A0A087XRF8_POEFO Loading...

SPRY domain-containing SOCS box protein 3

AlphaFold DB , UniProt , Accession A0A087XRF8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 371 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	37.2	Very low	34.8	Very low	252 Å²	252	182.6 Å²	182.6	100%	1.241	86%	0.864	S	S	*	*				0	129.8	0	-71.6	-173.5	-167	0	0	108.9
2	S	35.5	Very low	34.5	Very low	107 Å²	107	186.3 Å²	186.3	75%	0.748	86%	0.863	S	S	*	*			trans	-73.6	137.4	-167.5	-178.2	0	0	0	0	113.3
3	R	38	Very low	34.3	Very low	253 Å²	253	188.4 Å²	188.4	96%	0.955	86%	0.862	S	S	*	*			trans	-136.9	111.9	145.6	-75.9	-164.1	175.4	-177.3	-0.2	110.4
4	R	34.7	Very low	34.3	Very low	218 Å²	218	184.7 Å²	184.7	82%	0.823	86%	0.859	S	S	*	*			trans	-54.9	134.1	177.8	-90.8	170.4	160.7	166.8	-6.1	112.8
5	S	36.9	Very low	34.2	Very low	111 Å²	111	190.5 Å²	190.5	78%	0.776	87%	0.87	S	S	*	*			trans	-62.5	137.7	149.3	168.9	0	0	0	0	109.9
6	R	36.9	Very low	33.7	Very low	233 Å²	233	183.4 Å²	183.4	88%	0.879	87%	0.866	S	S	*	*			trans	-131.2	106.1	166.4	-113.5	-179.5	159.6	169.6	-7.3	111
7	N	29.8	Very low	33.2	Very low	145 Å²	145	177.4 Å²	177.4	78%	0.775	86%	0.864	S	S	*	*			trans	-22.6	124.7	165.2	-87	-25.7	0	0	0	117.2
8	S	39.4	Very low	33.1	Very low	101 Å²	101	176.6 Å²	176.6	71%	0.706	86%	0.863	S	S	*	*			trans	-46.9	123.8	134.2	50.1	0	0	0	0	112.8
9	R	31.6	Very low	32.8	Very low	245 Å²	245	179.9 Å²	179.9	93%	0.925	87%	0.865	S	S	*	*			trans	171.8	122.6	144	-99.3	169.4	-171.5	-163.1	3.3	109
10	A	30.6	Very low	32.9	Very low	84 Å²	84	182.4 Å²	182.4	69%	0.694	87%	0.865	S	S	*	*			trans	143.9	84	135.4	0	0	0	0	0	111.6
11	W	31.8	Very low	32.6	Very low	260 Å²	260	181.6 Å²	181.6	99%	0.985	87%	0.866	S	S	*	*			trans	-151.6	73.1	138.1	-71.7	110	0	0	0	106.7
12	R	32	Very low	32.2	Very low	226 Å²	226	173.5 Å²	173.5	85%	0.853	84%	0.839	S	S	*	*			trans	-111.3	147.3	155.6	-70.6	-167.4	-163.3	-172.6	5	105.7
13	Y	31.3	Very low	31.9	Very low	214 Å²	214	174.4 Å²	174.4	84%	0.839	84%	0.836	S	S	*	*			trans	76.8	102.4	-166.3	-50	-75.6	0	0	0	110.2
14	V	34.9	Very low	31.4	Very low	137 Å²	137	167.5 Å²	167.5	83%	0.83	83%	0.832	S	S	*	*				-143.3	107.4	60.9	176.7	0	0	0	0	110.5
15	W	31.9	Very low	31.1	Very low	271 Å²	271	167 Å²	167	100%	1.027	83%	0.831	S	S	*	*			trans	-125	121.3	157.4	-108.3	47.9	0	0	0	106
16	G	26.3	Very low	30.7	Very low	78 Å²	78	166.3 Å²	166.3	80%	0.804	83%	0.831	S	S	*	*			trans	157.3	109	174.1	0	0	0	0	0	111
17	G	26.3	Very low	30.2	Very low	81 Å²	81	163 Å²	163	84%	0.835	83%	0.831	S	S	*	*			trans	143.6	78.8	168.8	0	0	0	0	0	114.4
18	I	30.6	Very low	30.2	Very low	163 Å²	163	162.2 Å²	162.2	84%	0.836	83%	0.831	S	S	*	*			trans	-67.2	139.4	168.1	-75.2	149.2	0	0	0	110.3
19	R	28.1	Very low	29.6	Very low	239 Å²	239	165.2 Å²	165.2	90%	0.902	84%	0.838	S	S	*	*			trans	-154.2	119.2	130.3	-124.7	174.7	163.8	-165.3	-8.1	111.2
20	R	33.5	Very low	29.3	Very low	230 Å²	230	158 Å²	158	87%	0.868	83%	0.831	S	S	*	*			trans	-65.6	132.5	160.4	-69.2	175.2	-179.5	167.4	-1.5	106.6
21	D	26.9	Very low	29.2	Very low	165 Å²	165	160 Å²	160	88%	0.882	84%	0.839	S	S	*	*			trans	-124	100.8	149.2	-113	-14.1	0	0	0	107.2
22	A	29.5	Very low	28.8	Very low	82 Å²	82	156.6 Å²	156.6	68%	0.678	83%	0.834	S	S	*	*			trans	-112.1	108.3	159	0	0	0	0	0	103.7
23	D	28.1	Very low	28.8	Very low	127 Å²	127	150 Å²	150	68%	0.679	83%	0.828	S	S	*	*			trans	160.3	104	151	-90.1	-11.9	0	0	0	108.8	R25	D23-R25 IonicContact OD2-NH1 3.69Å
24	A	28	Very low	28.5	Very low	107 Å²	107	148 Å²	148	88%	0.884	83%	0.827	S	S	*	*			trans	-122	83.8	153.3	0	0	0	0	0	106.8	A26	A24-A26 PolarHBondContact O-N 3.39Å
25	R	28.9	Very low	28	Very low	208 Å²	208	149.8 Å²	149.8	79%	0.785	83%	0.826	S	S	*	*			trans	-62.4	115.8	167.4	-79	-178.4	162.6	113	-4.4	108.3	D23 L27	D23-R25 IonicContact OD2-NH1 3.69Å; R25-L27 PolarHBondContact O-N 3.42Å
26	A	27.5	Very low	27.7	Very low	96 Å²	96	147.7 Å²	147.7	79%	0.793	82%	0.818	S	S	*	*			trans	-65	115.3	165.9	0	0	0	0	0	109	A24 V28	A24-A26 PolarHBondContact O-N 3.39Å; A26-V28 PolarHBondContact O-N 3.26Å
27	L	27.6	Very low	27.5	Very low	165 Å²	165	154.8 Å²	154.8	86%	0.864	82%	0.821	S	S	*	*			trans	-79.4	111.1	166	-79.9	166.1	0	0	0	108.1	R25 L29	R25-L27 PolarHBondContact O-N 3.42Å; L27-L29 PolarHBondContact O-N 3.27Å
28	V	28.6	Very low	27.5	Very low	128 Å²	128	162 Å²	162	78%	0.776	82%	0.824	S	S	*	*			trans	-65.8	117.3	166.2	173.8	0	0	0	0	107.9	A26	A26-V28 PolarHBondContact O-N 3.26Å
29	L	26.8	Very low	27.3	Very low	164 Å²	164	161.3 Å²	161.3	86%	0.859	82%	0.822	S	S	*	*			trans	-112.2	109.2	155.5	-73.9	176.5	0	0	0	107.4	L27 S31	L27-L29 PolarHBondContact O-N 3.27Å; L29-S31 PolarHBondContact O-N 3.44Å
30	A	26.3	Very low	27.3	Very low	93 Å²	93	159.6 Å²	159.6	77%	0.769	82%	0.816	S	S	*	*			trans	-60.7	128.3	160.8	0	0	0	0	0	107.7
31	S	28.4	Very low	27.1	Very low	125 Å²	125	155.8 Å²	155.8	87%	0.874	81%	0.812	S	S	*	*			trans	-129.4	130.3	157.4	-145	0	0	0	0	107.9	L29	L29-S31 PolarHBondContact O-N 3.44Å
32	E	24.4	Very low	27.2	Very low	189 Å²	189	154.7 Å²	154.7	88%	0.883	80%	0.801	S	S	*	*			trans	-67.1	159.1	-166.9	-67.8	169.5	131.1	0	0	113.2
33	A	30.4	Very low	27.1	Very low	88 Å²	88	161 Å²	161	73%	0.727	81%	0.809	S	S	*	*			trans	-37.6	131.3	172	0	0	0	0	0	114.9
34	E	25.4	Very low	27.2	Very low	172 Å²	172	160.4 Å²	160.4	80%	0.804	82%	0.815	S	S	*	*			trans	-122.9	122.9	141.3	-79.5	-151.2	155.1	0	0	110.7
35	Q	25.4	Very low	27.3	Very low	175 Å²	175	163 Å²	163	82%	0.818	81%	0.814	S	S	*	*			trans	-94.3	101.5	-164.3	-176.7	156.5	4.4	0	0	108.9	R37	Q35-R37 PolarHBondContact O-N 3.06Å
36	W	25	Very low	27.5	Very low	226 Å²	226	158.3 Å²	158.3	86%	0.856	81%	0.813	S	S	*	*			trans	-83.8	100.6	170	-72.1	93	0	0	0	109.5	Y38	W36-Y38 PolarHBondContact O-N 3.5Å
37	R	22.4	Very low	27.9	Very low	228 Å²	228	161.4 Å²	161.4	86%	0.86	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-54.2	120.7	165.2	-75.5	177.3	169	156.6	-2.6	109.1	Q35	Q35-R37 PolarHBondContact O-N 3.06Å
38	Y	25.8	Very low	28.3	Very low	231 Å²	231	159 Å²	159	91%	0.906	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-97	119.9	164	-127.9	-93.2	0	0	0	107.9	W36	W36-Y38 PolarHBondContact O-N 3.5Å
39	D	27.1	Very low	28.9	Very low	150 Å²	150	162.4 Å²	162.4	80%	0.802	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-64.3	137	175.8	-94.1	-37.9	0	0	0	111	L41	D39-L41 PolarHBondContact O-N 3.05Å
40	R	27.4	Very low	29.3	Very low	202 Å²	202	159.5 Å²	159.5	76%	0.762	82%	0.82	S	S	*	*			trans	-69.4	112.2	177.7	177.1	179.9	174.3	166.1	-2.6	109.1	E42	R40-E42 HydrophobicContact CG-CG 4.16Å; R40-E42 IonicContact CZ-OE1 3.6Å; R40-E42 VanDerWaalsContact CZ-OE1 3.3Å; R40-E42 IonicContact NE-OE1 2.77Å; R40-E42 PolarHBondContact NE-OE1 3.48Å; R40-E42 VanDerWaalsContact NE-OE1 3.07Å; R40-E42 IonicContact NH2-OE1 3.63Å; R40-E42 PolarHBondContact NH2-OE1 3.17Å
41	L	28.6	Very low	29.4	Very low	150 Å²	150	161.6 Å²	161.6	79%	0.785	82%	0.818	S	S	*	*			trans	-104.9	104	163.7	-106.9	137.8	0	0	0	108.1	D39	D39-L41 PolarHBondContact O-N 3.05Å
42	E	28.7	Very low	29.8	Very low	142 Å²	142	164.6 Å²	164.6	66%	0.664	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-67.1	122.7	170.9	-63	-175.8	154.2	0	0	108.8	R40	R40-E42 HydrophobicContact CG-CG 4.16Å; R40-E42 IonicContact CZ-OE1 3.6Å; R40-E42 VanDerWaalsContact CZ-OE1 3.3Å; R40-E42 IonicContact NE-OE1 2.77Å; R40-E42 PolarHBondContact NE-OE1 3.48Å; R40-E42 VanDerWaalsContact NE-OE1 3.07Å; R40-E42 IonicContact NH2-OE1 3.63Å; R40-E42 PolarHBondContact NH2-OE1 3.17Å
43	Y	29.1	Very low	30.1	Very low	216 Å²	216	160.7 Å²	160.7	85%	0.847	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-100.4	119.6	165	-97.6	-90.5	0	0	0	108.2
44	S	28.6	Very low	30.5	Very low	113 Å²	113	161.6 Å²	161.6	79%	0.79	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-79.1	126.1	173.6	-172.3	0	0	0	0	109.1
45	D	30.9	Very low	30.8	Very low	161 Å²	161	159.1 Å²	159.1	86%	0.861	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-66.6	131.5	168.8	-78.6	-37.2	0	0	0	110.2
46	S	33.8	Very low	31.3	Very low	111 Å²	111	159.4 Å²	159.4	78%	0.776	81%	0.813	S	S	*	*			trans	-148.8	103.4	164.8	-160.6	0	0	0	0	109
47	D	36.2	Very low	31.8	Very low	160 Å²	160	154.4 Å²	154.4	86%	0.856	81%	0.807	S	S	*	*			trans	-68.2	131	173.1	-78.2	-35.6	0	0	0	111
48	S	35.9	Very low	32.3	Very low	114 Å²	114	148.2 Å²	148.2	80%	0.797	80%	0.796	S	S	*	*			trans	-154.6	107.9	159.7	-68.7	0	0	0	0	109.2
49	E	40.7	Very low	32.8	Very low	201 Å²	201	143.1 Å²	143.1	94%	0.939	79%	0.791	S	S	*	*			trans	-60.9	130	168.8	-67.2	-85.6	120.4	0	0	110.3
50	A	34.3	Very low	33.4	Very low	102 Å²	102	141.9 Å²	141.9	84%	0.843	79%	0.789	S	S	*	*			trans	-143.1	127	163.8	0	0	0	0	0	110.7
51	D	29.1	Very low	33.8	Very low	137 Å²	137	137.7 Å²	137.7	73%	0.733	79%	0.788	S	S	*	*			trans	-63.6	149.4	-173.6	-112.9	-25.9	0	0	0	114.6
52	Y	36.6	Very low	34.6	Very low	189 Å²	189	135.8 Å²	135.8	74%	0.741	79%	0.787	S	S	*	*			trans	-14.2	128.1	174.9	52.3	-89	0	0	0	119.7
53	S	29.8	Very low	35.8	Very low	106 Å²	106	131.2 Å²	131.2	74%	0.741	77%	0.774	S	S	*	*			trans	-145.7	132.9	138.4	-82.2	0	0	0	0	108.2	V55	S53-V55 VanDerWaalsContact C-N 3.26Å; S53-V55 PolarHBondContact O-N 3.14Å
54	A	39.5	Very low	37.1	Very low	107 Å²	107	127.1 Å²	127.1	88%	0.884	77%	0.771	S	S	*	*			trans	-64.5	84.6	-179.3	0	0	0	0	0	110.3	M56	A54-M56 PolarHBondContact O-N 2.99Å
55	V	32.3	Very low	38.7	Very low	120 Å²	120	124.7 Å²	124.7	73%	0.727	75%	0.752	S	S	*	*			trans	-72.9	106.5	167.6	-179.3	0	0	0	0	105.9	S53 V57	S53-V55 VanDerWaalsContact C-N 3.26Å; S53-V55 PolarHBondContact O-N 3.14Å; V55-V57 VanDerWaalsContact C-N 3.31Å; V55-V57 PolarHBondContact O-N 3.3Å
56	M	36.3	Very low	40.2	Very low	182 Å²	182	118.8 Å²	118.8	90%	0.897	72%	0.722	S	S	*	*			trans	-57.1	101.8	163.6	-75.4	-160.9	-174.6	0	0	107.4	A54 P58	A54-M56 PolarHBondContact O-N 2.99Å; M56-P58 WeakPolarHBondContact O-CD 3.37Å
57	V	35.4	Very low	41.6	Very low	120 Å²	120	120.4 Å²	120.4	73%	0.727	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-60.6	120	168.8	-178.3	0	0	0	0	106	V55	V55-V57 VanDerWaalsContact C-N 3.31Å; V55-V57 PolarHBondContact O-N 3.3Å
58	P	32.8	Very low	42.9	Very low	99 Å²	99	113.7 Å²	113.7	64%	0.643	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-58.7	140.7	177.4	23.1	-30.7	0	0	0	108.4	M56 V60	M56-P58 WeakPolarHBondContact O-CD 3.37Å; P58-V60 PolarHBondContact O-N 3Å
59	P	36.8	Very low	45.1	Very low	123 Å²	123	114.2 Å²	114.2	80%	0.799	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-56	121.5	176.3	22.6	-30.6	0	0	0	107.9
60	V	39	Very low	47.4	Very low	124 Å²	124	106.9 Å²	106.9	75%	0.752	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-48.1	127.2	171.8	178.7	0	0	0	0	106.7	P58 S62	P58-V60 PolarHBondContact O-N 3Å; V60-S62 PolarHBondContact O-N 2.94Å
61	P	35.2	Very low	50	Low	115 Å²	115	105.7 Å²	105.7	75%	0.747	63%	0.631	S	S	*	*	P	Polyproline II helix	trans	-53.9	121.6	-178	19.2	-29.9	0	0	0	108.2	A63	P61-A63 PolarHBondContact O-N 2.84Å
62	S	45.9	Very low	52.9	Low	110 Å²	110	100.4 Å²	100.4	77%	0.769	61%	0.605	S	S	*	*			trans	-48.7	109.7	174.9	177.4	0	0	0	0	107.4	V60 V64	V60-S62 PolarHBondContact O-N 2.94Å; S62-V64 PolarHBondContact O-N 2.94Å
63	A	53.1	Low	55.1	Low	46 Å²	46	94.2 Å²	94.2	38%	0.38	59%	0.593	S	S	.	*	P	Polyproline II helix	trans	-52.2	130.1	177.7	0	0	0	0	0	108	P61 P65 Y161	P61-A63 PolarHBondContact O-N 2.84Å; A63-P65 VanDerWaalsContact O-CD 3.25Å; A63-P65 WeakPolarHBondContact O-CD 3.45Å; A63-P65 VanDerWaalsContact O-N 3.1Å; A63-Y161 HydrophobicContact CB-CD2 3.69Å; A63-Y161 HydrophobicContact CB-CE2 4.39Å; A63-Y161 HydrophobicContact CB-CG 4.2Å
64	V	56.6	Low	57.7	Low	129 Å²	129	91.7 Å²	91.7	78%	0.782	58%	0.575	S	S	*	*	P	Polyproline II helix	trans	-59.1	118.5	178.7	179.5	0	0	0	0	107.1	S62 V66	S62-V64 PolarHBondContact O-N 2.94Å; V64-V66 PolarHBondContact O-N 3.44Å
65	P	61.8	Low	58.9	Low	62 Å²	62	89.1 Å²	89.1	40%	0.403	55%	0.546	S	S	.	.	P	Polyproline II helix	trans	-55.1	138	177.5	-25.1	34.2	0	0	0	110.1	A63 T67 P159	A63-P65 VanDerWaalsContact O-CD 3.25Å; A63-P65 WeakPolarHBondContact O-CD 3.45Å; A63-P65 VanDerWaalsContact O-N 3.1Å; P65-T67 PolarHBondContact O-N 2.81Å; P65-P159 HydrophobicContact CB-CB 3.97Å; P65-P159 HydrophobicContact CG-CB 4.01Å; P65-P159 HydrophobicContact CG-CG 4.45Å
66	V	62.5	Low	60	Low	38 Å²	38	86.5 Å²	86.5	23%	0.23	53%	0.533	C	S	.	.	P	Polyproline II helix	trans	-70	126.9	173.9	178.1	0	0	0	0	109.2	V64 G68 V160 Y198 R214	V64-V66 PolarHBondContact O-N 3.44Å; V66-G68 VanDerWaalsContact C-N 3.31Å; V66-G68 PolarHBondContact O-N 2.94Å; V66-V160 PolarHBondContact N-O 2.88Å; V66-Y198 HydrophobicContact CB-CE2 4.4Å; V66-Y198 HydrophobicContact CG2-CE2 3.78Å; V66-R214 HydrophobicContact CG1-CB 4.34Å
67	T	63.1	Low	60.7	Low	144 Å²	144	84.7 Å²	84.7	88%	0.883	52%	0.522	S	S	*	.			trans	-74	85	168.7	44.8	0	0	0	0	109.1	P65	P65-T67 PolarHBondContact O-N 2.81Å
68	G	64.7	Low	61.3	Low	20 Å²	20	81.6 Å²	81.6	21%	0.206	51%	0.509	C	S	.	.			trans	-88.3	159.9	165.5	0	0	0	0	0	111	V66 S70	V66-G68 VanDerWaalsContact C-N 3.31Å; V66-G68 PolarHBondContact O-N 2.94Å; G68-S70 PolarHBondContact O-N 2.93Å; G68-S70 VanDerWaalsContact O-N 3.12Å
69	E	82.6	Confident	62	Low	125 Å²	125	82.7 Å²	82.7	58%	0.584	51%	0.506	S	S	*	.			trans	-66.2	110.4	173.2	-65.3	167.5	152.6	0	0	110.2	S219 K236 N237	E69-S219 PolarHBondContact O-OG 2.95Å; E69-K236 WeakPolarHBondContact OE2-CE 3.41Å; E69-K236 IonicContact OE2-NZ 3.3Å; E69-K236 PolarHBondContact OE2-NZ 3.31Å; E69-N237 PolarHBondContact O-ND2 2.9Å
70	S	88	Confident	62.3	Low	46 Å²	46	82.8 Å²	82.8	32%	0.322	50%	0.504	S	S	.	.			trans	-71.1	154.9	171.8	62.2	0	0	0	0	110.6	G68 C72 Q217	G68-S70 PolarHBondContact O-N 2.93Å; G68-S70 VanDerWaalsContact O-N 3.12Å; S70-C72 WeakPolarHBondContact CB-O 3.19Å; S70-C72 PolarHBondContact O-N 3.49Å; S70-C72 PolarHBondContact OG-O 3.21Å; S70-Q217 WeakPolarHBondContact CB-O 3.37Å
71	Y	90.1	Very high	62.8	Low	77 Å²	77	81 Å²	81	30%	0.302	50%	0.497	S	S	.	.	S	Bend	trans	-65.7	-29.4	174	175.4	-105.2	0	0	0	112.6	C97 G218 I220 N237 R238	Y71-C97 HydrophobicContact CD1-CB 4.3Å; Y71-C97 HydrophobicContact CE1-CB 4.39Å; Y71-G218 VanDerWaalsContact CB-O 3.3Å; Y71-G218 WeakPolarHBondContact CB-O 3.3Å; Y71-G218 PolarHBondContact N-O 3.25Å; Y71-I220 HydrophobicContact CD1-CD1 3.6Å; Y71-I220 HydrophobicContact CD2-CD1 3.74Å; Y71-I220 HydrophobicContact CD2-CG1 4.48Å; Y71-I220 HydrophobicContact CE1-CD1 4.1Å; Y71-I220 HydrophobicContact CE2-CD1 4.21Å; Y71-I220 HydrophobicContact CG-CD1 3.4Å; Y71-I220 VanDerWaalsContact CG-CD1 3.4Å; Y71-I220 HydrophobicContact CG-CG1 4.1Å; Y71-N237 HydrophobicContact CD2-CB 4.12Å; Y71-R238 HydrophobicContact CE2-CG 4.27Å; Y71-R238 PolarHBondContact OH-NH1 3.05Å; Y71-R238 VanDerWaalsContact OH-NH1 3.13Å
72	C	88.7	Confident	63.1	Low	26 Å²	26	83.2 Å²	83.2	18%	0.176	49%	0.491	C	S	.	.	S	Bend	trans	-141.7	157.6	-176.6	60.2	0	0	0	0	111.3	S70 C74 C95 C97	S70-C72 WeakPolarHBondContact CB-O 3.19Å; S70-C72 PolarHBondContact O-N 3.49Å; S70-C72 PolarHBondContact OG-O 3.21Å; C72-C74 VanDerWaalsContact C-N 3.32Å; C72-C74 PolarHBondContact O-N 2.92Å; C72-C95 PolarHBondContact SG-SG 3.49Å; C72-C97 HydrophobicContact CB-CB 3.8Å
73	A	84.1	Confident	63.1	Low	60 Å²	60	83.9 Å²	83.9	50%	0.496	49%	0.487	S	S	.	.	S	Bend	trans	-87.9	14.5	-177.9	0	0	0	0	0	114.6	D75 S76	A73-D75 PolarHBondContact O-N 3.11Å; A73-S76 PolarHBondContact O-N 2.88Å; A73-S76 PolarHBondContact O-OG 2.71Å
74	C	82.6	Confident	62.6	Low	53 Å²	53	87.4 Å²	87.4	36%	0.358	51%	0.506	S	S	.	.	H	α-helix	trans	-58.1	-33.4	-176.1	-65.6	0	0	0	0	113.9	C72 C95 C97	C72-C74 VanDerWaalsContact C-N 3.32Å; C72-C74 PolarHBondContact O-N 2.92Å; C74-C95 HydrophobicContact CB-CB 4.1Å; C74-C95 VanDerWaalsContact SG-SG 3.6Å; C74-C97 PolarHBondContact SG-SG 3.26Å
75	D	64.6	Low	61.9	Low	53 Å²	53	92.3 Å²	92.3	28%	0.283	51%	0.51	S	S	.	.	H	α-helix	trans	-66	-37	176.7	-84	-13	0	0	0	112	A73 Q77 A78 V92 Q217	A73-D75 PolarHBondContact O-N 3.11Å; D75-Q77 VanDerWaalsContact C-N 3.34Å; D75-Q77 PolarHBondContact O-N 3.24Å; D75-A78 PolarHBondContact O-N 2.88Å; D75-V92 WeakPolarHBondContact OD1-CG1 3.45Å; D75-Q217 PolarHBondContact OD2-NE2 3.42Å
76	S	56.9	Low	61.2	Low	65 Å²	65	95.9 Å²	95.9	46%	0.455	53%	0.525	S	S	.	.	H	α-helix	trans	-70.8	-25.6	-178.8	68.5	0	0	0	0	114.1	A73 A78 E79	A73-S76 PolarHBondContact O-N 2.88Å; A73-S76 PolarHBondContact O-OG 2.71Å; S76-A78 VanDerWaalsContact C-N 3.34Å; S76-E79 PolarHBondContact O-N 3.35Å
77	Q	50.4	Low	60.2	Low	144 Å²	144	106.9 Å²	106.9	67%	0.673	56%	0.562	S	S	*	*	H	α-helix	trans	-74.4	-25.2	177.5	-70.2	-171.7	3.2	0	0	112.7	D75 E79 T80	D75-Q77 VanDerWaalsContact C-N 3.34Å; D75-Q77 PolarHBondContact O-N 3.24Å; Q77-E79 VanDerWaalsContact C-N 3.35Å; Q77-T80 PolarHBondContact O-OG1 3.4Å
78	A	48.6	Very low	59	Low	54 Å²	54	102 Å²	102	45%	0.446	54%	0.541	S	S	.	.	H	α-helix	trans	-68.7	-35.9	174.1	0	0	0	0	0	111.5	D75 S76 S81	D75-A78 PolarHBondContact O-N 2.88Å; S76-A78 VanDerWaalsContact C-N 3.34Å; A78-S81 PolarHBondContact O-OG 3.5Å
79	E	46.5	Very low	57.8	Low	123 Å²	123	111.4 Å²	111.4	58%	0.575	58%	0.577	S	S	*	*	H	α-helix	trans	-70	-30.2	177.7	-67.2	-164.7	165.8	0	0	113.1	S76 Q77 S81 Y82	S76-E79 PolarHBondContact O-N 3.35Å; Q77-E79 VanDerWaalsContact C-N 3.35Å; E79-S81 PolarHBondContact O-N 3.37Å; E79-Y82 HydrophobicContact CB-CE2 3.9Å; E79-Y82 HydrophobicContact CG-CE2 4.37Å; E79-Y82 WeakPolarHBondContact O-CD2 3.38Å; E79-Y82 WeakPolarHBondContact O-CE2 3.46Å
80	T	43.8	Very low	55.8	Low	124 Å²	124	111.8 Å²	111.8	76%	0.761	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.6	-1.6	179.2	32.9	0	0	0	0	115.9	Q77	Q77-T80 PolarHBondContact O-OG1 3.4Å
81	S	48.4	Very low	53.8	Low	86 Å²	86	118.5 Å²	118.5	60%	0.601	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.2	24.7	-180	69.8	0	0	0	0	114.6	A78 E79 N83	A78-S81 PolarHBondContact O-OG 3.5Å; E79-S81 PolarHBondContact O-N 3.37Å; S81-N83 PolarHBondContact O-N 2.88Å; S81-N83 VanDerWaalsContact O-N 3.09Å
82	Y	42.8	Very low	52.1	Low	162 Å²	162	118.3 Å²	118.3	64%	0.635	61%	0.611	S	S	*	*			trans	-60.7	114	-178	-83.3	-66	0	0	0	113.1	E79	E79-Y82 HydrophobicContact CB-CE2 3.9Å; E79-Y82 HydrophobicContact CG-CE2 4.37Å; E79-Y82 WeakPolarHBondContact O-CD2 3.38Å; E79-Y82 WeakPolarHBondContact O-CE2 3.46Å
83	N	44.3	Very low	50.9	Low	125 Å²	125	126.1 Å²	126.1	67%	0.668	64%	0.642	S	S	*	*			trans	-101.8	116.1	154.2	-143.7	-28.4	0	0	0	106.4	S81 R85	S81-N83 PolarHBondContact O-N 2.88Å; S81-N83 VanDerWaalsContact O-N 3.09Å; N83-R85 PolarHBondContact O-N 3.34Å
84	P	44.3	Very low	50.4	Low	120 Å²	120	128.2 Å²	128.2	78%	0.779	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72	13	-163.9	27.1	-34.3	0	0	0	115.2
85	R	42	Very low	50.6	Low	231 Å²	231	127.1 Å²	127.1	87%	0.872	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.8	2.5	-173.4	-67.8	-166.6	174.3	-171.9	-0.2	115.6	N83	N83-R85 PolarHBondContact O-N 3.34Å
86	L	45.3	Very low	51.9	Low	138 Å²	138	130.3 Å²	130.3	72%	0.723	65%	0.65	S	S	*	*			trans	-123.5	86.8	176.3	-70.1	165.6	0	0	0	110.1	G88	L86-G88 PolarHBondContact O-N 2.82Å
87	R	42.3	Very low	53.5	Low	268 Å²	268	129.5 Å²	129.5	100%	1.011	64%	0.644	S	S	*	*			trans	-75.5	63.5	159.8	-75.8	-158.5	-170.7	-143.7	6.4	109.2
88	G	37.9	Very low	55.4	Low	42 Å²	42	122.8 Å²	122.8	43%	0.433	61%	0.614	S	S	.	*			trans	-108.7	137.5	171	0	0	0	0	0	108.8	L86 H90	L86-G88 PolarHBondContact O-N 2.82Å; G88-H90 PolarHBondContact O-CD2 3.27Å; G88-H90 PolarHBondContact O-N 3.12Å
89	F	39.9	Very low	57.5	Low	218 Å²	218	121.9 Å²	121.9	96%	0.956	60%	0.6	S	S	*	*			trans	-42.6	102	174.1	-75.1	-99	0	0	0	111.3	Q91	F89-Q91 PolarHBondContact O-N 3.42Å
90	H	40.8	Very low	59.5	Low	133 Å²	133	121 Å²	121	62%	0.616	60%	0.599	S	S	*	*			trans	-69.9	104.4	173	-82.5	-89.2	0	0	0	107.5	G88 V92	G88-H90 PolarHBondContact O-CD2 3.27Å; G88-H90 PolarHBondContact O-N 3.12Å; H90-V92 VanDerWaalsContact C-N 3.26Å; H90-V92 PolarHBondContact O-N 2.99Å
91	Q	45.4	Very low	61.5	Low	187 Å²	187	117 Å²	117	87%	0.874	57%	0.573	S	S	*	*			trans	-62.8	92.9	166.9	-170.7	172.4	22.8	0	0	106.9	F89 K93	F89-Q91 PolarHBondContact O-N 3.42Å; Q91-K93 PolarHBondContact O-N 2.92Å
92	V	54.3	Low	63.2	Low	72 Å²	72	120.3 Å²	120.3	44%	0.436	58%	0.579	S	S	.	*			trans	-54.1	115	171.6	177.7	0	0	0	0	106.2	D75 H90 D94	D75-V92 WeakPolarHBondContact OD1-CG1 3.45Å; H90-V92 VanDerWaalsContact C-N 3.26Å; H90-V92 PolarHBondContact O-N 2.99Å; V92-D94 PolarHBondContact O-N 3.29Å
93	K	62.8	Low	65.5	Low	191 Å²	191	119.5 Å²	119.5	83%	0.83	59%	0.586	S	S	*	*			trans	-57.4	132.3	174.6	-90	-178.4	172.9	178.8	0	107.9	Q91 C95	Q91-K93 PolarHBondContact O-N 2.92Å; K93-C95 PolarHBondContact O-N 3.42Å
94	D	74.9	Confident	67.9	Low	104 Å²	104	115.5 Å²	115.5	56%	0.556	56%	0.563	S	S	*	*			trans	-55	111.1	174	-78.3	-32.5	0	0	0	109	V92 H96 K125	V92-D94 PolarHBondContact O-N 3.29Å; D94-H96 PolarHBondContact O-CD2 2.82Å; D94-K125 IonicContact OD1-NZ 3.58Å
95	C	87.2	Confident	70.4	Confident	29 Å²	29	113 Å²	113	20%	0.196	54%	0.543	C	S	.	.			trans	-75.1	125.4	176.7	170.4	0	0	0	0	109.6	C72 C74 K93 C97 K155	C72-C95 PolarHBondContact SG-SG 3.49Å; C74-C95 HydrophobicContact CB-CB 4.1Å; C74-C95 VanDerWaalsContact SG-SG 3.6Å; K93-C95 PolarHBondContact O-N 3.42Å; C95-C97 VanDerWaalsContact SG-CB 3.58Å; C95-C97 PolarHBondContact SG-N 3.03Å; C95-C97 VanDerWaalsContact SG-N 3.4Å; C95-K155 PolarHBondContact O-NZ 2.73Å
96	H	90.8	Very high	73.1	Confident	120 Å²	120	102.5 Å²	102.5	56%	0.556	50%	0.503	S	S	*	.			trans	-96.6	7.3	178.1	-63.5	-64.4	0	0	0	114.4	D94 G98 E99	D94-H96 PolarHBondContact O-CD2 2.82Å; H96-G98 PolarHBondContact O-N 3.24Å; H96-E99 IonicContact CE1-OE2 3.98Å; H96-E99 IonicContact CG-OE2 3.96Å; H96-E99 IonicContact ND1-OE2 3.01Å; H96-E99 PolarHBondContact ND1-OE2 3.28Å; H96-E99 WeakPolarHBondContact O-CB 3.38Å; H96-E99 WeakPolarHBondContact O-CG 3.46Å; H96-E99 PolarHBondContact O-N 3.35Å
97	C	91.3	Very high	75.7	Confident	48 Å²	48	97.7 Å²	97.7	32%	0.324	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	133.1	177.8	-63.3	0	0	0	0	111.4	Y71 C72 C74 C95 E99 K155	Y71-C97 HydrophobicContact CD1-CB 4.3Å; Y71-C97 HydrophobicContact CE1-CB 4.39Å; C72-C97 HydrophobicContact CB-CB 3.8Å; C74-C97 PolarHBondContact SG-SG 3.26Å; C95-C97 VanDerWaalsContact SG-CB 3.58Å; C95-C97 PolarHBondContact SG-N 3.03Å; C95-C97 VanDerWaalsContact SG-N 3.4Å; C97-E99 PolarHBondContact O-N 3.29Å; C97-K155 PolarHBondContact O-NZ 3.14Å
98	G	89.4	Confident	78.3	Confident	4 Å²	4	85 Å²	85	4%	0.041	43%	0.431	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.3	-3.6	-178.1	0	0	0	0	0	114.5	H96 D100 R238	H96-G98 PolarHBondContact O-N 3.24Å; G98-D100 PolarHBondContact O-N 3.28Å; G98-R238 PolarHBondContact O-NH2 2.84Å; G98-R238 VanDerWaalsContact O-NH2 3.1Å
99	E	93.1	Very high	81.2	Confident	35 Å²	35	84.4 Å²	84.4	16%	0.164	42%	0.419	C	S	.	.			trans	-89	56.4	176.7	-51.2	-169	170.4	0	0	110.9	H96 C97 K155 K267 I269	H96-E99 IonicContact CE1-OE2 3.98Å; H96-E99 IonicContact CG-OE2 3.96Å; H96-E99 IonicContact ND1-OE2 3.01Å; H96-E99 PolarHBondContact ND1-OE2 3.28Å; H96-E99 WeakPolarHBondContact O-CB 3.38Å; H96-E99 WeakPolarHBondContact O-CG 3.46Å; H96-E99 PolarHBondContact O-N 3.35Å; C97-E99 PolarHBondContact O-N 3.29Å; E99-K155 HydrophobicContact CG-CD 4.43Å; E99-K267 IonicContact OE1-NZ 3.99Å; E99-K267 IonicContact OE2-NZ 3.14Å; E99-K267 PolarHBondContact OE2-NZ 2.88Å; E99-I269 HydrophobicContact CG-CB 4.25Å; E99-I269 HydrophobicContact CG-CG2 3.73Å
100	D	87.6	Confident	83.9	Confident	103 Å²	103	76.5 Å²	76.5	55%	0.551	39%	0.394	S	S	*	.			trans	-82.8	-21.9	-171.1	-48	-55.4	0	0	0	112.4	G98 R238	G98-D100 PolarHBondContact O-N 3.28Å; D100-R238 IonicContact OD2-CZ 2.67Å; D100-R238 IonicContact OD2-NH1 3.54Å; D100-R238 IonicContact OD2-NH2 3.07Å; D100-R238 PolarHBondContact OD2-NH2 2.84Å
101	D	86.4	Confident	86.6	Confident	41 Å²	41	75 Å²	75	22%	0.219	40%	0.398	C	S	.	.			trans	-92	139.6	-171.3	-66.1	28	0	0	0	112.1	F104 R270	D101-F104 WeakPolarHBondContact O-CE2 3.37Å; D101-F104 WeakPolarHBondContact O-CZ 3.43Å; D101-R270 IonicContact OD1-CZ 3.92Å; D101-R270 IonicContact OD1-NE 3.9Å; D101-R270 PolarHBondContact OD1-NE 2.91Å; D101-R270 IonicContact OD1-NH2 2.78Å; D101-R270 PolarHBondContact OD1-NH2 2.77Å; D101-R270 VanDerWaalsContact OD2-CG 3.3Å; D101-R270 WeakPolarHBondContact OD2-CG 3.39Å; D101-R270 IonicContact OD2-CZ 2.96Å; D101-R270 IonicContact OD2-NE 3.74Å; D101-R270 PolarHBondContact OD2-NE 3.46Å; D101-R270 IonicContact OD2-NH2 2.75Å
102	Q	84.7	Confident	89	Confident	155 Å²	155	67.3 Å²	67.3	72%	0.724	37%	0.365	S	S	*	.			trans	-111.4	-25	179.8	-60.9	-72.8	36.6	0	0	113.1	F104	Q102-F104 WeakPolarHBondContact O-CD2 3.36Å
103	D	90.4	Very high	91.1	Very high	145 Å²	145	67.8 Å²	67.8	78%	0.775	36%	0.359	S	S	*	.			trans	-101.9	135.2	179.8	-63.3	-49.3	0	0	0	110.3
104	F	96.1	Very high	92.7	Very high	41 Å²	41	58.8 Å²	58.8	18%	0.18	32%	0.32	C	S	.	.	B	Isolated β-bridge	trans	-134.4	121.9	-174.4	-66.2	-99.8	0	0	0	109.8	D101 Q102 W106 V107 R124 V268 I269	D101-F104 WeakPolarHBondContact O-CE2 3.37Å; D101-F104 WeakPolarHBondContact O-CZ 3.43Å; Q102-F104 WeakPolarHBondContact O-CD2 3.36Å; F104-W106 PolarHBondContact O-N 3.39Å; F104-V107 HydrophobicContact CB-CG1 4.18Å; F104-R124 VanDerWaalsContact CZ-NH1 3.34Å; F104-V268 HydrophobicContact CD1-CG1 3.92Å; F104-V268 HydrophobicContact CE1-CG1 4.03Å; F104-I269 VanDerWaalsContact CE1-C 3.42Å
105	D	96.8	Very high	93.5	Very high	68 Å²	68	59.4 Å²	59.4	36%	0.364	33%	0.327	S	S	.	.	S	Bend	trans	-62.7	-30.7	174.9	-75.5	-5.6	0	0	0	112.2	R143 S271 C272 S273	D105-R143 WeakPolarHBondContact O-CD 3.49Å; D105-R143 PolarHBondContact O-NE 3.11Å; D105-R143 VanDerWaalsContact O-NE 3.13Å; D105-S271 PolarHBondContact N-O 3.02Å; D105-S271 PolarHBondContact N-OG 2.75Å; D105-C272 VanDerWaalsContact OD2-C 3.27Å; D105-C272 WeakPolarHBondContact OD2-CA 3.47Å; D105-S273 WeakPolarHBondContact OD2-CA 3.28Å; D105-S273 WeakPolarHBondContact OD2-CB 3.48Å; D105-S273 PolarHBondContact OD2-N 3.27Å; D105-S273 PolarHBondContact OD2-OG 3.01Å
106	W	98.2	Very high	93.9	Very high	11 Å²	11	59.5 Å²	59.5	4%	0.042	33%	0.33	C	S	.	.			trans	-149.1	161.1	173.9	64	-97.1	0	0	0	111.5	F104 W108 R143 W152 I154 P255 V268 S271	F104-W106 PolarHBondContact O-N 3.39Å; W106-W108 HydrophobicContact CH2-CH2 4.14Å; W106-W108 HydrophobicContact CH2-CZ3 4.05Å; W106-W108 HydrophobicContact CZ3-CD2 4.35Å; W106-W108 AromaticContact CZ3-CE3 3.84Å; W106-W108 HydrophobicContact CZ3-CE3 3.84Å; W106-W108 HydrophobicContact CZ3-CH2 4.2Å; W106-W108 AromaticContact CZ3-CZ3 3.75Å; W106-W108 HydrophobicContact CZ3-CZ3 3.75Å; W106-R143 HydrophobicContact CB-CB 3.91Å; W106-R143 HydrophobicContact CB-CG 3.97Å; W106-W152 HydrophobicContact CH2-CG 4.27Å; W106-W152 HydrophobicContact CZ2-CB 3.62Å; W106-W152 AromaticContact CZ2-CD1 3.68Å; W106-W152 AromaticContact CZ2-CD2 3.97Å; W106-W152 HydrophobicContact CZ2-CD2 3.97Å; W106-W152 AromaticContact CZ2-CG 3.49Å; W106-W152 HydrophobicContact CZ2-CG 3.49Å; W106-W152 VanDerWaalsContact CZ2-CG 3.49Å; W106-I154 HydrophobicContact CH2-CD1 4.41Å; W106-P255 HydrophobicContact CD2-CG 3.64Å; W106-P255 HydrophobicContact CE3-CG 3.71Å; W106-P255 HydrophobicContact CG-CG 4.47Å; W106-P255 HydrophobicContact CH2-CB 3.48Å; W106-P255 VanDerWaalsContact CH2-CB 3.48Å; W106-P255 HydrophobicContact CH2-CG 3.39Å; W106-P255 HydrophobicContact CZ2-CB 3.42Å; W106-P255 VanDerWaalsContact CZ2-CB 3.42Å; W106-P255 HydrophobicContact CZ2-CG 3.26Å; W106-P255 HydrophobicContact CZ3-CB 4.14Å; W106-P255 HydrophobicContact CZ3-CG 3.61Å; W106-V268 HydrophobicContact CH2-CG1 4.15Å; W106-V268 HydrophobicContact CH2-CG2 3.93Å; W106-V268 HydrophobicContact CZ3-CG1 4.39Å; W106-V268 HydrophobicContact CZ3-CG2 3.74Å; W106-S271 PolarHBondContact N-OG 2.95Å; W106-S271 VanDerWaalsContact N-OG 3.11Å; W106-S271 PolarHBondContact NE1-OG 2.96Å
107	V	98.6	Very high	94.3	Very high	36 Å²	36	54.3 Å²	54.3	22%	0.218	31%	0.307	C	S	.	.			trans	-133.7	177.7	174.3	-62	0	0	0	0	108.9	F104 D109 N123 R124 S142	F104-V107 HydrophobicContact CB-CG1 4.18Å; V107-D109 PolarHBondContact O-N 2.87Å; V107-N123 HydrophobicContact CB-CB 4.35Å; V107-N123 HydrophobicContact CG2-CB 3.94Å; V107-R124 HydrophobicContact CB-CG 4.42Å; V107-R124 HydrophobicContact CG1-CG 3.77Å; V107-S142 PolarHBondContact N-OG 3.43Å; V107-S142 WeakPolarHBondContact O-CB 3.22Å; V107-S142 PolarHBondContact O-N 3.06Å; V107-S142 PolarHBondContact O-OG 2.92Å; V107-S142 VanDerWaalsContact O-OG 3.06Å
108	W	98.7	Very high	94.6	Very high	1 Å²	1	56.1 Å²	56.1	0%	0.004	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	139.9	175.8	-59.6	124.7	0	0	0	111.5	W106 L119 N123 R124 V126 V139 I154 A257 V268	W106-W108 HydrophobicContact CH2-CH2 4.14Å; W106-W108 HydrophobicContact CH2-CZ3 4.05Å; W106-W108 HydrophobicContact CZ3-CD2 4.35Å; W106-W108 AromaticContact CZ3-CE3 3.84Å; W106-W108 HydrophobicContact CZ3-CE3 3.84Å; W106-W108 HydrophobicContact CZ3-CH2 4.2Å; W106-W108 AromaticContact CZ3-CZ3 3.75Å; W106-W108 HydrophobicContact CZ3-CZ3 3.75Å; W108-L119 HydrophobicContact CB-CD1 3.97Å; W108-L119 HydrophobicContact CB-CD2 3.83Å; W108-L119 HydrophobicContact CG-CD2 4.33Å; W108-N123 VanDerWaalsContact CB-O 3.26Å; W108-N123 WeakPolarHBondContact CB-O 3.37Å; W108-N123 VanDerWaalsContact CD1-O 3.3Å; W108-N123 PolarHBondContact N-O 3.35Å; W108-N123 WeakPolarHBondContact O-CB 3.22Å; W108-R124 VanDerWaalsContact CD1-O 3.29Å; W108-R124 PolarHBondContact NE1-O 3.1Å; W108-R124 VanDerWaalsContact NE1-O 3.13Å; W108-V126 HydrophobicContact CG-CB 4.46Å; W108-V139 HydrophobicContact CB-CG2 3.8Å; W108-V139 HydrophobicContact CD2-CG1 3.93Å; W108-V139 HydrophobicContact CD2-CG2 4.18Å; W108-V139 HydrophobicContact CE3-CG1 3.84Å; W108-V139 HydrophobicContact CE3-CG2 4.06Å; W108-V139 HydrophobicContact CG-CG1 4.43Å; W108-V139 HydrophobicContact CG-CG2 4.1Å; W108-V139 HydrophobicContact CZ3-CG1 4.17Å; W108-I154 HydrophobicContact CH2-CD1 3.83Å; W108-I154 HydrophobicContact CH2-CG1 4.48Å; W108-I154 HydrophobicContact CZ2-CD1 3.56Å; W108-I154 HydrophobicContact CZ2-CG1 4.39Å; W108-A257 HydrophobicContact CH2-CB 3.86Å; W108-A257 HydrophobicContact CZ2-CB 4.17Å; W108-V268 HydrophobicContact CD2-CG2 3.99Å; W108-V268 HydrophobicContact CG-CG2 4.39Å; W108-V268 HydrophobicContact CH2-CG2 4.32Å; W108-V268 HydrophobicContact CZ2-CG2 3.61Å
109	D	98.3	Very high	95	Very high	31 Å²	31	56.8 Å²	56.8	17%	0.166	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	123.2	179.1	-171.9	-1.7	0	0	0	110.6	V107 S111 S112 R140	V107-D109 PolarHBondContact O-N 2.87Å; D109-S111 VanDerWaalsContact CG-OG 3.24Å; D109-S111 PolarHBondContact O-N 3.49Å; D109-S111 PolarHBondContact OD1-N 3.36Å; D109-S111 PolarHBondContact OD1-OG 3.1Å; D109-S111 PolarHBondContact OD2-OG 2.62Å; D109-S112 VanDerWaalsContact CG-N 3.33Å; D109-S112 WeakPolarHBondContact OD2-CB 3.29Å; D109-S112 PolarHBondContact OD2-N 2.69Å; D109-S112 PolarHBondContact OD2-OG 3.28Å; D109-R140 WeakPolarHBondContact CB-O 3.28Å; D109-R140 PolarHBondContact N-O 3.46Å
110	A	96.9	Very high	95.2	Very high	52 Å²	52	57.8 Å²	57.8	43%	0.43	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	-21.3	175.8	0	0	0	0	0	113.1	R113 L119	A110-R113 WeakPolarHBondContact O-CD 3.45Å; A110-R113 PolarHBondContact O-NE 3.09Å; A110-L119 HydrophobicContact CB-CD1 4.19Å
111	S	96.4	Very high	95.5	Very high	102 Å²	102	55.5 Å²	55.5	71%	0.713	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.3	-29.6	-179.5	69.6	0	0	0	0	113.7	D109	D109-S111 VanDerWaalsContact CG-OG 3.24Å; D109-S111 PolarHBondContact O-N 3.49Å; D109-S111 PolarHBondContact OD1-N 3.36Å; D109-S111 PolarHBondContact OD1-OG 3.1Å; D109-S111 PolarHBondContact OD2-OG 2.62Å
112	S	96.8	Very high	96	Very high	25 Å²	25	60.1 Å²	60.1	18%	0.175	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	71	178.1	-57	0	0	0	0	111.8	D109 R140 L176	D109-S112 VanDerWaalsContact CG-N 3.33Å; D109-S112 WeakPolarHBondContact OD2-CB 3.29Å; D109-S112 PolarHBondContact OD2-N 2.69Å; D109-S112 PolarHBondContact OD2-OG 3.28Å; S112-R140 PolarHBondContact O-N 3.45Å; S112-R140 PolarHBondContact OG-NH1 2.91Å; S112-L176 WeakPolarHBondContact O-CD1 3.29Å
113	R	96.8	Very high	96.6	Very high	82 Å²	82	55.6 Å²	55.6	31%	0.309	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	154.8	-179.5	66.3	-168.2	-178	105.2	0.1	112	A110 T117 V139	A110-R113 WeakPolarHBondContact O-CD 3.45Å; A110-R113 PolarHBondContact O-NE 3.09Å; R113-T117 WeakPolarHBondContact CB-OG1 3Å; R113-T117 WeakPolarHBondContact CD-OG1 3.3Å; R113-T117 WeakPolarHBondContact CG-OG1 3.41Å; R113-T117 VanDerWaalsContact NH1-C 3.31Å; R113-T117 PolarHBondContact NH1-O 2.79Å; R113-T117 PolarHBondContact NH1-OG1 2.69Å; R113-V139 HydrophobicContact CB-CB 4.23Å; R113-V139 HydrophobicContact CB-CG2 3.88Å
114	S	96.6	Very high	97	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.007	29%	0.291	C	S	.	.			trans	-64.9	152.7	172.2	-61.2	0	0	0	0	112.3	A116 T117 A138 L176 D177	S114-A116 PolarHBondContact O-N 3.01Å; S114-T117 WeakPolarHBondContact O-CB 3.34Å; S114-T117 WeakPolarHBondContact O-CG2 3.42Å; S114-T117 PolarHBondContact O-N 2.87Å; S114-T117 VanDerWaalsContact O-N 3.17Å; S114-T117 PolarHBondContact O-OG1 3.5Å; S114-A138 PolarHBondContact N-O 2.91Å; S114-A138 PolarHBondContact OG-N 3.08Å; S114-A138 PolarHBondContact OG-O 3.06Å; S114-L176 PolarHBondContact OG-O 2.91Å; S114-D177 WeakPolarHBondContact CA-OD1 3.22Å; S114-D177 WeakPolarHBondContact CB-OD1 3.32Å; S114-D177 PolarHBondContact OG-OD1 2.68Å; S114-D177 VanDerWaalsContact OG-OD1 3.09Å
115	T	93.3	Very high	97.1	Very high	117 Å²	117	49.9 Å²	49.9	72%	0.718	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-32.5	177.9	55.8	0	0	0	0	113.1	T117 D177	T115-T117 PolarHBondContact O-N 2.66Å; T115-D177 PolarHBondContact N-OD1 2.85Å
116	A	95.7	Very high	97.2	Very high	31 Å²	31	46.7 Å²	46.7	26%	0.256	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	27.3	177.2	0	0	0	0	0	113.7	S114 H129 A137	S114-A116 PolarHBondContact O-N 3.01Å; A116-H129 PolarHBondContact O-N 2.87Å; A116-A137 HydrophobicContact CB-CB 4.14Å
117	T	97.4	Very high	97.2	Very high	11 Å²	11	47.3 Å²	47.3	7%	0.067	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	151.1	175.2	66.7	0	0	0	0	111.4	R113 S114 T115 V126 S127 F128 A137	R113-T117 WeakPolarHBondContact CB-OG1 3Å; R113-T117 WeakPolarHBondContact CD-OG1 3.3Å; R113-T117 WeakPolarHBondContact CG-OG1 3.41Å; R113-T117 VanDerWaalsContact NH1-C 3.31Å; R113-T117 PolarHBondContact NH1-O 2.79Å; R113-T117 PolarHBondContact NH1-OG1 2.69Å; S114-T117 WeakPolarHBondContact O-CB 3.34Å; S114-T117 WeakPolarHBondContact O-CG2 3.42Å; S114-T117 PolarHBondContact O-N 2.87Å; S114-T117 VanDerWaalsContact O-N 3.17Å; S114-T117 PolarHBondContact O-OG1 3.5Å; T115-T117 PolarHBondContact O-N 2.66Å; T117-V126 HydrophobicContact CG2-CG2 4.28Å; T117-S127 CarbonylContact C-O 3.51Å; T117-S127 WeakPolarHBondContact CA-O 3.49Å; T117-F128 HydrophobicContact CG2-CD1 3.73Å; T117-F128 HydrophobicContact CG2-CE1 3.94Å; T117-A137 HydrophobicContact CG2-CB 4.2Å
118	L	97.9	Very high	97.1	Very high	86 Å²	86	45.6 Å²	45.6	45%	0.45	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	128.2	170.3	177.3	65.7	0	0	0	109	T120 S127	L118-T120 HydrophobicContact CG-CG2 4.38Å; L118-S127 PolarHBondContact N-O 3.36Å; L118-S127 PolarHBondContact O-N 2.92Å
119	L	98.3	Very high	97	Very high	19 Å²	19	45.8 Å²	45.8	10%	0.099	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	137.1	177.7	-57.8	-173.4	0	0	0	110.8	W108 A110 N123 K125 V126 V139	W108-L119 HydrophobicContact CB-CD1 3.97Å; W108-L119 HydrophobicContact CB-CD2 3.83Å; W108-L119 HydrophobicContact CG-CD2 4.33Å; A110-L119 HydrophobicContact CB-CD1 4.19Å; L119-N123 HydrophobicContact CB-CB 4.43Å; L119-N123 WeakPolarHBondContact CB-OD1 3.49Å; L119-N123 HydrophobicContact CD1-CB 4.14Å; L119-K125 CarbonylContact C-O 3.53Å; L119-K125 WeakPolarHBondContact CA-O 3.39Å; L119-V126 HydrophobicContact CD2-CB 3.69Å; L119-V126 HydrophobicContact CD2-CG2 3.81Å; L119-V139 HydrophobicContact CD2-CG2 4.46Å
120	T	97.3	Very high	96.8	Very high	55 Å²	55	46.9 Å²	46.9	34%	0.337	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	175.6	178.9	56.1	0	0	0	0	110.2	L118 N123 R124 K125	L118-T120 HydrophobicContact CG-CG2 4.38Å; T120-N123 PolarHBondContact O-N 3.01Å; T120-R124 PolarHBondContact O-N 2.94Å; T120-K125 PolarHBondContact N-O 2.9Å; T120-K125 PolarHBondContact O-N 3.18Å
121	C	95	Very high	96.4	Very high	56 Å²	56	50.6 Å²	50.6	38%	0.378	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.2	55.7	-178.5	-55.8	0	0	0	0	112.5	N123 R124 K125	C121-N123 VanDerWaalsContact C-N 3.28Å; C121-N123 PolarHBondContact O-N 3.04Å; C121-R124 VanDerWaalsContact O-CB 3.27Å; C121-R124 WeakPolarHBondContact O-CB 3.48Å; C121-R124 WeakPolarHBondContact O-CG 3.32Å; C121-R124 PolarHBondContact O-N 3.36Å; C121-R124 PolarHBondContact O-NE 2.84Å; C121-K125 HydrophobicContact CB-CB 4.13Å
122	D	96.3	Very high	96.2	Very high	138 Å²	138	53.9 Å²	53.9	74%	0.738	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	56	43.8	-177.4	-47.6	-48.6	0	0	0	112.3	R124	D122-R124 PolarHBondContact O-N 3.41Å
123	N	98.1	Very high	96.1	Very high	60 Å²	60	54 Å²	54	32%	0.321	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.1	17.5	-175.5	-59.9	-22	0	0	0	115.5	V107 W108 L119 T120 C121	V107-N123 HydrophobicContact CB-CB 4.35Å; V107-N123 HydrophobicContact CG2-CB 3.94Å; W108-N123 VanDerWaalsContact CB-O 3.26Å; W108-N123 WeakPolarHBondContact CB-O 3.37Å; W108-N123 VanDerWaalsContact CD1-O 3.3Å; W108-N123 PolarHBondContact N-O 3.35Å; W108-N123 WeakPolarHBondContact O-CB 3.22Å; L119-N123 HydrophobicContact CB-CB 4.43Å; L119-N123 WeakPolarHBondContact CB-OD1 3.49Å; L119-N123 HydrophobicContact CD1-CB 4.14Å; T120-N123 PolarHBondContact O-N 3.01Å; C121-N123 VanDerWaalsContact C-N 3.28Å; C121-N123 PolarHBondContact O-N 3.04Å
124	R	97.8	Very high	96	Very high	36 Å²	36	52.2 Å²	52.2	14%	0.136	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-28.9	175.3	-63.3	-174.7	-65	147.8	-9.9	113.3	F104 V107 W108 T120 C121 D122 K267 V268	F104-R124 VanDerWaalsContact CZ-NH1 3.34Å; V107-R124 HydrophobicContact CB-CG 4.42Å; V107-R124 HydrophobicContact CG1-CG 3.77Å; W108-R124 VanDerWaalsContact CD1-O 3.29Å; W108-R124 PolarHBondContact NE1-O 3.1Å; W108-R124 VanDerWaalsContact NE1-O 3.13Å; T120-R124 PolarHBondContact O-N 2.94Å; C121-R124 VanDerWaalsContact O-CB 3.27Å; C121-R124 WeakPolarHBondContact O-CB 3.48Å; C121-R124 WeakPolarHBondContact O-CG 3.32Å; C121-R124 PolarHBondContact O-N 3.36Å; C121-R124 PolarHBondContact O-NE 2.84Å; D122-R124 PolarHBondContact O-N 3.41Å; R124-K267 HydrophobicContact CB-CG 4.4Å; R124-K267 CarbonylContact O-C 3.56Å; R124-K267 VanDerWaalsContact O-CA 3.3Å; R124-K267 WeakPolarHBondContact O-CA 3.43Å; R124-V268 HydrophobicContact CB-CB 4.5Å; R124-V268 PolarHBondContact O-N 2.98Å
125	K	97.9	Very high	96	Very high	30 Å²	30	52.1 Å²	52.1	13%	0.13	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	122.4	179	-175.8	174.5	-178	172.9	0	109.7	D94 L119 T120 C121 T157 M266 K267	D94-K125 IonicContact OD1-NZ 3.58Å; L119-K125 CarbonylContact C-O 3.53Å; L119-K125 WeakPolarHBondContact CA-O 3.39Å; T120-K125 PolarHBondContact N-O 2.9Å; T120-K125 PolarHBondContact O-N 3.18Å; C121-K125 HydrophobicContact CB-CB 4.13Å; K125-T157 WeakPolarHBondContact CE-OG1 3.23Å; K125-M266 WeakPolarHBondContact CA-O 3.46Å; K125-K267 HydrophobicContact CB-CB 4.29Å; K125-K267 HydrophobicContact CB-CG 4.17Å; K125-K267 HydrophobicContact CG-CB 4.42Å
126	V	98.4	Very high	96.2	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	130.4	169.9	57.9	0	0	0	0	108.9	W108 T117 L119 F128 V139 S265 M266	W108-V126 HydrophobicContact CG-CB 4.46Å; T117-V126 HydrophobicContact CG2-CG2 4.28Å; L119-V126 HydrophobicContact CD2-CB 3.69Å; L119-V126 HydrophobicContact CD2-CG2 3.81Å; V126-F128 HydrophobicContact CB-CE2 4.32Å; V126-F128 HydrophobicContact CB-CZ 4.32Å; V126-F128 HydrophobicContact CG1-CD2 4.45Å; V126-F128 HydrophobicContact CG1-CE2 3.54Å; V126-F128 HydrophobicContact CG1-CZ 3.66Å; V126-F128 HydrophobicContact CG2-CD1 4.26Å; V126-F128 HydrophobicContact CG2-CD2 4.27Å; V126-F128 HydrophobicContact CG2-CE1 3.85Å; V126-F128 HydrophobicContact CG2-CE2 3.88Å; V126-F128 HydrophobicContact CG2-CG 4.46Å; V126-F128 HydrophobicContact CG2-CZ 3.65Å; V126-V139 HydrophobicContact CB-CG1 4.25Å; V126-V139 HydrophobicContact CG1-CG1 4.02Å; V126-V139 HydrophobicContact CG2-CB 4.35Å; V126-V139 HydrophobicContact CG2-CG1 4.03Å; V126-S265 CarbonylContact O-C 3.59Å; V126-S265 WeakPolarHBondContact O-CA 3.36Å; V126-S265 WeakPolarHBondContact O-CB 3.35Å; V126-M266 HydrophobicContact CG1-CB 4.06Å; V126-M266 WeakPolarHBondContact CG1-O 3.33Å; V126-M266 PolarHBondContact N-O 3.07Å; V126-M266 PolarHBondContact O-N 3.11Å
127	S	97.9	Very high	96.3	Very high	25 Å²	25	45.2 Å²	45.2	18%	0.175	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	128.5	167.4	-63.3	0	0	0	0	108.6	T117 L118 S264	T117-S127 CarbonylContact C-O 3.51Å; T117-S127 WeakPolarHBondContact CA-O 3.49Å; L118-S127 PolarHBondContact N-O 3.36Å; L118-S127 PolarHBondContact O-N 2.92Å; S127-S264 CarbonylContact C-O 3.58Å; S127-S264 VanDerWaalsContact CA-O 3.32Å; S127-S264 WeakPolarHBondContact CA-O 3Å
128	F	98	Very high	96.4	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	140.5	176.8	-54.9	-91.1	0	0	0	109.5	T117 V126 S130 A137 V139 A257 K263 S264 M266	T117-F128 HydrophobicContact CG2-CD1 3.73Å; T117-F128 HydrophobicContact CG2-CE1 3.94Å; V126-F128 HydrophobicContact CB-CE2 4.32Å; V126-F128 HydrophobicContact CB-CZ 4.32Å; V126-F128 HydrophobicContact CG1-CD2 4.45Å; V126-F128 HydrophobicContact CG1-CE2 3.54Å; V126-F128 HydrophobicContact CG1-CZ 3.66Å; V126-F128 HydrophobicContact CG2-CD1 4.26Å; V126-F128 HydrophobicContact CG2-CD2 4.27Å; V126-F128 HydrophobicContact CG2-CE1 3.85Å; V126-F128 HydrophobicContact CG2-CE2 3.88Å; V126-F128 HydrophobicContact CG2-CG 4.46Å; V126-F128 HydrophobicContact CG2-CZ 3.65Å; F128-S130 PolarHBondContact O-N 2.86Å; F128-A137 HydrophobicContact CD1-CB 3.78Å; F128-V139 HydrophobicContact CE1-CG1 4.24Å; F128-V139 HydrophobicContact CZ-CG1 3.95Å; F128-A257 HydrophobicContact CZ-CB 4.34Å; F128-K263 PolarHBondContact O-N 3.43Å; F128-S264 PolarHBondContact N-O 3.36Å; F128-S264 PolarHBondContact O-N 3.19Å; F128-M266 HydrophobicContact CE2-CE 4.46Å; F128-M266 HydrophobicContact CE2-CG 4.28Å; F128-M266 HydrophobicContact CE2-SD 4.21Å
129	H	96.6	Very high	96.4	Very high	5 Å²	5	40.6 Å²	40.6	2%	0.023	22%	0.218	C	C	.	.			trans	52.1	60	170.5	-62.6	-66	0	0	0	113.1	A116 D131 Y132 S133 G135 A137 K263	A116-H129 PolarHBondContact O-N 2.87Å; H129-D131 PolarHBondContact O-N 3.44Å; H129-Y132 WeakPolarHBondContact CB-O 3.29Å; H129-S133 PolarHBondContact CD2-OG 2.91Å; H129-G135 PolarHBondContact NE2-O 3.16Å; H129-A137 WeakPolarHBondContact NE2-CB 3.25Å; H129-K263 PolarHBondContact O-N 2.74Å
130	S	92.7	Very high	96.4	Very high	54 Å²	54	41 Å²	41	38%	0.378	22%	0.219	S	C	.	.	S	Bend	trans	-54.6	-27.6	-172.9	-58.3	0	0	0	0	115.2	F128 K263	F128-S130 PolarHBondContact O-N 2.86Å; S130-K263 VanDerWaalsContact O-CE 3.3Å; S130-K263 WeakPolarHBondContact O-CE 3.5Å; S130-K263 VanDerWaalsContact O-CG 3.3Å; S130-K263 WeakPolarHBondContact O-CG 3.42Å
131	D	89.4	Confident	96.5	Very high	129 Å²	129	38.4 Å²	38.4	69%	0.69	20%	0.203	S	C	*	.	S	Bend	trans	-107.4	-68.4	179.6	-59.3	-44.6	0	0	0	111.2	H129 K263	H129-D131 PolarHBondContact O-N 3.44Å; D131-K263 WeakPolarHBondContact O-CE 3.42Å
132	Y	91.5	Very high	96.7	Very high	171 Å²	171	38.1 Å²	38.1	67%	0.671	20%	0.202	S	C	*	.			trans	-138.3	160.6	177.6	67.5	-84.4	0	0	0	110.3	H129 C134	H129-Y132 WeakPolarHBondContact CB-O 3.29Å; Y132-C134 HydrophobicContact CD2-CB 4.47Å; Y132-C134 HydrophobicContact CE2-CB 4.05Å
133	S	94.9	Very high	96.8	Very high	27 Å²	27	39.5 Å²	39.5	19%	0.189	20%	0.196	C	C	.	.			trans	-99.4	130.8	176.8	-169.7	0	0	0	0	111.1	H129 G135 F183 T260	H129-S133 PolarHBondContact CD2-OG 2.91Å; S133-G135 PolarHBondContact OG-O 3.2Å; S133-F183 WeakPolarHBondContact OG-CE1 3.48Å; S133-T260 VanDerWaalsContact CB-O 3.28Å; S133-T260 WeakPolarHBondContact CB-O 3.26Å; S133-T260 PolarHBondContact OG-O 3.06Å
134	C	94.3	Very high	96.7	Very high	45 Å²	45	39.7 Å²	39.7	30%	0.304	20%	0.195	S	C	.	.			trans	-116	-2.7	177.9	56.7	0	0	0	0	113	Y132 R180 H181	Y132-C134 HydrophobicContact CD2-CB 4.47Å; Y132-C134 HydrophobicContact CE2-CB 4.05Å; C134-R180 CarbonylContact C-O 3.54Å; C134-R180 PolarHBondContact SG-O 3.06Å; C134-R180 VanDerWaalsContact SG-O 3.37Å; C134-H181 CarbonylContact O-C 3.54Å; C134-H181 WeakPolarHBondContact O-CA 3.36Å
135	G	97.1	Very high	96.7	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.19	C	C	.	.	S	Bend	trans	172.9	-139	-177.5	0	0	0	0	0	111.7	H129 S133 T182 F183 T260	H129-G135 PolarHBondContact NE2-O 3.16Å; S133-G135 PolarHBondContact OG-O 3.2Å; G135-T182 CarbonylContact C-O 3.58Å; G135-F183 WeakPolarHBondContact O-CD1 3.38Å; G135-T260 WeakPolarHBondContact O-CA 3.45Å
136	T	98.2	Very high	96.5	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.006	20%	0.2	C	C	.	.			trans	-114.6	127.7	178.2	-43.8	0	0	0	0	109.9	Y179 T182 C184 L186 C258 T260	T136-Y179 PolarHBondContact N-O 2.85Å; T136-T182 PolarHBondContact N-O 3.49Å; T136-T182 PolarHBondContact OG1-O 2.93Å; T136-C184 WeakPolarHBondContact CG2-O 3.39Å; T136-C184 PolarHBondContact OG1-N 3.36Å; T136-C184 PolarHBondContact OG1-O 3Å; T136-L186 HydrophobicContact CG2-CB 3.82Å; T136-L186 HydrophobicContact CG2-CD1 4.2Å; T136-C258 HydrophobicContact CG2-CB 4.36Å; T136-T260 HydrophobicContact CG2-CG2 3.9Å; T136-T260 WeakPolarHBondContact OG1-CG2 3.09Å
137	A	98.3	Very high	96.2	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.008	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	144.2	173.3	0	0	0	0	0	110.5	A116 T117 F128 H129 C258 S259	A116-A137 HydrophobicContact CB-CB 4.14Å; T117-A137 HydrophobicContact CG2-CB 4.2Å; F128-A137 HydrophobicContact CD1-CB 3.78Å; H129-A137 WeakPolarHBondContact NE2-CB 3.25Å; A137-C258 CarbonylContact O-C 3.19Å; A137-C258 WeakPolarHBondContact O-CA 3.47Å; A137-C258 WeakPolarHBondContact O-CB 3.41Å; A137-S259 PolarHBondContact N-O 3.25Å; A137-S259 PolarHBondContact O-N 3.35Å
138	A	98.5	Very high	96.1	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	160.3	-179.5	0	0	0	0	0	112.3	S114 L176 L186 A257 C258	S114-A138 PolarHBondContact N-O 2.91Å; S114-A138 PolarHBondContact OG-N 3.08Å; S114-A138 PolarHBondContact OG-O 3.06Å; A138-L176 HydrophobicContact CB-CB 4.23Å; A138-L176 HydrophobicContact CB-CD2 3.89Å; A138-L186 HydrophobicContact CB-CD1 3.95Å; A138-L186 HydrophobicContact CB-CD2 4.38Å; A138-A257 CarbonylContact C-O 3.52Å; A138-A257 VanDerWaalsContact CA-O 3.3Å; A138-A257 WeakPolarHBondContact CA-O 3.33Å; A138-C258 HydrophobicContact CB-CB 3.76Å
139	V	98.8	Very high	96	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	146.9	175.9	64.1	0	0	0	0	110	W108 R113 L119 V126 F128 M256 A257	W108-V139 HydrophobicContact CB-CG2 3.8Å; W108-V139 HydrophobicContact CD2-CG1 3.93Å; W108-V139 HydrophobicContact CD2-CG2 4.18Å; W108-V139 HydrophobicContact CE3-CG1 3.84Å; W108-V139 HydrophobicContact CE3-CG2 4.06Å; W108-V139 HydrophobicContact CG-CG1 4.43Å; W108-V139 HydrophobicContact CG-CG2 4.1Å; W108-V139 HydrophobicContact CZ3-CG1 4.17Å; R113-V139 HydrophobicContact CB-CB 4.23Å; R113-V139 HydrophobicContact CB-CG2 3.88Å; L119-V139 HydrophobicContact CD2-CG2 4.46Å; V126-V139 HydrophobicContact CB-CG1 4.25Å; V126-V139 HydrophobicContact CG1-CG1 4.02Å; V126-V139 HydrophobicContact CG2-CB 4.35Å; V126-V139 HydrophobicContact CG2-CG1 4.03Å; F128-V139 HydrophobicContact CE1-CG1 4.24Å; F128-V139 HydrophobicContact CZ-CG1 3.95Å; V139-M256 WeakPolarHBondContact O-CA 3.07Å; V139-A257 HydrophobicContact CG1-CB 4.14Å; V139-A257 PolarHBondContact N-O 2.89Å; V139-A257 PolarHBondContact O-N 2.85Å; V139-A257 VanDerWaalsContact O-N 3.11Å
140	R	98.6	Very high	96	Very high	28 Å²	28	44.8 Å²	44.8	11%	0.106	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	149.8	175.6	-173.3	-171.5	-72.4	139	-2.6	110	D109 S112 T171 S172 V174 L176 Y254 P255 M256	D109-R140 WeakPolarHBondContact CB-O 3.28Å; D109-R140 PolarHBondContact N-O 3.46Å; S112-R140 PolarHBondContact O-N 3.45Å; S112-R140 PolarHBondContact OG-NH1 2.91Å; R140-T171 PolarHBondContact NH2-O 3.26Å; R140-S172 PolarHBondContact NH2-O 3.36Å; R140-V174 PolarHBondContact NH2-O 3.26Å; R140-L176 HydrophobicContact CB-CD1 4.07Å; R140-Y254 HydrophobicContact CG-CD1 3.95Å; R140-Y254 HydrophobicContact CG-CG 3.74Å; R140-P255 CarbonylContact C-O 3.57Å; R140-M256 HydrophobicContact CB-CE 4.44Å; R140-M256 HydrophobicContact CB-CG 4.46Å; R140-M256 HydrophobicContact CG-CE 3.97Å; R140-M256 HydrophobicContact CG-CG 4.37Å; R140-M256 VanDerWaalsContact NE-CE 3.34Å
141	G	98.6	Very high	96.2	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.01	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	155.1	169.4	0	0	0	0	0	113.1	R143 P255	G141-R143 VanDerWaalsContact C-N 3.26Å; G141-R143 PolarHBondContact O-N 3.23Å; G141-P255 PolarHBondContact N-O 3.19Å
142	S	98.4	Very high	96.7	Very high	50 Å²	50	36.2 Å²	36.2	35%	0.35	18%	0.181	S	C	.	.	S	Bend	trans	-74.5	-10.2	-175.9	63.2	0	0	0	0	115.1	V107	V107-S142 PolarHBondContact N-OG 3.43Å; V107-S142 WeakPolarHBondContact O-CB 3.22Å; V107-S142 PolarHBondContact O-N 3.06Å; V107-S142 PolarHBondContact O-OG 2.92Å; V107-S142 VanDerWaalsContact O-OG 3.06Å
143	R	97.9	Very high	97	Very high	167 Å²	167	28.2 Å²	28.2	63%	0.63	15%	0.15	S	C	*	.	S	Bend	trans	-132.2	145.3	177.8	-58	-164.7	-177.3	-154.5	-0.7	111.5	D105 W106 G141 Y254	D105-R143 WeakPolarHBondContact O-CD 3.49Å; D105-R143 PolarHBondContact O-NE 3.11Å; D105-R143 VanDerWaalsContact O-NE 3.13Å; W106-R143 HydrophobicContact CB-CB 3.91Å; W106-R143 HydrophobicContact CB-CG 3.97Å; G141-R143 VanDerWaalsContact C-N 3.26Å; G141-R143 PolarHBondContact O-N 3.23Å; R143-Y254 VanDerWaalsContact O-CD1 3.3Å; R143-Y254 WeakPolarHBondContact O-CD1 3.01Å
144	E	97.8	Very high	97.1	Very high	64 Å²	64	27 Å²	27	30%	0.299	14%	0.141	S	C	.	.			trans	-70.7	138.4	168	-167.5	-171.3	90.7	0	0	109.6	A146 R252 Y254	E144-A146 PolarHBondContact O-N 3.4Å; E144-R252 HydrophobicContact CG-CB 3.95Å; E144-R252 IonicContact OE1-CZ 2.62Å; E144-R252 IonicContact OE1-NE 3.82Å; E144-R252 PolarHBondContact OE1-NE 3.3Å; E144-R252 IonicContact OE1-NH2 2.95Å; E144-R252 PolarHBondContact OE1-NH2 2.86Å; E144-R252 IonicContact OE2-NE 2.71Å; E144-Y254 VanDerWaalsContact CA-CE1 3.45Å; E144-Y254 HydrophobicContact CB-CD1 4.34Å; E144-Y254 HydrophobicContact CB-CE1 3.66Å; E144-Y254 HydrophobicContact CB-CE2 4.28Å; E144-Y254 HydrophobicContact CG-CE1 4.32Å; E144-Y254 HydrophobicContact CG-CE2 4.05Å; E144-Y254 VanDerWaalsContact N-CE1 3.29Å
145	L	96.9	Very high	97.3	Very high	6 Å²	6	25 Å²	25	3%	0.031	13%	0.127	C	C	.	.	B	Isolated β-bridge	trans	-79.6	88.5	175.4	-54.8	177.1	0	0	0	108.3	H150 W152 I169 L225 F253 P255	L145-H150 HydrophobicContact CD2-CB 4.13Å; L145-W152 HydrophobicContact CD1-CH2 3.63Å; L145-W152 HydrophobicContact CD1-CZ3 3.66Å; L145-I169 HydrophobicContact CD1-CG2 4.49Å; L145-L225 HydrophobicContact CB-CD2 3.96Å; L145-L225 HydrophobicContact CD1-CD2 3.61Å; L145-L225 HydrophobicContact CG-CD2 4.45Å; L145-F253 WeakPolarHBondContact CB-O 3.4Å; L145-F253 HydrophobicContact CD1-CB 4.47Å; L145-F253 PolarHBondContact N-O 3.31Å; L145-P255 HydrophobicContact CD2-CG 4.5Å
146	A	92.9	Very high	97.3	Very high	41 Å²	41	25 Å²	25	34%	0.339	13%	0.127	S	C	.	.			trans	-69.1	-166.6	-179.2	0	0	0	0	0	112.8	E144 G148 H150 T227	E144-A146 PolarHBondContact O-N 3.4Å; A146-G148 PolarHBondContact O-N 2.89Å; A146-H150 PolarHBondContact O-NE2 3.39Å; A146-T227 WeakPolarHBondContact O-CG2 3.08Å
147	D	93.9	Very high	97.1	Very high	134 Å²	134	26.3 Å²	26.3	72%	0.717	14%	0.135	S	C	*	.	S	Bend	trans	-68.5	135.8	-177	-55.4	-11.5	0	0	0	111.9	R252	D147-R252 IonicContact OD1-NH1 2.69Å; D147-R252 PolarHBondContact OD1-NH1 3.17Å
148	G	94.5	Very high	96.8	Very high	5 Å²	5	26.8 Å²	26.8	5%	0.052	14%	0.138	C	C	.	.	S	Bend	trans	130.1	-155.5	-176.4	0	0	0	0	0	114.1	A146 T227	A146-G148 PolarHBondContact O-N 2.89Å; G148-T227 PolarHBondContact N-OG1 3.42Å; G148-T227 PolarHBondContact O-N 2.9Å; G148-T227 VanDerWaalsContact O-N 3.1Å; G148-T227 PolarHBondContact O-OG1 3.14Å
149	Q	96.1	Very high	96.5	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	121.7	-176.9	-53	-66.2	-39.9	0	0	107.8	H224 D226 S273 T274 T276 Y280 W316	Q149-H224 PolarHBondContact OE1-CE1 2.78Å; Q149-H224 PolarHBondContact OE1-NE2 3.07Å; Q149-H224 VanDerWaalsContact OE1-NE2 3.16Å; Q149-D226 PolarHBondContact NE2-OD1 3.43Å; Q149-D226 PolarHBondContact OE1-OD2 2.86Å; Q149-S273 CarbonylContact O-C 3.58Å; Q149-S273 WeakPolarHBondContact O-CA 3.48Å; Q149-T274 HydrophobicContact CB-CG2 3.96Å; Q149-T274 HydrophobicContact CG-CG2 4.38Å; Q149-T274 PolarHBondContact N-O 2.68Å; Q149-T274 PolarHBondContact O-N 3.14Å; Q149-T276 PolarHBondContact NE2-OG1 2.91Å; Q149-Y280 HydrophobicContact CB-CD2 4.43Å; Q149-Y280 HydrophobicContact CB-CE2 3.9Å; Q149-Y280 HydrophobicContact CG-CD1 3.99Å; Q149-Y280 HydrophobicContact CG-CD2 4.03Å; Q149-Y280 HydrophobicContact CG-CE1 3.61Å; Q149-Y280 HydrophobicContact CG-CE2 3.62Å; Q149-Y280 HydrophobicContact CG-CG 4.2Å; Q149-Y280 VanDerWaalsContact CG-CZ 3.41Å; Q149-Y280 PolarHBondContact OE1-OH 3.04Å; Q149-W316 HydrophobicContact CB-CH2 4.08Å; Q149-W316 HydrophobicContact CB-CZ2 4.21Å
150	H	97.1	Very high	96	Very high	16 Å²	16	29 Å²	29	7%	0.074	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	132.5	-178.9	-61	-88.2	0	0	0	109.7	L145 A146 W152 H224 L225 S273	L145-H150 HydrophobicContact CD2-CB 4.13Å; A146-H150 PolarHBondContact O-NE2 3.39Å; H150-W152 HydrophobicContact CB-CE3 4.41Å; H150-W152 HydrophobicContact CB-CZ3 4.13Å; H150-H224 CarbonylContact O-C 3.59Å; H150-H224 VanDerWaalsContact O-CA 3.29Å; H150-H224 WeakPolarHBondContact O-CA 3.49Å; H150-H224 PolarHBondContact O-CD2 3.33Å; H150-L225 HydrophobicContact CB-CB 4.4Å; H150-L225 PolarHBondContact N-O 2.89Å; H150-L225 PolarHBondContact O-N 2.92Å; H150-S273 VanDerWaalsContact ND1-CB 3.34Å; H150-S273 WeakPolarHBondContact ND1-CB 3.44Å
151	F	97.5	Very high	95.7	Very high	2 Å²	2	30.4 Å²	30.4	1%	0.009	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	133.2	175.6	-175.2	-105.7	0	0	0	111	E153 V223 H224 F235 R270 C272 W316 L320	F151-E153 HydrophobicContact CE1-CG 3.78Å; F151-E153 HydrophobicContact CZ-CG 3.88Å; F151-V223 VanDerWaalsContact CA-O 3.32Å; F151-V223 WeakPolarHBondContact CA-O 3.44Å; F151-V223 VanDerWaalsContact CD2-O 3.22Å; F151-V223 WeakPolarHBondContact CD2-O 3.27Å; F151-H224 HydrophobicContact CD2-CB 3.94Å; F151-F235 AromaticContact CE2-CD2 3.82Å; F151-F235 HydrophobicContact CE2-CD2 3.82Å; F151-F235 HydrophobicContact CE2-CE2 4.02Å; F151-F235 HydrophobicContact CE2-CG 4.35Å; F151-R270 HydrophobicContact CD1-CG 4.44Å; F151-C272 PolarHBondContact N-O 3.18Å; F151-C272 PolarHBondContact O-N 3.1Å; F151-C272 VanDerWaalsContact O-O 3.12Å; F151-C272 PolarHBondContact O-SG 3.26Å; F151-W316 HydrophobicContact CB-CD2 3.83Å; F151-W316 HydrophobicContact CB-CE3 3.41Å; F151-W316 VanDerWaalsContact CB-CE3 3.41Å; F151-W316 HydrophobicContact CB-CH2 3.96Å; F151-W316 HydrophobicContact CB-CZ2 4.32Å; F151-W316 HydrophobicContact CB-CZ3 3.49Å; F151-W316 VanDerWaalsContact CB-CZ3 3.49Å; F151-W316 HydrophobicContact CD1-CB 4.05Å; F151-W316 HydrophobicContact CD1-CD2 4.25Å; F151-W316 AromaticContact CD1-CE3 3.87Å; F151-W316 HydrophobicContact CD1-CE3 3.87Å; F151-W316 HydrophobicContact CD1-CG 4.38Å; F151-W316 HydrophobicContact CD2-CE3 4.19Å; F151-W316 HydrophobicContact CD2-CZ3 4.28Å; F151-W316 HydrophobicContact CG-CD2 4.21Å; F151-W316 AromaticContact CG-CE3 3.56Å; F151-W316 HydrophobicContact CG-CE3 3.56Å; F151-W316 AromaticContact CG-CZ3 3.92Å; F151-W316 HydrophobicContact CG-CZ3 3.92Å; F151-L320 HydrophobicContact CD2-CD2 4.18Å; F151-L320 HydrophobicContact CE1-CD2 4.18Å; F151-L320 HydrophobicContact CE2-CD2 3.59Å; F151-L320 HydrophobicContact CZ-CD2 3.6Å
152	W	98.2	Very high	95.4	Very high	1 Å²	1	32 Å²	32	0%	0.004	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	157.3	175.8	66.4	98.4	0	0	0	111.3	W106 L145 H150 I169 G222 V223 L225 P255 R270	W106-W152 HydrophobicContact CH2-CG 4.27Å; W106-W152 HydrophobicContact CZ2-CB 3.62Å; W106-W152 AromaticContact CZ2-CD1 3.68Å; W106-W152 AromaticContact CZ2-CD2 3.97Å; W106-W152 HydrophobicContact CZ2-CD2 3.97Å; W106-W152 AromaticContact CZ2-CG 3.49Å; W106-W152 HydrophobicContact CZ2-CG 3.49Å; W106-W152 VanDerWaalsContact CZ2-CG 3.49Å; L145-W152 HydrophobicContact CD1-CH2 3.63Å; L145-W152 HydrophobicContact CD1-CZ3 3.66Å; H150-W152 HydrophobicContact CB-CE3 4.41Å; H150-W152 HydrophobicContact CB-CZ3 4.13Å; W152-I169 HydrophobicContact CH2-CG2 3.51Å; W152-I169 HydrophobicContact CZ2-CG2 3.65Å; W152-G222 CarbonylContact O-C 3.45Å; W152-G222 VanDerWaalsContact O-CA 3.28Å; W152-G222 WeakPolarHBondContact O-CA 3.49Å; W152-V223 HydrophobicContact CD2-CB 3.89Å; W152-V223 VanDerWaalsContact CE2-CB 3.43Å; W152-V223 HydrophobicContact CE3-CB 4.29Å; W152-V223 HydrophobicContact CH2-CB 3.88Å; W152-V223 HydrophobicContact CH2-CG1 3.47Å; W152-V223 VanDerWaalsContact CH2-CG1 3.47Å; W152-V223 HydrophobicContact CZ2-CB 3.45Å; W152-V223 VanDerWaalsContact CZ2-CB 3.45Å; W152-V223 HydrophobicContact CZ2-CG1 3.35Å; W152-V223 HydrophobicContact CZ2-CG2 3.97Å; W152-V223 HydrophobicContact CZ3-CB 4.27Å; W152-V223 HydrophobicContact CZ3-CG1 4.16Å; W152-V223 PolarHBondContact N-O 3.36Å; W152-V223 PolarHBondContact O-N 3.49Å; W152-L225 HydrophobicContact CH2-CB 4.26Å; W152-L225 HydrophobicContact CZ3-CB 4.07Å; W152-P255 HydrophobicContact CD2-CB 4.32Å; W152-P255 HydrophobicContact CH2-CB 4.48Å; W152-P255 HydrophobicContact CZ2-CB 3.8Å; W152-R270 CarbonylContact C-O 3.53Å; W152-R270 WeakPolarHBondContact CA-O 3.25Å; W152-R270 WeakPolarHBondContact CB-O 3.36Å
153	E	98.1	Very high	95.2	Very high	4 Å²	4	33.4 Å²	33.4	2%	0.019	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	131	178	-67.3	-180	170.9	0	0	110	F151 I220 I221 R238 I269 R270	F151-E153 HydrophobicContact CE1-CG 3.78Å; F151-E153 HydrophobicContact CZ-CG 3.88Å; E153-I220 HydrophobicContact CB-CG2 3.83Å; E153-I220 HydrophobicContact CG-CG2 4.1Å; E153-I221 WeakPolarHBondContact CA-O 3.27Å; E153-R238 IonicContact OE1-NE 3.52Å; E153-R238 IonicContact OE2-NE 3.53Å; E153-R238 IonicContact OE2-NH2 3.88Å; E153-I269 HydrophobicContact CB-CD1 3.98Å; E153-I269 HydrophobicContact CB-CG1 3.59Å; E153-I269 WeakPolarHBondContact O-CG1 3.26Å; E153-I269 PolarHBondContact O-N 3.06Å; E153-R270 HydrophobicContact CB-CB 4.04Å; E153-R270 HydrophobicContact CG-CB 4.27Å; E153-R270 PolarHBondContact N-O 3.36Å; E153-R270 IonicContact OE1-NH1 3.75Å; E153-R270 PolarHBondContact OE1-NH1 2.78Å; E153-R270 VanDerWaalsContact OE1-NH1 3.14Å; E153-R270 IonicContact OE2-CZ 3.85Å; E153-R270 IonicContact OE2-NH1 2.74Å; E153-R270 PolarHBondContact OE2-NH1 3.36Å
154	I	98.4	Very high	95.2	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	122.8	174.3	-55.6	-53.1	0	0	0	109.1	W106 W108 V167 I220 I221 M266 K267 V268	W106-I154 HydrophobicContact CH2-CD1 4.41Å; W108-I154 HydrophobicContact CH2-CD1 3.83Å; W108-I154 HydrophobicContact CH2-CG1 4.48Å; W108-I154 HydrophobicContact CZ2-CD1 3.56Å; W108-I154 HydrophobicContact CZ2-CG1 4.39Å; I154-V167 HydrophobicContact CB-CG1 4.33Å; I154-V167 HydrophobicContact CB-CG2 4.13Å; I154-V167 HydrophobicContact CG1-CG1 3.86Å; I154-V167 HydrophobicContact CG1-CG2 4.36Å; I154-V167 HydrophobicContact CG2-CG2 4.02Å; I154-I220 WeakPolarHBondContact O-CA 3.2Å; I154-I221 PolarHBondContact N-O 2.83Å; I154-I221 PolarHBondContact O-N 3.13Å; I154-M266 HydrophobicContact CG2-CB 3.79Å; I154-M266 HydrophobicContact CG2-CG 4.45Å; I154-M266 HydrophobicContact CG2-SD 4.41Å; I154-K267 CarbonylContact C-O 3.47Å; I154-K267 WeakPolarHBondContact CA-O 3.34Å; I154-V268 HydrophobicContact CD1-CB 4.14Å; I154-V268 HydrophobicContact CD1-CG1 4.3Å; I154-V268 HydrophobicContact CD1-CG2 3.71Å
155	K	97.6	Very high	95.2	Very high	5 Å²	5	22.5 Å²	22.5	2%	0.022	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	133	172.9	-170.5	173	-175.7	174.6	0	110.5	C95 C97 E99 T157 I220 M266 K267 I269	C95-K155 PolarHBondContact O-NZ 2.73Å; C97-K155 PolarHBondContact O-NZ 3.14Å; E99-K155 HydrophobicContact CG-CD 4.43Å; K155-T157 HydrophobicContact CB-CG2 4.43Å; K155-T157 HydrophobicContact CG-CG2 4.31Å; K155-T157 PolarHBondContact O-N 3.2Å; K155-I220 HydrophobicContact CB-CG1 4.35Å; K155-I220 HydrophobicContact CG-CG1 4.18Å; K155-M266 CarbonylContact O-C 3.51Å; K155-M266 WeakPolarHBondContact O-CA 3.27Å; K155-K267 PolarHBondContact N-O 2.89Å; K155-K267 PolarHBondContact O-N 2.84Å; K155-I269 HydrophobicContact CB-CD1 4.2Å; K155-I269 HydrophobicContact CB-CG1 4.49Å; K155-I269 HydrophobicContact CB-CG2 3.69Å; K155-I269 HydrophobicContact CD-CG2 4.4Å
156	M	96.4	Very high	95.2	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	106.5	170	-56.2	-59.1	160.2	0	0	108.4	V160 M165 V167 F215 G216 G218 S219 I221 M266	M156-V160 HydrophobicContact CB-CG2 4Å; M156-V160 HydrophobicContact CG-CG2 4.16Å; M156-M165 HydrophobicContact SD-CE 4.47Å; M156-V167 HydrophobicContact CE-CG2 3.62Å; M156-F215 HydrophobicContact CE-CD2 3.88Å; M156-F215 HydrophobicContact CE-CE2 3.4Å; M156-F215 VanDerWaalsContact CE-CE2 3.4Å; M156-F215 HydrophobicContact CE-CZ 4.31Å; M156-F215 HydrophobicContact CG-CD2 4.25Å; M156-F215 HydrophobicContact SD-CE2 4.35Å; M156-G216 WeakPolarHBondContact CB-O 3.18Å; M156-G216 WeakPolarHBondContact CG-O 3.48Å; M156-G218 WeakPolarHBondContact O-CA 3.43Å; M156-G218 PolarHBondContact O-N 3.1Å; M156-S219 PolarHBondContact N-O 2.69Å; M156-I221 HydrophobicContact CE-CB 4.5Å; M156-I221 HydrophobicContact CE-CG1 3.73Å; M156-M266 HydrophobicContact CE-SD 4.47Å; M156-M266 HydrophobicContact SD-CE 4.1Å; M156-M266 HydrophobicContact SD-CG 3.88Å; M156-M266 HydrophobicContact SD-SD 4.16Å
157	T	94.6	Very high	95.5	Very high	28 Å²	28	20.3 Å²	20.3	17%	0.172	12%	0.121	C	C	.	.			trans	-96.1	1.7	-172.6	52.6	0	0	0	0	113.8	K125 K155 S265 K267	K125-T157 WeakPolarHBondContact CE-OG1 3.23Å; K155-T157 HydrophobicContact CB-CG2 4.43Å; K155-T157 HydrophobicContact CG-CG2 4.31Å; K155-T157 PolarHBondContact O-N 3.2Å; T157-S265 PolarHBondContact N-O 2.98Å; T157-S265 VanDerWaalsContact OG1-C 3.25Å; T157-S265 WeakPolarHBondContact OG1-CB 3.44Å; T157-S265 PolarHBondContact OG1-O 2.9Å; T157-S265 PolarHBondContact OG1-OG 2.88Å; T157-K267 HydrophobicContact CG2-CB 3.69Å
158	S	92.8	Very high	95.7	Very high	10 Å²	10	13.9 Å²	13.9	7%	0.07	9%	0.087	C	C	.	.	S	Bend	trans	-137.8	169.7	175.7	66.9	0	0	0	0	110.8	V160 Q217 S264 S265	S158-V160 PolarHBondContact O-N 3.18Å; S158-Q217 WeakPolarHBondContact O-CB 3.38Å; S158-S264 VanDerWaalsContact OG-CA 3.27Å; S158-S264 WeakPolarHBondContact OG-CA 3.45Å; S158-S265 PolarHBondContact OG-N 3.14Å
159	P	90.9	Very high	96	Very high	48 Å²	48	13.7 Å²	13.7	31%	0.312	8%	0.084	S	C	.	.			trans	-47.5	140.2	165.4	-31.9	39.1	0	0	0	112	P65 Y161 Q217	P65-P159 HydrophobicContact CB-CB 3.97Å; P65-P159 HydrophobicContact CG-CB 4.01Å; P65-P159 HydrophobicContact CG-CG 4.45Å; P159-Y161 HydrophobicContact CB-CD1 4.27Å; P159-Y161 HydrophobicContact CB-CE1 4.5Å; P159-Q217 VanDerWaalsContact CG-OE1 3.24Å; P159-Q217 VanDerWaalsContact N-OE1 3.1Å
160	V	89.1	Confident	96.1	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.084	C	C	.	.			trans	-109.7	121.7	180	-175.5	0	0	0	0	108.8	V66 M156 S158 M165 Y198 G216	V66-V160 PolarHBondContact N-O 2.88Å; M156-V160 HydrophobicContact CB-CG2 4Å; M156-V160 HydrophobicContact CG-CG2 4.16Å; S158-V160 PolarHBondContact O-N 3.18Å; V160-M165 HydrophobicContact CB-SD 4.03Å; V160-M165 HydrophobicContact CG1-CB 3.98Å; V160-M165 HydrophobicContact CG1-CE 4.31Å; V160-M165 HydrophobicContact CG1-CG 4.24Å; V160-M165 HydrophobicContact CG1-SD 3.58Å; V160-M165 VanDerWaalsContact CG1-SD 3.58Å; V160-M165 HydrophobicContact CG2-CE 4.12Å; V160-M165 HydrophobicContact CG2-SD 4.23Å; V160-Y198 HydrophobicContact CB-CD2 4.29Å; V160-Y198 VanDerWaalsContact CG1-CB 3.44Å; V160-Y198 HydrophobicContact CG1-CD1 4.3Å; V160-Y198 HydrophobicContact CG1-CD2 3.25Å; V160-Y198 HydrophobicContact CG1-CE2 4Å; V160-Y198 HydrophobicContact CG1-CG 3.39Å; V160-G216 VanDerWaalsContact CG2-C 3.47Å
161	Y	91.9	Very high	96.1	Very high	56 Å²	56	13.2 Å²	13.2	22%	0.22	8%	0.082	C	C	.	.			trans	-161.7	-163.8	-175.2	66.9	-81.9	0	0	0	109.8	A63 P159 A261 A262	A63-Y161 HydrophobicContact CB-CD2 3.69Å; A63-Y161 HydrophobicContact CB-CE2 4.39Å; A63-Y161 HydrophobicContact CB-CG 4.2Å; P159-Y161 HydrophobicContact CB-CD1 4.27Å; P159-Y161 HydrophobicContact CB-CE1 4.5Å; Y161-A261 HydrophobicContact CD1-CB 4.16Å; Y161-A261 HydrophobicContact CD2-CB 4.21Å; Y161-A261 HydrophobicContact CE1-CB 4.03Å; Y161-A261 HydrophobicContact CE2-CB 4.1Å; Y161-A261 HydrophobicContact CG-CB 4.26Å; Y161-A261 WeakPolarHBondContact O-CB 3.48Å; Y161-A262 PolarHBondContact OH-O 2.98Å
162	G	91.4	Very high	96.1	Very high	36 Å²	36	16.2 Å²	16.2	37%	0.371	10%	0.104	S	C	.	.	S	Bend	trans	84	-165.2	179.8	0	0	0	0	0	112.2	Y198	G162-Y198 PolarHBondContact O-OH 3.44Å
163	T	95.3	Very high	96	Very high	78 Å²	78	21.8 Å²	21.8	48%	0.479	13%	0.133	S	C	.	.	S	Bend	trans	-71.1	-45.3	177.4	-56.3	0	0	0	0	110.8	T260	T163-T260 PolarHBondContact N-OG1 3.27Å
164	D	96.8	Very high	95.9	Very high	3 Å²	3	21.9 Å²	21.9	2%	0.016	14%	0.135	C	C	.	.			trans	-158.9	152	176.2	-139	-24.3	0	0	0	113.8	M166 S185 S197 Y198 H203 T260	D164-M166 HydrophobicContact CB-CG 4.13Å; D164-M166 HydrophobicContact CB-SD 4.46Å; D164-M166 VanDerWaalsContact CG-CG 3.44Å; D164-M166 WeakPolarHBondContact OD1-CG 3.23Å; D164-S185 WeakPolarHBondContact OD2-CB 3.38Å; D164-S185 PolarHBondContact OD2-OG 2.89Å; D164-S197 VanDerWaalsContact CG-OG 3.26Å; D164-S197 VanDerWaalsContact OD1-CB 3.23Å; D164-S197 WeakPolarHBondContact OD1-CB 3.35Å; D164-S197 PolarHBondContact OD1-OG 3.14Å; D164-S197 PolarHBondContact OD2-OG 3.47Å; D164-Y198 WeakPolarHBondContact OD1-CD1 3.49Å; D164-H203 IonicContact OD2-CE1 3.38Å; D164-T260 PolarHBondContact N-OG1 3.11Å; D164-T260 PolarHBondContact O-N 3.48Å; D164-T260 PolarHBondContact O-OG1 3.12Å
165	M	98.1	Very high	95.8	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	122.8	167.3	-77.4	-176.8	65.6	0	0	106.2	M156 V160 Y198 C258 S259 A261 M266	M156-M165 HydrophobicContact SD-CE 4.47Å; V160-M165 HydrophobicContact CB-SD 4.03Å; V160-M165 HydrophobicContact CG1-CB 3.98Å; V160-M165 HydrophobicContact CG1-CE 4.31Å; V160-M165 HydrophobicContact CG1-CG 4.24Å; V160-M165 HydrophobicContact CG1-SD 3.58Å; V160-M165 VanDerWaalsContact CG1-SD 3.58Å; V160-M165 HydrophobicContact CG2-CE 4.12Å; V160-M165 HydrophobicContact CG2-SD 4.23Å; M165-Y198 HydrophobicContact CB-CD1 4.28Å; M165-Y198 HydrophobicContact CB-CG 4.48Å; M165-Y198 PolarHBondContact O-N 2.79Å; M165-C258 WeakPolarHBondContact CA-O 3.44Å; M165-S259 WeakPolarHBondContact CG-OG 3.49Å; M165-A261 HydrophobicContact CG-CB 4.24Å; M165-A261 HydrophobicContact SD-CB 3.89Å; M165-M266 HydrophobicContact CB-CE 3.77Å; M165-M266 HydrophobicContact CE-CE 3.44Å; M165-M266 VanDerWaalsContact CE-CE 3.44Å; M165-M266 HydrophobicContact CE-CG 4.32Å; M165-M266 HydrophobicContact CG-CE 4.18Å
166	M	98.6	Very high	95.7	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	149.4	-168	-45	-178.8	82.3	0	0	112.2	D164 L187 L196 H203 A257 C258	D164-M166 HydrophobicContact CB-CG 4.13Å; D164-M166 HydrophobicContact CB-SD 4.46Å; D164-M166 VanDerWaalsContact CG-CG 3.44Å; D164-M166 WeakPolarHBondContact OD1-CG 3.23Å; M166-L187 HydrophobicContact CB-CB 4.45Å; M166-L187 HydrophobicContact CB-CD1 4.1Å; M166-L187 HydrophobicContact CE-CB 4.37Å; M166-L187 VanDerWaalsContact CE-O 3.23Å; M166-L187 WeakPolarHBondContact CE-O 3.41Å; M166-L187 HydrophobicContact SD-CB 4.05Å; M166-L196 VanDerWaalsContact CA-O 3.29Å; M166-L196 WeakPolarHBondContact CA-O 3.32Å; M166-H203 HydrophobicContact CE-CB 4.01Å; M166-A257 VanDerWaalsContact O-CA 3.29Å; M166-A257 WeakPolarHBondContact O-CA 3.32Å; M166-C258 PolarHBondContact N-O 2.99Å; M166-C258 PolarHBondContact O-N 3.47Å
167	V	98.8	Very high	95.6	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	140.8	169.8	177.2	0	0	0	0	108.2	I154 M156 L196 I221 V223 M266	I154-V167 HydrophobicContact CB-CG1 4.33Å; I154-V167 HydrophobicContact CB-CG2 4.13Å; I154-V167 HydrophobicContact CG1-CG1 3.86Å; I154-V167 HydrophobicContact CG1-CG2 4.36Å; I154-V167 HydrophobicContact CG2-CG2 4.02Å; M156-V167 HydrophobicContact CE-CG2 3.62Å; V167-L196 PolarHBondContact N-O 3.15Å; V167-L196 VanDerWaalsContact N-O 3.16Å; V167-L196 PolarHBondContact O-N 3.2Å; V167-I221 HydrophobicContact CB-CG2 4.25Å; V167-I221 HydrophobicContact CG1-CG2 4.24Å; V167-V223 HydrophobicContact CG1-CG2 3.98Å; V167-M266 HydrophobicContact CG2-SD 4.24Å
168	G	98.6	Very high	95.7	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.4	-144.5	175.4	0	0	0	0	0	113.4	W194 M256	G168-W194 VanDerWaalsContact CA-O 3.3Å; G168-W194 WeakPolarHBondContact CA-O 3.47Å; G168-M256 PolarHBondContact N-O 2.8Å; G168-M256 PolarHBondContact O-N 3.02Å
169	I	98.8	Very high	95.9	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	157.5	-179.1	60.4	170	0	0	0	110.8	L145 W152 S193 W194 L225 L232 L248 F253 Y254	L145-I169 HydrophobicContact CD1-CG2 4.49Å; W152-I169 HydrophobicContact CH2-CG2 3.51Å; W152-I169 HydrophobicContact CZ2-CG2 3.65Å; I169-S193 CarbonylContact O-C 3.55Å; I169-S193 VanDerWaalsContact O-CA 3.27Å; I169-S193 WeakPolarHBondContact O-CA 3.49Å; I169-S193 WeakPolarHBondContact O-CB 3.16Å; I169-W194 HydrophobicContact CD1-CE3 4.24Å; I169-W194 HydrophobicContact CG1-CB 4.02Å; I169-W194 HydrophobicContact CG1-CE3 4.18Å; I169-W194 PolarHBondContact N-O 3.25Å; I169-W194 PolarHBondContact O-N 3.14Å; I169-L225 HydrophobicContact CD1-CD1 4.32Å; I169-L232 HydrophobicContact CD1-CD1 4.12Å; I169-L232 HydrophobicContact CD1-CD2 3.87Å; I169-L232 HydrophobicContact CD1-CG 4.47Å; I169-L232 HydrophobicContact CG1-CD1 4.47Å; I169-L232 HydrophobicContact CG1-CD2 3.97Å; I169-L232 HydrophobicContact CG2-CD1 4.2Å; I169-L248 HydrophobicContact CD1-CD1 4.1Å; I169-F253 HydrophobicContact CB-CB 4.43Å; I169-F253 HydrophobicContact CB-CD1 4.33Å; I169-F253 HydrophobicContact CD1-CB 4.46Å; I169-F253 HydrophobicContact CD1-CD1 3.76Å; I169-F253 HydrophobicContact CD1-CD2 4.29Å; I169-F253 HydrophobicContact CD1-CE1 4Å; I169-F253 HydrophobicContact CD1-CE2 4.49Å; I169-F253 HydrophobicContact CD1-CG 3.9Å; I169-F253 HydrophobicContact CD1-CZ 4.34Å; I169-F253 HydrophobicContact CG1-CD1 4.2Å; I169-Y254 CarbonylContact C-O 3.53Å; I169-Y254 VanDerWaalsContact CA-O 3.26Å; I169-Y254 WeakPolarHBondContact CA-O 3.21Å
170	G	98.3	Very high	96.1	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	167.4	166.6	0	0	0	0	0	112.9	D192 Y254 M256	G170-D192 CarbonylContact C-O 3.13Å; G170-D192 WeakPolarHBondContact CA-O 3.45Å; G170-Y254 PolarHBondContact N-O 2.86Å; G170-Y254 PolarHBondContact O-N 3.06Å; G170-M256 VanDerWaalsContact C-CE 3.49Å; G170-M256 WeakPolarHBondContact O-CE 3.5Å
171	T	97.9	Very high	96.5	Very high	6 Å²	6	43.6 Å²	43.6	4%	0.037	23%	0.225	C	C	.	.			trans	-81.1	176.1	178.4	75.3	0	0	0	0	111.6	R140 D173 V174 D192 K251 F253 M256	R140-T171 PolarHBondContact NH2-O 3.26Å; T171-D173 PolarHBondContact O-N 2.88Å; T171-D173 WeakPolarHBondContact OG1-CB 3.48Å; T171-D173 PolarHBondContact OG1-N 2.8Å; T171-D173 VanDerWaalsContact OG1-N 3.15Å; T171-D173 PolarHBondContact OG1-OD2 3.07Å; T171-D173 VanDerWaalsContact OG1-OD2 3.1Å; T171-V174 PolarHBondContact O-N 2.59Å; T171-D192 HydrophobicContact CG2-CB 4.34Å; T171-D192 PolarHBondContact N-O 2.79Å; T171-K251 HydrophobicContact CG2-CD 4.17Å; T171-F253 HydrophobicContact CG2-CD1 4.25Å; T171-F253 HydrophobicContact CG2-CE1 4.01Å; T171-M256 WeakPolarHBondContact O-CE 3.3Å
172	S	96.9	Very high	96.7	Very high	66 Å²	66	44.3 Å²	44.3	46%	0.462	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-24.5	169.8	47.7	0	0	0	0	113.3	R140 V174	R140-S172 PolarHBondContact NH2-O 3.36Å; S172-V174 VanDerWaalsContact C-N 3.31Å; S172-V174 PolarHBondContact O-N 3.48Å
173	D	96.3	Very high	97	Very high	117 Å²	117	47.6 Å²	47.6	63%	0.626	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-15.6	-172.4	-48.2	-46.2	0	0	0	113	T171 N175	T171-D173 PolarHBondContact O-N 2.88Å; T171-D173 WeakPolarHBondContact OG1-CB 3.48Å; T171-D173 PolarHBondContact OG1-N 2.8Å; T171-D173 VanDerWaalsContact OG1-N 3.15Å; T171-D173 PolarHBondContact OG1-OD2 3.07Å; T171-D173 VanDerWaalsContact OG1-OD2 3.1Å; D173-N175 PolarHBondContact O-N 2.81Å; D173-N175 VanDerWaalsContact O-N 3.12Å
174	V	97	Very high	97.1	Very high	7 Å²	7	44.6 Å²	44.6	4%	0.042	22%	0.222	C	C	.	.			trans	-62.8	115.6	175.3	-179.1	0	0	0	0	109.7	R140 T171 S172 L176 L186 D192 M256	R140-V174 PolarHBondContact NH2-O 3.26Å; T171-V174 PolarHBondContact O-N 2.59Å; S172-V174 VanDerWaalsContact C-N 3.31Å; S172-V174 PolarHBondContact O-N 3.48Å; V174-L176 HydrophobicContact CG1-CD2 4.23Å; V174-L176 PolarHBondContact O-N 2.91Å; V174-L186 HydrophobicContact CG1-CD2 4.02Å; V174-D192 HydrophobicContact CG2-CB 4.07Å; V174-D192 WeakPolarHBondContact CG2-O 3.33Å; V174-M256 HydrophobicContact CB-CE 3.97Å; V174-M256 HydrophobicContact CB-SD 4.27Å; V174-M256 HydrophobicContact CG1-CE 4.48Å; V174-M256 HydrophobicContact CG1-SD 4.21Å; V174-M256 HydrophobicContact CG2-CE 4.12Å; V174-M256 HydrophobicContact CG2-SD 4.3Å
175	N	95.8	Very high	97.2	Very high	96 Å²	96	45.5 Å²	45.5	51%	0.513	23%	0.229	S	C	.	.			trans	-81	103.5	174.3	-177	-19.9	0	0	0	110.5	D173 D177 K178	D173-N175 PolarHBondContact O-N 2.81Å; D173-N175 VanDerWaalsContact O-N 3.12Å; N175-D177 VanDerWaalsContact C-N 3.27Å; N175-D177 PolarHBondContact O-N 2.86Å; N175-D177 PolarHBondContact OD1-N 2.97Å; N175-K178 HydrophobicContact CB-CB 4.07Å; N175-K178 WeakPolarHBondContact O-CB 3.29Å; N175-K178 PolarHBondContact O-N 3.46Å; N175-K178 PolarHBondContact OD1-N 3.02Å
176	L	96.4	Very high	97.2	Very high	14 Å²	14	45.7 Å²	45.7	7%	0.073	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-27.1	-175.4	-55.5	176.4	0	0	0	113.4	S112 S114 A138 R140 V174 M256	S112-L176 WeakPolarHBondContact O-CD1 3.29Å; S114-L176 PolarHBondContact OG-O 2.91Å; A138-L176 HydrophobicContact CB-CB 4.23Å; A138-L176 HydrophobicContact CB-CD2 3.89Å; R140-L176 HydrophobicContact CB-CD1 4.07Å; V174-L176 HydrophobicContact CG1-CD2 4.23Å; V174-L176 PolarHBondContact O-N 2.91Å; L176-M256 HydrophobicContact CD2-SD 4.42Å
177	D	94.5	Very high	97.2	Very high	35 Å²	35	45.7 Å²	45.7	19%	0.187	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	4.6	-176.8	-87.9	-35.8	0	0	0	114.3	S114 T115 N175 Y179 R180	S114-D177 WeakPolarHBondContact CA-OD1 3.22Å; S114-D177 WeakPolarHBondContact CB-OD1 3.32Å; S114-D177 PolarHBondContact OG-OD1 2.68Å; S114-D177 VanDerWaalsContact OG-OD1 3.09Å; T115-D177 PolarHBondContact N-OD1 2.85Å; N175-D177 VanDerWaalsContact C-N 3.27Å; N175-D177 PolarHBondContact O-N 2.86Å; N175-D177 PolarHBondContact OD1-N 2.97Å; D177-Y179 PolarHBondContact O-N 3.08Å; D177-R180 PolarHBondContact O-N 2.82Å; D177-R180 PolarHBondContact O-NE 2.8Å; D177-R180 PolarHBondContact O-NH2 2.99Å
178	K	95.7	Very high	97.1	Very high	120 Å²	120	45.7 Å²	45.7	52%	0.522	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-36.3	-178	-177.8	173.9	177.7	178.5	0	112.9	N175	N175-K178 HydrophobicContact CB-CB 4.07Å; N175-K178 WeakPolarHBondContact O-CB 3.29Å; N175-K178 PolarHBondContact O-N 3.46Å; N175-K178 PolarHBondContact OD1-N 3.02Å
179	Y	96.4	Very high	97	Very high	30 Å²	30	49.5 Å²	49.5	12%	0.118	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.8	28.1	-173.7	-56.4	-67.8	0	0	0	113.1	T136 D177 H181 T182 L186 K189	T136-Y179 PolarHBondContact N-O 2.85Å; D177-Y179 PolarHBondContact O-N 3.08Å; Y179-H181 PolarHBondContact O-N 3.47Å; Y179-T182 PolarHBondContact O-N 2.8Å; Y179-L186 HydrophobicContact CD2-CB 4.36Å; Y179-L186 HydrophobicContact CD2-CD1 3.91Å; Y179-L186 HydrophobicContact CD2-CG 3.94Å; Y179-L186 HydrophobicContact CE2-CG 4.31Å; Y179-K189 HydrophobicContact CE1-CD 4.37Å; Y179-K189 HydrophobicContact CE2-CD 3.91Å; Y179-K189 WeakPolarHBondContact OH-CD 3.31Å; Y179-K189 VanDerWaalsContact OH-CE 3.24Å; Y179-K189 WeakPolarHBondContact OH-CE 3.49Å
180	R	95.9	Very high	96.9	Very high	115 Å²	115	52 Å²	52	43%	0.434	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-23.7	-178.5	78.7	-178.5	79.5	88.4	1	114.7	C134 D177	C134-R180 CarbonylContact C-O 3.54Å; C134-R180 PolarHBondContact SG-O 3.06Å; C134-R180 VanDerWaalsContact SG-O 3.37Å; D177-R180 PolarHBondContact O-N 2.82Å; D177-R180 PolarHBondContact O-NE 2.8Å; D177-R180 PolarHBondContact O-NH2 2.99Å
181	H	96.8	Very high	96.8	Very high	136 Å²	136	53.8 Å²	53.8	63%	0.63	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.2	21.8	178	-57.6	-47.9	0	0	0	112.7	C134 Y179	C134-H181 CarbonylContact O-C 3.54Å; C134-H181 WeakPolarHBondContact O-CA 3.36Å; Y179-H181 PolarHBondContact O-N 3.47Å
182	T	97.4	Very high	96.7	Very high	72 Å²	72	55.8 Å²	55.8	44%	0.442	29%	0.285	S	S	.	.	S	Bend	trans	-143.3	126.8	-177.5	-52.9	0	0	0	0	110.1	G135 T136 Y179 C184	G135-T182 CarbonylContact C-O 3.58Å; T136-T182 PolarHBondContact N-O 3.49Å; T136-T182 PolarHBondContact OG1-O 2.93Å; Y179-T182 PolarHBondContact O-N 2.8Å; T182-C184 PolarHBondContact O-N 3.47Å
183	F	97.6	Very high	96.8	Very high	104 Å²	104	52.6 Å²	52.6	46%	0.456	26%	0.263	S	S	.	.			trans	-80.4	114.7	176.6	-56.9	-74.9	0	0	0	110.2	S133 G135 T260	S133-F183 WeakPolarHBondContact OG-CE1 3.48Å; G135-F183 WeakPolarHBondContact O-CD1 3.38Å; F183-T260 HydrophobicContact CD1-CG2 4.45Å
184	C	96.9	Very high	96.9	Very high	15 Å²	15	48 Å²	48	10%	0.101	24%	0.236	C	C	.	.	S	Bend	trans	-157.9	162.2	175.1	69.2	0	0	0	0	112.8	T136 T182 L186 K189	T136-C184 WeakPolarHBondContact CG2-O 3.39Å; T136-C184 PolarHBondContact OG1-N 3.36Å; T136-C184 PolarHBondContact OG1-O 3Å; T182-C184 PolarHBondContact O-N 3.47Å; C184-L186 PolarHBondContact O-N 3.25Å; C184-L186 VanDerWaalsContact O-N 3.14Å; C184-K189 PolarHBondContact SG-NZ 3.44Å; C184-K189 VanDerWaalsContact SG-NZ 3.42Å
185	S	97.7	Very high	97	Very high	23 Å²	23	47.6 Å²	47.6	16%	0.161	23%	0.234	C	C	.	.			trans	-69.8	101.1	164.2	-48.4	0	0	0	0	109	D164 H203	D164-S185 WeakPolarHBondContact OD2-CB 3.38Å; D164-S185 PolarHBondContact OD2-OG 2.89Å; S185-H203 VanDerWaalsContact CB-CE1 3.48Å; S185-H203 WeakPolarHBondContact CB-CE1 3.14Å; S185-H203 VanDerWaalsContact CB-ND1 3.35Å; S185-H203 WeakPolarHBondContact CB-ND1 3.29Å; S185-H203 PolarHBondContact OG-CE1 3.36Å; S185-H203 VanDerWaalsContact OG-CE1 3.31Å
186	L	98.2	Very high	97.1	Very high	4 Å²	4	43 Å²	43	2%	0.021	21%	0.21	C	C	.	.			trans	-75.3	-50.1	-174.7	-177.9	159	0	0	0	111.6	T136 A138 V174 Y179 C184 G188 K189 C258	T136-L186 HydrophobicContact CG2-CB 3.82Å; T136-L186 HydrophobicContact CG2-CD1 4.2Å; A138-L186 HydrophobicContact CB-CD1 3.95Å; A138-L186 HydrophobicContact CB-CD2 4.38Å; V174-L186 HydrophobicContact CG1-CD2 4.02Å; Y179-L186 HydrophobicContact CD2-CB 4.36Å; Y179-L186 HydrophobicContact CD2-CD1 3.91Å; Y179-L186 HydrophobicContact CD2-CG 3.94Å; Y179-L186 HydrophobicContact CE2-CG 4.31Å; C184-L186 PolarHBondContact O-N 3.25Å; C184-L186 VanDerWaalsContact O-N 3.14Å; L186-G188 PolarHBondContact O-N 3.47Å; L186-K189 VanDerWaalsContact O-CB 3.25Å; L186-K189 WeakPolarHBondContact O-CB 3.38Å; L186-K189 PolarHBondContact O-N 3.07Å; L186-C258 HydrophobicContact CB-CB 4.34Å
187	L	98.4	Very high	97.2	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	129.4	-178.8	-61	-179.2	0	0	0	110.2	M166 K189 H203 M256 C258	M166-L187 HydrophobicContact CB-CB 4.45Å; M166-L187 HydrophobicContact CB-CD1 4.1Å; M166-L187 HydrophobicContact CE-CB 4.37Å; M166-L187 VanDerWaalsContact CE-O 3.23Å; M166-L187 WeakPolarHBondContact CE-O 3.41Å; M166-L187 HydrophobicContact SD-CB 4.05Å; L187-K189 VanDerWaalsContact C-N 3.31Å; L187-H203 WeakPolarHBondContact O-CB 3.48Å; L187-M256 HydrophobicContact CD1-CB 4.05Å; L187-M256 HydrophobicContact CD2-CB 3.8Å; L187-M256 HydrophobicContact CD2-CG 4.49Å; L187-M256 HydrophobicContact CD2-SD 3.85Å; L187-C258 HydrophobicContact CG-CB 4.44Å
188	G	97.6	Very high	97.3	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.3	4.2	-176.6	0	0	0	0	0	114.9	L186 D190 S193 H203 H204 K205 G206	L186-G188 PolarHBondContact O-N 3.47Å; G188-D190 VanDerWaalsContact C-N 3.26Å; G188-D190 PolarHBondContact O-N 2.98Å; G188-S193 WeakPolarHBondContact CA-O 3.5Å; G188-S193 PolarHBondContact N-OG 2.96Å; G188-H203 VanDerWaalsContact CA-O 3.32Å; G188-H203 WeakPolarHBondContact CA-O 3.29Å; G188-H204 CarbonylContact O-C 3.58Å; G188-H204 WeakPolarHBondContact O-CA 3.28Å; G188-H204 PolarHBondContact O-N 3.14Å; G188-K205 PolarHBondContact O-N 3.38Å; G188-G206 PolarHBondContact O-N 2.96Å
189	K	97.1	Very high	97.4	Very high	80 Å²	80	37.6 Å²	37.6	35%	0.348	19%	0.187	S	C	.	.	S	Bend	trans	-70.1	-26	174.6	-169.7	160.8	177.8	176.9	0	112.7	Y179 C184 L186 L187	Y179-K189 HydrophobicContact CE1-CD 4.37Å; Y179-K189 HydrophobicContact CE2-CD 3.91Å; Y179-K189 WeakPolarHBondContact OH-CD 3.31Å; Y179-K189 VanDerWaalsContact OH-CE 3.24Å; Y179-K189 WeakPolarHBondContact OH-CE 3.49Å; C184-K189 PolarHBondContact SG-NZ 3.44Å; C184-K189 VanDerWaalsContact SG-NZ 3.42Å; L186-K189 VanDerWaalsContact O-CB 3.25Å; L186-K189 WeakPolarHBondContact O-CB 3.38Å; L186-K189 PolarHBondContact O-N 3.07Å; L187-K189 VanDerWaalsContact C-N 3.31Å
190	D	95.6	Very high	97.4	Very high	52 Å²	52	36.2 Å²	36.2	28%	0.278	18%	0.182	S	C	.	.	S	Bend	trans	-126.3	-173.7	176.8	55.7	35.1	0	0	0	111.3	G188 D192 S193 K205	G188-D190 VanDerWaalsContact C-N 3.26Å; G188-D190 PolarHBondContact O-N 2.98Å; D190-D192 VanDerWaalsContact C-N 3.27Å; D190-D192 PolarHBondContact OD1-N 2.83Å; D190-D192 VanDerWaalsContact OD1-N 3.08Å; D190-S193 PolarHBondContact OD1-N 3.44Å; D190-S193 PolarHBondContact OD1-OG 2.82Å; D190-S193 VanDerWaalsContact OD1-OG 3.06Å; D190-K205 PolarHBondContact O-N 2.86Å
191	A	95.9	Very high	97.5	Very high	38 Å²	38	33.2 Å²	33.2	31%	0.314	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-3.7	-179	0	0	0	0	0	113.8	K205 K251	A191-K205 HydrophobicContact CB-CD 4.49Å; A191-K205 HydrophobicContact CB-CG 3.86Å; A191-K251 PolarHBondContact O-NZ 2.79Å
192	D	97.1	Very high	97.6	Very high	47 Å²	47	27.3 Å²	27.3	25%	0.251	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.9	2.8	-172.1	-65	-39	0	0	0	112.5	G170 T171 V174 D190 K251	G170-D192 CarbonylContact C-O 3.13Å; G170-D192 WeakPolarHBondContact CA-O 3.45Å; T171-D192 HydrophobicContact CG2-CB 4.34Å; T171-D192 PolarHBondContact N-O 2.79Å; V174-D192 HydrophobicContact CG2-CB 4.07Å; V174-D192 WeakPolarHBondContact CG2-O 3.33Å; D190-D192 VanDerWaalsContact C-N 3.27Å; D190-D192 PolarHBondContact OD1-N 2.83Å; D190-D192 VanDerWaalsContact OD1-N 3.08Å; D192-K251 IonicContact OD1-NZ 3.28Å; D192-K251 PolarHBondContact OD1-NZ 2.87Å
193	S	98.2	Very high	97.6	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	157.5	175.8	56.1	0	0	0	0	112.8	I169 G188 D190 H204	I169-S193 CarbonylContact O-C 3.55Å; I169-S193 VanDerWaalsContact O-CA 3.27Å; I169-S193 WeakPolarHBondContact O-CA 3.49Å; I169-S193 WeakPolarHBondContact O-CB 3.16Å; G188-S193 WeakPolarHBondContact CA-O 3.5Å; G188-S193 PolarHBondContact N-OG 2.96Å; D190-S193 PolarHBondContact OD1-N 3.44Å; D190-S193 PolarHBondContact OD1-OG 2.82Å; D190-S193 VanDerWaalsContact OD1-OG 3.06Å; S193-H204 PolarHBondContact O-ND1 2.9Å
194	W	98.6	Very high	97.7	Very high	19 Å²	19	21 Å²	21	7%	0.072	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	132.8	172.1	-72.3	-105.6	0	0	0	107	G168 I169 H203 H204 L232 L248 K251 F253	G168-W194 VanDerWaalsContact CA-O 3.3Å; G168-W194 WeakPolarHBondContact CA-O 3.47Å; I169-W194 HydrophobicContact CD1-CE3 4.24Å; I169-W194 HydrophobicContact CG1-CB 4.02Å; I169-W194 HydrophobicContact CG1-CE3 4.18Å; I169-W194 PolarHBondContact N-O 3.25Å; I169-W194 PolarHBondContact O-N 3.14Å; W194-H203 WeakPolarHBondContact CA-O 3.39Å; W194-H204 AromaticContact CD1-CG 3.63Å; W194-H204 AromaticContact CD1-ND1 3.72Å; W194-H204 AromaticContact CD2-CE1 3.78Å; W194-H204 AromaticContact CD2-ND1 3.5Å; W194-H204 AromaticContact CE2-CD2 3.91Å; W194-H204 AromaticContact CE2-CE1 3.15Å; W194-H204 AromaticContact CE2-CG 3.69Å; W194-H204 AromaticContact CE2-ND1 3.22Å; W194-H204 AromaticContact CE2-NE2 3.6Å; W194-H204 HydrophobicContact CG-CB 4.35Å; W194-H204 AromaticContact CG-ND1 3.84Å; W194-H204 AromaticContact CH2-CE1 3.41Å; W194-H204 VanDerWaalsContact CH2-CE1 3.41Å; W194-H204 WeakPolarHBondContact CH2-CE1 3.22Å; W194-H204 AromaticContact CZ2-CE1 3Å; W194-H204 WeakPolarHBondContact CZ2-CE1 3.19Å; W194-H204 AromaticContact CZ2-ND1 3.61Å; W194-H204 AromaticContact CZ2-NE2 3.34Å; W194-H204 VanDerWaalsContact CZ2-NE2 3.34Å; W194-H204 WeakPolarHBondContact CZ2-NE2 3.3Å; W194-H204 AromaticContact CZ3-CE1 3.93Å; W194-H204 AromaticContact NE1-CD2 3.54Å; W194-H204 AromaticContact NE1-CE1 3.59Å; W194-H204 AromaticContact NE1-CG 3.3Å; W194-H204 VanDerWaalsContact NE1-CG 3.3Å; W194-H204 AromaticContact NE1-ND1 3.36Å; W194-H204 PolarHBondContact NE1-ND1 2.93Å; W194-H204 AromaticContact NE1-NE2 3.71Å; W194-L232 HydrophobicContact CB-CD2 3.9Å; W194-L232 HydrophobicContact CG-CD2 4.25Å; W194-L248 HydrophobicContact CD2-CD2 4.28Å; W194-L248 HydrophobicContact CE3-CD2 4.49Å; W194-L248 HydrophobicContact CH2-CD2 3.66Å; W194-L248 HydrophobicContact CZ2-CD2 3.3Å; W194-L248 HydrophobicContact CZ3-CD2 4.27Å; W194-K251 HydrophobicContact CH2-CD 4.41Å; W194-F253 AromaticContact CE3-CE1 3.93Å; W194-F253 HydrophobicContact CE3-CE1 3.93Å; W194-F253 HydrophobicContact CE3-CZ 4.43Å; W194-F253 HydrophobicContact CH2-CE1 4.2Å; W194-F253 HydrophobicContact CH2-CZ 4.08Å; W194-F253 AromaticContact CZ3-CE1 3.44Å; W194-F253 HydrophobicContact CZ3-CE1 3.44Å; W194-F253 VanDerWaalsContact CZ3-CE1 3.44Å; W194-F253 AromaticContact CZ3-CZ 3.77Å; W194-F253 HydrophobicContact CZ3-CZ 3.77Å
195	G	98.6	Very high	97.7	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	130.4	-175.8	0	0	0	0	0	112.6	H203	G195-H203 PolarHBondContact N-O 2.97Å; G195-H203 VanDerWaalsContact N-O 3.08Å; G195-H203 PolarHBondContact O-N 2.96Å
196	L	98.8	Very high	97.6	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	113.1	166.7	-178	66.2	0	0	0	109	M166 V167 F211 F215 I221 F234 I241	M166-L196 VanDerWaalsContact CA-O 3.29Å; M166-L196 WeakPolarHBondContact CA-O 3.32Å; V167-L196 PolarHBondContact N-O 3.15Å; V167-L196 VanDerWaalsContact N-O 3.16Å; V167-L196 PolarHBondContact O-N 3.2Å; L196-F211 HydrophobicContact CD1-CB 4.37Å; L196-F211 HydrophobicContact CD1-CD1 3.99Å; L196-F215 HydrophobicContact CD2-CE1 3.99Å; L196-F215 HydrophobicContact CG-CE1 3.94Å; L196-F215 HydrophobicContact CG-CZ 4.46Å; L196-I221 HydrophobicContact CD2-CG2 4.24Å; L196-F234 HydrophobicContact CB-CD1 4.03Å; L196-F234 HydrophobicContact CB-CE1 3.65Å; L196-F234 HydrophobicContact CB-CE2 4.41Å; L196-F234 HydrophobicContact CB-CZ 3.86Å; L196-F234 HydrophobicContact CD2-CB 4.25Å; L196-F234 HydrophobicContact CD2-CD1 3.69Å; L196-F234 HydrophobicContact CD2-CE1 4.2Å; L196-F234 HydrophobicContact CD2-CG 4.02Å; L196-F234 HydrophobicContact CG-CD1 4.5Å; L196-I241 HydrophobicContact CD2-CD1 3.99Å
197	S	98.3	Very high	97.6	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	147	175.5	172.7	0	0	0	0	111.5	D164 T199 G200 L201 F215	D164-S197 VanDerWaalsContact CG-OG 3.26Å; D164-S197 VanDerWaalsContact OD1-CB 3.23Å; D164-S197 WeakPolarHBondContact OD1-CB 3.35Å; D164-S197 PolarHBondContact OD1-OG 3.14Å; D164-S197 PolarHBondContact OD2-OG 3.47Å; S197-T199 WeakPolarHBondContact CB-OG1 3.16Å; S197-T199 PolarHBondContact O-N 3.35Å; S197-T199 PolarHBondContact OG-N 2.96Å; S197-T199 VanDerWaalsContact OG-N 3.12Å; S197-T199 PolarHBondContact OG-OG1 3.22Å; S197-G200 PolarHBondContact O-N 3.25Å; S197-L201 WeakPolarHBondContact CB-O 3.36Å; S197-L201 PolarHBondContact N-O 2.99Å; S197-F215 VanDerWaalsContact C-CZ 3.49Å; S197-F215 WeakPolarHBondContact O-CE1 3.24Å
198	Y	97.2	Very high	97.5	Very high	16 Å²	16	39.8 Å²	39.8	6%	0.063	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-18.4	170	87.6	-72.4	0	0	0	114.8	V66 V160 G162 D164 M165 G200 R214 F215	V66-Y198 HydrophobicContact CB-CE2 4.4Å; V66-Y198 HydrophobicContact CG2-CE2 3.78Å; V160-Y198 HydrophobicContact CB-CD2 4.29Å; V160-Y198 VanDerWaalsContact CG1-CB 3.44Å; V160-Y198 HydrophobicContact CG1-CD1 4.3Å; V160-Y198 HydrophobicContact CG1-CD2 3.25Å; V160-Y198 HydrophobicContact CG1-CE2 4Å; V160-Y198 HydrophobicContact CG1-CG 3.39Å; G162-Y198 PolarHBondContact O-OH 3.44Å; D164-Y198 WeakPolarHBondContact OD1-CD1 3.49Å; M165-Y198 HydrophobicContact CB-CD1 4.28Å; M165-Y198 HydrophobicContact CB-CG 4.48Å; M165-Y198 PolarHBondContact O-N 2.79Å; Y198-G200 PolarHBondContact O-N 2.87Å; Y198-R214 VanDerWaalsContact CZ-NH2 3.28Å; Y198-R214 VanDerWaalsContact O-CA 3.27Å; Y198-R214 WeakPolarHBondContact O-CA 3.35Å; Y198-R214 WeakPolarHBondContact O-CB 3.43Å; Y198-R214 PolarHBondContact OH-NH2 3.03Å; Y198-F215 VanDerWaalsContact N-CZ 3.32Å; Y198-F215 PolarHBondContact O-N 3Å; Y198-F215 VanDerWaalsContact O-N 3.15Å
199	T	96.4	Very high	97.5	Very high	39 Å²	39	44.9 Å²	44.9	24%	0.239	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-9.9	172	63.5	0	0	0	0	113.2	S197 L201	S197-T199 WeakPolarHBondContact CB-OG1 3.16Å; S197-T199 PolarHBondContact O-N 3.35Å; S197-T199 PolarHBondContact OG-N 2.96Å; S197-T199 VanDerWaalsContact OG-N 3.12Å; S197-T199 PolarHBondContact OG-OG1 3.22Å; T199-L201 WeakPolarHBondContact OG1-CG 3.4Å
200	G	96.8	Very high	97.6	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.01	26%	0.257	C	S	.	.	S	Bend	trans	88.6	6.7	-175.1	0	0	0	0	0	114.1	S197 Y198 F211 S212	S197-G200 PolarHBondContact O-N 3.25Å; Y198-G200 PolarHBondContact O-N 2.87Å; G200-F211 PolarHBondContact O-N 3.3Å; G200-S212 VanDerWaalsContact CA-O 3.28Å; G200-S212 WeakPolarHBondContact CA-O 3.3Å; G200-S212 PolarHBondContact O-N 2.76Å
201	L	98.3	Very high	97.7	Very high	52 Å²	52	48.9 Å²	48.9	27%	0.272	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	133.2	176.5	-59.8	178.2	0	0	0	111.1	S197 T199 H203 K208 L209 K210	S197-L201 WeakPolarHBondContact CB-O 3.36Å; S197-L201 PolarHBondContact N-O 2.99Å; T199-L201 WeakPolarHBondContact OG1-CG 3.4Å; L201-H203 WeakPolarHBondContact CB-NE2 3.42Å; L201-K208 HydrophobicContact CD1-CB 4.49Å; L201-K208 HydrophobicContact CD1-CD 4.35Å; L201-L209 CarbonylContact C-O 3.45Å; L201-L209 WeakPolarHBondContact CA-O 3.23Å; L201-K210 HydrophobicContact CD2-CB 4.32Å
202	L	98.6	Very high	97.7	Very high	11 Å²	11	47.9 Å²	47.9	6%	0.058	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	129.5	167.2	177.9	72.5	0	0	0	109.3	K208 L209 F211 F234 A244	L202-K208 WeakPolarHBondContact O-CA 3.5Å; L202-L209 PolarHBondContact N-O 3.4Å; L202-L209 PolarHBondContact O-N 2.88Å; L202-F211 HydrophobicContact CB-CB 3.67Å; L202-F211 HydrophobicContact CB-CD2 4.28Å; L202-F211 HydrophobicContact CB-CG 3.95Å; L202-F211 HydrophobicContact CD2-CD2 3.98Å; L202-F211 HydrophobicContact CD2-CE2 4.28Å; L202-F211 HydrophobicContact CD2-CG 4.39Å; L202-F234 HydrophobicContact CD1-CE2 3.98Å; L202-A244 HydrophobicContact CD1-CB 3.76Å; L202-A244 HydrophobicContact CD2-CB 3.49Å; L202-A244 VanDerWaalsContact CD2-CB 3.49Å; L202-A244 VanDerWaalsContact CD2-O 3.32Å; L202-A244 WeakPolarHBondContact CD2-O 3.13Å; L202-A244 HydrophobicContact CG-CB 4.28Å
203	H	98.6	Very high	97.6	Very high	7 Å²	7	48.9 Å²	48.9	3%	0.032	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	137.3	-178.1	-66.5	-166.6	0	0	0	111.2	D164 M166 S185 L187 G188 W194 G195 L201 D207	D164-H203 IonicContact OD2-CE1 3.38Å; M166-H203 HydrophobicContact CE-CB 4.01Å; S185-H203 VanDerWaalsContact CB-CE1 3.48Å; S185-H203 WeakPolarHBondContact CB-CE1 3.14Å; S185-H203 VanDerWaalsContact CB-ND1 3.35Å; S185-H203 WeakPolarHBondContact CB-ND1 3.29Å; S185-H203 PolarHBondContact OG-CE1 3.36Å; S185-H203 VanDerWaalsContact OG-CE1 3.31Å; L187-H203 WeakPolarHBondContact O-CB 3.48Å; G188-H203 VanDerWaalsContact CA-O 3.32Å; G188-H203 WeakPolarHBondContact CA-O 3.29Å; W194-H203 WeakPolarHBondContact CA-O 3.39Å; G195-H203 PolarHBondContact N-O 2.97Å; G195-H203 VanDerWaalsContact N-O 3.08Å; G195-H203 PolarHBondContact O-N 2.96Å; L201-H203 WeakPolarHBondContact CB-NE2 3.42Å; H203-D207 VanDerWaalsContact CA-O 3.3Å; H203-D207 WeakPolarHBondContact CA-O 3.27Å
204	H	98.2	Very high	97.4	Very high	37 Å²	37	53.8 Å²	53.8	17%	0.171	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.8	139	169.7	-179.8	56.7	0	0	0	110.4	G188 S193 W194 G206 D207	G188-H204 CarbonylContact O-C 3.58Å; G188-H204 WeakPolarHBondContact O-CA 3.28Å; G188-H204 PolarHBondContact O-N 3.14Å; S193-H204 PolarHBondContact O-ND1 2.9Å; W194-H204 AromaticContact CD1-CG 3.63Å; W194-H204 AromaticContact CD1-ND1 3.72Å; W194-H204 AromaticContact CD2-CE1 3.78Å; W194-H204 AromaticContact CD2-ND1 3.5Å; W194-H204 AromaticContact CE2-CD2 3.91Å; W194-H204 AromaticContact CE2-CE1 3.15Å; W194-H204 AromaticContact CE2-CG 3.69Å; W194-H204 AromaticContact CE2-ND1 3.22Å; W194-H204 AromaticContact CE2-NE2 3.6Å; W194-H204 HydrophobicContact CG-CB 4.35Å; W194-H204 AromaticContact CG-ND1 3.84Å; W194-H204 AromaticContact CH2-CE1 3.41Å; W194-H204 VanDerWaalsContact CH2-CE1 3.41Å; W194-H204 WeakPolarHBondContact CH2-CE1 3.22Å; W194-H204 AromaticContact CZ2-CE1 3Å; W194-H204 WeakPolarHBondContact CZ2-CE1 3.19Å; W194-H204 AromaticContact CZ2-ND1 3.61Å; W194-H204 AromaticContact CZ2-NE2 3.34Å; W194-H204 VanDerWaalsContact CZ2-NE2 3.34Å; W194-H204 WeakPolarHBondContact CZ2-NE2 3.3Å; W194-H204 AromaticContact CZ3-CE1 3.93Å; W194-H204 AromaticContact NE1-CD2 3.54Å; W194-H204 AromaticContact NE1-CE1 3.59Å; W194-H204 AromaticContact NE1-CG 3.3Å; W194-H204 VanDerWaalsContact NE1-CG 3.3Å; W194-H204 AromaticContact NE1-ND1 3.36Å; W194-H204 PolarHBondContact NE1-ND1 2.93Å; W194-H204 AromaticContact NE1-NE2 3.71Å; H204-G206 PolarHBondContact O-N 3.2Å; H204-D207 PolarHBondContact N-O 3.12Å; H204-D207 WeakPolarHBondContact O-CB 3.41Å; H204-D207 PolarHBondContact O-N 3.36Å
205	K	97.1	Very high	97.2	Very high	130 Å²	130	52.9 Å²	52.9	57%	0.565	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	25.6	-178.7	-69.8	169.1	178.9	170.6	0	114.4	G188 D190 A191 D207	G188-K205 PolarHBondContact O-N 3.38Å; D190-K205 PolarHBondContact O-N 2.86Å; A191-K205 HydrophobicContact CB-CD 4.49Å; A191-K205 HydrophobicContact CB-CG 3.86Å; K205-D207 PolarHBondContact O-N 3.16Å
206	G	96.5	Very high	97	Very high	46 Å²	46	52.9 Å²	52.9	47%	0.474	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.3	-12.6	-175	0	0	0	0	0	114.6	G188 H204	G188-G206 PolarHBondContact O-N 2.96Å; H204-G206 PolarHBondContact O-N 3.2Å
207	D	97.3	Very high	96.7	Very high	122 Å²	122	55.1 Å²	55.1	65%	0.652	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74	150.9	174.9	-63.6	-33.8	0	0	0	111	H203 H204 K205	H203-D207 VanDerWaalsContact CA-O 3.3Å; H203-D207 WeakPolarHBondContact CA-O 3.27Å; H204-D207 PolarHBondContact N-O 3.12Å; H204-D207 WeakPolarHBondContact O-CB 3.41Å; H204-D207 PolarHBondContact O-N 3.36Å; K205-D207 PolarHBondContact O-N 3.16Å
208	K	97.6	Very high	96.5	Very high	138 Å²	138	55.5 Å²	55.5	60%	0.6	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.8	123.5	-179.7	-54.2	-177	-175.8	176.1	0	110.2	L201 L202	L201-K208 HydrophobicContact CD1-CB 4.49Å; L201-K208 HydrophobicContact CD1-CD 4.35Å; L202-K208 WeakPolarHBondContact O-CA 3.5Å
209	L	97.6	Very high	96.4	Very high	108 Å²	108	54.8 Å²	54.8	57%	0.565	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.6	134.2	179.4	-178.7	68.8	0	0	0	110.2	L201 L202 F211	L201-L209 CarbonylContact C-O 3.45Å; L201-L209 WeakPolarHBondContact CA-O 3.23Å; L202-L209 PolarHBondContact N-O 3.4Å; L202-L209 PolarHBondContact O-N 2.88Å; L209-F211 PolarHBondContact O-N 3.23Å
210	K	97.8	Very high	96.4	Very high	178 Å²	178	52.9 Å²	52.9	77%	0.774	27%	0.268	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.1	115.8	170.3	-173.3	177.2	-179.4	-176.9	0	109.1	L201	L201-K210 HydrophobicContact CD2-CB 4.32Å
211	F	97.4	Very high	96.5	Very high	38 Å²	38	52.9 Å²	52.9	17%	0.167	27%	0.268	C	S	.	.			trans	-127	-29.3	-169.4	-168.5	-94.4	0	0	0	113.3	L196 G200 L202 L209 F234 I241 G242 A244	L196-F211 HydrophobicContact CD1-CB 4.37Å; L196-F211 HydrophobicContact CD1-CD1 3.99Å; G200-F211 PolarHBondContact O-N 3.3Å; L202-F211 HydrophobicContact CB-CB 3.67Å; L202-F211 HydrophobicContact CB-CD2 4.28Å; L202-F211 HydrophobicContact CB-CG 3.95Å; L202-F211 HydrophobicContact CD2-CD2 3.98Å; L202-F211 HydrophobicContact CD2-CE2 4.28Å; L202-F211 HydrophobicContact CD2-CG 4.39Å; L209-F211 PolarHBondContact O-N 3.23Å; F211-F234 HydrophobicContact CE1-CB 4.08Å; F211-F234 HydrophobicContact CE1-CD2 4.28Å; F211-I241 HydrophobicContact CD1-CD1 3.94Å; F211-I241 HydrophobicContact CD1-CG1 4.48Å; F211-I241 HydrophobicContact CE1-CD1 3.8Å; F211-I241 HydrophobicContact CE1-CG1 3.91Å; F211-G242 WeakPolarHBondContact CZ-O 3.17Å; F211-A244 HydrophobicContact CE1-CB 4.38Å; F211-A244 HydrophobicContact CE2-CB 4.05Å; F211-A244 HydrophobicContact CZ-CB 3.8Å
212	S	96.3	Very high	96.5	Very high	17 Å²	17	50.5 Å²	50.5	12%	0.119	26%	0.255	C	S	.	.	S	Bend	trans	-143.9	169	179.2	-158.5	0	0	0	0	111.4	G200	G200-S212 VanDerWaalsContact CA-O 3.28Å; G200-S212 WeakPolarHBondContact CA-O 3.3Å; G200-S212 PolarHBondContact O-N 2.76Å
213	S	94.9	Very high	96.5	Very high	68 Å²	68	50 Å²	50	48%	0.476	25%	0.253	S	S	.	.			trans	-72.8	164.1	158.7	56.8	0	0	0	0	110.1	K236	S213-K236 PolarHBondContact OG-NZ 2.56Å
214	R	95.1	Very high	96.4	Very high	102 Å²	102	50.3 Å²	50.3	39%	0.385	25%	0.254	S	S	.	.			trans	-60.8	151.4	178.3	-57.8	-173.7	76.4	118.2	-0.8	111.1	V66 Y198 K236	V66-R214 HydrophobicContact CG1-CB 4.34Å; Y198-R214 VanDerWaalsContact CZ-NH2 3.28Å; Y198-R214 VanDerWaalsContact O-CA 3.27Å; Y198-R214 WeakPolarHBondContact O-CA 3.35Å; Y198-R214 WeakPolarHBondContact O-CB 3.43Å; Y198-R214 PolarHBondContact OH-NH2 3.03Å; R214-K236 PolarHBondContact O-NZ 2.75Å
215	F	94.8	Very high	96.4	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.246	C	C	.	.			trans	-126.6	155.5	170.8	55.5	-98.8	0	0	0	110.8	M156 L196 S197 Y198 I221	M156-F215 HydrophobicContact CE-CD2 3.88Å; M156-F215 HydrophobicContact CE-CE2 3.4Å; M156-F215 VanDerWaalsContact CE-CE2 3.4Å; M156-F215 HydrophobicContact CE-CZ 4.31Å; M156-F215 HydrophobicContact CG-CD2 4.25Å; M156-F215 HydrophobicContact SD-CE2 4.35Å; L196-F215 HydrophobicContact CD2-CE1 3.99Å; L196-F215 HydrophobicContact CG-CE1 3.94Å; L196-F215 HydrophobicContact CG-CZ 4.46Å; S197-F215 VanDerWaalsContact C-CZ 3.49Å; S197-F215 WeakPolarHBondContact O-CE1 3.24Å; Y198-F215 VanDerWaalsContact N-CZ 3.32Å; Y198-F215 PolarHBondContact O-N 3Å; Y198-F215 VanDerWaalsContact O-N 3.15Å; F215-I221 HydrophobicContact CB-CD1 4.16Å; F215-I221 HydrophobicContact CD1-CD1 3.66Å; F215-I221 HydrophobicContact CD1-CG1 4.41Å; F215-I221 HydrophobicContact CD2-CD1 4.07Å; F215-I221 HydrophobicContact CD2-CG1 4.13Å; F215-I221 HydrophobicContact CE1-CD1 3.91Å; F215-I221 HydrophobicContact CE1-CG1 4.31Å; F215-I221 HydrophobicContact CE2-CD1 4.33Å; F215-I221 HydrophobicContact CE2-CG1 4.06Å; F215-I221 HydrophobicContact CG-CD1 3.72Å; F215-I221 HydrophobicContact CG-CG1 4.29Å; F215-I221 HydrophobicContact CZ-CD1 4.22Å; F215-I221 HydrophobicContact CZ-CG1 4.12Å
216	G	93.4	Very high	96.4	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.222	C	C	.	.			trans	-141.6	-160.8	-168.3	0	0	0	0	0	111.8	M156 V160 G218 S219	M156-G216 WeakPolarHBondContact CB-O 3.18Å; M156-G216 WeakPolarHBondContact CG-O 3.48Å; V160-G216 VanDerWaalsContact CG2-C 3.47Å; G216-G218 PolarHBondContact O-N 2.74Å; G216-S219 PolarHBondContact N-OG 3.36Å; G216-S219 VanDerWaalsContact O-CB 3.29Å; G216-S219 WeakPolarHBondContact O-CB 3.41Å; G216-S219 PolarHBondContact O-N 3.05Å; G216-S219 PolarHBondContact O-OG 3.48Å
217	Q	92.7	Very high	96.3	Very high	48 Å²	48	42.4 Å²	42.4	22%	0.224	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	138.8	175.2	180	173.4	-29.8	0	0	110.8	S70 D75 S158 P159 S219	S70-Q217 WeakPolarHBondContact CB-O 3.37Å; D75-Q217 PolarHBondContact OD2-NE2 3.42Å; S158-Q217 WeakPolarHBondContact O-CB 3.38Å; P159-Q217 VanDerWaalsContact CG-OE1 3.24Å; P159-Q217 VanDerWaalsContact N-OE1 3.1Å; Q217-S219 PolarHBondContact O-N 3.28Å; Q217-S219 VanDerWaalsContact O-N 3.15Å
218	G	93.4	Very high	96.1	Very high	8 Å²	8	43.3 Å²	43.3	8%	0.082	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.9	-7.4	-179.9	0	0	0	0	0	114.7	Y71 M156 G216	Y71-G218 VanDerWaalsContact CB-O 3.3Å; Y71-G218 WeakPolarHBondContact CB-O 3.3Å; Y71-G218 PolarHBondContact N-O 3.25Å; M156-G218 WeakPolarHBondContact O-CA 3.43Å; M156-G218 PolarHBondContact O-N 3.1Å; G216-G218 PolarHBondContact O-N 2.74Å
219	S	95.6	Very high	95.9	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.197	C	C	.	.			trans	-66	146.1	171	-56.8	0	0	0	0	110.7	E69 M156 G216 Q217 N237	E69-S219 PolarHBondContact O-OG 2.95Å; M156-S219 PolarHBondContact N-O 2.69Å; G216-S219 PolarHBondContact N-OG 3.36Å; G216-S219 VanDerWaalsContact O-CB 3.29Å; G216-S219 WeakPolarHBondContact O-CB 3.41Å; G216-S219 PolarHBondContact O-N 3.05Å; G216-S219 PolarHBondContact O-OG 3.48Å; Q217-S219 PolarHBondContact O-N 3.28Å; Q217-S219 VanDerWaalsContact O-N 3.15Å; S219-N237 WeakPolarHBondContact CA-OD1 3.33Å
220	I	96.8	Very high	95.9	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	122.8	174	-63.8	173.6	0	0	0	108.6	Y71 E153 I154 K155 N237 I269	Y71-I220 HydrophobicContact CD1-CD1 3.6Å; Y71-I220 HydrophobicContact CD2-CD1 3.74Å; Y71-I220 HydrophobicContact CD2-CG1 4.48Å; Y71-I220 HydrophobicContact CE1-CD1 4.1Å; Y71-I220 HydrophobicContact CE2-CD1 4.21Å; Y71-I220 HydrophobicContact CG-CD1 3.4Å; Y71-I220 VanDerWaalsContact CG-CD1 3.4Å; Y71-I220 HydrophobicContact CG-CG1 4.1Å; E153-I220 HydrophobicContact CB-CG2 3.83Å; E153-I220 HydrophobicContact CG-CG2 4.1Å; I154-I220 WeakPolarHBondContact O-CA 3.2Å; K155-I220 HydrophobicContact CB-CG1 4.35Å; K155-I220 HydrophobicContact CG-CG1 4.18Å; I220-N237 PolarHBondContact N-OD1 2.85Å; I220-N237 PolarHBondContact O-N 3.12Å; I220-I269 HydrophobicContact CD1-CD1 3.6Å; I220-I269 HydrophobicContact CG1-CD1 3.87Å; I220-I269 HydrophobicContact CG2-CD1 3.84Å
221	I	98.3	Very high	95.9	Very high	1 Å²	1	29 Å²	29	1%	0.005	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	111.8	173.9	-55.2	-55.6	0	0	0	108.6	E153 I154 M156 V167 L196 F215 V223 F234 F235 K236	E153-I221 WeakPolarHBondContact CA-O 3.27Å; I154-I221 PolarHBondContact N-O 2.83Å; I154-I221 PolarHBondContact O-N 3.13Å; M156-I221 HydrophobicContact CE-CB 4.5Å; M156-I221 HydrophobicContact CE-CG1 3.73Å; V167-I221 HydrophobicContact CB-CG2 4.25Å; V167-I221 HydrophobicContact CG1-CG2 4.24Å; L196-I221 HydrophobicContact CD2-CG2 4.24Å; F215-I221 HydrophobicContact CB-CD1 4.16Å; F215-I221 HydrophobicContact CD1-CD1 3.66Å; F215-I221 HydrophobicContact CD1-CG1 4.41Å; F215-I221 HydrophobicContact CD2-CD1 4.07Å; F215-I221 HydrophobicContact CD2-CG1 4.13Å; F215-I221 HydrophobicContact CE1-CD1 3.91Å; F215-I221 HydrophobicContact CE1-CG1 4.31Å; F215-I221 HydrophobicContact CE2-CD1 4.33Å; F215-I221 HydrophobicContact CE2-CG1 4.06Å; F215-I221 HydrophobicContact CG-CD1 3.72Å; F215-I221 HydrophobicContact CG-CG1 4.29Å; F215-I221 HydrophobicContact CZ-CD1 4.22Å; F215-I221 HydrophobicContact CZ-CG1 4.12Å; I221-V223 HydrophobicContact CG2-CG2 4.5Å; I221-F234 HydrophobicContact CG2-CD1 4Å; I221-F235 CarbonylContact C-O 3.59Å; I221-F235 WeakPolarHBondContact CA-O 3.29Å; I221-K236 HydrophobicContact CD1-CB 4.46Å; I221-K236 HydrophobicContact CD1-CG 4.29Å
222	G	98	Very high	95.9	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.01	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	146	172.4	0	0	0	0	0	111	W152 F234 F235	W152-G222 CarbonylContact O-C 3.45Å; W152-G222 VanDerWaalsContact O-CA 3.28Å; W152-G222 WeakPolarHBondContact O-CA 3.49Å; G222-F234 CarbonylContact O-C 3.38Å; G222-F234 WeakPolarHBondContact O-CA 3.19Å; G222-F235 PolarHBondContact N-O 3.46Å; G222-F235 PolarHBondContact O-N 3.04Å
223	V	98.6	Very high	96	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	129.7	177.7	-169.2	0	0	0	0	108.6	F151 W152 V167 I221 L232 T233 F234	F151-V223 VanDerWaalsContact CA-O 3.32Å; F151-V223 WeakPolarHBondContact CA-O 3.44Å; F151-V223 VanDerWaalsContact CD2-O 3.22Å; F151-V223 WeakPolarHBondContact CD2-O 3.27Å; W152-V223 HydrophobicContact CD2-CB 3.89Å; W152-V223 VanDerWaalsContact CE2-CB 3.43Å; W152-V223 HydrophobicContact CE3-CB 4.29Å; W152-V223 HydrophobicContact CH2-CB 3.88Å; W152-V223 HydrophobicContact CH2-CG1 3.47Å; W152-V223 VanDerWaalsContact CH2-CG1 3.47Å; W152-V223 HydrophobicContact CZ2-CB 3.45Å; W152-V223 VanDerWaalsContact CZ2-CB 3.45Å; W152-V223 HydrophobicContact CZ2-CG1 3.35Å; W152-V223 HydrophobicContact CZ2-CG2 3.97Å; W152-V223 HydrophobicContact CZ3-CB 4.27Å; W152-V223 HydrophobicContact CZ3-CG1 4.16Å; W152-V223 PolarHBondContact N-O 3.36Å; W152-V223 PolarHBondContact O-N 3.49Å; V167-V223 HydrophobicContact CG1-CG2 3.98Å; I221-V223 HydrophobicContact CG2-CG2 4.5Å; V223-L232 HydrophobicContact CG1-CD1 3.4Å; V223-L232 VanDerWaalsContact CG1-CD1 3.4Å; V223-T233 WeakPolarHBondContact CA-O 3.28Å; V223-F234 HydrophobicContact CG1-CD1 4.46Å; V223-F234 HydrophobicContact CG1-CE1 4.24Å; V223-F234 HydrophobicContact CG1-CZ 4.49Å; V223-F234 HydrophobicContact CG2-CD1 3.77Å; V223-F234 HydrophobicContact CG2-CE1 3.67Å
224	H	97.8	Very high	96.1	Very high	14 Å²	14	23.9 Å²	23.9	7%	0.065	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	121.5	172.7	-179.9	-115.9	0	0	0	109.5	Q149 H150 F151 L232 T233 F235 Y280 W316	Q149-H224 PolarHBondContact OE1-CE1 2.78Å; Q149-H224 PolarHBondContact OE1-NE2 3.07Å; Q149-H224 VanDerWaalsContact OE1-NE2 3.16Å; H150-H224 CarbonylContact O-C 3.59Å; H150-H224 VanDerWaalsContact O-CA 3.29Å; H150-H224 WeakPolarHBondContact O-CA 3.49Å; H150-H224 PolarHBondContact O-CD2 3.33Å; F151-H224 HydrophobicContact CD2-CB 3.94Å; H224-L232 WeakPolarHBondContact O-CA 3.32Å; H224-T233 PolarHBondContact N-O 3.29Å; H224-T233 PolarHBondContact O-N 3.32Å; H224-F235 HydrophobicContact CB-CE2 3.81Å; H224-Y280 PolarHBondContact NE2-OH 3.42Å; H224-W316 AromaticContact CD2-CH2 3.54Å; H224-W316 AromaticContact CD2-CZ3 3.5Å; H224-W316 AromaticContact NE2-CH2 3.48Å; H224-W316 WeakPolarHBondContact NE2-CH2 3.48Å; H224-W316 AromaticContact NE2-CZ3 3.79Å
225	L	97.8	Very high	96.2	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.005	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	109	170.9	-179	66.4	0	0	0	109	L145 H150 W152 I169 T227 L232 L248 F253	L145-L225 HydrophobicContact CB-CD2 3.96Å; L145-L225 HydrophobicContact CD1-CD2 3.61Å; L145-L225 HydrophobicContact CG-CD2 4.45Å; H150-L225 HydrophobicContact CB-CB 4.4Å; H150-L225 PolarHBondContact N-O 2.89Å; H150-L225 PolarHBondContact O-N 2.92Å; W152-L225 HydrophobicContact CH2-CB 4.26Å; W152-L225 HydrophobicContact CZ3-CB 4.07Å; I169-L225 HydrophobicContact CD1-CD1 4.32Å; L225-T227 HydrophobicContact CD2-CG2 4.01Å; L225-T227 HydrophobicContact CG-CG2 3.99Å; L225-L232 HydrophobicContact CD1-CD1 4.42Å; L225-L248 HydrophobicContact CD1-CD1 3.8Å; L225-F253 HydrophobicContact CD2-CB 4.03Å; L225-F253 HydrophobicContact CD2-CD2 4.22Å; L225-F253 HydrophobicContact CD2-CG 4.47Å
226	D	96.3	Very high	96.3	Very high	11 Å²	11	20 Å²	20	6%	0.059	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	100.4	169.4	-175.7	-21.9	0	0	0	108.1	Q149 W228 H229 G230 T231	Q149-D226 PolarHBondContact NE2-OD1 3.43Å; Q149-D226 PolarHBondContact OE1-OD2 2.86Å; D226-W228 VanDerWaalsContact C-N 3.25Å; D226-W228 PolarHBondContact O-N 2.54Å; D226-W228 WeakPolarHBondContact OD1-CA 3.36Å; D226-W228 WeakPolarHBondContact OD1-CB 3.33Å; D226-W228 PolarHBondContact OD1-N 3.31Å; D226-H229 PolarHBondContact OD1-N 3.16Å; D226-H229 IonicContact OD1-ND1 3.5Å; D226-H229 IonicContact OD2-CE1 3.75Å; D226-H229 IonicContact OD2-CG 3.57Å; D226-H229 IonicContact OD2-ND1 3.62Å; D226-H229 PolarHBondContact OD2-ND1 3Å; D226-G230 CarbonylContact O-C 3.6Å; D226-G230 WeakPolarHBondContact O-CA 3.14Å; D226-G230 PolarHBondContact O-N 2.86Å; D226-T231 WeakPolarHBondContact CB-OG1 3.41Å; D226-T231 PolarHBondContact N-O 3.43Å; D226-T231 PolarHBondContact O-N 2.98Å
227	T	95.4	Very high	96.3	Very high	36 Å²	36	21.7 Å²	21.7	22%	0.221	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-16.4	-179.7	61.9	0	0	0	0	112.8	A146 G148 L225	A146-T227 WeakPolarHBondContact O-CG2 3.08Å; G148-T227 PolarHBondContact N-OG1 3.42Å; G148-T227 PolarHBondContact O-N 2.9Å; G148-T227 VanDerWaalsContact O-N 3.1Å; G148-T227 PolarHBondContact O-OG1 3.14Å; L225-T227 HydrophobicContact CD2-CG2 4.01Å; L225-T227 HydrophobicContact CG-CG2 3.99Å
228	W	92.8	Very high	96.3	Very high	140 Å²	140	22 Å²	22	53%	0.53	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-49.1	178.9	-177	44.7	0	0	0	111.2	D226 H249 T276 L281	D226-W228 VanDerWaalsContact C-N 3.25Å; D226-W228 PolarHBondContact O-N 2.54Å; D226-W228 WeakPolarHBondContact OD1-CA 3.36Å; D226-W228 WeakPolarHBondContact OD1-CB 3.33Å; D226-W228 PolarHBondContact OD1-N 3.31Å; W228-H249 PolarHBondContact O-NE2 3.06Å; W228-T276 HydrophobicContact CB-CG2 4.22Å; W228-T276 HydrophobicContact CD2-CG2 3.67Å; W228-T276 HydrophobicContact CE3-CG2 3.31Å; W228-T276 HydrophobicContact CG-CG2 4.08Å; W228-T276 HydrophobicContact CZ3-CG2 3.86Å; W228-L281 HydrophobicContact CH2-CD1 4.36Å; W228-L281 HydrophobicContact CZ3-CD1 4.15Å; W228-L281 HydrophobicContact CZ3-CD2 3.9Å
229	H	94.1	Very high	96.2	Very high	95 Å²	95	26.3 Å²	26.3	44%	0.44	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-9.7	173.7	-60	109.9	0	0	0	113.2	D226 T231 H249	D226-H229 PolarHBondContact OD1-N 3.16Å; D226-H229 IonicContact OD1-ND1 3.5Å; D226-H229 IonicContact OD2-CE1 3.75Å; D226-H229 IonicContact OD2-CG 3.57Å; D226-H229 IonicContact OD2-ND1 3.62Å; D226-H229 PolarHBondContact OD2-ND1 3Å; H229-T231 HydrophobicContact CB-CG2 4.03Å; H229-H249 VanDerWaalsContact C-CE1 3.42Å; H229-H249 VanDerWaalsContact C-NE2 3.34Å; H229-H249 PolarHBondContact O-CE1 3.18Å; H229-H249 PolarHBondContact O-NE2 2.65Å
230	G	96.4	Very high	96.1	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.1	40	-178.8	0	0	0	0	0	112.5	D226 T246 E247 L248 H249	D226-G230 CarbonylContact O-C 3.6Å; D226-G230 WeakPolarHBondContact O-CA 3.14Å; D226-G230 PolarHBondContact O-N 2.86Å; G230-T246 CarbonylContact O-C 3.21Å; G230-T246 VanDerWaalsContact O-CA 3.3Å; G230-T246 WeakPolarHBondContact O-CA 3.43Å; G230-E247 PolarHBondContact O-N 2.9Å; G230-L248 WeakPolarHBondContact O-CB 3.3Å; G230-L248 PolarHBondContact O-N 2.8Å; G230-H249 PolarHBondContact N-NE2 3.18Å
231	T	97.3	Very high	96.1	Very high	30 Å²	30	30 Å²	30	18%	0.184	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	136.8	-176.6	66.3	0	0	0	0	112.5	D226 H229 A245 T246	D226-T231 WeakPolarHBondContact CB-OG1 3.41Å; D226-T231 PolarHBondContact N-O 3.43Å; D226-T231 PolarHBondContact O-N 2.98Å; H229-T231 HydrophobicContact CB-CG2 4.03Å; T231-A245 CarbonylContact C-O 3.49Å; T231-A245 WeakPolarHBondContact CA-O 3.44Å; T231-T246 HydrophobicContact CG2-CG2 4.26Å
232	L	98.3	Very high	95.9	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	122.7	172.3	178.3	68.3	0	0	0	109.5	I169 W194 V223 H224 L225 F234 V243 A244 A245 L248	I169-L232 HydrophobicContact CD1-CD1 4.12Å; I169-L232 HydrophobicContact CD1-CD2 3.87Å; I169-L232 HydrophobicContact CD1-CG 4.47Å; I169-L232 HydrophobicContact CG1-CD1 4.47Å; I169-L232 HydrophobicContact CG1-CD2 3.97Å; I169-L232 HydrophobicContact CG2-CD1 4.2Å; W194-L232 HydrophobicContact CB-CD2 3.9Å; W194-L232 HydrophobicContact CG-CD2 4.25Å; V223-L232 HydrophobicContact CG1-CD1 3.4Å; V223-L232 VanDerWaalsContact CG1-CD1 3.4Å; H224-L232 WeakPolarHBondContact O-CA 3.32Å; L225-L232 HydrophobicContact CD1-CD1 4.42Å; L232-F234 HydrophobicContact CD2-CE2 3.73Å; L232-F234 HydrophobicContact CD2-CZ 4.18Å; L232-F234 HydrophobicContact CG-CD2 4.46Å; L232-F234 HydrophobicContact CG-CE2 3.91Å; L232-V243 CarbonylContact O-C 3.6Å; L232-A244 HydrophobicContact CD2-CB 4.36Å; L232-A244 HydrophobicContact CG-CB 4.41Å; L232-A244 PolarHBondContact O-N 2.86Å; L232-A245 HydrophobicContact CB-CB 4.22Å; L232-A245 PolarHBondContact N-O 3.23Å; L232-A245 PolarHBondContact O-N 2.79Å; L232-L248 HydrophobicContact CB-CD1 3.55Å
233	T	98.1	Very high	95.9	Very high	15 Å²	15	34.8 Å²	34.8	9%	0.092	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	136.7	-178.6	-54.9	0	0	0	0	109.6	V223 H224 F235 G242	V223-T233 WeakPolarHBondContact CA-O 3.28Å; H224-T233 PolarHBondContact N-O 3.29Å; H224-T233 PolarHBondContact O-N 3.32Å; T233-F235 HydrophobicContact CG2-CE2 3.71Å; T233-F235 HydrophobicContact CG2-CZ 3.95Å; T233-G242 WeakPolarHBondContact CA-O 3.45Å; T233-G242 VanDerWaalsContact CG2-O 3.23Å; T233-G242 WeakPolarHBondContact CG2-O 3.49Å
234	F	98.2	Very high	95.9	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	155.2	175.3	-72.8	-95.5	0	0	0	112.1	L196 L202 F211 I221 G222 V223 L232 I241 G242 A244	L196-F234 HydrophobicContact CB-CD1 4.03Å; L196-F234 HydrophobicContact CB-CE1 3.65Å; L196-F234 HydrophobicContact CB-CE2 4.41Å; L196-F234 HydrophobicContact CB-CZ 3.86Å; L196-F234 HydrophobicContact CD2-CB 4.25Å; L196-F234 HydrophobicContact CD2-CD1 3.69Å; L196-F234 HydrophobicContact CD2-CE1 4.2Å; L196-F234 HydrophobicContact CD2-CG 4.02Å; L196-F234 HydrophobicContact CG-CD1 4.5Å; L202-F234 HydrophobicContact CD1-CE2 3.98Å; F211-F234 HydrophobicContact CE1-CB 4.08Å; F211-F234 HydrophobicContact CE1-CD2 4.28Å; I221-F234 HydrophobicContact CG2-CD1 4Å; G222-F234 CarbonylContact O-C 3.38Å; G222-F234 WeakPolarHBondContact O-CA 3.19Å; V223-F234 HydrophobicContact CG1-CD1 4.46Å; V223-F234 HydrophobicContact CG1-CE1 4.24Å; V223-F234 HydrophobicContact CG1-CZ 4.49Å; V223-F234 HydrophobicContact CG2-CD1 3.77Å; V223-F234 HydrophobicContact CG2-CE1 3.67Å; L232-F234 HydrophobicContact CD2-CE2 3.73Å; L232-F234 HydrophobicContact CD2-CZ 4.18Å; L232-F234 HydrophobicContact CG-CD2 4.46Å; L232-F234 HydrophobicContact CG-CE2 3.91Å; F234-I241 VanDerWaalsContact C-CG1 3.46Å; F234-I241 HydrophobicContact CB-CD1 3.75Å; F234-I241 HydrophobicContact CB-CG1 3.76Å; F234-I241 WeakPolarHBondContact O-CG1 3.3Å; F234-I241 PolarHBondContact O-N 2.97Å; F234-G242 PolarHBondContact N-O 3.15Å; F234-A244 HydrophobicContact CD2-CB 3.5Å; F234-A244 HydrophobicContact CE2-CB 3.56Å
235	F	97	Very high	95.8	Very high	9 Å²	9	35.7 Å²	35.7	4%	0.039	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	139.9	176.7	-59.9	-106	0	0	0	108.4	F151 I221 G222 H224 T233 K239 C240 L320	F151-F235 AromaticContact CE2-CD2 3.82Å; F151-F235 HydrophobicContact CE2-CD2 3.82Å; F151-F235 HydrophobicContact CE2-CE2 4.02Å; F151-F235 HydrophobicContact CE2-CG 4.35Å; I221-F235 CarbonylContact C-O 3.59Å; I221-F235 WeakPolarHBondContact CA-O 3.29Å; G222-F235 PolarHBondContact N-O 3.46Å; G222-F235 PolarHBondContact O-N 3.04Å; H224-F235 HydrophobicContact CB-CE2 3.81Å; T233-F235 HydrophobicContact CG2-CE2 3.71Å; T233-F235 HydrophobicContact CG2-CZ 3.95Å; F235-K239 CarbonylContact C-O 3.55Å; F235-K239 WeakPolarHBondContact CA-O 3.39Å; F235-C240 HydrophobicContact CD1-CB 3.74Å; F235-C240 HydrophobicContact CE1-CB 3.48Å; F235-C240 VanDerWaalsContact CE1-CB 3.48Å; F235-C240 HydrophobicContact CZ-CB 4.19Å; F235-L320 HydrophobicContact CD1-CD2 4.16Å; F235-L320 HydrophobicContact CE1-CB 4.09Å; F235-L320 HydrophobicContact CE1-CD1 4.34Å; F235-L320 HydrophobicContact CE1-CD2 3.72Å; F235-L320 HydrophobicContact CE1-CG 4.24Å; F235-L320 HydrophobicContact CE2-CD2 4.42Å; F235-L320 HydrophobicContact CZ-CB 4.49Å; F235-L320 HydrophobicContact CZ-CD1 3.93Å; F235-L320 HydrophobicContact CZ-CD2 3.88Å; F235-L320 HydrophobicContact CZ-CG 4.3Å
236	K	95.8	Very high	95.7	Very high	11 Å²	11	39.7 Å²	39.7	5%	0.048	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	124.7	171.4	-179.7	-175.8	167.2	-167.5	0	108.1	E69 S213 R214 I221 R238 K239 I241	E69-K236 WeakPolarHBondContact OE2-CE 3.41Å; E69-K236 IonicContact OE2-NZ 3.3Å; E69-K236 PolarHBondContact OE2-NZ 3.31Å; S213-K236 PolarHBondContact OG-NZ 2.56Å; R214-K236 PolarHBondContact O-NZ 2.75Å; I221-K236 HydrophobicContact CD1-CB 4.46Å; I221-K236 HydrophobicContact CD1-CG 4.29Å; K236-R238 PolarHBondContact O-N 3.44Å; K236-K239 PolarHBondContact N-O 3.42Å; K236-K239 WeakPolarHBondContact O-CB 3.45Å; K236-K239 PolarHBondContact O-N 3.14Å; K236-I241 HydrophobicContact CB-CD1 4.46Å; K236-I241 HydrophobicContact CB-CG2 3.81Å
237	N	94.2	Very high	95.6	Very high	36 Å²	36	47 Å²	47	19%	0.193	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.6	46.9	-177.2	-62.1	-24.2	0	0	0	111.7	E69 Y71 S219 I220 K239	E69-N237 PolarHBondContact O-ND2 2.9Å; Y71-N237 HydrophobicContact CD2-CB 4.12Å; S219-N237 WeakPolarHBondContact CA-OD1 3.33Å; I220-N237 PolarHBondContact N-OD1 2.85Å; I220-N237 PolarHBondContact O-N 3.12Å; N237-K239 PolarHBondContact O-N 3.34Å; N237-K239 VanDerWaalsContact O-N 3.16Å
238	R	92.1	Very high	95.5	Very high	54 Å²	54	45.9 Å²	45.9	20%	0.204	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.1	8.6	-178.1	-58.2	-177.9	174.7	170.3	0	116	Y71 G98 D100 E153 K236	Y71-R238 HydrophobicContact CE2-CG 4.27Å; Y71-R238 PolarHBondContact OH-NH1 3.05Å; Y71-R238 VanDerWaalsContact OH-NH1 3.13Å; G98-R238 PolarHBondContact O-NH2 2.84Å; G98-R238 VanDerWaalsContact O-NH2 3.1Å; D100-R238 IonicContact OD2-CZ 2.67Å; D100-R238 IonicContact OD2-NH1 3.54Å; D100-R238 IonicContact OD2-NH2 3.07Å; D100-R238 PolarHBondContact OD2-NH2 2.84Å; E153-R238 IonicContact OE1-NE 3.52Å; E153-R238 IonicContact OE2-NE 3.53Å; E153-R238 IonicContact OE2-NH2 3.88Å; K236-R238 PolarHBondContact O-N 3.44Å
239	K	91.6	Very high	95.3	Very high	98 Å²	98	43.4 Å²	43.4	43%	0.426	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	129.5	168.5	-171.6	177.1	-178.9	178	0	110.2	F235 K236 N237 I241 E326	F235-K239 CarbonylContact C-O 3.55Å; F235-K239 WeakPolarHBondContact CA-O 3.39Å; K236-K239 PolarHBondContact N-O 3.42Å; K236-K239 WeakPolarHBondContact O-CB 3.45Å; K236-K239 PolarHBondContact O-N 3.14Å; N237-K239 PolarHBondContact O-N 3.34Å; N237-K239 VanDerWaalsContact O-N 3.16Å; K239-I241 PolarHBondContact O-N 3.36Å; K239-E326 IonicContact NZ-OE1 2.81Å
240	C	93.8	Very high	94.7	Very high	29 Å²	29	47 Å²	47	20%	0.196	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	130.7	173.6	-175	0	0	0	0	109.9	F235 N321	F235-C240 HydrophobicContact CD1-CB 3.74Å; F235-C240 HydrophobicContact CE1-CB 3.48Å; F235-C240 VanDerWaalsContact CE1-CB 3.48Å; F235-C240 HydrophobicContact CZ-CB 4.19Å; C240-N321 WeakPolarHBondContact CB-O 3.42Å; C240-N321 PolarHBondContact N-O 3.03Å
241	I	95.6	Very high	94.3	Very high	49 Å²	49	50.8 Å²	50.8	25%	0.251	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	-9.6	176.9	55.6	164	0	0	0	112.9	L196 F211 F234 K236 K239	L196-I241 HydrophobicContact CD2-CD1 3.99Å; F211-I241 HydrophobicContact CD1-CD1 3.94Å; F211-I241 HydrophobicContact CD1-CG1 4.48Å; F211-I241 HydrophobicContact CE1-CD1 3.8Å; F211-I241 HydrophobicContact CE1-CG1 3.91Å; F234-I241 VanDerWaalsContact C-CG1 3.46Å; F234-I241 HydrophobicContact CB-CD1 3.75Å; F234-I241 HydrophobicContact CB-CG1 3.76Å; F234-I241 WeakPolarHBondContact O-CG1 3.3Å; F234-I241 PolarHBondContact O-N 2.97Å; K236-I241 HydrophobicContact CB-CD1 4.46Å; K236-I241 HydrophobicContact CB-CG2 3.81Å; K239-I241 PolarHBondContact O-N 3.36Å
242	G	95.5	Very high	94.2	Very high	22 Å²	22	54.9 Å²	54.9	23%	0.227	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	137.9	175.6	169.1	0	0	0	0	0	114.6	F211 T233 F234	F211-G242 WeakPolarHBondContact CZ-O 3.17Å; T233-G242 WeakPolarHBondContact CA-O 3.45Å; T233-G242 VanDerWaalsContact CG2-O 3.23Å; T233-G242 WeakPolarHBondContact CG2-O 3.49Å; F234-G242 PolarHBondContact N-O 3.15Å
243	V	97.7	Very high	94.2	Very high	81 Å²	81	55.1 Å²	55.1	49%	0.491	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	116.4	172.3	-178.5	0	0	0	0	108.6	L232 A245 T246	L232-V243 CarbonylContact O-C 3.6Å; V243-A245 WeakPolarHBondContact CG1-O 3.29Å; V243-T246 HydrophobicContact CG1-CG2 3.94Å
244	A	97.6	Very high	94.2	Very high	19 Å²	19	56.6 Å²	56.6	16%	0.157	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	-32.8	-178.4	0	0	0	0	0	113.2	L202 F211 L232 F234	L202-A244 HydrophobicContact CD1-CB 3.76Å; L202-A244 HydrophobicContact CD2-CB 3.49Å; L202-A244 VanDerWaalsContact CD2-CB 3.49Å; L202-A244 VanDerWaalsContact CD2-O 3.32Å; L202-A244 WeakPolarHBondContact CD2-O 3.13Å; L202-A244 HydrophobicContact CG-CB 4.28Å; F211-A244 HydrophobicContact CE1-CB 4.38Å; F211-A244 HydrophobicContact CE2-CB 4.05Å; F211-A244 HydrophobicContact CZ-CB 3.8Å; L232-A244 HydrophobicContact CD2-CB 4.36Å; L232-A244 HydrophobicContact CG-CB 4.41Å; L232-A244 PolarHBondContact O-N 2.86Å; F234-A244 HydrophobicContact CD2-CB 3.5Å; F234-A244 HydrophobicContact CE2-CB 3.56Å
245	A	97.1	Very high	94.2	Very high	13 Å²	13	56.6 Å²	56.6	11%	0.107	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	151.3	177.9	0	0	0	0	0	111.1	T231 L232 V243 L248	T231-A245 CarbonylContact C-O 3.49Å; T231-A245 WeakPolarHBondContact CA-O 3.44Å; L232-A245 HydrophobicContact CB-CB 4.22Å; L232-A245 PolarHBondContact N-O 3.23Å; L232-A245 PolarHBondContact O-N 2.79Å; V243-A245 WeakPolarHBondContact CG1-O 3.29Å; A245-L248 HydrophobicContact CB-CD1 4.17Å; A245-L248 HydrophobicContact CB-CD2 4.21Å; A245-L248 HydrophobicContact CB-CG 4.31Å
246	T	96.1	Very high	94.3	Very high	86 Å²	86	56.2 Å²	56.2	53%	0.528	28%	0.284	S	S	.	.			trans	-123.8	173.8	172.2	57.2	0	0	0	0	108.9	G230 T231 V243 L248	G230-T246 CarbonylContact O-C 3.21Å; G230-T246 VanDerWaalsContact O-CA 3.3Å; G230-T246 WeakPolarHBondContact O-CA 3.43Å; T231-T246 HydrophobicContact CG2-CG2 4.26Å; V243-T246 HydrophobicContact CG1-CG2 3.94Å; T246-L248 VanDerWaalsContact C-N 3.26Å; T246-L248 PolarHBondContact O-N 2.81Å
247	E	92.8	Very high	94.4	Very high	165 Å²	165	55.7 Å²	55.7	77%	0.771	28%	0.282	S	S	*	.			trans	61.1	32.9	175.7	-51.4	-179.2	175.4	0	0	113.7	G230 H249	G230-E247 PolarHBondContact O-N 2.9Å; E247-H249 PolarHBondContact O-N 3.38Å; E247-H249 VanDerWaalsContact O-N 3.14Å
248	L	93.4	Very high	94.7	Very high	12 Å²	12	54 Å²	54	6%	0.063	27%	0.273	C	S	.	.			trans	-78.7	16.9	176.7	-63	177	0	0	0	113.6	I169 W194 L225 G230 L232 A245 T246 F253	I169-L248 HydrophobicContact CD1-CD1 4.1Å; W194-L248 HydrophobicContact CD2-CD2 4.28Å; W194-L248 HydrophobicContact CE3-CD2 4.49Å; W194-L248 HydrophobicContact CH2-CD2 3.66Å; W194-L248 HydrophobicContact CZ2-CD2 3.3Å; W194-L248 HydrophobicContact CZ3-CD2 4.27Å; L225-L248 HydrophobicContact CD1-CD1 3.8Å; G230-L248 WeakPolarHBondContact O-CB 3.3Å; G230-L248 PolarHBondContact O-N 2.8Å; L232-L248 HydrophobicContact CB-CD1 3.55Å; A245-L248 HydrophobicContact CB-CD1 4.17Å; A245-L248 HydrophobicContact CB-CD2 4.21Å; A245-L248 HydrophobicContact CB-CG 4.31Å; T246-L248 VanDerWaalsContact C-N 3.26Å; T246-L248 PolarHBondContact O-N 2.81Å; L248-F253 HydrophobicContact CB-CE2 3.91Å; L248-F253 HydrophobicContact CB-CZ 4.37Å; L248-F253 HydrophobicContact CD2-CE2 4.32Å; L248-F253 HydrophobicContact CD2-CZ 3.96Å
249	H	88.7	Confident	94.9	Very high	88 Å²	88	51.5 Å²	51.5	41%	0.407	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	153.4	178.2	-56.5	90.2	0	0	0	111.3	W228 H229 G230 E247 K251	W228-H249 PolarHBondContact O-NE2 3.06Å; H229-H249 VanDerWaalsContact C-CE1 3.42Å; H229-H249 VanDerWaalsContact C-NE2 3.34Å; H229-H249 PolarHBondContact O-CE1 3.18Å; H229-H249 PolarHBondContact O-NE2 2.65Å; G230-H249 PolarHBondContact N-NE2 3.18Å; E247-H249 PolarHBondContact O-N 3.38Å; E247-H249 VanDerWaalsContact O-N 3.14Å; H249-K251 PolarHBondContact O-N 2.97Å; H249-K251 VanDerWaalsContact O-N 3.17Å
250	N	81.8	Confident	95.2	Very high	171 Å²	171	47 Å²	47	91%	0.914	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.2	7.1	174.3	-47.3	-45.3	0	0	0	116.5
251	K	88.6	Confident	95.3	Very high	79 Å²	79	45.7 Å²	45.7	34%	0.343	24%	0.236	S	C	.	.			trans	-111.4	148.2	170	-72.1	-167.2	176.6	-154.2	0	110.4	T171 A191 D192 W194 H249 F253	T171-K251 HydrophobicContact CG2-CD 4.17Å; A191-K251 PolarHBondContact O-NZ 2.79Å; D192-K251 IonicContact OD1-NZ 3.28Å; D192-K251 PolarHBondContact OD1-NZ 2.87Å; W194-K251 HydrophobicContact CH2-CD 4.41Å; H249-K251 PolarHBondContact O-N 2.97Å; H249-K251 VanDerWaalsContact O-N 3.17Å; K251-F253 HydrophobicContact CB-CD2 4.24Å; K251-F253 HydrophobicContact CB-CE1 4.05Å; K251-F253 HydrophobicContact CB-CE2 3.45Å; K251-F253 VanDerWaalsContact CB-CE2 3.45Å; K251-F253 HydrophobicContact CB-CZ 3.36Å; K251-F253 HydrophobicContact CD-CE1 4.2Å; K251-F253 HydrophobicContact CD-CZ 3.78Å; K251-F253 HydrophobicContact CG-CZ 4.17Å
252	R	93.9	Very high	95.3	Very high	115 Å²	115	44.3 Å²	44.3	43%	0.434	23%	0.232	S	C	.	.			trans	-104.6	123.8	174.7	-55.1	-65.8	-92.7	-171.1	-0.2	107.7	E144 D147	E144-R252 HydrophobicContact CG-CB 3.95Å; E144-R252 IonicContact OE1-CZ 2.62Å; E144-R252 IonicContact OE1-NE 3.82Å; E144-R252 PolarHBondContact OE1-NE 3.3Å; E144-R252 IonicContact OE1-NH2 2.95Å; E144-R252 PolarHBondContact OE1-NH2 2.86Å; E144-R252 IonicContact OE2-NE 2.71Å; D147-R252 IonicContact OD1-NH1 2.69Å; D147-R252 PolarHBondContact OD1-NH1 3.17Å
253	F	98.1	Very high	95.3	Very high	5 Å²	5	50 Å²	50	2%	0.022	25%	0.25	C	S	.	.	B	Isolated β-bridge	trans	-114	152.7	-170.7	-69.1	-69.1	0	0	0	111.7	L145 I169 T171 W194 L225 L248 K251	L145-F253 WeakPolarHBondContact CB-O 3.4Å; L145-F253 HydrophobicContact CD1-CB 4.47Å; L145-F253 PolarHBondContact N-O 3.31Å; I169-F253 HydrophobicContact CB-CB 4.43Å; I169-F253 HydrophobicContact CB-CD1 4.33Å; I169-F253 HydrophobicContact CD1-CB 4.46Å; I169-F253 HydrophobicContact CD1-CD1 3.76Å; I169-F253 HydrophobicContact CD1-CD2 4.29Å; I169-F253 HydrophobicContact CD1-CE1 4Å; I169-F253 HydrophobicContact CD1-CE2 4.49Å; I169-F253 HydrophobicContact CD1-CG 3.9Å; I169-F253 HydrophobicContact CD1-CZ 4.34Å; I169-F253 HydrophobicContact CG1-CD1 4.2Å; T171-F253 HydrophobicContact CG2-CD1 4.25Å; T171-F253 HydrophobicContact CG2-CE1 4.01Å; W194-F253 AromaticContact CE3-CE1 3.93Å; W194-F253 HydrophobicContact CE3-CE1 3.93Å; W194-F253 HydrophobicContact CE3-CZ 4.43Å; W194-F253 HydrophobicContact CH2-CE1 4.2Å; W194-F253 HydrophobicContact CH2-CZ 4.08Å; W194-F253 AromaticContact CZ3-CE1 3.44Å; W194-F253 HydrophobicContact CZ3-CE1 3.44Å; W194-F253 VanDerWaalsContact CZ3-CE1 3.44Å; W194-F253 AromaticContact CZ3-CZ 3.77Å; W194-F253 HydrophobicContact CZ3-CZ 3.77Å; L225-F253 HydrophobicContact CD2-CB 4.03Å; L225-F253 HydrophobicContact CD2-CD2 4.22Å; L225-F253 HydrophobicContact CD2-CG 4.47Å; L248-F253 HydrophobicContact CB-CE2 3.91Å; L248-F253 HydrophobicContact CB-CZ 4.37Å; L248-F253 HydrophobicContact CD2-CE2 4.32Å; L248-F253 HydrophobicContact CD2-CZ 3.96Å; K251-F253 HydrophobicContact CB-CD2 4.24Å; K251-F253 HydrophobicContact CB-CE1 4.05Å; K251-F253 HydrophobicContact CB-CE2 3.45Å; K251-F253 VanDerWaalsContact CB-CE2 3.45Å; K251-F253 HydrophobicContact CB-CZ 3.36Å; K251-F253 HydrophobicContact CD-CE1 4.2Å; K251-F253 HydrophobicContact CD-CZ 3.78Å; K251-F253 HydrophobicContact CG-CZ 4.17Å
254	Y	98.7	Very high	95.2	Very high	47 Å²	47	46.2 Å²	46.2	18%	0.184	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	146	168.8	-63.5	-99.7	0	0	0	108.4	R140 R143 E144 I169 G170	R140-Y254 HydrophobicContact CG-CD1 3.95Å; R140-Y254 HydrophobicContact CG-CG 3.74Å; R143-Y254 VanDerWaalsContact O-CD1 3.3Å; R143-Y254 WeakPolarHBondContact O-CD1 3.01Å; E144-Y254 VanDerWaalsContact CA-CE1 3.45Å; E144-Y254 HydrophobicContact CB-CD1 4.34Å; E144-Y254 HydrophobicContact CB-CE1 3.66Å; E144-Y254 HydrophobicContact CB-CE2 4.28Å; E144-Y254 HydrophobicContact CG-CE1 4.32Å; E144-Y254 HydrophobicContact CG-CE2 4.05Å; E144-Y254 VanDerWaalsContact N-CE1 3.29Å; I169-Y254 CarbonylContact C-O 3.53Å; I169-Y254 VanDerWaalsContact CA-O 3.26Å; I169-Y254 WeakPolarHBondContact CA-O 3.21Å; G170-Y254 PolarHBondContact N-O 2.86Å; G170-Y254 PolarHBondContact O-N 3.06Å
255	P	98.7	Very high	95.2	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	140.4	169.1	30.2	-30.8	0	0	0	108.7	W106 R140 G141 L145 W152	W106-P255 HydrophobicContact CD2-CG 3.64Å; W106-P255 HydrophobicContact CE3-CG 3.71Å; W106-P255 HydrophobicContact CG-CG 4.47Å; W106-P255 HydrophobicContact CH2-CB 3.48Å; W106-P255 VanDerWaalsContact CH2-CB 3.48Å; W106-P255 HydrophobicContact CH2-CG 3.39Å; W106-P255 HydrophobicContact CZ2-CB 3.42Å; W106-P255 VanDerWaalsContact CZ2-CB 3.42Å; W106-P255 HydrophobicContact CZ2-CG 3.26Å; W106-P255 HydrophobicContact CZ3-CB 4.14Å; W106-P255 HydrophobicContact CZ3-CG 3.61Å; R140-P255 CarbonylContact C-O 3.57Å; G141-P255 PolarHBondContact N-O 3.19Å; L145-P255 HydrophobicContact CD2-CG 4.5Å; W152-P255 HydrophobicContact CD2-CB 4.32Å; W152-P255 HydrophobicContact CH2-CB 4.48Å; W152-P255 HydrophobicContact CZ2-CB 3.8Å
256	M	98.8	Very high	95.2	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.005	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	151.9	-176.3	-67.7	-173.8	179.2	0	0	111.9	V139 R140 G168 G170 T171 V174 L176 L187	V139-M256 WeakPolarHBondContact O-CA 3.07Å; R140-M256 HydrophobicContact CB-CE 4.44Å; R140-M256 HydrophobicContact CB-CG 4.46Å; R140-M256 HydrophobicContact CG-CE 3.97Å; R140-M256 HydrophobicContact CG-CG 4.37Å; R140-M256 VanDerWaalsContact NE-CE 3.34Å; G168-M256 PolarHBondContact N-O 2.8Å; G168-M256 PolarHBondContact O-N 3.02Å; G170-M256 VanDerWaalsContact C-CE 3.49Å; G170-M256 WeakPolarHBondContact O-CE 3.5Å; T171-M256 WeakPolarHBondContact O-CE 3.3Å; V174-M256 HydrophobicContact CB-CE 3.97Å; V174-M256 HydrophobicContact CB-SD 4.27Å; V174-M256 HydrophobicContact CG1-CE 4.48Å; V174-M256 HydrophobicContact CG1-SD 4.21Å; V174-M256 HydrophobicContact CG2-CE 4.12Å; V174-M256 HydrophobicContact CG2-SD 4.3Å; L176-M256 HydrophobicContact CD2-SD 4.42Å; L187-M256 HydrophobicContact CD1-CB 4.05Å; L187-M256 HydrophobicContact CD2-CB 3.8Å; L187-M256 HydrophobicContact CD2-CG 4.49Å; L187-M256 HydrophobicContact CD2-SD 3.85Å
257	A	98.8	Very high	95.3	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	148.5	169.2	0	0	0	0	0	109.9	W108 F128 A138 V139 M166 M266	W108-A257 HydrophobicContact CH2-CB 3.86Å; W108-A257 HydrophobicContact CZ2-CB 4.17Å; F128-A257 HydrophobicContact CZ-CB 4.34Å; A138-A257 CarbonylContact C-O 3.52Å; A138-A257 VanDerWaalsContact CA-O 3.3Å; A138-A257 WeakPolarHBondContact CA-O 3.33Å; V139-A257 HydrophobicContact CG1-CB 4.14Å; V139-A257 PolarHBondContact N-O 2.89Å; V139-A257 PolarHBondContact O-N 2.85Å; V139-A257 VanDerWaalsContact O-N 3.11Å; M166-A257 VanDerWaalsContact O-CA 3.29Å; M166-A257 WeakPolarHBondContact O-CA 3.32Å; A257-M266 HydrophobicContact CB-SD 3.8Å
258	C	98.6	Very high	95.6	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.007	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	157	172.6	72.8	0	0	0	0	112	T136 A137 A138 M165 M166 L186 L187	T136-C258 HydrophobicContact CG2-CB 4.36Å; A137-C258 CarbonylContact O-C 3.19Å; A137-C258 WeakPolarHBondContact O-CA 3.47Å; A137-C258 WeakPolarHBondContact O-CB 3.41Å; A138-C258 HydrophobicContact CB-CB 3.76Å; M165-C258 WeakPolarHBondContact CA-O 3.44Å; M166-C258 PolarHBondContact N-O 2.99Å; M166-C258 PolarHBondContact O-N 3.47Å; L186-C258 HydrophobicContact CB-CB 4.34Å; L187-C258 HydrophobicContact CG-CB 4.44Å
259	S	98.3	Very high	95.7	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	145.2	178.2	-175.5	0	0	0	0	111.2	A137 M165 A261 S264	A137-S259 PolarHBondContact N-O 3.25Å; A137-S259 PolarHBondContact O-N 3.35Å; M165-S259 WeakPolarHBondContact CG-OG 3.49Å; S259-A261 PolarHBondContact OG-N 3.32Å; S259-S264 WeakPolarHBondContact CB-OG 3.3Å; S259-S264 PolarHBondContact OG-OG 3.01Å
260	T	97.7	Very high	96.1	Very high	5 Å²	5	30.1 Å²	30.1	3%	0.031	14%	0.14	C	C	.	.			trans	-104.8	-9	166	57.2	0	0	0	0	112.1	S133 G135 T136 T163 D164 F183	S133-T260 VanDerWaalsContact CB-O 3.28Å; S133-T260 WeakPolarHBondContact CB-O 3.26Å; S133-T260 PolarHBondContact OG-O 3.06Å; G135-T260 WeakPolarHBondContact O-CA 3.45Å; T136-T260 HydrophobicContact CG2-CG2 3.9Å; T136-T260 WeakPolarHBondContact OG1-CG2 3.09Å; T163-T260 PolarHBondContact N-OG1 3.27Å; D164-T260 PolarHBondContact N-OG1 3.11Å; D164-T260 PolarHBondContact O-N 3.48Å; D164-T260 PolarHBondContact O-OG1 3.12Å; F183-T260 HydrophobicContact CD1-CG2 4.45Å
261	A	95.6	Very high	96.8	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.008	10%	0.097	C	C	.	.	S	Bend	trans	-81.5	134.5	-174.9	0	0	0	0	0	111.4	Y161 M165 S259 S264	Y161-A261 HydrophobicContact CD1-CB 4.16Å; Y161-A261 HydrophobicContact CD2-CB 4.21Å; Y161-A261 HydrophobicContact CE1-CB 4.03Å; Y161-A261 HydrophobicContact CE2-CB 4.1Å; Y161-A261 HydrophobicContact CG-CB 4.26Å; Y161-A261 WeakPolarHBondContact O-CB 3.48Å; M165-A261 HydrophobicContact CG-CB 4.24Å; M165-A261 HydrophobicContact SD-CB 3.89Å; S259-A261 PolarHBondContact OG-N 3.32Å; A261-S264 WeakPolarHBondContact O-CB 3.42Å; A261-S264 PolarHBondContact O-OG 2.89Å
262	A	95.1	Very high	97.1	Very high	20 Å²	20	19.6 Å²	19.6	17%	0.165	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	149	171.6	0	0	0	0	0	110.6	Y161 S264	Y161-A262 PolarHBondContact OH-O 2.98Å; A262-S264 PolarHBondContact O-N 2.75Å
263	K	95.1	Very high	97.1	Very high	142 Å²	142	16.7 Å²	16.7	62%	0.617	9%	0.087	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.8	31.2	174	-59.8	-179.3	179.7	-178.4	0	113.4	F128 H129 S130 D131	F128-K263 PolarHBondContact O-N 3.43Å; H129-K263 PolarHBondContact O-N 2.74Å; S130-K263 VanDerWaalsContact O-CE 3.3Å; S130-K263 WeakPolarHBondContact O-CE 3.5Å; S130-K263 VanDerWaalsContact O-CG 3.3Å; S130-K263 WeakPolarHBondContact O-CG 3.42Å; D131-K263 WeakPolarHBondContact O-CE 3.42Å
264	S	95.9	Very high	97	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	147.1	-177.7	60.9	0	0	0	0	110	S127 F128 S158 S259 A261 A262	S127-S264 CarbonylContact C-O 3.58Å; S127-S264 VanDerWaalsContact CA-O 3.32Å; S127-S264 WeakPolarHBondContact CA-O 3Å; F128-S264 PolarHBondContact N-O 3.36Å; F128-S264 PolarHBondContact O-N 3.19Å; S158-S264 VanDerWaalsContact OG-CA 3.27Å; S158-S264 WeakPolarHBondContact OG-CA 3.45Å; S259-S264 WeakPolarHBondContact CB-OG 3.3Å; S259-S264 PolarHBondContact OG-OG 3.01Å; A261-S264 WeakPolarHBondContact O-CB 3.42Å; A261-S264 PolarHBondContact O-OG 2.89Å; A262-S264 PolarHBondContact O-N 2.75Å
265	S	96.6	Very high	96.8	Very high	10 Å²	10	19.7 Å²	19.7	7%	0.07	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	145.2	-179.4	60.9	0	0	0	0	113.1	V126 T157 S158	V126-S265 CarbonylContact O-C 3.59Å; V126-S265 WeakPolarHBondContact O-CA 3.36Å; V126-S265 WeakPolarHBondContact O-CB 3.35Å; T157-S265 PolarHBondContact N-O 2.98Å; T157-S265 VanDerWaalsContact OG1-C 3.25Å; T157-S265 WeakPolarHBondContact OG1-CB 3.44Å; T157-S265 PolarHBondContact OG1-O 2.9Å; T157-S265 PolarHBondContact OG1-OG 2.88Å; S158-S265 PolarHBondContact OG-N 3.14Å
266	M	97.8	Very high	96.6	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	145.8	177.4	-58.8	-180	-171.6	0	0	109	K125 V126 F128 I154 K155 M156 M165 V167 A257	K125-M266 WeakPolarHBondContact CA-O 3.46Å; V126-M266 HydrophobicContact CG1-CB 4.06Å; V126-M266 WeakPolarHBondContact CG1-O 3.33Å; V126-M266 PolarHBondContact N-O 3.07Å; V126-M266 PolarHBondContact O-N 3.11Å; F128-M266 HydrophobicContact CE2-CE 4.46Å; F128-M266 HydrophobicContact CE2-CG 4.28Å; F128-M266 HydrophobicContact CE2-SD 4.21Å; I154-M266 HydrophobicContact CG2-CB 3.79Å; I154-M266 HydrophobicContact CG2-CG 4.45Å; I154-M266 HydrophobicContact CG2-SD 4.41Å; K155-M266 CarbonylContact O-C 3.51Å; K155-M266 WeakPolarHBondContact O-CA 3.27Å; M156-M266 HydrophobicContact CE-SD 4.47Å; M156-M266 HydrophobicContact SD-CE 4.1Å; M156-M266 HydrophobicContact SD-CG 3.88Å; M156-M266 HydrophobicContact SD-SD 4.16Å; M165-M266 HydrophobicContact CB-CE 3.77Å; M165-M266 HydrophobicContact CE-CE 3.44Å; M165-M266 VanDerWaalsContact CE-CE 3.44Å; M165-M266 HydrophobicContact CE-CG 4.32Å; M165-M266 HydrophobicContact CG-CE 4.18Å; V167-M266 HydrophobicContact CG2-SD 4.24Å; A257-M266 HydrophobicContact CB-SD 3.8Å
267	K	98.1	Very high	96.4	Very high	14 Å²	14	23.8 Å²	23.8	6%	0.061	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	131.7	-178.2	-174.4	178.1	176.4	-175.7	0	111.8	E99 R124 K125 I154 K155 T157 I269	E99-K267 IonicContact OE1-NZ 3.99Å; E99-K267 IonicContact OE2-NZ 3.14Å; E99-K267 PolarHBondContact OE2-NZ 2.88Å; R124-K267 HydrophobicContact CB-CG 4.4Å; R124-K267 CarbonylContact O-C 3.56Å; R124-K267 VanDerWaalsContact O-CA 3.3Å; R124-K267 WeakPolarHBondContact O-CA 3.43Å; K125-K267 HydrophobicContact CB-CB 4.29Å; K125-K267 HydrophobicContact CB-CG 4.17Å; K125-K267 HydrophobicContact CG-CB 4.42Å; I154-K267 CarbonylContact C-O 3.47Å; I154-K267 WeakPolarHBondContact CA-O 3.34Å; K155-K267 PolarHBondContact N-O 2.89Å; K155-K267 PolarHBondContact O-N 2.84Å; T157-K267 HydrophobicContact CG2-CB 3.69Å; K267-I269 HydrophobicContact CB-CG2 4.36Å; K267-I269 HydrophobicContact CD-CG2 4.31Å; K267-I269 HydrophobicContact CG-CG2 4.12Å; K267-I269 PolarHBondContact O-N 2.84Å
268	V	98.4	Very high	96.2	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	117.4	165.1	-168.8	0	0	0	0	107.8	F104 W106 W108 R124 I154 R270	F104-V268 HydrophobicContact CD1-CG1 3.92Å; F104-V268 HydrophobicContact CE1-CG1 4.03Å; W106-V268 HydrophobicContact CH2-CG1 4.15Å; W106-V268 HydrophobicContact CH2-CG2 3.93Å; W106-V268 HydrophobicContact CZ3-CG1 4.39Å; W106-V268 HydrophobicContact CZ3-CG2 3.74Å; W108-V268 HydrophobicContact CD2-CG2 3.99Å; W108-V268 HydrophobicContact CG-CG2 4.39Å; W108-V268 HydrophobicContact CH2-CG2 4.32Å; W108-V268 HydrophobicContact CZ2-CG2 3.61Å; R124-V268 HydrophobicContact CB-CB 4.5Å; R124-V268 PolarHBondContact O-N 2.98Å; I154-V268 HydrophobicContact CD1-CB 4.14Å; I154-V268 HydrophobicContact CD1-CG1 4.3Å; I154-V268 HydrophobicContact CD1-CG2 3.71Å; V268-R270 WeakPolarHBondContact CG1-O 3.42Å
269	I	97.3	Very high	95.9	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	-13.7	-179.6	64	164.3	0	0	0	112.5	E99 F104 E153 K155 I220 K267	E99-I269 HydrophobicContact CG-CB 4.25Å; E99-I269 HydrophobicContact CG-CG2 3.73Å; F104-I269 VanDerWaalsContact CE1-C 3.42Å; E153-I269 HydrophobicContact CB-CD1 3.98Å; E153-I269 HydrophobicContact CB-CG1 3.59Å; E153-I269 WeakPolarHBondContact O-CG1 3.26Å; E153-I269 PolarHBondContact O-N 3.06Å; K155-I269 HydrophobicContact CB-CD1 4.2Å; K155-I269 HydrophobicContact CB-CG1 4.49Å; K155-I269 HydrophobicContact CB-CG2 3.69Å; K155-I269 HydrophobicContact CD-CG2 4.4Å; I220-I269 HydrophobicContact CD1-CD1 3.6Å; I220-I269 HydrophobicContact CG1-CD1 3.87Å; I220-I269 HydrophobicContact CG2-CD1 3.84Å; K267-I269 HydrophobicContact CB-CG2 4.36Å; K267-I269 HydrophobicContact CD-CG2 4.31Å; K267-I269 HydrophobicContact CG-CG2 4.12Å; K267-I269 PolarHBondContact O-N 2.84Å
270	R	96.3	Very high	95.8	Very high	21 Å²	21	35 Å²	35	8%	0.079	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	142.9	169.9	172.2	171.9	-69.4	145	-0.5	109.8	D101 F151 W152 E153 V268	D101-R270 IonicContact OD1-CZ 3.92Å; D101-R270 IonicContact OD1-NE 3.9Å; D101-R270 PolarHBondContact OD1-NE 2.91Å; D101-R270 IonicContact OD1-NH2 2.78Å; D101-R270 PolarHBondContact OD1-NH2 2.77Å; D101-R270 VanDerWaalsContact OD2-CG 3.3Å; D101-R270 WeakPolarHBondContact OD2-CG 3.39Å; D101-R270 IonicContact OD2-CZ 2.96Å; D101-R270 IonicContact OD2-NE 3.74Å; D101-R270 PolarHBondContact OD2-NE 3.46Å; D101-R270 IonicContact OD2-NH2 2.75Å; F151-R270 HydrophobicContact CD1-CG 4.44Å; W152-R270 CarbonylContact C-O 3.53Å; W152-R270 WeakPolarHBondContact CA-O 3.25Å; W152-R270 WeakPolarHBondContact CB-O 3.36Å; E153-R270 HydrophobicContact CB-CB 4.04Å; E153-R270 HydrophobicContact CG-CB 4.27Å; E153-R270 PolarHBondContact N-O 3.36Å; E153-R270 IonicContact OE1-NH1 3.75Å; E153-R270 PolarHBondContact OE1-NH1 2.78Å; E153-R270 VanDerWaalsContact OE1-NH1 3.14Å; E153-R270 IonicContact OE2-CZ 3.85Å; E153-R270 IonicContact OE2-NH1 2.74Å; E153-R270 PolarHBondContact OE2-NH1 3.36Å; V268-R270 WeakPolarHBondContact CG1-O 3.42Å
271	S	96.7	Very high	95.6	Very high	2 Å²	2	37.7 Å²	37.7	1%	0.014	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	108.1	169.8	162.1	0	0	0	0	109.2	D105 W106	D105-S271 PolarHBondContact N-O 3.02Å; D105-S271 PolarHBondContact N-OG 2.75Å; W106-S271 PolarHBondContact N-OG 2.95Å; W106-S271 VanDerWaalsContact N-OG 3.11Å; W106-S271 PolarHBondContact NE1-OG 2.96Å
272	C	94.7	Very high	95.4	Very high	26 Å²	26	40.6 Å²	40.6	18%	0.176	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	154.3	-178.8	57.8	0	0	0	0	112.1	D105 F151 W316	D105-C272 VanDerWaalsContact OD2-C 3.27Å; D105-C272 WeakPolarHBondContact OD2-CA 3.47Å; F151-C272 PolarHBondContact N-O 3.18Å; F151-C272 PolarHBondContact O-N 3.1Å; F151-C272 VanDerWaalsContact O-O 3.12Å; F151-C272 PolarHBondContact O-SG 3.26Å; C272-W316 VanDerWaalsContact SG-CG 3.56Å
273	S	94.8	Very high	95.3	Very high	55 Å²	55	39.8 Å²	39.8	39%	0.385	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	151.8	178.9	68.1	0	0	0	0	110.7	D105 Q149 H150	D105-S273 WeakPolarHBondContact OD2-CA 3.28Å; D105-S273 WeakPolarHBondContact OD2-CB 3.48Å; D105-S273 PolarHBondContact OD2-N 3.27Å; D105-S273 PolarHBondContact OD2-OG 3.01Å; Q149-S273 CarbonylContact O-C 3.58Å; Q149-S273 WeakPolarHBondContact O-CA 3.48Å; H150-S273 VanDerWaalsContact ND1-CB 3.34Å; H150-S273 WeakPolarHBondContact ND1-CB 3.44Å
274	T	94.7	Very high	95	Very high	21 Å²	21	33.8 Å²	33.8	13%	0.129	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	143.1	172.6	-164.5	0	0	0	0	110.2	Q149 Y280 L314 W316	Q149-T274 HydrophobicContact CB-CG2 3.96Å; Q149-T274 HydrophobicContact CG-CG2 4.38Å; Q149-T274 PolarHBondContact N-O 2.68Å; Q149-T274 PolarHBondContact O-N 3.14Å; T274-Y280 HydrophobicContact CG2-CD2 3.61Å; T274-Y280 HydrophobicContact CG2-CE2 4.24Å; T274-Y280 HydrophobicContact CG2-CG 4.29Å; T274-L314 HydrophobicContact CG2-CD2 3.72Å; T274-W316 HydrophobicContact CG2-CZ2 3.93Å
275	P	94.9	Very high	94.8	Very high	94 Å²	94	40.8 Å²	40.8	61%	0.61	23%	0.227	S	C	*	.			trans	-60.1	144.2	171.7	-22.3	33.2	0	0	0	111.1	S277	P275-S277 PolarHBondContact O-N 3.15Å; P275-S277 PolarHBondContact O-OG 2.99Å
276	T	94.6	Very high	94.4	Very high	44 Å²	44	43.3 Å²	43.3	27%	0.27	24%	0.239	S	C	.	.			trans	-65.7	98.4	169.9	-52.7	0	0	0	0	109.3	Q149 W228	Q149-T276 PolarHBondContact NE2-OG1 2.91Å; W228-T276 HydrophobicContact CB-CG2 4.22Å; W228-T276 HydrophobicContact CD2-CG2 3.67Å; W228-T276 HydrophobicContact CE3-CG2 3.31Å; W228-T276 HydrophobicContact CG-CG2 4.08Å; W228-T276 HydrophobicContact CZ3-CG2 3.86Å
277	S	94.8	Very high	93.9	Very high	42 Å²	42	43.5 Å²	43.5	29%	0.294	24%	0.24	S	C	.	.			trans	-124.2	162.7	-175.8	63.6	0	0	0	0	111	P275 L279 Y280 L281	P275-S277 PolarHBondContact O-N 3.15Å; P275-S277 PolarHBondContact O-OG 2.99Å; S277-L279 PolarHBondContact O-N 3.18Å; S277-Y280 WeakPolarHBondContact O-CB 3.35Å; S277-Y280 PolarHBondContact O-N 3.13Å; S277-Y280 VanDerWaalsContact O-N 3.11Å; S277-Y280 PolarHBondContact OG-N 2.96Å; S277-L281 WeakPolarHBondContact O-CG 3.36Å; S277-L281 PolarHBondContact O-N 3.12Å
278	L	94.4	Very high	93.3	Very high	137 Å²	137	51.2 Å²	51.2	72%	0.717	27%	0.269	S	S	*	.	H	α-helix	trans	-55.8	-37.4	172.8	-178.8	62.8	0	0	0	111.6	L281 C282	L278-L281 PolarHBondContact O-N 3.37Å; L278-C282 WeakPolarHBondContact O-CB 3.36Å; L278-C282 PolarHBondContact O-N 3.09Å; L278-C282 PolarHBondContact O-SG 3.17Å
279	L	93	Very high	92.7	Very high	83 Å²	83	56.5 Å²	56.5	44%	0.435	30%	0.296	S	S	.	.	H	α-helix	trans	-60.3	-49.2	176.2	-177.1	63.7	0	0	0	111.3	S277 L281 C282 C283 L310 L314	S277-L279 PolarHBondContact O-N 3.18Å; L279-L281 PolarHBondContact O-N 3.44Å; L279-C282 PolarHBondContact O-N 2.66Å; L279-C283 PolarHBondContact O-N 3.42Å; L279-C283 PolarHBondContact O-SG 3.3Å; L279-C283 VanDerWaalsContact O-SG 3.42Å; L279-L310 HydrophobicContact CD1-CD2 3.92Å; L279-L310 HydrophobicContact CD2-CD2 4.43Å; L279-L310 HydrophobicContact CG-CD2 4.36Å; L279-L314 HydrophobicContact CD2-CD1 4.01Å; L279-L314 HydrophobicContact CG-CD1 3.74Å
280	Y	94.4	Very high	92	Very high	16 Å²	16	58.1 Å²	58.1	6%	0.063	31%	0.305	C	S	.	.	H	α-helix	trans	-57.2	-49.8	174.6	167.6	-92.6	0	0	0	111.3	Q149 H224 T274 S277 C282 C283 A284 L314 W316 V317	Q149-Y280 HydrophobicContact CB-CD2 4.43Å; Q149-Y280 HydrophobicContact CB-CE2 3.9Å; Q149-Y280 HydrophobicContact CG-CD1 3.99Å; Q149-Y280 HydrophobicContact CG-CD2 4.03Å; Q149-Y280 HydrophobicContact CG-CE1 3.61Å; Q149-Y280 HydrophobicContact CG-CE2 3.62Å; Q149-Y280 HydrophobicContact CG-CG 4.2Å; Q149-Y280 VanDerWaalsContact CG-CZ 3.41Å; Q149-Y280 PolarHBondContact OE1-OH 3.04Å; H224-Y280 PolarHBondContact NE2-OH 3.42Å; T274-Y280 HydrophobicContact CG2-CD2 3.61Å; T274-Y280 HydrophobicContact CG2-CE2 4.24Å; T274-Y280 HydrophobicContact CG2-CG 4.29Å; S277-Y280 WeakPolarHBondContact O-CB 3.35Å; S277-Y280 PolarHBondContact O-N 3.13Å; S277-Y280 VanDerWaalsContact O-N 3.11Å; S277-Y280 PolarHBondContact OG-N 2.96Å; Y280-C282 VanDerWaalsContact C-N 3.3Å; Y280-C282 PolarHBondContact O-N 3Å; Y280-C283 PolarHBondContact O-N 3.34Å; Y280-C283 VanDerWaalsContact O-N 3.12Å; Y280-A284 HydrophobicContact CE1-CB 4.34Å; Y280-A284 WeakPolarHBondContact O-CB 3.14Å; Y280-A284 PolarHBondContact O-N 2.83Å; Y280-L314 HydrophobicContact CD2-CD2 4.14Å; Y280-W316 AromaticContact CE2-CH2 3.9Å; Y280-W316 HydrophobicContact CE2-CH2 3.9Å; Y280-W316 HydrophobicContact CE2-CZ2 4.12Å; Y280-V317 HydrophobicContact CD2-CG2 3.86Å; Y280-V317 HydrophobicContact CE2-CG1 4.23Å; Y280-V317 HydrophobicContact CE2-CG2 3.66Å
281	L	93.9	Very high	91.3	Very high	62 Å²	62	60.6 Å²	60.6	33%	0.325	32%	0.323	S	S	.	.	H	α-helix	trans	-61.8	-38.4	-178.2	-66.3	173.7	0	0	0	112.1	W228 S277 L278 L279 R285	W228-L281 HydrophobicContact CH2-CD1 4.36Å; W228-L281 HydrophobicContact CZ3-CD1 4.15Å; W228-L281 HydrophobicContact CZ3-CD2 3.9Å; S277-L281 WeakPolarHBondContact O-CG 3.36Å; S277-L281 PolarHBondContact O-N 3.12Å; L278-L281 PolarHBondContact O-N 3.37Å; L279-L281 PolarHBondContact O-N 3.44Å; L281-R285 VanDerWaalsContact O-CB 3.28Å; L281-R285 WeakPolarHBondContact O-CB 3.16Å; L281-R285 PolarHBondContact O-N 3.35Å
282	C	92.1	Very high	90.2	Very high	62 Å²	62	63.2 Å²	63.2	42%	0.419	34%	0.337	S	S	.	.	H	α-helix	trans	-63.1	-47.7	172.8	-74.9	0	0	0	0	111.6	L278 L279 Y280 R285 L286	L278-C282 WeakPolarHBondContact O-CB 3.36Å; L278-C282 PolarHBondContact O-N 3.09Å; L278-C282 PolarHBondContact O-SG 3.17Å; L279-C282 PolarHBondContact O-N 2.66Å; Y280-C282 VanDerWaalsContact C-N 3.3Å; Y280-C282 PolarHBondContact O-N 3Å; C282-R285 PolarHBondContact O-N 3.42Å; C282-L286 WeakPolarHBondContact O-CB 3.48Å; C282-L286 VanDerWaalsContact O-CG 3.29Å; C282-L286 WeakPolarHBondContact O-CG 3.45Å; C282-L286 PolarHBondContact O-N 2.92Å
283	C	91.9	Very high	88.8	Confident	3 Å²	3	67.7 Å²	67.7	2%	0.02	37%	0.368	C	S	.	.	H	α-helix	trans	-62.2	-45.4	177.5	-72.7	0	0	0	0	112.2	L279 Y280 R285 L286 R287 L314 V317 L318	L279-C283 PolarHBondContact O-N 3.42Å; L279-C283 PolarHBondContact O-SG 3.3Å; L279-C283 VanDerWaalsContact O-SG 3.42Å; Y280-C283 PolarHBondContact O-N 3.34Å; Y280-C283 VanDerWaalsContact O-N 3.12Å; C283-R285 VanDerWaalsContact C-N 3.31Å; C283-R285 PolarHBondContact O-N 2.87Å; C283-L286 PolarHBondContact O-N 3.26Å; C283-R287 PolarHBondContact O-N 3.17Å; C283-L314 HydrophobicContact CB-CD1 4.16Å; C283-V317 HydrophobicContact CB-CG1 4.26Å; C283-L318 HydrophobicContact CB-CD2 3.78Å; C283-L318 HydrophobicContact CB-CG 4.41Å
284	A	90.5	Very high	87.8	Confident	17 Å²	17	69 Å²	69	14%	0.14	37%	0.369	C	S	.	.	H	α-helix	trans	-61.1	-40.8	176	0	0	0	0	0	111.5	Y280 R287 R288 V317	Y280-A284 HydrophobicContact CE1-CB 4.34Å; Y280-A284 WeakPolarHBondContact O-CB 3.14Å; Y280-A284 PolarHBondContact O-N 2.83Å; A284-R287 PolarHBondContact O-N 2.95Å; A284-R288 WeakPolarHBondContact O-CG 3.44Å; A284-R288 PolarHBondContact O-N 3.41Å; A284-V317 HydrophobicContact CB-CG1 4.03Å
285	R	90.3	Very high	87	Confident	147 Å²	147	71.8 Å²	71.8	56%	0.555	38%	0.383	S	S	*	.	H	α-helix	trans	-67	-43.6	175.4	-177.9	55.8	176.4	168.2	-0.3	112	L281 C282 C283 R287 R288 L289	L281-R285 VanDerWaalsContact O-CB 3.28Å; L281-R285 WeakPolarHBondContact O-CB 3.16Å; L281-R285 PolarHBondContact O-N 3.35Å; C282-R285 PolarHBondContact O-N 3.42Å; C283-R285 VanDerWaalsContact C-N 3.31Å; C283-R285 PolarHBondContact O-N 2.87Å; R285-R287 VanDerWaalsContact C-N 3.3Å; R285-R287 PolarHBondContact O-N 2.97Å; R285-R288 PolarHBondContact O-N 3.2Å; R285-L289 HydrophobicContact CG-CD1 4.26Å; R285-L289 WeakPolarHBondContact O-CG 3.46Å; R285-L289 PolarHBondContact O-N 2.85Å
286	L	88.5	Confident	86.1	Confident	62 Å²	62	67.4 Å²	67.4	33%	0.325	35%	0.354	S	S	.	.	H	α-helix	trans	-57.9	-45.5	176.1	-77.7	169.4	0	0	0	110.7	C282 C283 R288 L289 L290 T296 L300	C282-L286 WeakPolarHBondContact O-CB 3.48Å; C282-L286 VanDerWaalsContact O-CG 3.29Å; C282-L286 WeakPolarHBondContact O-CG 3.45Å; C282-L286 PolarHBondContact O-N 2.92Å; C283-L286 PolarHBondContact O-N 3.26Å; L286-R288 VanDerWaalsContact C-N 3.31Å; L286-R288 PolarHBondContact O-N 3.03Å; L286-L289 PolarHBondContact O-N 3.06Å; L286-L290 PolarHBondContact O-N 3.13Å; L286-T296 HydrophobicContact CB-CG2 4.48Å; L286-L300 HydrophobicContact CD1-CD1 4.07Å; L286-L300 HydrophobicContact CD2-CD1 4.4Å
287	R	87.1	Confident	85.5	Confident	5 Å²	5	65.5 Å²	65.5	2%	0.019	34%	0.343	C	S	.	.	H	α-helix	trans	-59.9	-42.1	179.5	-178	56.4	-171.2	85.3	-2.5	112.4	C283 A284 R285 L289 L290 D292 L318 L320 N321	C283-R287 PolarHBondContact O-N 3.17Å; A284-R287 PolarHBondContact O-N 2.95Å; R285-R287 VanDerWaalsContact C-N 3.3Å; R285-R287 PolarHBondContact O-N 2.97Å; R287-L289 PolarHBondContact O-N 2.65Å; R287-L290 PolarHBondContact NH1-O 3.36Å; R287-L290 VanDerWaalsContact NH1-O 3.1Å; R287-L290 PolarHBondContact O-N 2.83Å; R287-D292 IonicContact CZ-OD1 3.01Å; R287-D292 IonicContact NH1-OD1 3.42Å; R287-D292 PolarHBondContact NH1-OD1 2.96Å; R287-D292 VanDerWaalsContact NH1-OD1 3.14Å; R287-D292 VanDerWaalsContact NH2-CA 3.34Å; R287-D292 IonicContact NH2-OD1 3.34Å; R287-D292 PolarHBondContact NH2-OD1 2.82Å; R287-L318 VanDerWaalsContact CD-O 3.29Å; R287-L318 WeakPolarHBondContact CD-O 3.49Å; R287-L320 VanDerWaalsContact CG-O 3.25Å; R287-L320 WeakPolarHBondContact CG-O 3.09Å; R287-L320 PolarHBondContact NE-O 3.06Å; R287-L320 PolarHBondContact NH2-O 3.03Å; R287-N321 VanDerWaalsContact NH2-CA 3.31Å; R287-N321 PolarHBondContact NH2-OD1 3.03Å
288	R	85.3	Confident	84.9	Confident	175 Å²	175	68.6 Å²	68.6	66%	0.66	36%	0.356	S	S	*	.	H	α-helix	trans	-66.1	-19.3	176.6	-70.7	178.9	-176.6	171.7	3.3	114.3	A284 R285 L286	A284-R288 WeakPolarHBondContact O-CG 3.44Å; A284-R288 PolarHBondContact O-N 3.41Å; R285-R288 PolarHBondContact O-N 3.2Å; L286-R288 VanDerWaalsContact C-N 3.31Å; L286-R288 PolarHBondContact O-N 3.03Å
289	L	85.9	Confident	84.4	Confident	111 Å²	111	65 Å²	65	58%	0.581	34%	0.339	S	S	*	.	H	α-helix	trans	-91.3	-15.1	179	-68.4	172.8	0	0	0	112.6	R285 L286 R287	R285-L289 HydrophobicContact CG-CD1 4.26Å; R285-L289 WeakPolarHBondContact O-CG 3.46Å; R285-L289 PolarHBondContact O-N 2.85Å; L286-L289 PolarHBondContact O-N 3.06Å; R287-L289 PolarHBondContact O-N 2.65Å
290	L	83.1	Confident	84	Confident	35 Å²	35	63 Å²	63	18%	0.183	33%	0.329	C	S	.	.	S	Bend	trans	-99.7	146	-177.3	-71.2	170.9	0	0	0	111.7	L286 R287 T296 V299	L286-L290 PolarHBondContact O-N 3.13Å; R287-L290 PolarHBondContact NH1-O 3.36Å; R287-L290 VanDerWaalsContact NH1-O 3.1Å; R287-L290 PolarHBondContact O-N 2.83Å; L290-T296 HydrophobicContact CD1-CG2 3.38Å; L290-T296 WeakPolarHBondContact CD1-OG1 3.46Å; L290-V299 HydrophobicContact CD2-CG1 4.37Å
291	P	81.1	Confident	83.7	Confident	73 Å²	73	68.4 Å²	68.4	47%	0.474	37%	0.366	S	S	.	.			trans	-60.5	149.9	174.7	-20.6	32.1	0	0	0	112.6	C293 M294	P291-C293 PolarHBondContact O-N 2.7Å; P291-M294 HydrophobicContact CB-CG 4.36Å; P291-M294 HydrophobicContact CG-SD 4.39Å; P291-M294 PolarHBondContact O-N 2.73Å
292	D	73.6	Confident	83.4	Confident	57 Å²	57	67.3 Å²	67.3	31%	0.305	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-18.3	-174.2	-80.7	-16.1	0	0	0	115.9	R287 M294 N321 S322	R287-D292 IonicContact CZ-OD1 3.01Å; R287-D292 IonicContact NH1-OD1 3.42Å; R287-D292 PolarHBondContact NH1-OD1 2.96Å; R287-D292 VanDerWaalsContact NH1-OD1 3.14Å; R287-D292 VanDerWaalsContact NH2-CA 3.34Å; R287-D292 IonicContact NH2-OD1 3.34Å; R287-D292 PolarHBondContact NH2-OD1 2.82Å; D292-M294 VanDerWaalsContact C-N 3.33Å; D292-N321 HydrophobicContact CB-CB 4.44Å; D292-N321 PolarHBondContact O-OD1 2.88Å; D292-S322 PolarHBondContact OD1-N 3.43Å; D292-S322 VanDerWaalsContact OD1-N 3.11Å; D292-S322 VanDerWaalsContact OD2-O 3.12Å
293	C	66.3	Low	83.4	Confident	120 Å²	120	68.2 Å²	68.2	81%	0.811	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-5.3	178.9	60.1	0	0	0	0	113.9	P291	P291-C293 PolarHBondContact O-N 2.7Å
294	M	73.5	Confident	83.4	Confident	84 Å²	84	73.2 Å²	73.2	41%	0.414	40%	0.398	S	S	.	.	S	Bend	trans	-108.9	132	-171.7	-56.9	-159	84.6	0	0	112	P291 D292 T296 V299	P291-M294 HydrophobicContact CB-CG 4.36Å; P291-M294 HydrophobicContact CG-SD 4.39Å; P291-M294 PolarHBondContact O-N 2.73Å; D292-M294 VanDerWaalsContact C-N 3.33Å; M294-T296 PolarHBondContact O-N 3.15Å; M294-V299 HydrophobicContact CB-CG2 3.92Å; M294-V299 HydrophobicContact CE-CG2 3.3Å; M294-V299 HydrophobicContact CG-CG2 4.46Å; M294-V299 HydrophobicContact SD-CG2 3.86Å
295	D	76.9	Confident	83.5	Confident	79 Å²	79	75 Å²	75	42%	0.422	42%	0.417	S	S	.	.			trans	-70.1	118.7	164.7	-172.2	-19.1	0	0	0	109.1	L297 D298 V299	D295-L297 PolarHBondContact O-N 2.81Å; D295-L297 WeakPolarHBondContact OD1-CB 3.44Å; D295-L297 PolarHBondContact OD1-N 2.97Å; D295-D298 HydrophobicContact CB-CB 4.19Å; D295-D298 PolarHBondContact O-N 3.06Å; D295-D298 VanDerWaalsContact O-N 3.12Å; D295-V299 WeakPolarHBondContact O-CG2 3.33Å; D295-V299 PolarHBondContact O-N 2.9Å
296	T	77.6	Confident	83.5	Confident	1 Å²	1	71.6 Å²	71.6	1%	0.006	41%	0.41	C	S	.	.	H	α-helix	trans	-56.4	-37	179.7	-57.9	0	0	0	0	112	L286 L290 M294 D298 L300 L318	L286-T296 HydrophobicContact CB-CG2 4.48Å; L290-T296 HydrophobicContact CD1-CG2 3.38Å; L290-T296 WeakPolarHBondContact CD1-OG1 3.46Å; M294-T296 PolarHBondContact O-N 3.15Å; T296-D298 VanDerWaalsContact C-N 3.32Å; T296-D298 PolarHBondContact O-N 3.02Å; T296-L300 HydrophobicContact CG2-CD1 3.68Å; T296-L300 HydrophobicContact CG2-CG 4.4Å; T296-L300 WeakPolarHBondContact O-CG 3.33Å; T296-L300 PolarHBondContact O-N 3.48Å; T296-L318 HydrophobicContact CG2-CD2 3.75Å; T296-L318 PolarHBondContact OG1-O 3.31Å
297	L	82	Confident	83.6	Confident	5 Å²	5	72.1 Å²	72.1	3%	0.026	41%	0.407	C	S	.	.	H	α-helix	trans	-69.3	-33.9	-177.9	-68.4	177.9	0	0	0	111.3	D295 L302 R307 L310 H311 L318	D295-L297 PolarHBondContact O-N 2.81Å; D295-L297 WeakPolarHBondContact OD1-CB 3.44Å; D295-L297 PolarHBondContact OD1-N 2.97Å; L297-L302 HydrophobicContact CD2-CD1 3.96Å; L297-R307 HydrophobicContact CB-CG 4.42Å; L297-R307 PolarHBondContact O-NH1 3.48Å; L297-R307 PolarHBondContact O-NH2 3.43Å; L297-L310 HydrophobicContact CD2-CB 3.81Å; L297-L310 HydrophobicContact CD2-CD1 4.21Å; L297-H311 HydrophobicContact CD1-CB 3.67Å; L297-L318 HydrophobicContact CD1-CD1 4.27Å; L297-L318 HydrophobicContact CD2-CD1 3.43Å; L297-L318 VanDerWaalsContact CD2-CD1 3.43Å; L297-L318 HydrophobicContact CG-CD1 3.73Å
298	D	80.7	Confident	83.7	Confident	107 Å²	107	77 Å²	77	57%	0.572	43%	0.43	S	S	*	.	H	α-helix	trans	-75	-35.8	-179.6	-73.8	-20.8	0	0	0	113.7	D295 T296 R307	D295-D298 HydrophobicContact CB-CB 4.19Å; D295-D298 PolarHBondContact O-N 3.06Å; D295-D298 VanDerWaalsContact O-N 3.12Å; T296-D298 VanDerWaalsContact C-N 3.32Å; T296-D298 PolarHBondContact O-N 3.02Å; D298-R307 IonicContact OD1-CZ 2.73Å; D298-R307 IonicContact OD1-NH1 3.14Å; D298-R307 PolarHBondContact OD1-NH1 3.4Å
299	V	84.4	Confident	84	Confident	61 Å²	61	71.7 Å²	71.7	37%	0.37	42%	0.418	S	S	.	.	H	α-helix	trans	-74.6	-36	-177.9	179.5	0	0	0	0	112.4	L290 M294 D295	L290-V299 HydrophobicContact CD2-CG1 4.37Å; M294-V299 HydrophobicContact CB-CG2 3.92Å; M294-V299 HydrophobicContact CE-CG2 3.3Å; M294-V299 HydrophobicContact CG-CG2 4.46Å; M294-V299 HydrophobicContact SD-CG2 3.86Å; D295-V299 WeakPolarHBondContact O-CG2 3.33Å; D295-V299 PolarHBondContact O-N 2.9Å
300	L	84.4	Confident	84.2	Confident	40 Å²	40	67 Å²	67	21%	0.209	39%	0.393	C	S	.	.	S	Bend	trans	-81.3	134.5	-174.4	-65.3	175.3	0	0	0	111.1	L286 T296 L302	L286-L300 HydrophobicContact CD1-CD1 4.07Å; L286-L300 HydrophobicContact CD2-CD1 4.4Å; T296-L300 HydrophobicContact CG2-CD1 3.68Å; T296-L300 HydrophobicContact CG2-CG 4.4Å; T296-L300 WeakPolarHBondContact O-CG 3.33Å; T296-L300 PolarHBondContact O-N 3.48Å; L300-L302 HydrophobicContact CB-CD1 4.01Å; L300-L302 HydrophobicContact CB-CD2 4.09Å; L300-L302 HydrophobicContact CB-CG 3.66Å; L300-L302 HydrophobicContact CD1-CD1 4.42Å; L300-L302 PolarHBondContact O-N 3.45Å
301	P	87.6	Confident	84.5	Confident	130 Å²	130	70.3 Å²	70.3	84%	0.844	41%	0.407	S	S	*	.			trans	-76.6	64.6	176.1	33.1	-35.9	0	0	0	110.7
302	L	88.5	Confident	84.7	Confident	40 Å²	40	72 Å²	72	21%	0.209	41%	0.412	C	S	.	.			trans	-85.8	139.8	-178.5	-59.1	174.9	0	0	0	110.7	L297 L300 L306 R307 L310	L297-L302 HydrophobicContact CD2-CD1 3.96Å; L300-L302 HydrophobicContact CB-CD1 4.01Å; L300-L302 HydrophobicContact CB-CD2 4.09Å; L300-L302 HydrophobicContact CB-CG 3.66Å; L300-L302 HydrophobicContact CD1-CD1 4.42Å; L300-L302 PolarHBondContact O-N 3.45Å; L302-L306 HydrophobicContact CD2-CD2 4.1Å; L302-R307 HydrophobicContact CB-CB 4.31Å; L302-L310 HydrophobicContact CD1-CD1 3.86Å
303	P	93.2	Very high	85.3	Confident	80 Å²	80	76 Å²	76	52%	0.519	43%	0.427	S	S	.	.			trans	-54.2	142.3	168.3	-24.6	33.9	0	0	0	111	G305 L306 R307	P303-G305 VanDerWaalsContact C-N 3.25Å; P303-G305 PolarHBondContact O-N 3.33Å; P303-G305 VanDerWaalsContact O-N 3.14Å; P303-L306 PolarHBondContact O-N 3.48Å; P303-R307 PolarHBondContact O-N 2.84Å
304	P	90.5	Very high	86.4	Confident	109 Å²	109	70.3 Å²	70.3	71%	0.708	39%	0.389	S	S	*	.	H	α-helix	trans	-53.5	-39.9	-175.5	-28.5	34.6	0	0	0	113.9	R307 Q308	P304-R307 PolarHBondContact O-N 2.72Å; P304-Q308 PolarHBondContact O-N 3.34Å
305	G	92.4	Very high	87.1	Confident	53 Å²	53	67 Å²	67	55%	0.546	38%	0.376	S	S	.	.	H	α-helix	trans	-63.6	-42.8	177.1	0	0	0	0	0	113.2	P303 Q308 V309	P303-G305 VanDerWaalsContact C-N 3.25Å; P303-G305 PolarHBondContact O-N 3.33Å; P303-G305 VanDerWaalsContact O-N 3.14Å; G305-Q308 PolarHBondContact O-N 3.25Å; G305-V309 VanDerWaalsContact O-CG2 3.31Å; G305-V309 WeakPolarHBondContact O-CG2 3.32Å; G305-V309 PolarHBondContact O-N 3.38Å; G305-V309 VanDerWaalsContact O-N 3.07Å
306	L	90.5	Very high	87.5	Confident	76 Å²	76	64.1 Å²	64.1	40%	0.398	36%	0.359	S	S	.	.	H	α-helix	trans	-68.3	-41.2	177.4	179.9	59.7	0	0	0	111.1	L302 P303 Q308 V309 L310	L302-L306 HydrophobicContact CD2-CD2 4.1Å; P303-L306 PolarHBondContact O-N 3.48Å; L306-Q308 VanDerWaalsContact C-N 3.33Å; L306-Q308 PolarHBondContact O-N 2.96Å; L306-V309 PolarHBondContact O-N 2.72Å; L306-L310 HydrophobicContact CD1-CD1 4.34Å; L306-L310 HydrophobicContact CD1-CG 4.07Å; L306-L310 HydrophobicContact CG-CD1 4.2Å; L306-L310 HydrophobicContact CG-CG 4.33Å; L306-L310 WeakPolarHBondContact O-CB 3.49Å; L306-L310 WeakPolarHBondContact O-CG 3.38Å; L306-L310 PolarHBondContact O-N 3.29Å
307	R	90.9	Very high	88.1	Confident	73 Å²	73	64.2 Å²	64.2	28%	0.275	36%	0.36	S	S	.	.	H	α-helix	trans	-55.6	-48.5	174.6	179.1	-173.6	-77.1	-109.7	3.4	111	L297 D298 L302 P303 P304 V309 L310 H311	L297-R307 HydrophobicContact CB-CG 4.42Å; L297-R307 PolarHBondContact O-NH1 3.48Å; L297-R307 PolarHBondContact O-NH2 3.43Å; D298-R307 IonicContact OD1-CZ 2.73Å; D298-R307 IonicContact OD1-NH1 3.14Å; D298-R307 PolarHBondContact OD1-NH1 3.4Å; L302-R307 HydrophobicContact CB-CB 4.31Å; P303-R307 PolarHBondContact O-N 2.84Å; P304-R307 PolarHBondContact O-N 2.72Å; R307-V309 PolarHBondContact O-N 3.07Å; R307-L310 PolarHBondContact O-N 3.48Å; R307-H311 WeakPolarHBondContact O-CB 3.45Å; R307-H311 PolarHBondContact O-N 2.83Å
308	Q	90.1	Very high	88.3	Confident	107 Å²	107	64.2 Å²	64.2	50%	0.5	36%	0.36	S	S	.	.	H	α-helix	trans	-62.3	-43	178.5	-169.8	66.3	46.9	0	0	112.2	P304 G305 L306 H311 N312	P304-Q308 PolarHBondContact O-N 3.34Å; G305-Q308 PolarHBondContact O-N 3.25Å; L306-Q308 VanDerWaalsContact C-N 3.33Å; L306-Q308 PolarHBondContact O-N 2.96Å; Q308-H311 PolarHBondContact O-N 2.72Å; Q308-N312 PolarHBondContact NE2-ND2 2.8Å; Q308-N312 PolarHBondContact NE2-OD1 2.91Å; Q308-N312 WeakPolarHBondContact O-CB 3.33Å; Q308-N312 PolarHBondContact O-N 2.84Å; Q308-N312 PolarHBondContact O-OD1 3.3Å
309	V	90.6	Very high	88.4	Confident	65 Å²	65	61.8 Å²	61.8	39%	0.394	35%	0.351	S	S	.	.	H	α-helix	trans	-63.4	-44.5	178.4	170.2	0	0	0	0	111.2	G305 L306 R307 N312 K313	G305-V309 VanDerWaalsContact O-CG2 3.31Å; G305-V309 WeakPolarHBondContact O-CG2 3.32Å; G305-V309 PolarHBondContact O-N 3.38Å; G305-V309 VanDerWaalsContact O-N 3.07Å; L306-V309 PolarHBondContact O-N 2.72Å; R307-V309 PolarHBondContact O-N 3.07Å; V309-N312 PolarHBondContact O-N 3.35Å; V309-K313 HydrophobicContact CG1-CD 4.2Å; V309-K313 WeakPolarHBondContact O-CB 3.44Å; V309-K313 WeakPolarHBondContact O-CG 3.25Å; V309-K313 PolarHBondContact O-N 3.28Å
310	L	90.9	Very high	88.1	Confident	11 Å²	11	60.1 Å²	60.1	6%	0.058	34%	0.34	C	S	.	.	H	α-helix	trans	-66.3	-42.4	178	-70.4	-176.6	0	0	0	111.7	L279 L297 L302 L306 R307 N312 L314 G315 L318	L279-L310 HydrophobicContact CD1-CD2 3.92Å; L279-L310 HydrophobicContact CD2-CD2 4.43Å; L279-L310 HydrophobicContact CG-CD2 4.36Å; L297-L310 HydrophobicContact CD2-CB 3.81Å; L297-L310 HydrophobicContact CD2-CD1 4.21Å; L302-L310 HydrophobicContact CD1-CD1 3.86Å; L306-L310 HydrophobicContact CD1-CD1 4.34Å; L306-L310 HydrophobicContact CD1-CG 4.07Å; L306-L310 HydrophobicContact CG-CD1 4.2Å; L306-L310 HydrophobicContact CG-CG 4.33Å; L306-L310 WeakPolarHBondContact O-CB 3.49Å; L306-L310 WeakPolarHBondContact O-CG 3.38Å; L306-L310 PolarHBondContact O-N 3.29Å; R307-L310 PolarHBondContact O-N 3.48Å; L310-N312 PolarHBondContact O-N 2.86Å; L310-L314 HydrophobicContact CD2-CD1 4.19Å; L310-L314 CarbonylContact O-C 3.52Å; L310-L314 VanDerWaalsContact O-CA 3.29Å; L310-L314 WeakPolarHBondContact O-CA 3.38Å; L310-L314 PolarHBondContact O-N 2.8Å; L310-G315 PolarHBondContact O-N 2.79Å; L310-L318 HydrophobicContact CB-CD1 4.21Å
311	H	88.2	Confident	87.6	Confident	106 Å²	106	60.6 Å²	60.6	49%	0.491	34%	0.343	S	S	.	.	H	α-helix	trans	-55.8	-52.2	174.4	-176.9	-87.4	0	0	0	111.1	L297 R307 Q308 K313 G315	L297-H311 HydrophobicContact CD1-CB 3.67Å; R307-H311 WeakPolarHBondContact O-CB 3.45Å; R307-H311 PolarHBondContact O-N 2.83Å; Q308-H311 PolarHBondContact O-N 2.72Å; H311-K313 PolarHBondContact O-N 2.74Å; H311-G315 VanDerWaalsContact O-CA 3.27Å; H311-G315 WeakPolarHBondContact O-CA 3.27Å; H311-G315 PolarHBondContact O-N 2.82Å
312	N	85.9	Confident	86.5	Confident	109 Å²	109	56.8 Å²	56.8	58%	0.583	32%	0.319	S	S	*	.	H	α-helix	trans	-69.1	-36.7	-174.9	-67.2	1.6	0	0	0	113	Q308 V309 L310	Q308-N312 PolarHBondContact NE2-ND2 2.8Å; Q308-N312 PolarHBondContact NE2-OD1 2.91Å; Q308-N312 WeakPolarHBondContact O-CB 3.33Å; Q308-N312 PolarHBondContact O-N 2.84Å; Q308-N312 PolarHBondContact O-OD1 3.3Å; V309-N312 PolarHBondContact O-N 3.35Å; L310-N312 PolarHBondContact O-N 2.86Å
313	K	85.8	Confident	84.9	Confident	140 Å²	140	56.3 Å²	56.3	61%	0.609	32%	0.324	S	S	*	.	H	α-helix	trans	-96.3	-32.4	-173.7	-65.3	-168.5	175.4	-170.2	0	114.2	V309 H311	V309-K313 HydrophobicContact CG1-CD 4.2Å; V309-K313 WeakPolarHBondContact O-CB 3.44Å; V309-K313 WeakPolarHBondContact O-CG 3.25Å; V309-K313 PolarHBondContact O-N 3.28Å; H311-K313 PolarHBondContact O-N 2.74Å
314	L	90.3	Very high	82.5	Confident	1 Å²	1	56.2 Å²	56.2	1%	0.005	33%	0.33	C	S	.	.	H	α-helix	trans	-137.7	12.5	-167.7	-62.5	175.4	0	0	0	112.3	T274 L279 Y280 C283 L310 W316 V317 L318	T274-L314 HydrophobicContact CG2-CD2 3.72Å; L279-L314 HydrophobicContact CD2-CD1 4.01Å; L279-L314 HydrophobicContact CG-CD1 3.74Å; Y280-L314 HydrophobicContact CD2-CD2 4.14Å; C283-L314 HydrophobicContact CB-CD1 4.16Å; L310-L314 HydrophobicContact CD2-CD1 4.19Å; L310-L314 CarbonylContact O-C 3.52Å; L310-L314 VanDerWaalsContact O-CA 3.29Å; L310-L314 WeakPolarHBondContact O-CA 3.38Å; L310-L314 PolarHBondContact O-N 2.8Å; L314-W316 PolarHBondContact O-N 3.01Å; L314-V317 HydrophobicContact CB-CB 4.5Å; L314-V317 HydrophobicContact CB-CG2 4.32Å; L314-V317 HydrophobicContact CD2-CG2 3.98Å; L314-V317 WeakPolarHBondContact O-CB 3.14Å; L314-V317 PolarHBondContact O-N 3.31Å; L314-L318 PolarHBondContact O-N 3.21Å; L314-L318 VanDerWaalsContact O-N 3.14Å
315	G	86.8	Confident	80	Confident	15 Å²	15	57.2 Å²	57.2	16%	0.155	33%	0.334	C	S	.	.	H	α-helix	trans	-57	-35.7	179.1	0	0	0	0	0	112.1	L310 H311 V317 L318 S319	L310-G315 PolarHBondContact O-N 2.79Å; H311-G315 VanDerWaalsContact O-CA 3.27Å; H311-G315 WeakPolarHBondContact O-CA 3.27Å; H311-G315 PolarHBondContact O-N 2.82Å; G315-V317 PolarHBondContact O-N 2.96Å; G315-L318 PolarHBondContact O-N 2.68Å; G315-S319 WeakPolarHBondContact O-CB 3.3Å; G315-S319 PolarHBondContact O-N 2.67Å; G315-S319 PolarHBondContact O-OG 2.57Å
316	W	86.7	Confident	77.2	Confident	17 Å²	17	61.9 Å²	61.9	6%	0.064	34%	0.342	C	S	.	.	H	α-helix	trans	-58.5	-46	172.7	71.6	-93	0	0	0	111.9	Q149 F151 H224 C272 T274 Y280 L314 L318 S319 L320	Q149-W316 HydrophobicContact CB-CH2 4.08Å; Q149-W316 HydrophobicContact CB-CZ2 4.21Å; F151-W316 HydrophobicContact CB-CD2 3.83Å; F151-W316 HydrophobicContact CB-CE3 3.41Å; F151-W316 VanDerWaalsContact CB-CE3 3.41Å; F151-W316 HydrophobicContact CB-CH2 3.96Å; F151-W316 HydrophobicContact CB-CZ2 4.32Å; F151-W316 HydrophobicContact CB-CZ3 3.49Å; F151-W316 VanDerWaalsContact CB-CZ3 3.49Å; F151-W316 HydrophobicContact CD1-CB 4.05Å; F151-W316 HydrophobicContact CD1-CD2 4.25Å; F151-W316 AromaticContact CD1-CE3 3.87Å; F151-W316 HydrophobicContact CD1-CE3 3.87Å; F151-W316 HydrophobicContact CD1-CG 4.38Å; F151-W316 HydrophobicContact CD2-CE3 4.19Å; F151-W316 HydrophobicContact CD2-CZ3 4.28Å; F151-W316 HydrophobicContact CG-CD2 4.21Å; F151-W316 AromaticContact CG-CE3 3.56Å; F151-W316 HydrophobicContact CG-CE3 3.56Å; F151-W316 AromaticContact CG-CZ3 3.92Å; F151-W316 HydrophobicContact CG-CZ3 3.92Å; H224-W316 AromaticContact CD2-CH2 3.54Å; H224-W316 AromaticContact CD2-CZ3 3.5Å; H224-W316 AromaticContact NE2-CH2 3.48Å; H224-W316 WeakPolarHBondContact NE2-CH2 3.48Å; H224-W316 AromaticContact NE2-CZ3 3.79Å; C272-W316 VanDerWaalsContact SG-CG 3.56Å; T274-W316 HydrophobicContact CG2-CZ2 3.93Å; Y280-W316 AromaticContact CE2-CH2 3.9Å; Y280-W316 HydrophobicContact CE2-CH2 3.9Å; Y280-W316 HydrophobicContact CE2-CZ2 4.12Å; L314-W316 PolarHBondContact O-N 3.01Å; W316-L318 VanDerWaalsContact C-N 3.29Å; W316-L318 PolarHBondContact O-N 3.47Å; W316-S319 WeakPolarHBondContact CA-OG 3.3Å; W316-S319 PolarHBondContact O-N 2.9Å; W316-S319 PolarHBondContact O-OG 3.22Å; W316-L320 HydrophobicContact CE3-CD1 3.98Å; W316-L320 HydrophobicContact CE3-CD2 4.44Å; W316-L320 HydrophobicContact CE3-CG 4.25Å; W316-L320 HydrophobicContact CZ3-CD1 3.81Å; W316-L320 VanDerWaalsContact O-CG 3.29Å; W316-L320 WeakPolarHBondContact O-CG 2.76Å; W316-L320 PolarHBondContact O-N 2.94Å; W316-L320 VanDerWaalsContact O-N 3.14Å
317	V	89.2	Confident	74.3	Confident	4 Å²	4	66.3 Å²	66.3	2%	0.024	36%	0.36	C	S	.	.	H	α-helix	trans	-60.4	-41.3	177.5	-175.3	0	0	0	0	111.3	Y280 C283 A284 L314 G315 S319 L320	Y280-V317 HydrophobicContact CD2-CG2 3.86Å; Y280-V317 HydrophobicContact CE2-CG1 4.23Å; Y280-V317 HydrophobicContact CE2-CG2 3.66Å; C283-V317 HydrophobicContact CB-CG1 4.26Å; A284-V317 HydrophobicContact CB-CG1 4.03Å; L314-V317 HydrophobicContact CB-CB 4.5Å; L314-V317 HydrophobicContact CB-CG2 4.32Å; L314-V317 HydrophobicContact CD2-CG2 3.98Å; L314-V317 WeakPolarHBondContact O-CB 3.14Å; L314-V317 PolarHBondContact O-N 3.31Å; G315-V317 PolarHBondContact O-N 2.96Å; V317-S319 VanDerWaalsContact C-N 3.27Å; V317-S319 PolarHBondContact O-N 3.34Å; V317-L320 PolarHBondContact O-N 3.41Å
318	L	86.6	Confident	71.3	Confident	4 Å²	4	68.5 Å²	68.5	2%	0.021	38%	0.382	C	S	.	.	H	α-helix	trans	-78.8	-10.9	-176.6	-63.4	179.8	0	0	0	113.4	C283 R287 T296 L297 L310 L314 G315 W316	C283-L318 HydrophobicContact CB-CD2 3.78Å; C283-L318 HydrophobicContact CB-CG 4.41Å; R287-L318 VanDerWaalsContact CD-O 3.29Å; R287-L318 WeakPolarHBondContact CD-O 3.49Å; T296-L318 HydrophobicContact CG2-CD2 3.75Å; T296-L318 PolarHBondContact OG1-O 3.31Å; L297-L318 HydrophobicContact CD1-CD1 4.27Å; L297-L318 HydrophobicContact CD2-CD1 3.43Å; L297-L318 VanDerWaalsContact CD2-CD1 3.43Å; L297-L318 HydrophobicContact CG-CD1 3.73Å; L310-L318 HydrophobicContact CB-CD1 4.21Å; L314-L318 PolarHBondContact O-N 3.21Å; L314-L318 VanDerWaalsContact O-N 3.14Å; G315-L318 PolarHBondContact O-N 2.68Å; W316-L318 VanDerWaalsContact C-N 3.29Å; W316-L318 PolarHBondContact O-N 3.47Å
319	S	82.7	Confident	68.4	Low	56 Å²	56	69.9 Å²	69.9	39%	0.392	40%	0.398	S	S	.	.	H	α-helix	trans	-104.4	-6.8	174.6	51.6	0	0	0	0	113.2	G315 W316 V317 N321	G315-S319 WeakPolarHBondContact O-CB 3.3Å; G315-S319 PolarHBondContact O-N 2.67Å; G315-S319 PolarHBondContact O-OG 2.57Å; W316-S319 WeakPolarHBondContact CA-OG 3.3Å; W316-S319 PolarHBondContact O-N 2.9Å; W316-S319 PolarHBondContact O-OG 3.22Å; V317-S319 VanDerWaalsContact C-N 3.27Å; V317-S319 PolarHBondContact O-N 3.34Å; S319-N321 PolarHBondContact O-N 3.01Å; S319-N321 PolarHBondContact O-OD1 3.06Å
320	L	78.3	Confident	65.5	Low	27 Å²	27	75.3 Å²	75.3	14%	0.141	42%	0.419	C	S	.	.			trans	-66	116.6	176	-67.8	-174	0	0	0	110.8	F151 F235 R287 W316 V317 S322	F151-L320 HydrophobicContact CD2-CD2 4.18Å; F151-L320 HydrophobicContact CE1-CD2 4.18Å; F151-L320 HydrophobicContact CE2-CD2 3.59Å; F151-L320 HydrophobicContact CZ-CD2 3.6Å; F235-L320 HydrophobicContact CD1-CD2 4.16Å; F235-L320 HydrophobicContact CE1-CB 4.09Å; F235-L320 HydrophobicContact CE1-CD1 4.34Å; F235-L320 HydrophobicContact CE1-CD2 3.72Å; F235-L320 HydrophobicContact CE1-CG 4.24Å; F235-L320 HydrophobicContact CE2-CD2 4.42Å; F235-L320 HydrophobicContact CZ-CB 4.49Å; F235-L320 HydrophobicContact CZ-CD1 3.93Å; F235-L320 HydrophobicContact CZ-CD2 3.88Å; F235-L320 HydrophobicContact CZ-CG 4.3Å; R287-L320 VanDerWaalsContact CG-O 3.25Å; R287-L320 WeakPolarHBondContact CG-O 3.09Å; R287-L320 PolarHBondContact NE-O 3.06Å; R287-L320 PolarHBondContact NH2-O 3.03Å; W316-L320 HydrophobicContact CE3-CD1 3.98Å; W316-L320 HydrophobicContact CE3-CD2 4.44Å; W316-L320 HydrophobicContact CE3-CG 4.25Å; W316-L320 HydrophobicContact CZ3-CD1 3.81Å; W316-L320 VanDerWaalsContact O-CG 3.29Å; W316-L320 WeakPolarHBondContact O-CG 2.76Å; W316-L320 PolarHBondContact O-N 2.94Å; W316-L320 VanDerWaalsContact O-N 3.14Å; V317-L320 PolarHBondContact O-N 3.41Å; L320-S322 PolarHBondContact O-N 2.96Å
321	N	74.9	Confident	62.6	Low	49 Å²	49	77.4 Å²	77.4	26%	0.262	44%	0.443	S	S	.	.	B	Isolated β-bridge	trans	-77.7	121.5	175.1	-69	-6.3	0	0	0	111.4	C240 R287 D292 S319 G323	C240-N321 WeakPolarHBondContact CB-O 3.42Å; C240-N321 PolarHBondContact N-O 3.03Å; R287-N321 VanDerWaalsContact NH2-CA 3.31Å; R287-N321 PolarHBondContact NH2-OD1 3.03Å; D292-N321 HydrophobicContact CB-CB 4.44Å; D292-N321 PolarHBondContact O-OD1 2.88Å; S319-N321 PolarHBondContact O-N 3.01Å; S319-N321 PolarHBondContact O-OD1 3.06Å; N321-G323 PolarHBondContact O-N 3.35Å
322	S	63.1	Low	59.9	Low	50 Å²	50	78.6 Å²	78.6	35%	0.35	46%	0.461	S	S	.	.			trans	-81.6	88.2	179	-62.5	0	0	0	0	107	D292 L320 A324	D292-S322 PolarHBondContact OD1-N 3.43Å; D292-S322 VanDerWaalsContact OD1-N 3.11Å; D292-S322 VanDerWaalsContact OD2-O 3.12Å; L320-S322 PolarHBondContact O-N 2.96Å; S322-A324 PolarHBondContact O-N 3.02Å
323	G	55.1	Low	57.1	Low	30 Å²	30	82.6 Å²	82.6	31%	0.309	48%	0.476	S	S	.	.			trans	-48.4	105.5	-179.5	0	0	0	0	0	110.8	N321 T325	N321-G323 PolarHBondContact O-N 3.35Å; G323-T325 PolarHBondContact O-N 3Å
324	A	42.9	Very low	54.4	Low	78 Å²	78	87.7 Å²	87.7	65%	0.645	49%	0.491	S	S	*	.			trans	-66.6	124.4	161.4	0	0	0	0	0	105.9	S322 E326	S322-A324 PolarHBondContact O-N 3.02Å; A324-E326 PolarHBondContact O-N 3.37Å
325	T	37.2	Very low	51.6	Low	130 Å²	130	92.9 Å²	92.9	80%	0.798	53%	0.527	S	S	*	.			trans	-52.6	110.8	170.4	-36.5	0	0	0	0	107.1	G323 E327	G323-T325 PolarHBondContact O-N 3Å; T325-E327 PolarHBondContact O-N 2.98Å
326	E	34.4	Very low	49	Very low	151 Å²	151	97.5 Å²	97.5	71%	0.706	56%	0.555	S	S	*	*			trans	-67.7	97.3	161.1	-77.2	-177.2	-154.3	0	0	105.3	K239 A324 T328	K239-E326 IonicContact NZ-OE1 2.81Å; A324-E326 PolarHBondContact O-N 3.37Å; E326-T328 VanDerWaalsContact C-N 3.25Å; E326-T328 PolarHBondContact O-N 2.88Å
327	E	30.8	Very low	46.4	Very low	169 Å²	169	105.2 Å²	105.2	79%	0.79	59%	0.591	S	S	*	*			trans	-57.4	99.9	161.1	-75	-173.8	170.1	0	0	106.4	T325 T329	T325-E327 PolarHBondContact O-N 2.98Å; E327-T329 VanDerWaalsContact C-N 3.28Å; E327-T329 PolarHBondContact O-N 3.09Å; E327-T329 PolarHBondContact O-OG1 3.18Å
328	T	27.4	Very low	43.7	Very low	119 Å²	119	112.8 Å²	112.8	73%	0.73	63%	0.631	S	S	*	*			trans	-63.5	96.4	170.2	14.1	0	0	0	0	106.3	E326 E330	E326-T328 VanDerWaalsContact C-N 3.25Å; E326-T328 PolarHBondContact O-N 2.88Å; T328-E330 PolarHBondContact O-N 2.87Å
329	T	29.5	Very low	41.3	Very low	136 Å²	136	117.4 Å²	117.4	83%	0.834	66%	0.661	S	S	*	*			trans	-76.4	68.3	170	-27.6	0	0	0	0	107.7	E327 G331	E327-T329 VanDerWaalsContact C-N 3.28Å; E327-T329 PolarHBondContact O-N 3.09Å; E327-T329 PolarHBondContact O-OG1 3.18Å; T329-G331 VanDerWaalsContact C-N 3.27Å; T329-G331 PolarHBondContact O-N 2.76Å; T329-G331 VanDerWaalsContact O-N 3.09Å
330	E	28.5	Very low	38.6	Very low	180 Å²	180	120.9 Å²	120.9	84%	0.841	68%	0.68	S	S	*	*			trans	-78.6	85.8	164.5	-74.2	-162.5	168.9	0	0	107.9	T328	T328-E330 PolarHBondContact O-N 2.87Å
331	G	29.3	Very low	36.2	Very low	54 Å²	54	125.8 Å²	125.8	56%	0.557	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-67.3	143.6	160	0	0	0	0	0	109.5	T329 E333	T329-G331 VanDerWaalsContact C-N 3.27Å; T329-G331 PolarHBondContact O-N 2.76Å; T329-G331 VanDerWaalsContact O-N 3.09Å; G331-E333 PolarHBondContact O-N 2.96Å
332	P	32.8	Very low	34	Very low	132 Å²	132	131.1 Å²	131.1	86%	0.857	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-67.3	130.4	-173.8	26.2	-31.9	0	0	0	111.1	R334	P332-R334 PolarHBondContact O-N 2.83Å
333	E	27	Very low	32.7	Very low	192 Å²	192	134.4 Å²	134.4	90%	0.897	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-50.3	131.1	176.2	-61.2	-171.4	141	0	0	112.1	G331	G331-E333 PolarHBondContact O-N 2.96Å
334	R	29.4	Very low	31.5	Very low	247 Å²	247	137.7 Å²	137.7	93%	0.932	78%	0.783	S	S	*	*			trans	-111.3	121.8	158.3	-91.1	-174	175.5	-178.7	-0.4	109.1	P332	P332-R334 PolarHBondContact O-N 2.83Å
335	S	30.1	Very low	30.9	Very low	110 Å²	110	142.7 Å²	142.7	77%	0.769	79%	0.793	S	S	*	*			trans	-61.3	155.3	-178.1	-39.3	0	0	0	0	113.4
336	P	34	Very low	31.1	Very low	112 Å²	112	141.5 Å²	141.5	73%	0.727	79%	0.788	S	S	*	*			trans	-99.3	134	-172.1	35.7	-28.2	0	0	0	112.6
337	H	30.4	Very low	30.9	Very low	179 Å²	179	140 Å²	140	83%	0.829	79%	0.794	S	S	*	*			trans	-147.2	105.3	156.9	-81.4	-61.6	0	0	0	112.5
338	L	32.8	Very low	30.8	Very low	164 Å²	164	141.9 Å²	141.9	86%	0.859	80%	0.8	S	S	*	*			trans	48.7	157	139.3	-93	99.3	0	0	0	123.7
339	P	36.8	Very low	31	Very low	100 Å²	100	141.9 Å²	141.9	65%	0.649	81%	0.805	S	S	*	*			trans	-117.8	159.8	-134	42.1	-32.4	0	0	0	113.5
340	T	26.6	Very low	31.1	Very low	129 Å²	129	144.2 Å²	144.2	79%	0.791	81%	0.806	S	S	*	*			trans	-159.1	132.4	150.5	-29.9	0	0	0	0	112.7
341	T	27.5	Very low	31.2	Very low	131 Å²	131	141.4 Å²	141.4	80%	0.804	81%	0.807	S	S	*	*			trans	67.3	110.6	148.3	42	0	0	0	0	122.4
342	L	28.2	Very low	31.3	Very low	161 Å²	161	146.2 Å²	146.2	84%	0.843	82%	0.82	S	S	*	*			trans	-58.7	163.5	141.6	-77	164.7	0	0	0	110.7
343	P	36.7	Very low	31.6	Very low	118 Å²	118	145.9 Å²	145.9	77%	0.766	82%	0.82	S	S	*	*			cis	-148.6	-177.8	35.1	41.1	-19.4	0	0	0	118.1
344	A	28.8	Very low	31.9	Very low	100 Å²	100	146 Å²	146	83%	0.826	82%	0.821	S	S	*	*			trans	94.5	136.2	148	0	0	0	0	0	118.8
345	Q	31.2	Very low	32	Very low	182 Å²	182	137.4 Å²	137.4	85%	0.85	81%	0.809	S	S	*	*			trans	-102.8	-170.9	-166.2	-141	-162.2	-0.7	0	0	109.3
346	P	41.7	Very low	32.2	Very low	106 Å²	106	138.6 Å²	138.6	69%	0.688	82%	0.816	S	S	*	*				-99.9	167.4	-117.6	37.1	-20.6	0	0	0	113.8
347	S	28.3	Very low	32.2	Very low	120 Å²	120	137.9 Å²	137.9	84%	0.839	82%	0.82	S	S	*	*			trans	-146	132.4	159.3	52.5	0	0	0	0	112.4
348	F	29.6	Very low	32.7	Very low	208 Å²	208	135.5 Å²	135.5	91%	0.912	82%	0.823	S	S	*	*			trans	-61.8	148.6	168.3	-75.4	-105.9	0	0	0	111.1
349	S	31.4	Very low	32.9	Very low	118 Å²	118	135.4 Å²	135.4	83%	0.825	82%	0.824	S	S	*	*			trans	-162.3	124.4	137.1	65.5	0	0	0	0	111.1
350	E	31	Very low	33.1	Very low	185 Å²	185	136 Å²	136	86%	0.864	83%	0.828	S	S	*	*			trans	-61.3	147.2	162.4	-64.6	169	123.8	0	0	111.2
351	S	32	Very low	33.8	Very low	122 Å²	122	139.4 Å²	139.4	85%	0.853	83%	0.834	S	S	*	*			trans	-166.4	129.2	135.3	-91.2	0	0	0	0	111.7
352	D	32	Very low	34.2	Very low	155 Å²	155	137.6 Å²	137.6	83%	0.829	83%	0.833	S	S	*	*			trans	-56.3	151.6	168.3	-60.6	-56.6	0	0	0	112.7
353	S	38.2	Very low	34.5	Very low	125 Å²	125	136.1 Å²	136.1	87%	0.874	84%	0.835	S	S	*	*			trans	-163.7	142.7	135.3	-81.3	0	0	0	0	111.7
354	E	33.9	Very low	34.7	Very low	194 Å²	194	139 Å²	139	91%	0.907	84%	0.838	S	S	*	*			trans	-72.5	162.8	-163.2	-61.4	165.6	119.3	0	0	115.5
355	G	30.8	Very low	35	Very low	67 Å²	67	146.2 Å²	146.2	69%	0.691	84%	0.844	S	S	*	*			trans	102.6	105.5	132.1	0	0	0	0	0	116.7
356	C	35.3	Very low	35.7	Very low	135 Å²	135	147.3 Å²	147.3	91%	0.912	85%	0.846	S	S	*	*				175.2	116.5	109	-86	0	0	0	0	110.1
357	A	32.8	Very low	35.5	Very low	97 Å²	97	154 Å²	154	80%	0.802	86%	0.857	S	S	*	*			trans	-76.4	146.6	167	0	0	0	0	0	110.5
358	S	40.2	Very low	36.2	Very low	128 Å²	128	153.8 Å²	153.8	90%	0.895	85%	0.854	S	S	*	*			trans	-160.8	131.2	152	-68.3	0	0	0	0	109.5
359	D	37.1	Very low	36.8	Very low	163 Å²	163	155.5 Å²	155.5	87%	0.872	85%	0.854	S	S	*	*	P	Polyproline II helix	trans	-68.1	163.8	-165.4	-95	-44.9	0	0	0	117.4
360	P	42.2	Very low	37.4	Very low	113 Å²	113	161.5 Å²	161.5	73%	0.734	86%	0.859	S	S	*	*	P	Polyproline II helix	trans	-91.2	129.1	176.8	34.6	-29.4	0	0	0	113.1
361	E	40	Very low	38.7	Very low	199 Å²	199	162.5 Å²	162.5	93%	0.93	88%	0.878	S	S	*	*	P	Polyproline II helix	trans	-79.2	141.3	171.3	-89.5	-170.5	141.8	0	0	113.4
362	A	36	Very low	39	Very low	94 Å²	94	164.6 Å²	164.6	78%	0.777	88%	0.88	S	S	*	*	P	Polyproline II helix	trans	-75.3	135.2	-171	0	0	0	0	0	113.8
363	C	35.3	Very low	39.4	Very low	130 Å²	130	165.1 Å²	165.1	88%	0.878	88%	0.882	S	S	*	*			trans	-109	106.7	164.1	-169.5	0	0	0	0	110.2
364	Q	40.3	Very low	39.5	Very low	179 Å²	179	167.3 Å²	167.3	84%	0.836	88%	0.883	S	S	*	*	P	Polyproline II helix	trans	-74.4	130.8	179	-70.3	-177.2	-4.1	0	0	111.9
365	R	36.5	Very low	39.8	Very low	251 Å²	251	165.7 Å²	165.7	95%	0.947	88%	0.881	S	S	*	*	P	Polyproline II helix	trans	-75.8	119.8	172.5	-70.6	173.2	172	157.8	-2.2	110.7
366	K	44.8	Very low	40.4	Very low	205 Å²	205	171.9 Å²	171.9	89%	0.891	89%	0.893	S	S	*	*	P	Polyproline II helix	trans	-91	119.2	163.6	-77.5	-176.8	177.7	176.5	0	110.2
367	R	37.6	Very low	40.7	Very low	247 Å²	247	174.3 Å²	174.3	93%	0.932	89%	0.892	S	S	*	*			trans	-91	115.9	176.6	-167.2	-175.1	-116.7	-161.4	-1.4	108
368	C	43.5	Very low	41.2	Very low	115 Å²	115	179.9 Å²	179.9	78%	0.777	90%	0.898	S	S	*	*	P	Polyproline II helix	trans	-83.3	128.8	171.4	-67	0	0	0	0	109.7
369	R	42	Very low	41.3	Very low	243 Å²	243	183.8 Å²	183.8	92%	0.917	90%	0.899	S	S	*	*	P	Polyproline II helix	trans	-101.6	123.2	174.3	-152	-179	-166.7	-172.3	2.5	106.3
370	W	44.1	Very low	41.7	Very low	245 Å²	245	185.6 Å²	185.6	93%	0.928	90%	0.901	S	S	*	*	P	Polyproline II helix	trans	-86.1	129.7	168.3	-79.2	64.5	0	0	0	108.2
371	T	57.9	Low	41.6	Very low	206 Å²	206	192.2 Å²	192.2	100%	1.264	92%	0.916	S	S	*	*			trans	-84.1	0	164	46	0	0	0	0	110.2

Retrieved 371 of 371 residues in 312.8 ms (Link to these results)

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