-I189 PolarHBondContact N-O 2.55Å; L177-I189 PolarHBondContact O-N 2.97Å; L179-I189 HydrophobicContact CD1-CD1 4.37Å; I189-E194 HydrophobicContact CG2-CB 4.38Å; I189-L195 HydrophobicContact CG2-CG 4.39Å; I189-R209 HydrophobicContact CD1-CB 4.48Å; I189-R209 HydrophobicContact CD1-CG 3.53Å; I189-R209 HydrophobicContact CG1-CG 3.98Å; I189-L210 HydrophobicContact CD1-CD2 4.2Å
190	V	95.8	Very high	93.1	Very high	46 Å²	46	66.6 Å²	66.6	28%	0.279	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	121.4	-176.6	-176.5	0	0	0	0	109	V173 T176 R188	V173-V190 HydrophobicContact CB-CG1 3.68Å; V173-V190 HydrophobicContact CG1-CG1 3.94Å; V173-V190 HydrophobicContact CG2-CG1 4.29Å; T176-V190 HydrophobicContact CG2-CG2 4.38Å; R188-V190 HydrophobicContact CG-CG2 4.48Å
191	G	93.9	Very high	92.9	Very high	12 Å²	12	66.7 Å²	66.7	12%	0.124	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.4	-145.3	-176.4	0	0	0	0	0	112.2	P175	P175-G191 WeakPolarHBondContact O-CA 3.27Å; P175-G191 PolarHBondContact O-N 3.21Å
192	F	94.4	Very high	92.9	Very high	7 Å²	7	65.6 Å²	65.6	3%	0.031	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.7	5.9	-179.9	-62.5	-15.6	0	0	0	113.1	R134 I137 L138 P175 E194 L195 G196 G197 D199 F201	R134-F192 HydrophobicContact CB-CE1 4.39Å; R134-F192 HydrophobicContact CB-CE2 3.84Å; R134-F192 HydrophobicContact CB-CZ 3.6Å; R134-F192 HydrophobicContact CG-CD2 4.42Å; R134-F192 HydrophobicContact CG-CE2 3.67Å; R134-F192 HydrophobicContact CG-CZ 4Å; R134-F192 WeakPolarHBondContact O-CZ 3.29Å; I137-F192 HydrophobicContact CB-CZ 4.09Å; I137-F192 HydrophobicContact CD1-CE2 3.9Å; I137-F192 HydrophobicContact CD1-CZ 4.22Å; I137-F192 HydrophobicContact CG2-CZ 4.25Å; L138-F192 HydrophobicContact CD1-CE1 3.95Å; L138-F192 HydrophobicContact CD2-CE1 4.45Å; L138-F192 HydrophobicContact CG-CE1 3.86Å; P175-F192 HydrophobicContact CG-CD1 4.47Å; P175-F192 HydrophobicContact CG-CE1 3.81Å; P175-F192 HydrophobicContact CG-CZ 4.42Å; F192-E194 PolarHBondContact O-N 2.88Å; F192-L195 HydrophobicContact CD1-CD1 4.27Å; F192-L195 CarbonylContact O-C 3.51Å; F192-L195 WeakPolarHBondContact O-CA 3.27Å; F192-L195 PolarHBondContact O-N 2.86Å; F192-G196 PolarHBondContact O-N 3.41Å; F192-G197 WeakPolarHBondContact O-CA 3.18Å; F192-G197 PolarHBondContact O-N 2.63Å; F192-D199 WeakPolarHBondContact CD2-OD1 3.39Å; F192-D199 HydrophobicContact CE2-CB 4.44Å; F192-D199 WeakPolarHBondContact CE2-OD1 3.29Å; F192-F201 AromaticContact CD1-CE1 3.92Å; F192-F201 HydrophobicContact CD1-CE1 3.92Å; F192-F201 HydrophobicContact CD2-CE1 4.12Å; F192-F201 AromaticContact CE1-CE1 3.93Å; F192-F201 HydrophobicContact CE1-CE1 3.93Å; F192-F201 HydrophobicContact CE1-CZ 4.41Å; F192-F201 HydrophobicContact CE2-CE1 4.08Å; F192-F201 HydrophobicContact CG-CE1 4.05Å; F192-F201 AromaticContact CZ-CE1 3.99Å; F192-F201 HydrophobicContact CZ-CE1 3.99Å
193	D	92.5	Very high	93.1	Very high	136 Å²	136	61.5 Å²	61.5	73%	0.727	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-58	-41.4	-173.5	-62.1	-16.1	0	0	0	111	L195	D193-L195 VanDerWaalsContact C-N 3.31Å; D193-L195 PolarHBondContact O-N 3.36Å
194	E	90.2	Very high	93.3	Very high	78 Å²	78	57.1 Å²	57.1	36%	0.364	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-80.2	-8.9	177.4	-60.9	176.4	-155.8	0	0	114.1	I189 F192 M205 R209	I189-E194 HydrophobicContact CG2-CB 4.38Å; F192-E194 PolarHBondContact O-N 2.88Å; E194-M205 VanDerWaalsContact O-CE 3.3Å; E194-M205 WeakPolarHBondContact O-CE 3.45Å; E194-R209 IonicContact OE2-CZ 3.37Å; E194-R209 IonicContact OE2-NE 3.06Å; E194-R209 PolarHBondContact OE2-NE 2.86Å; E194-R209 IonicContact OE2-NH2 3.02Å; E194-R209 PolarHBondContact OE2-NH2 3.09Å
195	L	92.4	Very high	93.4	Very high	1 Å²	1	50 Å²	50	1%	0.005	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-103.3	10.5	179.5	-58.1	177.1	0	0	0	112.3	L138 I189 F192 D193 F201 L206 R209	L138-L195 HydrophobicContact CD2-CD1 4.28Å; I189-L195 HydrophobicContact CG2-CG 4.39Å; F192-L195 HydrophobicContact CD1-CD1 4.27Å; F192-L195 CarbonylContact O-C 3.51Å; F192-L195 WeakPolarHBondContact O-CA 3.27Å; F192-L195 PolarHBondContact O-N 2.86Å; D193-L195 VanDerWaalsContact C-N 3.31Å; D193-L195 PolarHBondContact O-N 3.36Å; L195-F201 HydrophobicContact CB-CB 4.46Å; L195-F201 HydrophobicContact CB-CD1 4.04Å; L195-F201 HydrophobicContact CB-CD2 4.32Å; L195-F201 HydrophobicContact CB-CE1 4.39Å; L195-F201 HydrophobicContact CB-CG 4.01Å; L195-F201 HydrophobicContact CD1-CD1 4.4Å; L195-F201 HydrophobicContact CD1-CD2 4.36Å; L195-F201 HydrophobicContact CD1-CE1 3.94Å; L195-F201 HydrophobicContact CD1-CE2 3.91Å; L195-F201 HydrophobicContact CD1-CZ 3.68Å; L195-F201 VanDerWaalsContact O-CB 3.25Å; L195-F201 WeakPolarHBondContact O-CB 3.37Å; L195-L206 HydrophobicContact CD1-CD1 3.97Å; L195-L206 HydrophobicContact CD2-CB 4.48Å; L195-L206 HydrophobicContact CD2-CD1 3.94Å; L195-R209 HydrophobicContact CD2-CB 3.83Å; L195-R209 HydrophobicContact CD2-CG 3.99Å
196	G	87.8	Confident	93.4	Very high	30 Å²	30	46.9 Å²	46.9	31%	0.309	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	112.2	-3	-179.8	0	0	0	0	0	114.6	F192 H198	F192-G196 PolarHBondContact O-N 3.41Å; G196-H198 PolarHBondContact O-CD2 3.02Å; G196-H198 VanDerWaalsContact O-CD2 3.24Å; G196-H198 PolarHBondContact O-N 3.48Å
197	G	90.4	Very high	93.5	Very high	51 Å²	51	45 Å²	45	53%	0.526	25%	0.254	S	S	.	.	S	Bend	trans	71.5	14.4	176.1	0	0	0	0	0	114.6	F192	F192-G197 WeakPolarHBondContact O-CA 3.18Å; F192-G197 PolarHBondContact O-N 2.63Å
198	H	91.5	Very high	93.5	Very high	82 Å²	82	44.5 Å²	44.5	38%	0.38	25%	0.249	S	C	.	.	S	Bend	trans	-134.8	162.4	179.2	59.7	68.9	0	0	0	111.4	G196 E200	G196-H198 PolarHBondContact O-CD2 3.02Å; G196-H198 VanDerWaalsContact O-CD2 3.24Å; G196-H198 PolarHBondContact O-N 3.48Å; H198-E200 VanDerWaalsContact C-N 3.33Å; H198-E200 VanDerWaalsContact CE1-C 3.41Å; H198-E200 PolarHBondContact CE1-O 3.32Å; H198-E200 VanDerWaalsContact ND1-C 3.27Å; H198-E200 PolarHBondContact ND1-N 3.18Å; H198-E200 PolarHBondContact ND1-O 2.61Å; H198-E200 PolarHBondContact O-N 3.16Å
199	D	92.6	Very high	93.4	Very high	53 Å²	53	41.4 Å²	41.4	28%	0.283	24%	0.238	S	C	.	.	S	Bend	trans	-75	-22.8	-175.2	-67	-14.3	0	0	0	112.7	R134 I137 F192 F201	R134-D199 IonicContact CZ-OD1 3.2Å; R134-D199 IonicContact NE-OD1 2.83Å; R134-D199 PolarHBondContact NE-OD1 2.98Å; R134-D199 IonicContact NE-OD2 2.87Å; R134-D199 IonicContact NH2-OD1 3.66Å; I137-D199 HydrophobicContact CD1-CB 3.72Å; F192-D199 WeakPolarHBondContact CD2-OD1 3.39Å; F192-D199 HydrophobicContact CE2-CB 4.44Å; F192-D199 WeakPolarHBondContact CE2-OD1 3.29Å; D199-F201 PolarHBondContact O-N 2.88Å
200	E	91.5	Very high	93.5	Very high	167 Å²	167	41.3 Å²	41.3	78%	0.78	24%	0.237	S	C	*	.			trans	-100	53.5	-174.3	-61.6	-60.4	143.5	0	0	113.8	H198	H198-E200 VanDerWaalsContact C-N 3.33Å; H198-E200 VanDerWaalsContact CE1-C 3.41Å; H198-E200 PolarHBondContact CE1-O 3.32Å; H198-E200 VanDerWaalsContact ND1-C 3.27Å; H198-E200 PolarHBondContact ND1-N 3.18Å; H198-E200 PolarHBondContact ND1-O 2.61Å; H198-E200 PolarHBondContact O-N 3.16Å
201	F	92.9	Very high	93.4	Very high	7 Å²	7	39.3 Å²	39.3	3%	0.031	23%	0.225	C	C	.	.			trans	-86	152.2	175.1	63	-93.1	0	0	0	112.1	I137 L138 H141 F192 L195 D199 L206	I137-F201 HydrophobicContact CG2-CE1 3.98Å; I137-F201 HydrophobicContact CG2-CZ 4.08Å; L138-F201 HydrophobicContact CD2-CZ 3.94Å; H141-F201 AromaticContact CD2-CE2 3.54Å; H141-F201 AromaticContact CD2-CZ 3.73Å; H141-F201 PolarHBondContact CE1-O 2.86Å; H141-F201 VanDerWaalsContact CE1-O 3.29Å; H141-F201 AromaticContact NE2-CE2 3.82Å; F192-F201 AromaticContact CD1-CE1 3.92Å; F192-F201 HydrophobicContact CD1-CE1 3.92Å; F192-F201 HydrophobicContact CD2-CE1 4.12Å; F192-F201 AromaticContact CE1-CE1 3.93Å; F192-F201 HydrophobicContact CE1-CE1 3.93Å; F192-F201 HydrophobicContact CE1-CZ 4.41Å; F192-F201 HydrophobicContact CE2-CE1 4.08Å; F192-F201 HydrophobicContact CG-CE1 4.05Å; F192-F201 AromaticContact CZ-CE1 3.99Å; F192-F201 HydrophobicContact CZ-CE1 3.99Å; L195-F201 HydrophobicContact CB-CB 4.46Å; L195-F201 HydrophobicContact CB-CD1 4.04Å; L195-F201 HydrophobicContact CB-CD2 4.32Å; L195-F201 HydrophobicContact CB-CE1 4.39Å; L195-F201 HydrophobicContact CB-CG 4.01Å; L195-F201 HydrophobicContact CD1-CD1 4.4Å; L195-F201 HydrophobicContact CD1-CD2 4.36Å; L195-F201 HydrophobicContact CD1-CE1 3.94Å; L195-F201 HydrophobicContact CD1-CE2 3.91Å; L195-F201 HydrophobicContact CD1-CZ 3.68Å; L195-F201 VanDerWaalsContact O-CB 3.25Å; L195-F201 WeakPolarHBondContact O-CB 3.37Å; D199-F201 PolarHBondContact O-N 2.88Å; F201-L206 HydrophobicContact CD2-CB 4.44Å; F201-L206 HydrophobicContact CE2-CB 4Å; F201-L206 HydrophobicContact CE2-CD2 4.47Å
202	S	94.3	Very high	93.5	Very high	35 Å²	35	41.6 Å²	41.6	25%	0.245	24%	0.237	C	C	.	.			trans	-75.9	153.1	179	71.3	0	0	0	0	112.1	A204 M205 L206 D227	S202-A204 PolarHBondContact O-N 3.27Å; S202-M205 WeakPolarHBondContact O-CB 3.48Å; S202-M205 PolarHBondContact O-N 3.11Å; S202-M205 PolarHBondContact OG-N 2.9Å; S202-M205 VanDerWaalsContact OG-N 3.16Å; S202-L206 PolarHBondContact O-N 2.83Å; S202-D227 WeakPolarHBondContact CB-OD2 3.49Å; S202-D227 PolarHBondContact N-OD2 3.45Å; S202-D227 VanDerWaalsContact OG-CG 3.24Å; S202-D227 PolarHBondContact OG-OD1 3.39Å; S202-D227 PolarHBondContact OG-OD2 3.46Å
203	T	95.2	Very high	93.4	Very high	31 Å²	31	41.7 Å²	41.7	19%	0.19	24%	0.24	C	C	.	.	H	α-helix	trans	-56.8	-32.5	171.3	-52.5	0	0	0	0	111.7	H141 L144 L145 M205 L206 E207	H141-T203 PolarHBondContact ND1-OG1 3.34Å; L144-T203 HydrophobicContact CB-CG2 4.39Å; L145-T203 HydrophobicContact CD1-CG2 4.29Å; L145-T203 HydrophobicContact CD2-CG2 3.71Å; L145-T203 HydrophobicContact CG-CG2 3.77Å; T203-M205 VanDerWaalsContact C-N 3.33Å; T203-M205 PolarHBondContact O-N 3.35Å; T203-L206 PolarHBondContact O-N 3.37Å; T203-E207 WeakPolarHBondContact O-CB 3.35Å; T203-E207 PolarHBondContact O-N 3.21Å
204	A	94.5	Very high	93.5	Very high	38 Å²	38	42 Å²	42	31%	0.314	24%	0.235	S	C	.	.	H	α-helix	trans	-65.4	-34.5	176.9	0	0	0	0	0	112.4	S202 E207 W208 P226	S202-A204 PolarHBondContact O-N 3.27Å; A204-E207 PolarHBondContact O-N 3.22Å; A204-W208 VanDerWaalsContact O-CB 3.27Å; A204-W208 WeakPolarHBondContact O-CB 3.4Å; A204-W208 PolarHBondContact O-N 3.39Å; A204-P226 HydrophobicContact CB-CB 4.24Å; A204-P226 HydrophobicContact CB-CG 3.97Å
205	M	94.4	Very high	93.7	Very high	8 Å²	8	38.3 Å²	38.3	4%	0.039	22%	0.217	C	C	.	.	H	α-helix	trans	-64.9	-43.8	175.6	-175.5	63.7	-170.1	0	0	111.5	E194 S202 T203 W208 R209 P225 P226 D227	E194-M205 VanDerWaalsContact O-CE 3.3Å; E194-M205 WeakPolarHBondContact O-CE 3.45Å; S202-M205 WeakPolarHBondContact O-CB 3.48Å; S202-M205 PolarHBondContact O-N 3.11Å; S202-M205 PolarHBondContact OG-N 2.9Å; S202-M205 VanDerWaalsContact OG-N 3.16Å; T203-M205 VanDerWaalsContact C-N 3.33Å; T203-M205 PolarHBondContact O-N 3.35Å; M205-W208 HydrophobicContact CE-CE3 4.19Å; M205-W208 HydrophobicContact CE-CZ3 4.14Å; M205-W208 HydrophobicContact SD-CE3 4.32Å; M205-R209 WeakPolarHBondContact O-CB 3.35Å; M205-R209 PolarHBondContact O-N 3.3Å; M205-P225 HydrophobicContact CE-CB 4.05Å; M205-P225 HydrophobicContact SD-CB 3.84Å; M205-P226 HydrophobicContact CB-CG 4.29Å; M205-P226 HydrophobicContact SD-CG 4.36Å; M205-D227 HydrophobicContact CB-CB 4.49Å; M205-D227 WeakPolarHBondContact CB-OD2 3.36Å; M205-D227 HydrophobicContact SD-CB 4.42Å
206	L	95.6	Very high	93.9	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-65.6	-43.6	174.7	-178.3	61.8	0	0	0	111.5	L138 H141 L142 L145 L177 L195 F201 S202 T203 R209 L210	L138-L206 HydrophobicContact CD2-CD1 4.27Å; L138-L206 HydrophobicContact CD2-CD2 3.96Å; H141-L206 HydrophobicContact CB-CD2 3.6Å; L142-L206 HydrophobicContact CD2-CD2 4.14Å; L142-L206 HydrophobicContact CG-CD2 4.34Å; L145-L206 HydrophobicContact CD1-CB 4.29Å; L145-L206 HydrophobicContact CD1-CD2 3.88Å; L145-L206 HydrophobicContact CD1-CG 3.91Å; L177-L206 HydrophobicContact CD1-CD1 3.83Å; L195-L206 HydrophobicContact CD1-CD1 3.97Å; L195-L206 HydrophobicContact CD2-CB 4.48Å; L195-L206 HydrophobicContact CD2-CD1 3.94Å; F201-L206 HydrophobicContact CD2-CB 4.44Å; F201-L206 HydrophobicContact CE2-CB 4Å; F201-L206 HydrophobicContact CE2-CD2 4.47Å; S202-L206 PolarHBondContact O-N 2.83Å; T203-L206 PolarHBondContact O-N 3.37Å; L206-R209 PolarHBondContact O-N 3.06Å; L206-L210 HydrophobicContact CD1-CG 4.41Å; L206-L210 HydrophobicContact CG-CD1 4.39Å; L206-L210 WeakPolarHBondContact O-CG 3.4Å; L206-L210 PolarHBondContact O-N 3.02Å
207	E	95.8	Very high	94.1	Very high	31 Å²	31	42.7 Å²	42.7	15%	0.145	23%	0.228	C	C	.	.	H	α-helix	trans	-55.8	-52.4	175.6	-166.2	177.9	159.3	0	0	111.2	L145 H149 T203 A204 R209 L210 A211 I216 Y218	L145-E207 HydrophobicContact CD1-CB 4.41Å; L145-E207 HydrophobicContact CD2-CB 3.81Å; L145-E207 HydrophobicContact CD2-CG 3.83Å; H149-E207 IonicContact CE1-OE1 4Å; H149-E207 IonicContact NE2-OE1 3.5Å; H149-E207 PolarHBondContact NE2-OE1 3.45Å; T203-E207 WeakPolarHBondContact O-CB 3.35Å; T203-E207 PolarHBondContact O-N 3.21Å; A204-E207 PolarHBondContact O-N 3.22Å; E207-R209 VanDerWaalsContact C-N 3.3Å; E207-R209 PolarHBondContact O-N 3.29Å; E207-L210 PolarHBondContact O-N 3.4Å; E207-A211 WeakPolarHBondContact O-CB 3.44Å; E207-A211 PolarHBondContact O-N 3.26Å; E207-I216 HydrophobicContact CG-CD1 3.71Å; E207-I216 VanDerWaalsContact O-CD1 3.25Å; E207-I216 WeakPolarHBondContact O-CD1 3.38Å; E207-Y218 HydrophobicContact CG-CD2 4.06Å; E207-Y218 HydrophobicContact CG-CE2 4.21Å
208	W	95.4	Very high	94.3	Very high	34 Å²	34	43.6 Å²	43.6	13%	0.129	22%	0.216	C	C	.	.	H	α-helix	trans	-55.1	-45.6	175.5	175.5	89.3	0	0	0	111.5	A204 M205 L210 A211 V212 D221 L222 P225 P226	A204-W208 VanDerWaalsContact O-CB 3.27Å; A204-W208 WeakPolarHBondContact O-CB 3.4Å; A204-W208 PolarHBondContact O-N 3.39Å; M205-W208 HydrophobicContact CE-CE3 4.19Å; M205-W208 HydrophobicContact CE-CZ3 4.14Å; M205-W208 HydrophobicContact SD-CE3 4.32Å; W208-L210 PolarHBondContact O-N 3.5Å; W208-A211 WeakPolarHBondContact O-CB 3.3Å; W208-A211 PolarHBondContact O-N 3.43Å; W208-A211 VanDerWaalsContact O-N 3.11Å; W208-V212 HydrophobicContact CD2-CG2 4.2Å; W208-V212 HydrophobicContact CE3-CG2 4.33Å; W208-V212 HydrophobicContact CH2-CG2 4.03Å; W208-V212 HydrophobicContact CZ2-CG2 3.9Å; W208-V212 HydrophobicContact CZ3-CG2 4.24Å; W208-V212 WeakPolarHBondContact O-CG2 3.38Å; W208-V212 PolarHBondContact O-N 3.5Å; W208-D221 PolarHBondContact NE1-O 3.12Å; W208-L222 VanDerWaalsContact CZ2-O 3.28Å; W208-L222 WeakPolarHBondContact CZ2-O 3.25Å; W208-L222 PolarHBondContact NE1-O 2.99Å; W208-P225 HydrophobicContact CD2-CB 4Å; W208-P225 HydrophobicContact CE3-CB 3.95Å; W208-P225 HydrophobicContact CH2-CB 3.9Å; W208-P225 HydrophobicContact CH2-CG 4.29Å; W208-P225 HydrophobicContact CZ2-CB 3.91Å; W208-P225 HydrophobicContact CZ2-CG 4.3Å; W208-P225 HydrophobicContact CZ3-CB 3.91Å; W208-P226 HydrophobicContact CB-CG 4.27Å
209	R	95.1	Very high	94.1	Very high	21 Å²	21	46 Å²	46	8%	0.079	24%	0.242	C	C	.	.	H	α-helix	trans	-65.3	-38	-179.3	-177.4	62.3	-168.5	86.6	-2.6	112.6	D187 I189 E194 L195 M205 L206 E207 A211 V212 G213	D187-R209 IonicContact OD1-NH2 2.83Å; D187-R209 PolarHBondContact OD1-NH2 3.4Å; D187-R209 IonicContact OD2-CZ 2.69Å; D187-R209 IonicContact OD2-NH1 3.5Å; D187-R209 PolarHBondContact OD2-NH1 2.9Å; D187-R209 IonicContact OD2-NH2 3.1Å; D187-R209 PolarHBondContact OD2-NH2 2.82Å; I189-R209 HydrophobicContact CD1-CB 4.48Å; I189-R209 HydrophobicContact CD1-CG 3.53Å; I189-R209 HydrophobicContact CG1-CG 3.98Å; E194-R209 IonicContact OE2-CZ 3.37Å; E194-R209 IonicContact OE2-NE 3.06Å; E194-R209 PolarHBondContact OE2-NE 2.86Å; E194-R209 IonicContact OE2-NH2 3.02Å; E194-R209 PolarHBondContact OE2-NH2 3.09Å; L195-R209 HydrophobicContact CD2-CB 3.83Å; L195-R209 HydrophobicContact CD2-CG 3.99Å; M205-R209 WeakPolarHBondContact O-CB 3.35Å; M205-R209 PolarHBondContact O-N 3.3Å; L206-R209 PolarHBondContact O-N 3.06Å; E207-R209 VanDerWaalsContact C-N 3.3Å; E207-R209 PolarHBondContact O-N 3.29Å; R209-A211 VanDerWaalsContact C-N 3.32Å; R209-V212 PolarHBondContact O-N 3.36Å; R209-G213 PolarHBondContact O-N 3.1Å
210	L	96.2	Very high	93.9	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-66.4	-35.8	172.9	-67.6	178.1	0	0	0	111.7	V124 L145 M154 L179 I189 L206 E207 W208 G213 K214 V215 I216	V124-L210 HydrophobicContact CG1-CD2 4.04Å; V124-L210 HydrophobicContact CG2-CD1 4.33Å; V124-L210 HydrophobicContact CG2-CD2 3.84Å; L145-L210 HydrophobicContact CD1-CD1 3.99Å; M154-L210 HydrophobicContact CE-CD1 4.15Å; L179-L210 HydrophobicContact CD1-CD2 4.03Å; L179-L210 HydrophobicContact CD2-CD2 3.39Å; L179-L210 HydrophobicContact CG-CD2 4.41Å; I189-L210 HydrophobicContact CD1-CD2 4.2Å; L206-L210 HydrophobicContact CD1-CG 4.41Å; L206-L210 HydrophobicContact CG-CD1 4.39Å; L206-L210 WeakPolarHBondContact O-CG 3.4Å; L206-L210 PolarHBondContact O-N 3.02Å; E207-L210 PolarHBondContact O-N 3.4Å; W208-L210 PolarHBondContact O-N 3.5Å; L210-G213 CarbonylContact O-C 3.58Å; L210-G213 WeakPolarHBondContact O-CA 3.46Å; L210-G213 PolarHBondContact O-N 3.31Å; L210-G213 VanDerWaalsContact O-N 3.17Å; L210-K214 PolarHBondContact O-N 2.91Å; L210-V215 HydrophobicContact CB-CG2 4.26Å; L210-V215 HydrophobicContact CD2-CG2 4.44Å; L210-V215 WeakPolarHBondContact O-CG2 3.37Å; L210-I216 HydrophobicContact CB-CD1 3.94Å; L210-I216 HydrophobicContact CB-CG1 4.13Å; L210-I216 HydrophobicContact CB-CG2 4.36Å
211	A	95.6	Very high	93.8	Very high	4 Å²	4	41.6 Å²	41.6	3%	0.033	23%	0.233	C	C	.	.	H	α-helix	trans	-67.1	-36.8	177.1	0	0	0	0	0	112.6	E207 W208 R209 G213 K214 I216 Y218 L222	E207-A211 WeakPolarHBondContact O-CB 3.44Å; E207-A211 PolarHBondContact O-N 3.26Å; W208-A211 WeakPolarHBondContact O-CB 3.3Å; W208-A211 PolarHBondContact O-N 3.43Å; W208-A211 VanDerWaalsContact O-N 3.11Å; R209-A211 VanDerWaalsContact C-N 3.32Å; A211-G213 PolarHBondContact O-N 3.29Å; A211-K214 WeakPolarHBondContact O-CA 3.36Å; A211-K214 PolarHBondContact O-N 3.44Å; A211-I216 HydrophobicContact CB-CD1 4.08Å; A211-I216 HydrophobicContact CB-CG1 3.92Å; A211-Y218 HydrophobicContact CB-CD1 3.86Å; A211-Y218 HydrophobicContact CB-CD2 4.2Å; A211-Y218 HydrophobicContact CB-CG 3.56Å; A211-L222 HydrophobicContact CB-CD2 3.53Å
212	V	94.5	Very high	93.6	Very high	60 Å²	60	44.9 Å²	44.9	36%	0.364	25%	0.25	S	S	.	.	H	α-helix	trans	-56.8	-39.4	170.4	173.8	0	0	0	0	110.9	W208 R209 K214 L222	W208-V212 HydrophobicContact CD2-CG2 4.2Å; W208-V212 HydrophobicContact CE3-CG2 4.33Å; W208-V212 HydrophobicContact CH2-CG2 4.03Å; W208-V212 HydrophobicContact CZ2-CG2 3.9Å; W208-V212 HydrophobicContact CZ3-CG2 4.24Å; W208-V212 WeakPolarHBondContact O-CG2 3.38Å; W208-V212 PolarHBondContact O-N 3.5Å; R209-V212 PolarHBondContact O-N 3.36Å; V212-K214 PolarHBondContact O-N 3.37Å; V212-L222 HydrophobicContact CG2-CD2 4.42Å
213	G	93.2	Very high	93.3	Very high	9 Å²	9	48.6 Å²	48.6	9%	0.093	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-3.9	172.9	0	0	0	0	0	114.9	R209 L210 A211 V215	R209-G213 PolarHBondContact O-N 3.1Å; L210-G213 CarbonylContact O-C 3.58Å; L210-G213 WeakPolarHBondContact O-CA 3.46Å; L210-G213 PolarHBondContact O-N 3.31Å; L210-G213 VanDerWaalsContact O-N 3.17Å; A211-G213 PolarHBondContact O-N 3.29Å; G213-V215 PolarHBondContact O-N 3.12Å
214	K	93.6	Very high	92.8	Very high	142 Å²	142	50.4 Å²	50.4	62%	0.617	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.4	29.5	178.8	-55.4	178.8	-179.1	176.2	0	114.4	K181 L210 A211 V212	K181-K214 PolarHBondContact NZ-O 3.33Å; L210-K214 PolarHBondContact O-N 2.91Å; A211-K214 WeakPolarHBondContact O-CA 3.36Å; A211-K214 PolarHBondContact O-N 3.44Å; V212-K214 PolarHBondContact O-N 3.37Å
215	V	94.9	Very high	92.4	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	28%	0.276	C	S	.	.			trans	-98.7	-10.2	178.4	-68	0	0	0	0	114	F121 V124 C152 L179 K181 L210 G213	F121-V215 VanDerWaalsContact CD1-O 3.29Å; F121-V215 WeakPolarHBondContact CD1-O 3.4Å; F121-V215 WeakPolarHBondContact CE1-O 3.45Å; V124-V215 HydrophobicContact CG2-CG2 4Å; C152-V215 WeakPolarHBondContact CB-O 3.31Å; C152-V215 PolarHBondContact SG-O 3.33Å; L179-V215 HydrophobicContact CB-CG1 3.97Å; L179-V215 HydrophobicContact CB-CG2 4.41Å; L179-V215 HydrophobicContact CD1-CG2 4.08Å; L179-V215 HydrophobicContact CD2-CG2 4.34Å; K181-V215 HydrophobicContact CB-CG1 4.42Å; L210-V215 HydrophobicContact CB-CG2 4.26Å; L210-V215 HydrophobicContact CD2-CG2 4.44Å; L210-V215 WeakPolarHBondContact O-CG2 3.37Å; G213-V215 PolarHBondContact O-N 3.12Å
216	I	95.9	Very high	92	Very high	9 Å²	9	51.6 Å²	51.6	5%	0.046	29%	0.288	C	S	.	.	S	Bend	trans	-125.2	157.5	173.4	63.5	167.8	0	0	0	110.7	H149 C152 M154 E207 L210 A211	H149-I216 HydrophobicContact CB-CB 4.46Å; H149-I216 HydrophobicContact CB-CG2 4.15Å; C152-I216 HydrophobicContact CB-CG2 3.72Å; M154-I216 HydrophobicContact CE-CG2 4.17Å; E207-I216 HydrophobicContact CG-CD1 3.71Å; E207-I216 VanDerWaalsContact O-CD1 3.25Å; E207-I216 WeakPolarHBondContact O-CD1 3.38Å; L210-I216 HydrophobicContact CB-CD1 3.94Å; L210-I216 HydrophobicContact CB-CG1 4.13Å; L210-I216 HydrophobicContact CB-CG2 4.36Å; A211-I216 HydrophobicContact CB-CD1 4.08Å; A211-I216 HydrophobicContact CB-CG1 3.92Å
217	K	93.6	Very high	91.2	Very high	114 Å²	114	52.8 Å²	52.8	50%	0.496	29%	0.294	S	S	.	.			trans	-83.8	115.4	167.7	-69.3	175	-177.8	179.7	0	108.5	F121 H149 E151	F121-K217 HydrophobicContact CE1-CG 4.15Å; F121-K217 HydrophobicContact CE2-CG 4Å; F121-K217 HydrophobicContact CZ-CG 3.55Å; H149-K217 PolarHBondContact CE1-O 3.24Å; H149-K217 PolarHBondContact ND1-O 2.81Å; E151-K217 HydrophobicContact CG-CB 4.48Å; E151-K217 HydrophobicContact CG-CD 4.16Å; E151-K217 HydrophobicContact CG-CG 4.03Å; E151-K217 WeakPolarHBondContact OE1-CB 3.15Å; E151-K217 PolarHBondContact OE1-N 3.3Å
218	Y	93.5	Very high	89.8	Confident	70 Å²	70	56.7 Å²	56.7	28%	0.275	31%	0.314	S	S	.	.			trans	-119.6	134	-178	-177.2	-111.4	0	0	0	110.2	E207 A211 G220 L222	E207-Y218 HydrophobicContact CG-CD2 4.06Å; E207-Y218 HydrophobicContact CG-CE2 4.21Å; A211-Y218 HydrophobicContact CB-CD1 3.86Å; A211-Y218 HydrophobicContact CB-CD2 4.2Å; A211-Y218 HydrophobicContact CB-CG 3.56Å; Y218-G220 WeakPolarHBondContact CD1-O 3.41Å; Y218-G220 VanDerWaalsContact CE1-O 3.3Å; Y218-G220 WeakPolarHBondContact CE1-O 3.37Å; Y218-L222 HydrophobicContact CD1-CD2 3.56Å; Y218-L222 HydrophobicContact CD1-CG 4.3Å; Y218-L222 HydrophobicContact CE1-CD2 3.93Å; Y218-L222 HydrophobicContact CG-CD2 4.48Å
219	S	88.6	Confident	87.9	Confident	132 Å²	132	61.3 Å²	61.3	92%	0.923	34%	0.341	S	S	*	.			trans	-101.5	8.5	-177.2	59.5	0	0	0	0	113.7
220	G	88.2	Confident	86	Confident	37 Å²	37	67.6 Å²	67.6	38%	0.381	37%	0.369	S	S	.	.	S	Bend	trans	-105.2	177.8	179.2	0	0	0	0	0	113.6	Y218	Y218-G220 WeakPolarHBondContact CD1-O 3.41Å; Y218-G220 VanDerWaalsContact CE1-O 3.3Å; Y218-G220 WeakPolarHBondContact CE1-O 3.37Å
221	D	88.7	Confident	83.7	Confident	91 Å²	91	77.3 Å²	77.3	49%	0.487	41%	0.411	S	S	.	.			trans	-74.1	128.7	174.6	-172.6	-1.5	0	0	0	110.9	W208 T223	W208-D221 PolarHBondContact NE1-O 3.12Å; D221-T223 WeakPolarHBondContact OD1-CB 3.38Å; D221-T223 WeakPolarHBondContact OD1-CG2 3.32Å; D221-T223 PolarHBondContact OD1-N 3.47Å; D221-T223 PolarHBondContact OD1-OG1 3.2Å; D221-T223 PolarHBondContact OD2-OG1 3.34Å
222	L	89.1	Confident	81	Confident	77 Å²	77	86.8 Å²	86.8	40%	0.403	45%	0.451	S	S	.	.	S	Bend	trans	-85.9	-10.9	178	-66.1	177.3	0	0	0	112.8	W208 A211 V212 Y218	W208-L222 VanDerWaalsContact CZ2-O 3.28Å; W208-L222 WeakPolarHBondContact CZ2-O 3.25Å; W208-L222 PolarHBondContact NE1-O 2.99Å; A211-L222 HydrophobicContact CB-CD2 3.53Å; V212-L222 HydrophobicContact CG2-CD2 4.42Å; Y218-L222 HydrophobicContact CD1-CD2 3.56Å; Y218-L222 HydrophobicContact CD1-CG 4.3Å; Y218-L222 HydrophobicContact CE1-CD2 3.93Å; Y218-L222 HydrophobicContact CG-CD2 4.48Å
223	T	86.7	Confident	78.4	Confident	112 Å²	112	89.1 Å²	89.1	69%	0.687	47%	0.471	S	S	*	.	S	Bend	trans	-82.3	-26.7	-178.3	70.3	0	0	0	0	112.7	D221	D221-T223 WeakPolarHBondContact OD1-CB 3.38Å; D221-T223 WeakPolarHBondContact OD1-CG2 3.32Å; D221-T223 PolarHBondContact OD1-N 3.47Å; D221-T223 PolarHBondContact OD1-OG1 3.2Å; D221-T223 PolarHBondContact OD2-OG1 3.34Å
224	V	85.4	Confident	75.6	Confident	69 Å²	69	95.4 Å²	95.4	42%	0.418	51%	0.507	S	S	.	.	S	Bend	trans	-116.3	110.1	-176.8	-174.8	0	0	0	0	110.8
225	P	87.1	Confident	73	Confident	27 Å²	27	93.6 Å²	93.6	18%	0.175	51%	0.512	C	S	.	.			trans	-69.2	137.4	174	24.3	-30.2	0	0	0	111.1	M205 W208 D227 M228	M205-P225 HydrophobicContact CE-CB 4.05Å; M205-P225 HydrophobicContact SD-CB 3.84Å; W208-P225 HydrophobicContact CD2-CB 4Å; W208-P225 HydrophobicContact CE3-CB 3.95Å; W208-P225 HydrophobicContact CH2-CB 3.9Å; W208-P225 HydrophobicContact CH2-CG 4.29Å; W208-P225 HydrophobicContact CZ2-CB 3.91Å; W208-P225 HydrophobicContact CZ2-CG 4.3Å; W208-P225 HydrophobicContact CZ3-CB 3.91Å; P225-D227 PolarHBondContact O-N 2.66Å; P225-M228 HydrophobicContact CB-CG 4.24Å; P225-M228 HydrophobicContact CG-CB 3.95Å; P225-M228 HydrophobicContact CG-CG 3.63Å; P225-M228 PolarHBondContact O-N 3.19Å
226	P	84.7	Confident	70.1	Confident	45 Å²	45	98.6 Å²	98.6	29%	0.292	55%	0.546	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-30.5	-168.3	22.6	-33.1	0	0	0	114.6	A204 M205 W208	A204-P226 HydrophobicContact CB-CB 4.24Å; A204-P226 HydrophobicContact CB-CG 3.97Å; M205-P226 HydrophobicContact CB-CG 4.29Å; M205-P226 HydrophobicContact SD-CG 4.36Å; W208-P226 HydrophobicContact CB-CG 4.27Å
227	D	78.5	Confident	67.7	Low	25 Å²	25	105 Å²	105	13%	0.134	58%	0.58	C	S	.	*	T	Hydrogen-bonded Turn	trans	-93.2	-12.7	-175	-79.7	-30.9	0	0	0	114.7	S202 M205 P225 N229 K230	S202-D227 WeakPolarHBondContact CB-OD2 3.49Å; S202-D227 PolarHBondContact N-OD2 3.45Å; S202-D227 VanDerWaalsContact OG-CG 3.24Å; S202-D227 PolarHBondContact OG-OD1 3.39Å; S202-D227 PolarHBondContact OG-OD2 3.46Å; M205-D227 HydrophobicContact CB-CB 4.49Å; M205-D227 WeakPolarHBondContact CB-OD2 3.36Å; M205-D227 HydrophobicContact SD-CB 4.42Å; P225-D227 PolarHBondContact O-N 2.66Å; D227-N229 VanDerWaalsContact C-N 3.25Å; D227-N229 PolarHBondContact O-N 3.2Å; D227-K230 IonicContact OD1-NZ 2.68Å; D227-K230 PolarHBondContact OD1-NZ 2.68Å; D227-K230 VanDerWaalsContact OD1-NZ 3.12Å
228	M	67.1	Low	65.3	Low	113 Å²	113	105.9 Å²	105.9	56%	0.557	59%	0.59	S	S	*	*	G	3₁₀ helix	trans	-74	-16	179.3	-69.4	-71.6	99.7	0	0	113.4	P225 K230	P225-M228 HydrophobicContact CB-CG 4.24Å; P225-M228 HydrophobicContact CG-CB 3.95Å; P225-M228 HydrophobicContact CG-CG 3.63Å; P225-M228 PolarHBondContact O-N 3.19Å; M228-K230 VanDerWaalsContact C-N 3.34Å; M228-K230 PolarHBondContact O-N 3.1Å
229	N	56.4	Low	63.2	Low	131 Å²	131	106.7 Å²	106.7	70%	0.701	61%	0.606	S	S	*	*	G	3₁₀ helix	trans	-82.7	-1.2	-176.3	-115.7	-1	0	0	0	115.2	D227	D227-N229 VanDerWaalsContact C-N 3.25Å; D227-N229 PolarHBondContact O-N 3.2Å
230	K	55	Low	61.3	Low	152 Å²	152	107 Å²	107	66%	0.661	60%	0.597	S	S	*	*	G	3₁₀ helix	trans	-86.8	1.6	-173.5	-75.2	175	-174.9	152.5	0	116.1	D227 M228	D227-K230 IonicContact OD1-NZ 2.68Å; D227-K230 PolarHBondContact OD1-NZ 2.68Å; D227-K230 VanDerWaalsContact OD1-NZ 3.12Å; M228-K230 VanDerWaalsContact C-N 3.34Å; M228-K230 PolarHBondContact O-N 3.1Å
231	K	46.4	Very low	59.5	Low	205 Å²	205	110.6 Å²	110.6	89%	0.891	61%	0.607	S	S	*	*	G	3₁₀ helix	trans	-101.9	21	-176.7	-76	-174.3	178.4	176	0	116.6
232	K	39.7	Very low	57.4	Low	202 Å²	202	111 Å²	111	88%	0.878	61%	0.612	S	S	*	*			trans	-126.5	20.1	176.9	-85	-172.6	180	177.5	0	116.6	T234	K232-T234 PolarHBondContact O-N 2.9Å
233	S	41.1	Very low	55.5	Low	110 Å²	110	116 Å²	116	77%	0.769	63%	0.631	S	S	*	*			trans	-90.6	71.6	174	63.6	0	0	0	0	112.5
234	T	33	Very low	53.4	Low	141 Å²	141	119.5 Å²	119.5	87%	0.865	64%	0.637	S	S	*	*			trans	-120	76.9	160.6	-49.4	0	0	0	0	108.2	K232	K232-T234 PolarHBondContact O-N 2.9Å
235	C	39.1	Very low	51.5	Low	104 Å²	104	123 Å²	123	70%	0.703	65%	0.652	S	S	*	*			trans	-156.2	100.7	149.7	56.1	0	0	0	0	110	N237	C235-N237 PolarHBondContact O-N 3.33Å
236	S	34.9	Very low	49.5	Very low	105 Å²	105	131.8 Å²	131.8	73%	0.734	68%	0.683	S	S	*	*			trans	-44.1	128.4	151.1	45.4	0	0	0	0	110.3
237	N	44.4	Very low	47.5	Very low	142 Å²	142	136.1 Å²	136.1	76%	0.759	70%	0.704	S	S	*	*			trans	150.7	10.5	151	-72.1	-14	0	0	0	115.7	C235 S239	C235-N237 PolarHBondContact O-N 3.33Å; N237-S239 PolarHBondContact O-N 3.47Å
238	L	43.7	Very low	45.8	Very low	133 Å²	133	142.4 Å²	142.4	70%	0.696	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.9	39.8	175.8	-78.9	150.9	0	0	0	113.6	I241	L238-I241 HydrophobicContact CD2-CD1 4.09Å
239	S	48.7	Very low	44.6	Very low	87 Å²	87	146.8 Å²	146.8	61%	0.608	75%	0.754	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.6	-4.8	174.8	48	0	0	0	0	114.2	N237	N237-S239 PolarHBondContact O-N 3.47Å
240	N	48.8	Very low	43.9	Very low	139 Å²	139	145.2 Å²	145.2	74%	0.743	75%	0.753	S	S	*	*	S	Bend	trans	-115.1	0.2	-171.2	-68.3	-19.2	0	0	0	115.6
241	I	50.2	Low	43.8	Very low	112 Å²	112	145.9 Å²	145.9	57%	0.574	76%	0.762	S	S	*	*	S	Bend	trans	-101.6	-21.6	-174.6	-70.2	174.1	0	0	0	113.1	L238 K243	L238-I241 HydrophobicContact CD2-CD1 4.09Å; I241-K243 PolarHBondContact O-N 2.87Å
242	T	46.2	Very low	43.7	Very low	99 Å²	99	147.1 Å²	147.1	61%	0.607	76%	0.763	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87	-1.9	-174	44.7	0	0	0	0	115.4
243	K	47.5	Very low	43.7	Very low	184 Å²	184	143.2 Å²	143.2	80%	0.8	76%	0.761	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.2	-6.5	174.5	-83.2	-178.1	178.4	174.4	0	114.9	I241	I241-K243 PolarHBondContact O-N 2.87Å
244	K	43.8	Very low	43.8	Very low	185 Å²	185	147.4 Å²	147.4	80%	0.804	77%	0.765	S	S	*	*	S	Bend	trans	-101.7	4.5	-175.5	-86.5	-172.2	175.5	-178.4	0	115.7
245	L	45.4	Very low	44.2	Very low	141 Å²	141	145.6 Å²	145.6	74%	0.738	76%	0.757	S	S	*	*	S	Bend	trans	-107.4	4.5	-173	-72.2	165.5	0	0	0	114.6
246	Y	45.1	Very low	44.4	Very low	212 Å²	212	150.6 Å²	150.6	83%	0.831	77%	0.767	S	S	*	*	S	Bend	trans	-95	7.1	179	-79.6	-83.7	0	0	0	115
247	D	43.1	Very low	44.7	Very low	137 Å²	137	153 Å²	153	73%	0.733	77%	0.772	S	S	*	*			trans	-110.3	0.3	-173	-85.8	-32.8	0	0	0	116.4	K249	D247-K249 PolarHBondContact O-N 3.24Å
248	N	43.4	Very low	44.8	Very low	157 Å²	157	153.8 Å²	153.8	84%	0.84	78%	0.776	S	S	*	*			trans	-101.6	83.1	-179.2	-72.5	-6.6	0	0	0	112.3	S250	N248-S250 PolarHBondContact O-N 3.45Å
249	K	40	Very low	45	Very low	204 Å²	204	155 Å²	155	89%	0.887	78%	0.783	S	S	*	*			trans	-47.8	122.5	161	-76.9	168.7	174.3	169.2	0	111.1	D247	D247-K249 PolarHBondContact O-N 3.24Å
250	S	42.8	Very low	45.3	Very low	99 Å²	99	155.6 Å²	155.6	69%	0.692	79%	0.794	S	S	*	*			trans	-136.1	85.9	171.6	157.1	0	0	0	0	107.8	N248 Y252	N248-S250 PolarHBondContact O-N 3.45Å; S250-Y252 VanDerWaalsContact C-N 3.26Å; S250-Y252 PolarHBondContact O-N 3.48Å
251	I	52.4	Low	45.5	Very low	165 Å²	165	156.2 Å²	156.2	85%	0.846	80%	0.797	S	S	*	*	S	Bend		70.4	-2.8	104.5	-58.8	173.1	0	0	0	115.9
252	Y	45.4	Very low	46	Very low	232 Å²	232	157.9 Å²	157.9	91%	0.91	81%	0.807	S	S	*	*			trans	-118.3	63.7	170.9	-107.3	-91.4	0	0	0	111.9	S250	S250-Y252 VanDerWaalsContact C-N 3.26Å; S250-Y252 PolarHBondContact O-N 3.48Å
253	S	39.3	Very low	46.6	Very low	120 Å²	120	160 Å²	160	84%	0.839	82%	0.815	S	S	*	*			trans	-160	85.2	167.7	176.9	0	0	0	0	107.6
254	K	43.1	Very low	47.1	Very low	197 Å²	197	158.6 Å²	158.6	86%	0.857	82%	0.816	S	S	*	*			trans	-159.5	137.4	171.7	-156.7	156.2	-177.5	168.6	0	108.6
255	C	41.4	Very low	48	Very low	103 Å²	103	159.3 Å²	159.3	70%	0.696	82%	0.822	S	S	*	*			trans	67.2	98.5	167.5	68.2	0	0	0	0	118.7
256	F	42.5	Very low	48.9	Very low	210 Å²	210	160.2 Å²	160.2	92%	0.921	83%	0.828	S	S	*	*				-159.2	67.3	121.6	-88.6	-70.8	0	0	0	108
257	D	41.5	Very low	49.9	Very low	155 Å²	155	155.6 Å²	155.6	83%	0.829	83%	0.826	S	S	*	*			trans	-102.5	117.4	148.6	-70.1	-47.1	0	0	0	103.8
258	N	47.3	Very low	50.7	Low	159 Å²	159	160.4 Å²	160.4	85%	0.85	85%	0.852	S	S	*	*			trans	-164.2	111	158.4	-91	-22.5	0	0	0	108
259	D	46.4	Very low	51.1	Low	157 Å²	157	160.6 Å²	160.6	84%	0.84	85%	0.853	S	S	*	*			trans	-38	138	162.1	-50.9	-63	0	0	0	113.6
260	A	55	Low	51.6	Low	100 Å²	100	158.3 Å²	158.3	83%	0.826	85%	0.851	S	S	*	*			trans	-157.5	82.7	152.8	0	0	0	0	0	107.7
261	D	54.1	Low	52.1	Low	152 Å²	152	161.6 Å²	161.6	81%	0.813	86%	0.86	S	S	*	*			trans	-57.7	132.4	146.2	-67.1	-47.6	0	0	0	107.4
262	D	60	Low	52.1	Low	147 Å²	147	161.4 Å²	161.4	79%	0.786	86%	0.86	S	S	*	*			trans	-172	105.6	147.5	-94.3	-17.1	0	0	0	109
263	D	60	Low	52.5	Low	144 Å²	144	156.9 Å²	156.9	77%	0.77	86%	0.857	S	S	*	*			trans	69	122.1	131	-60	-19.8	0	0	0	122.6
264	D	57.8	Low	53.4	Low	155 Å²	155	159.4 Å²	159.4	83%	0.829	86%	0.859	S	S	*	*			trans	-43.1	147.7	161.3	-56.1	-59.4	0	0	0	114.8
265	E	63.2	Low	54.2	Low	200 Å²	200	156.7 Å²	156.7	94%	0.935	86%	0.859	S	S	*	*			trans	-169.8	133.4	130.3	-108	177.1	-170.5	0	0	112.5
266	D	64.3	Low	55.1	Low	159 Å²	159	160.8 Å²	160.8	85%	0.85	87%	0.871	S	S	*	*			trans	-72.3	155.5	-177.5	-66.5	-56.6	0	0	0	115.1
267	S	65.8	Low	56.2	Low	115 Å²	115	156.8 Å²	156.8	80%	0.804	87%	0.867	S	S	*	*			trans	155.2	131.1	142.8	-68.6	0	0	0	0	108.3
268	D	58.9	Low	57.5	Low	238 Å²	238	156.9 Å²	156.9	100%	1.273	87%	0.871	S	S	*	*			cis	-133.6	0	27	-75.2	-43.5	0	0	0	113

Retrieved 268 of 268 residues in 276 ms (Link to these results)

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