G4V7E5_SCHMA Loading...

GOLD domain-containing protein

AlphaFold DB , UniProt , Accession G4V7E5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 323 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	37.7	Very low	33.6	Very low	246 Å²	246	149.3 Å²	149.3	100%	1.212	83%	0.831	S	S	*	*				0	103.9	0	-71.6	-155.9	-118.6	0	0	105
2	G	35.1	Very low	33.5	Very low	80 Å²	80	147.3 Å²	147.3	83%	0.825	82%	0.818	S	S	*	*			trans	-79.6	120.3	-160	0	0	0	0	0	112.5
3	E	33.1	Very low	33.7	Very low	181 Å²	181	150.5 Å²	150.5	85%	0.846	82%	0.818	S	S	*	*			trans	-67.1	125.5	170.5	-64.3	172.9	151.5	0	0	108.8
4	F	36.3	Very low	33.6	Very low	209 Å²	209	153.9 Å²	153.9	92%	0.917	82%	0.822	S	S	*	*			trans	-98.6	97.7	170.4	-118.8	-91.6	0	0	0	107	T6	F4-T6 PolarHBondContact O-N 3.49Å
5	E	34.2	Very low	33.4	Very low	171 Å²	171	155.7 Å²	155.7	80%	0.799	82%	0.824	S	S	*	*			trans	-66.6	121.6	171.5	-69.6	-178.4	142.8	0	0	109.5	N7	E5-N7 PolarHBondContact O-N 3.19Å
6	T	32.8	Very low	33.5	Very low	131 Å²	131	152.5 Å²	152.5	80%	0.804	81%	0.812	S	S	*	*			trans	-72.2	108.3	172.2	47.7	0	0	0	0	109.2	F4 V8	F4-T6 PolarHBondContact O-N 3.49Å; T6-V8 PolarHBondContact O-N 3.38Å
7	N	33	Very low	33.5	Very low	156 Å²	156	153 Å²	153	83%	0.834	81%	0.814	S	S	*	*			trans	-80.2	105.9	172.5	-118	-42.2	0	0	0	109.8	E5 S9	E5-N7 PolarHBondContact O-N 3.19Å; N7-S9 PolarHBondContact O-N 3.31Å
8	V	29.7	Very low	33.3	Very low	126 Å²	126	149.9 Å²	149.9	76%	0.764	81%	0.806	S	S	*	*			trans	-67.6	115.5	170.8	175.7	0	0	0	0	107.9	T6	T6-V8 PolarHBondContact O-N 3.38Å
9	S	36.5	Very low	33.6	Very low	114 Å²	114	150.1 Å²	150.1	80%	0.797	81%	0.806	S	S	*	*			trans	-100	121.5	170.4	-64.5	0	0	0	0	109.4	N7	N7-S9 PolarHBondContact O-N 3.31Å
10	N	31.3	Very low	33.8	Very low	115 Å²	115	149.5 Å²	149.5	62%	0.615	80%	0.803	S	S	*	*			trans	-54.3	131.6	-168.7	-160	25.9	0	0	0	115	D12	N10-D12 VanDerWaalsContact C-N 3.34Å; N10-D12 PolarHBondContact ND2-OD2 3.22Å; N10-D12 PolarHBondContact O-N 2.92Å; N10-D12 PolarHBondContact OD1-OD2 3.17Å
11	P	29.9	Very low	33.5	Very low	113 Å²	113	149.9 Å²	149.9	73%	0.734	81%	0.805	S	S	*	*			trans	-89.4	64.4	174.9	37.7	-32.4	0	0	0	110.9
12	D	32.5	Very low	33.6	Very low	126 Å²	126	143.8 Å²	143.8	67%	0.674	78%	0.783	S	S	*	*			trans	-118.8	24.9	177.4	-77	-28.5	0	0	0	112.8	N10 F14	N10-D12 VanDerWaalsContact C-N 3.34Å; N10-D12 PolarHBondContact ND2-OD2 3.22Å; N10-D12 PolarHBondContact O-N 2.92Å; N10-D12 PolarHBondContact OD1-OD2 3.17Å; D12-F14 VanDerWaalsContact C-N 3.33Å; D12-F14 PolarHBondContact O-N 3.29Å
13	K	36.3	Very low	33.5	Very low	188 Å²	188	145.1 Å²	145.1	82%	0.817	78%	0.78	S	S	*	*			trans	-96.8	41.6	172.7	-79	-171.3	176.7	-179.4	0	112.7
14	F	31.4	Very low	33.7	Very low	199 Å²	199	143.6 Å²	143.6	87%	0.873	78%	0.778	S	S	*	*			trans	-113.5	72.4	175.1	-115.4	-87.3	0	0	0	109.8	D12	D12-F14 VanDerWaalsContact C-N 3.33Å; D12-F14 PolarHBondContact O-N 3.29Å
15	E	31.9	Very low	33.6	Very low	181 Å²	181	137.8 Å²	137.8	85%	0.846	76%	0.763	S	S	*	*			trans	-123.5	97.6	160.5	-87.6	-172.6	162.3	0	0	106
16	T	34.5	Very low	33.7	Very low	104 Å²	104	137.3 Å²	137.3	64%	0.638	77%	0.766	S	S	*	*				91.5	78.2	108.8	43.3	0	0	0	0	114.1	S18	T16-S18 PolarHBondContact O-N 3.21Å
17	L	33.5	Very low	33.7	Very low	161 Å²	161	140.1 Å²	140.1	84%	0.843	77%	0.77	S	S	*	*			trans	-76.9	74.4	133.5	-69	176.1	0	0	0	107.1
18	S	30	Very low	34	Very low	97 Å²	97	140.4 Å²	140.4	68%	0.678	77%	0.77	S	S	*	*			trans	-130.5	90	164.4	-89.7	0	0	0	0	106.1	T16	T16-S18 PolarHBondContact O-N 3.21Å
19	L	38.1	Very low	34.2	Very low	154 Å²	154	142.4 Å²	142.4	81%	0.806	77%	0.771	S	S	*	*			trans	-101.2	101.2	167.5	-97	126.5	0	0	0	107.8
20	N	37.3	Very low	33.8	Very low	137 Å²	137	145.5 Å²	145.5	73%	0.733	77%	0.773	S	S	*	*			trans	54.5	106.9	147.2	-56.2	-25.5	0	0	0	118.8	P22	N20-P22 WeakPolarHBondContact O-CD 3.42Å
21	D	27.6	Very low	33.7	Very low	159 Å²	159	146.2 Å²	146.2	85%	0.85	78%	0.781	S	S	*	*			trans	-73.2	120.5	149.7	-120.3	-26.7	0	0	0	108.9
22	P	40.5	Very low	33.7	Very low	117 Å²	117	146 Å²	146	76%	0.76	78%	0.783	S	S	*	*			trans	-102.1	95.6	156	29.1	-14.9	0	0	0	108.5	N20 D24	N20-P22 WeakPolarHBondContact O-CD 3.42Å; P22-D24 PolarHBondContact O-N 3.16Å
23	S	32.6	Very low	33.7	Very low	109 Å²	109	145.7 Å²	145.7	76%	0.762	79%	0.785	S	S	*	*			trans	-70.1	105.4	156.4	8	0	0	0	0	107.5
24	D	36.9	Very low	33.3	Very low	149 Å²	149	148.2 Å²	148.2	80%	0.797	79%	0.789	S	S	*	*				-169	142.3	120.9	-130.5	-31	0	0	0	113.2	P22	P22-D24 PolarHBondContact O-N 3.16Å
25	S	35.1	Very low	33.6	Very low	87 Å²	87	144.9 Å²	144.9	61%	0.608	79%	0.785	S	S	*	*			trans	-43.5	137.6	172.4	51	0	0	0	0	115.9
26	N	36.6	Very low	33.7	Very low	161 Å²	161	145.5 Å²	145.5	86%	0.861	79%	0.785	S	S	*	*			trans	-168.3	119.7	130.2	-93.8	-37.8	0	0	0	112.3
27	E	32.6	Very low	33.5	Very low	190 Å²	190	149.9 Å²	149.9	89%	0.888	80%	0.798	S	S	*	*			trans	-58.6	127.4	167.4	-64.9	172.4	123.8	0	0	111.4
28	I	38.7	Very low	33.5	Very low	161 Å²	161	146 Å²	146	83%	0.826	80%	0.797	S	S	*	*			trans	-147.9	106.2	146.2	-50.1	-179.8	0	0	0	111.2
29	H	33.7	Very low	33.5	Very low	169 Å²	169	150.1 Å²	150.1	78%	0.782	80%	0.803	S	S	*	*			trans	31.1	112.7	142	-79.5	-84.4	0	0	0	122.3
30	E	29	Very low	33.2	Very low	179 Å²	179	148.2 Å²	148.2	84%	0.836	80%	0.802	S	S	*	*			trans	6.3	117.4	132.8	-129	-178.6	170.3	0	0	117.9
31	T	30.3	Very low	33.3	Very low	129 Å²	129	149.3 Å²	149.3	79%	0.791	81%	0.808	S	S	*	*			trans	-143.4	105	144.4	-33.4	0	0	0	0	109.8	V33	T31-V33 PolarHBondContact O-N 2.74Å
32	S	28.3	Very low	34.3	Very low	110 Å²	110	148 Å²	148	77%	0.769	80%	0.8	S	S	*	*			trans	-65.1	114.1	174.3	-176.3	0	0	0	0	110.3
33	V	33.3	Very low	34.4	Very low	119 Å²	119	150.3 Å²	150.3	72%	0.721	80%	0.801	S	S	*	*			trans	-114.7	110.3	164.8	-179.4	0	0	0	0	108.5	T31 V35	T31-V33 PolarHBondContact O-N 2.74Å; V33-V35 PolarHBondContact O-N 3.11Å
34	R	28	Very low	35.2	Very low	240 Å²	240	148 Å²	148	91%	0.906	79%	0.794	S	S	*	*			trans	-75	97.1	179.4	-151.2	-177.2	-153.5	-175.2	5.6	108.8
35	V	37	Very low	36.6	Very low	130 Å²	130	144.4 Å²	144.4	79%	0.788	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-84.5	121	170.4	-178.2	0	0	0	0	108.5	V33	V33-V35 PolarHBondContact O-N 3.11Å
36	K	34	Very low	38.2	Very low	194 Å²	194	144.3 Å²	144.3	84%	0.843	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-65.4	139.6	178.5	-76.6	173.2	172.6	174.5	0	110.7	G38	K36-G38 PolarHBondContact O-N 3.15Å
37	E	31.4	Very low	40.2	Very low	195 Å²	195	138 Å²	138	91%	0.911	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-50.9	118.6	174.5	-64.7	165.1	155.1	0	0	112.1
38	G	32.2	Very low	42.4	Very low	80 Å²	80	133.4 Å²	133.4	83%	0.825	72%	0.719	S	S	*	*			trans	-123	81.7	161.4	0	0	0	0	0	107.9	K36	K36-G38 PolarHBondContact O-N 3.15Å
39	F	30.8	Very low	44.2	Very low	183 Å²	183	127.2 Å²	127.2	80%	0.803	69%	0.686	S	S	*	*			trans	-83.9	114.1	176.3	-134.6	-98.3	0	0	0	107.8
40	C	30.9	Very low	46.6	Very low	115 Å²	115	123 Å²	123	78%	0.777	67%	0.667	S	S	*	*	S	Bend	trans	172.7	127.9	144.7	-90.1	0	0	0	0	110.1
41	D	39.7	Very low	49.3	Very low	160 Å²	160	119.5 Å²	119.5	86%	0.856	65%	0.653	S	S	*	*	S	Bend	trans	89.9	-2.2	169.2	-62.9	-23.8	0	0	0	122.4
42	D	49.6	Very low	51.7	Low	130 Å²	130	116.6 Å²	116.6	70%	0.695	63%	0.63	S	S	*	*	H	α-helix	trans	-83.5	-18.1	-176	-158.5	31.9	0	0	0	115.7	G44	D42-G44 PolarHBondContact O-N 3.14Å
43	Q	41.5	Very low	54.3	Low	167 Å²	167	111.4 Å²	111.4	78%	0.78	59%	0.594	S	S	*	*	H	α-helix	trans	-75	-25.5	-176	-78.5	-174.8	-1.6	0	0	114.3	G47	Q43-G47 PolarHBondContact O-N 3.38Å
44	G	49.1	Very low	56.9	Low	60 Å²	60	109.3 Å²	109.3	62%	0.619	58%	0.575	S	S	*	*	H	α-helix	trans	-73.9	-36.3	-178	0	0	0	0	0	113	D42 Q48	D42-G44 PolarHBondContact O-N 3.14Å; G44-Q48 PolarHBondContact O-N 3.35Å
45	D	67.4	Low	59.7	Low	73 Å²	73	101.6 Å²	101.6	39%	0.39	56%	0.558	S	S	.	*	H	α-helix	trans	-73.7	-41.5	-178.5	-176.6	48.1	0	0	0	111.7	G47 Q48 K49	D45-G47 PolarHBondContact O-N 3.44Å; D45-Q48 PolarHBondContact O-N 3.41Å; D45-K49 WeakPolarHBondContact O-CG 3.49Å; D45-K49 PolarHBondContact O-N 3.2Å; D45-K49 IonicContact OD1-NZ 3.2Å; D45-K49 WeakPolarHBondContact OD2-CE 3.46Å; D45-K49 IonicContact OD2-NZ 3.65Å; D45-K49 PolarHBondContact OD2-NZ 3.23Å
46	L	67.9	Low	61.8	Low	85 Å²	85	96.4 Å²	96.4	45%	0.445	53%	0.528	S	S	.	.	H	α-helix	trans	-62.6	-43.2	177.8	-156.3	82	0	0	0	112	Q48 K49 E50	L46-Q48 VanDerWaalsContact C-N 3.32Å; L46-Q48 PolarHBondContact O-N 3.06Å; L46-K49 PolarHBondContact O-N 3.35Å; L46-E50 WeakPolarHBondContact O-CG 3.48Å; L46-E50 PolarHBondContact O-N 3.01Å
47	G	79.1	Confident	64.2	Low	29 Å²	29	87.3 Å²	87.3	30%	0.299	49%	0.489	S	S	.	.	H	α-helix	trans	-64.1	-36.4	177.8	0	0	0	0	0	112.9	Q43 D45 E50 I51	Q43-G47 PolarHBondContact O-N 3.38Å; D45-G47 PolarHBondContact O-N 3.44Å; G47-E50 PolarHBondContact O-N 3.45Å; G47-I51 WeakPolarHBondContact O-CD1 3.42Å; G47-I51 VanDerWaalsContact O-CG1 3.28Å; G47-I51 WeakPolarHBondContact O-CG1 3.31Å; G47-I51 PolarHBondContact O-N 3.41Å; G47-I51 VanDerWaalsContact O-N 3.12Å
48	Q	78.3	Confident	66.9	Low	94 Å²	94	80.3 Å²	80.3	44%	0.439	46%	0.46	S	S	.	.	H	α-helix	trans	-67.9	-43.4	175.2	-176.4	57	43.5	0	0	111.5	G44 D45 L46 E50 I51 E52	G44-Q48 PolarHBondContact O-N 3.35Å; D45-Q48 PolarHBondContact O-N 3.41Å; L46-Q48 VanDerWaalsContact C-N 3.32Å; L46-Q48 PolarHBondContact O-N 3.06Å; Q48-E50 VanDerWaalsContact C-N 3.34Å; Q48-E50 PolarHBondContact O-N 3.39Å; Q48-I51 PolarHBondContact O-N 3.47Å; Q48-E52 PolarHBondContact NE2-OE1 3.44Å; Q48-E52 VanDerWaalsContact NE2-OE1 3.08Å; Q48-E52 PolarHBondContact O-N 3.13Å
49	K	76.6	Confident	69.3	Low	31 Å²	31	81.1 Å²	81.1	14%	0.135	44%	0.442	C	S	.	.	H	α-helix	trans	-58.8	-44	174	-74.1	170.4	174.8	166.4	0	111.8	D45 L46 I51 E52 I53 P140	D45-K49 WeakPolarHBondContact O-CG 3.49Å; D45-K49 PolarHBondContact O-N 3.2Å; D45-K49 IonicContact OD1-NZ 3.2Å; D45-K49 WeakPolarHBondContact OD2-CE 3.46Å; D45-K49 IonicContact OD2-NZ 3.65Å; D45-K49 PolarHBondContact OD2-NZ 3.23Å; L46-K49 PolarHBondContact O-N 3.35Å; K49-I51 VanDerWaalsContact C-N 3.33Å; K49-I51 PolarHBondContact O-N 3.3Å; K49-E52 PolarHBondContact O-N 3.2Å; K49-I53 WeakPolarHBondContact O-CD1 3.28Å; K49-I53 VanDerWaalsContact O-CG1 3.25Å; K49-I53 WeakPolarHBondContact O-CG1 3.43Å; K49-I53 PolarHBondContact O-N 2.9Å; K49-P140 HydrophobicContact CG-CG 4.5Å
50	E	84	Confident	71.6	Confident	81 Å²	81	75.7 Å²	75.7	38%	0.379	42%	0.419	S	S	.	.	H	α-helix	trans	-60.3	-40.9	175.8	-78.1	179.2	-172.9	0	0	112.5	L46 G47 Q48 K54 F92 L96	L46-E50 WeakPolarHBondContact O-CG 3.48Å; L46-E50 PolarHBondContact O-N 3.01Å; G47-E50 PolarHBondContact O-N 3.45Å; Q48-E50 VanDerWaalsContact C-N 3.34Å; Q48-E50 PolarHBondContact O-N 3.39Å; E50-K54 VanDerWaalsContact O-CB 3.31Å; E50-K54 WeakPolarHBondContact O-CB 3.46Å; E50-K54 PolarHBondContact O-N 3.43Å; E50-F92 HydrophobicContact CB-CZ 4.16Å; E50-F92 WeakPolarHBondContact O-CE2 3.48Å; E50-F92 WeakPolarHBondContact O-CZ 3.36Å; E50-L96 HydrophobicContact CG-CD1 4.45Å
51	I	85.5	Confident	74.2	Confident	105 Å²	105	70.7 Å²	70.7	54%	0.538	39%	0.385	S	S	.	.	H	α-helix	trans	-63.6	-42.3	176	-69.7	161.1	0	0	0	111.2	G47 Q48 K49 K54 S55	G47-I51 WeakPolarHBondContact O-CD1 3.42Å; G47-I51 VanDerWaalsContact O-CG1 3.28Å; G47-I51 WeakPolarHBondContact O-CG1 3.31Å; G47-I51 PolarHBondContact O-N 3.41Å; G47-I51 VanDerWaalsContact O-N 3.12Å; Q48-I51 PolarHBondContact O-N 3.47Å; K49-I51 VanDerWaalsContact C-N 3.33Å; K49-I51 PolarHBondContact O-N 3.3Å; I51-K54 PolarHBondContact O-N 2.88Å; I51-S55 WeakPolarHBondContact O-CB 3.36Å; I51-S55 PolarHBondContact O-N 2.95Å
52	E	81.5	Confident	76.5	Confident	68 Å²	68	67.1 Å²	67.1	32%	0.318	36%	0.362	S	S	.	.	H	α-helix	trans	-64.7	-46.4	178.8	-73.4	175.2	-158.9	0	0	111.7	Q48 K49 K54 S55 A56 I142 Q292	Q48-E52 PolarHBondContact NE2-OE1 3.44Å; Q48-E52 VanDerWaalsContact NE2-OE1 3.08Å; Q48-E52 PolarHBondContact O-N 3.13Å; K49-E52 PolarHBondContact O-N 3.2Å; E52-K54 VanDerWaalsContact C-N 3.33Å; E52-K54 PolarHBondContact O-N 2.84Å; E52-S55 PolarHBondContact O-N 3.33Å; E52-A56 PolarHBondContact O-N 2.9Å; E52-I142 HydrophobicContact CB-CD1 4.49Å; E52-Q292 PolarHBondContact OE2-NE2 3.17Å
53	I	83.3	Confident	78.1	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-57.3	-49	173.3	-66.8	163.1	0	0	0	109.9	K49 S55 A56 L57 F92 Y95 L96 Y100 I142	K49-I53 WeakPolarHBondContact O-CD1 3.28Å; K49-I53 VanDerWaalsContact O-CG1 3.25Å; K49-I53 WeakPolarHBondContact O-CG1 3.43Å; K49-I53 PolarHBondContact O-N 2.9Å; I53-S55 VanDerWaalsContact C-N 3.34Å; I53-S55 PolarHBondContact O-N 3.28Å; I53-A56 PolarHBondContact O-N 2.63Å; I53-L57 HydrophobicContact CG2-CD1 4Å; I53-L57 HydrophobicContact CG2-CG 4.37Å; I53-L57 WeakPolarHBondContact O-CG 3.45Å; I53-L57 PolarHBondContact O-N 3.39Å; I53-F92 HydrophobicContact CB-CE2 4.21Å; I53-F92 HydrophobicContact CG2-CD2 4.23Å; I53-F92 HydrophobicContact CG2-CE2 3.86Å; I53-Y95 HydrophobicContact CG2-CD1 3.62Å; I53-Y95 HydrophobicContact CG2-CE1 3.34Å; I53-L96 HydrophobicContact CD1-CD2 4.27Å; I53-L96 HydrophobicContact CG2-CD2 4.45Å; I53-Y100 HydrophobicContact CD1-CD2 3.76Å; I53-Y100 HydrophobicContact CD1-CE2 3.32Å; I53-I142 HydrophobicContact CG1-CD1 3.72Å; I53-I142 HydrophobicContact CG1-CG1 3.98Å
54	K	87.7	Confident	80.2	Confident	76 Å²	76	62.7 Å²	62.7	33%	0.33	34%	0.343	S	S	.	.	H	α-helix	trans	-58.9	-46.6	-179.9	-169.4	168.5	-175.9	167.6	0	111.4	E50 I51 E52 A56 L57 V58 D89 F92	E50-K54 VanDerWaalsContact O-CB 3.31Å; E50-K54 WeakPolarHBondContact O-CB 3.46Å; E50-K54 PolarHBondContact O-N 3.43Å; I51-K54 PolarHBondContact O-N 2.88Å; E52-K54 VanDerWaalsContact C-N 3.33Å; E52-K54 PolarHBondContact O-N 2.84Å; K54-A56 VanDerWaalsContact C-N 3.35Å; K54-A56 PolarHBondContact O-N 3.14Å; K54-L57 PolarHBondContact O-N 3.43Å; K54-V58 HydrophobicContact CG-CG2 4.41Å; K54-V58 WeakPolarHBondContact O-CB 3.41Å; K54-V58 WeakPolarHBondContact O-CG2 3.43Å; K54-V58 PolarHBondContact O-N 3.45Å; K54-D89 VanDerWaalsContact CE-OD1 3.31Å; K54-D89 WeakPolarHBondContact CE-OD1 3.35Å; K54-D89 IonicContact NZ-OD1 3.52Å; K54-D89 PolarHBondContact NZ-OD1 3.43Å; K54-F92 HydrophobicContact CB-CD2 3.75Å; K54-F92 HydrophobicContact CB-CE2 3.54Å; K54-F92 HydrophobicContact CB-CG 4.37Å; K54-F92 HydrophobicContact CB-CZ 3.97Å; K54-F92 HydrophobicContact CD-CD1 4.27Å; K54-F92 HydrophobicContact CD-CE1 4.31Å; K54-F92 HydrophobicContact CD-CG 4.37Å; K54-F92 HydrophobicContact CD-CZ 4.47Å; K54-F92 HydrophobicContact CG-CD2 4Å; K54-F92 HydrophobicContact CG-CE2 4.21Å; K54-F92 HydrophobicContact CG-CG 4.16Å
55	S	85.4	Confident	82.4	Confident	78 Å²	78	61.4 Å²	61.4	55%	0.545	32%	0.32	S	S	.	.	H	α-helix	trans	-60.1	-43.1	178.3	-174.7	0	0	0	0	112.3	I51 E52 I53 V58 Q59	I51-S55 WeakPolarHBondContact O-CB 3.36Å; I51-S55 PolarHBondContact O-N 2.95Å; E52-S55 PolarHBondContact O-N 3.33Å; I53-S55 VanDerWaalsContact C-N 3.34Å; I53-S55 PolarHBondContact O-N 3.28Å; S55-V58 PolarHBondContact O-N 2.97Å; S55-Q59 PolarHBondContact O-N 3Å
56	A	81.1	Confident	83.5	Confident	20 Å²	20	61 Å²	61	17%	0.165	32%	0.315	C	S	.	.	H	α-helix	trans	-63.7	-47.1	178.1	0	0	0	0	0	112	E52 I53 K54 V58 Q59 Q60 I142	E52-A56 PolarHBondContact O-N 2.9Å; I53-A56 PolarHBondContact O-N 2.63Å; K54-A56 VanDerWaalsContact C-N 3.35Å; K54-A56 PolarHBondContact O-N 3.14Å; A56-V58 PolarHBondContact O-N 3.5Å; A56-Q59 PolarHBondContact O-N 3.03Å; A56-Q60 WeakPolarHBondContact O-CB 3.35Å; A56-Q60 PolarHBondContact O-N 2.84Å; A56-I142 HydrophobicContact CB-CG2 3.58Å
57	L	86.2	Confident	84.6	Confident	4 Å²	4	62 Å²	62	2%	0.021	32%	0.317	C	S	.	.	H	α-helix	trans	-65.7	-37.7	178.3	-62.8	179.3	0	0	0	112.2	I53 K54 Q60 T61 Y91 F92 Y95 P143	I53-L57 HydrophobicContact CG2-CD1 4Å; I53-L57 HydrophobicContact CG2-CG 4.37Å; I53-L57 WeakPolarHBondContact O-CG 3.45Å; I53-L57 PolarHBondContact O-N 3.39Å; K54-L57 PolarHBondContact O-N 3.43Å; L57-Q60 PolarHBondContact O-N 3.17Å; L57-T61 WeakPolarHBondContact O-CB 3.39Å; L57-T61 WeakPolarHBondContact O-CG2 3.41Å; L57-T61 PolarHBondContact O-N 2.95Å; L57-T61 PolarHBondContact O-OG1 3.38Å; L57-Y91 HydrophobicContact CB-CD1 4.04Å; L57-Y91 HydrophobicContact CB-CE1 3.91Å; L57-Y91 HydrophobicContact CD1-CD1 4.32Å; L57-Y91 HydrophobicContact CD1-CE1 4.21Å; L57-Y91 HydrophobicContact CD2-CD1 4.5Å; L57-Y91 HydrophobicContact CD2-CE1 3.66Å; L57-Y91 HydrophobicContact CG-CE1 4.12Å; L57-F92 HydrophobicContact CD1-CD2 4.06Å; L57-Y95 HydrophobicContact CD1-CD1 3.75Å; L57-Y95 HydrophobicContact CD1-CD2 4.15Å; L57-Y95 HydrophobicContact CD1-CE1 4.46Å; L57-Y95 HydrophobicContact CD1-CG 3.57Å; L57-Y95 HydrophobicContact CD2-CD2 4.08Å; L57-Y95 HydrophobicContact CD2-CE2 4.28Å; L57-Y95 HydrophobicContact CD2-CG 4.34Å; L57-P143 HydrophobicContact CD2-CG 4.35Å
58	V	87.8	Confident	85.2	Confident	48 Å²	48	65.7 Å²	65.7	29%	0.291	32%	0.323	S	S	.	.	H	α-helix	trans	-58.7	-47.5	172.3	162.1	0	0	0	0	110.8	K54 S55 A56 Q60 T61 K62 Q88	K54-V58 HydrophobicContact CG-CG2 4.41Å; K54-V58 WeakPolarHBondContact O-CB 3.41Å; K54-V58 WeakPolarHBondContact O-CG2 3.43Å; K54-V58 PolarHBondContact O-N 3.45Å; S55-V58 PolarHBondContact O-N 2.97Å; A56-V58 PolarHBondContact O-N 3.5Å; V58-Q60 VanDerWaalsContact C-N 3.35Å; V58-Q60 PolarHBondContact O-N 3.44Å; V58-T61 PolarHBondContact O-N 3.29Å; V58-T61 PolarHBondContact O-OG1 3.32Å; V58-K62 PolarHBondContact O-N 3.32Å; V58-K62 VanDerWaalsContact O-N 3.09Å; V58-Q88 HydrophobicContact CG2-CB 4.26Å; V58-Q88 HydrophobicContact CG2-CG 4.21Å
59	Q	81.6	Confident	86	Confident	97 Å²	97	61.2 Å²	61.2	45%	0.453	30%	0.302	S	S	.	.	H	α-helix	trans	-65.7	-39.1	179.4	-175.2	64.9	30.5	0	0	111.8	S55 A56 T61 T145	S55-Q59 PolarHBondContact O-N 3Å; A56-Q59 PolarHBondContact O-N 3.03Å; Q59-T61 VanDerWaalsContact C-N 3.33Å; Q59-T61 PolarHBondContact O-N 3.07Å; Q59-T145 HydrophobicContact CB-CG2 4.09Å; Q59-T145 HydrophobicContact CG-CG2 3.61Å
60	Q	80	Confident	86.8	Confident	68 Å²	68	65.9 Å²	65.9	32%	0.318	32%	0.319	S	S	.	.	H	α-helix	trans	-64.9	-36.3	178.7	-174.7	-175.3	2.3	0	0	112.3	A56 L57 V58 T145	A56-Q60 WeakPolarHBondContact O-CB 3.35Å; A56-Q60 PolarHBondContact O-N 2.84Å; L57-Q60 PolarHBondContact O-N 3.17Å; V58-Q60 VanDerWaalsContact C-N 3.35Å; V58-Q60 PolarHBondContact O-N 3.44Å; Q60-T145 HydrophobicContact CB-CG2 4.29Å
61	T	85.9	Confident	87.3	Confident	11 Å²	11	67.7 Å²	67.7	7%	0.067	33%	0.328	C	S	.	.	H	α-helix	trans	-94.5	-8.7	-174	54.4	0	0	0	0	113.9	L57 V58 Q59 D63 L64 Y65 Y91	L57-T61 WeakPolarHBondContact O-CB 3.39Å; L57-T61 WeakPolarHBondContact O-CG2 3.41Å; L57-T61 PolarHBondContact O-N 2.95Å; L57-T61 PolarHBondContact O-OG1 3.38Å; V58-T61 PolarHBondContact O-N 3.29Å; V58-T61 PolarHBondContact O-OG1 3.32Å; Q59-T61 VanDerWaalsContact C-N 3.33Å; Q59-T61 PolarHBondContact O-N 3.07Å; T61-D63 PolarHBondContact O-N 3.03Å; T61-L64 PolarHBondContact O-N 3.12Å; T61-Y65 HydrophobicContact CG2-CD2 4.45Å; T61-Y65 HydrophobicContact CG2-CE1 4.26Å; T61-Y65 HydrophobicContact CG2-CE2 3.77Å; T61-Y65 WeakPolarHBondContact O-CB 3.5Å; T61-Y65 PolarHBondContact O-N 3.15Å; T61-Y65 WeakPolarHBondContact OG1-CE2 3.48Å; T61-Y91 HydrophobicContact CG2-CD1 3.68Å; T61-Y91 HydrophobicContact CG2-CE1 3.66Å
62	K	86.7	Confident	87.7	Confident	85 Å²	85	67.3 Å²	67.3	37%	0.37	32%	0.323	S	S	.	.	H	α-helix	trans	-49.5	-60.3	-169.4	-176.7	-176.9	176.7	-175.6	0	113.7	V58 L64 Y65 E66	V58-K62 PolarHBondContact O-N 3.32Å; V58-K62 VanDerWaalsContact O-N 3.09Å; K62-L64 VanDerWaalsContact C-N 3.32Å; K62-L64 PolarHBondContact O-N 3.35Å; K62-Y65 PolarHBondContact O-N 2.91Å; K62-E66 WeakPolarHBondContact CE-OE1 3.41Å; K62-E66 HydrophobicContact CG-CG 4.4Å; K62-E66 WeakPolarHBondContact CG-OE1 3.22Å; K62-E66 VanDerWaalsContact O-CB 3.3Å; K62-E66 WeakPolarHBondContact O-CB 3.37Å; K62-E66 VanDerWaalsContact O-CG 3.29Å; K62-E66 WeakPolarHBondContact O-CG 3.41Å; K62-E66 PolarHBondContact O-N 3.41Å
63	D	83	Confident	88.3	Confident	96 Å²	96	67.3 Å²	67.3	51%	0.513	32%	0.323	S	S	.	.	H	α-helix	trans	-65.2	-38.9	-172.3	-67.8	-25.2	0	0	0	111.6	T61 Q67	T61-D63 PolarHBondContact O-N 3.03Å; D63-Q67 WeakPolarHBondContact O-CB 3.48Å; D63-Q67 PolarHBondContact O-N 3.37Å
64	L	87.1	Confident	88.8	Confident	108 Å²	108	71.7 Å²	71.7	57%	0.565	35%	0.351	S	S	*	.	H	α-helix	trans	-63.5	-50	177.6	177.3	63.4	0	0	0	111.2	T61 K62 Q67 Y68	T61-L64 PolarHBondContact O-N 3.12Å; K62-L64 VanDerWaalsContact C-N 3.32Å; K62-L64 PolarHBondContact O-N 3.35Å; L64-Q67 PolarHBondContact O-N 3.2Å; L64-Y68 WeakPolarHBondContact O-CB 3.2Å; L64-Y68 PolarHBondContact O-N 2.71Å
65	Y	93.4	Very high	89	Confident	33 Å²	33	77.9 Å²	77.9	13%	0.129	38%	0.378	C	S	.	.	H	α-helix	trans	-70.5	-36.6	-177.3	-70.7	-1.3	0	0	0	111.7	T61 K62 A69 M87 Q88	T61-Y65 HydrophobicContact CG2-CD2 4.45Å; T61-Y65 HydrophobicContact CG2-CE1 4.26Å; T61-Y65 HydrophobicContact CG2-CE2 3.77Å; T61-Y65 WeakPolarHBondContact O-CB 3.5Å; T61-Y65 PolarHBondContact O-N 3.15Å; T61-Y65 WeakPolarHBondContact OG1-CE2 3.48Å; K62-Y65 PolarHBondContact O-N 2.91Å; Y65-A69 WeakPolarHBondContact O-CB 3.34Å; Y65-A69 PolarHBondContact O-N 3.46Å; Y65-M87 HydrophobicContact CD1-CE 3.91Å; Y65-M87 HydrophobicContact CD1-SD 4.29Å; Y65-M87 HydrophobicContact CD2-CB 3.94Å; Y65-M87 HydrophobicContact CD2-CE 4.17Å; Y65-M87 HydrophobicContact CE1-CB 4.48Å; Y65-M87 HydrophobicContact CE2-CB 3.77Å; Y65-M87 HydrophobicContact CG-CB 4.37Å; Y65-M87 HydrophobicContact CG-CE 3.62Å; Y65-M87 HydrophobicContact CG-SD 4.5Å; Y65-Q88 HydrophobicContact CD2-CG 3.58Å; Y65-Q88 HydrophobicContact CE2-CG 3.69Å
66	E	92.4	Very high	89.4	Confident	64 Å²	64	77 Å²	77	30%	0.299	37%	0.367	S	S	.	.	H	α-helix	trans	-62.8	-42.1	172.1	-77.4	-175.5	-169.1	0	0	112.1	K62 R70 I84	K62-E66 WeakPolarHBondContact CE-OE1 3.41Å; K62-E66 HydrophobicContact CG-CG 4.4Å; K62-E66 WeakPolarHBondContact CG-OE1 3.22Å; K62-E66 VanDerWaalsContact O-CB 3.3Å; K62-E66 WeakPolarHBondContact O-CB 3.37Å; K62-E66 VanDerWaalsContact O-CG 3.29Å; K62-E66 WeakPolarHBondContact O-CG 3.41Å; K62-E66 PolarHBondContact O-N 3.41Å; E66-R70 WeakPolarHBondContact O-CB 3.38Å; E66-R70 PolarHBondContact O-N 3.41Å; E66-I84 HydrophobicContact CG-CD1 3.9Å
67	Q	89.8	Confident	90.1	Very high	105 Å²	105	81.6 Å²	81.6	49%	0.491	39%	0.388	S	S	.	.	H	α-helix	trans	-64.4	-51.7	176.2	-179.6	175.9	-13.7	0	0	111.2	D63 L64 A69 R70 E71	D63-Q67 WeakPolarHBondContact O-CB 3.48Å; D63-Q67 PolarHBondContact O-N 3.37Å; L64-Q67 PolarHBondContact O-N 3.2Å; Q67-A69 VanDerWaalsContact C-N 3.31Å; Q67-A69 PolarHBondContact O-N 2.81Å; Q67-R70 WeakPolarHBondContact O-CB 3.28Å; Q67-R70 PolarHBondContact O-N 3.17Å; Q67-R70 VanDerWaalsContact O-N 3.12Å; Q67-E71 PolarHBondContact NE2-OE1 2.72Å; Q67-E71 PolarHBondContact O-N 3.08Å
68	Y	92.1	Very high	90.5	Very high	107 Å²	107	87.4 Å²	87.4	42%	0.42	42%	0.415	S	S	.	.	H	α-helix	trans	-58.4	-44.3	179.6	-178.2	-104.6	0	0	0	111.5	L64 R70 E71 Q72 L83 M87	L64-Y68 WeakPolarHBondContact O-CB 3.2Å; L64-Y68 PolarHBondContact O-N 2.71Å; Y68-R70 VanDerWaalsContact C-N 3.33Å; Y68-R70 PolarHBondContact O-N 3.15Å; Y68-E71 PolarHBondContact O-N 2.89Å; Y68-Q72 HydrophobicContact CD1-CG 4.28Å; Y68-Q72 HydrophobicContact CE1-CG 3.92Å; Y68-Q72 HydrophobicContact CE2-CG 4.29Å; Y68-Q72 WeakPolarHBondContact O-CG 3.33Å; Y68-Q72 PolarHBondContact O-N 3.08Å; Y68-L83 HydrophobicContact CD1-CD2 4.02Å; Y68-L83 HydrophobicContact CE1-CD2 4.04Å; Y68-M87 HydrophobicContact CD1-CE 3.96Å; Y68-M87 HydrophobicContact CD1-SD 3.56Å; Y68-M87 VanDerWaalsContact CD1-SD 3.56Å; Y68-M87 HydrophobicContact CE1-SD 3.86Å
69	A	95	Very high	90.8	Very high	0 Å²	0	90.2 Å²	90.2	0%	0	42%	0.424	C	S	.	.	H	α-helix	trans	-62.6	-39.1	176.9	0	0	0	0	0	112.8	Y65 Q67 E71 Q72 F73 Q80 L83 I84	Y65-A69 WeakPolarHBondContact O-CB 3.34Å; Y65-A69 PolarHBondContact O-N 3.46Å; Q67-A69 VanDerWaalsContact C-N 3.31Å; Q67-A69 PolarHBondContact O-N 2.81Å; A69-E71 VanDerWaalsContact C-N 3.3Å; A69-E71 PolarHBondContact O-N 3.37Å; A69-Q72 PolarHBondContact O-N 2.93Å; A69-F73 PolarHBondContact O-N 3.46Å; A69-Q80 HydrophobicContact CB-CB 4.02Å; A69-Q80 HydrophobicContact CB-CG 4.14Å; A69-Q80 WeakPolarHBondContact O-CG 3.21Å; A69-L83 HydrophobicContact CB-CD2 4.09Å; A69-I84 HydrophobicContact CB-CD1 4.02Å; A69-I84 HydrophobicContact CB-CG1 3.75Å
70	R	94.5	Very high	91.4	Very high	130 Å²	130	86.5 Å²	86.5	49%	0.491	41%	0.406	S	S	.	.	H	α-helix	trans	-65	-33.1	175.9	-167.1	-178.9	-58.9	117.9	4.7	112.4	E66 Q67 Y68 P74	E66-R70 WeakPolarHBondContact O-CB 3.38Å; E66-R70 PolarHBondContact O-N 3.41Å; Q67-R70 WeakPolarHBondContact O-CB 3.28Å; Q67-R70 PolarHBondContact O-N 3.17Å; Q67-R70 VanDerWaalsContact O-N 3.12Å; Y68-R70 VanDerWaalsContact C-N 3.33Å; Y68-R70 PolarHBondContact O-N 3.15Å; R70-P74 WeakPolarHBondContact O-CA 3.14Å; R70-P74 VanDerWaalsContact O-CG 3.31Å; R70-P74 WeakPolarHBondContact O-CG 3.43Å
71	E	93.7	Very high	92.1	Very high	119 Å²	119	88.9 Å²	88.9	56%	0.556	42%	0.416	S	S	*	.	H	α-helix	trans	-71.6	-43.2	175.5	-70.4	173.4	-168.1	0	0	111.9	Q67 Y68 A69	Q67-E71 PolarHBondContact NE2-OE1 2.72Å; Q67-E71 PolarHBondContact O-N 3.08Å; Y68-E71 PolarHBondContact O-N 2.89Å; A69-E71 VanDerWaalsContact C-N 3.3Å; A69-E71 PolarHBondContact O-N 3.37Å
72	Q	94.2	Very high	92.6	Very high	96 Å²	96	91.2 Å²	91.2	45%	0.449	44%	0.436	S	S	.	.	H	α-helix	trans	-70.8	-38.5	179	-62.4	-55.7	-36.8	0	0	112.6	Y68 A69 L83	Y68-Q72 HydrophobicContact CD1-CG 4.28Å; Y68-Q72 HydrophobicContact CE1-CG 3.92Å; Y68-Q72 HydrophobicContact CE2-CG 4.29Å; Y68-Q72 WeakPolarHBondContact O-CG 3.33Å; Y68-Q72 PolarHBondContact O-N 3.08Å; A69-Q72 PolarHBondContact O-N 2.93Å; Q72-L83 HydrophobicContact CB-CD2 4.2Å; Q72-L83 HydrophobicContact CG-CD2 4.21Å
73	F	94.2	Very high	93	Very high	69 Å²	69	88.6 Å²	88.6	30%	0.303	43%	0.426	S	S	.	.			trans	-132.3	64.2	-175.1	-59.2	-65.3	0	0	0	113.6	A69 K75 D76 K79 Q80 L83	A69-F73 PolarHBondContact O-N 3.46Å; F73-K75 PolarHBondContact O-N 3.26Å; F73-D76 HydrophobicContact CB-CB 4.42Å; F73-D76 PolarHBondContact O-N 3.43Å; F73-K79 HydrophobicContact CB-CB 4.04Å; F73-K79 HydrophobicContact CD1-CB 3.93Å; F73-K79 HydrophobicContact CD1-CD 3.61Å; F73-K79 HydrophobicContact CD1-CG 4.44Å; F73-K79 HydrophobicContact CD2-CB 3.78Å; F73-K79 HydrophobicContact CE1-CB 4.34Å; F73-K79 HydrophobicContact CE1-CD 3.67Å; F73-K79 HydrophobicContact CE2-CB 4.18Å; F73-K79 HydrophobicContact CG-CB 3.64Å; F73-K79 HydrophobicContact CG-CD 4.21Å; F73-K79 HydrophobicContact CZ-CB 4.45Å; F73-K79 HydrophobicContact CZ-CD 4.29Å; F73-Q80 HydrophobicContact CB-CG 4Å; F73-Q80 PolarHBondContact O-NE2 2.93Å; F73-L83 HydrophobicContact CD2-CD2 4.18Å; F73-L83 HydrophobicContact CE2-CB 4.35Å; F73-L83 HydrophobicContact CE2-CD2 4.01Å
74	P	93	Very high	93.6	Very high	91 Å²	91	85.3 Å²	85.3	59%	0.591	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-23.5	-168	-24.8	31.9	0	0	0	117.1	R70	R70-P74 WeakPolarHBondContact O-CA 3.14Å; R70-P74 VanDerWaalsContact O-CG 3.31Å; R70-P74 WeakPolarHBondContact O-CG 3.43Å
75	K	91.8	Very high	93.9	Very high	207 Å²	207	83.7 Å²	83.7	90%	0.9	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.2	-2.5	-174.4	-61.4	-176.3	-178.4	178	0	114	F73	F73-K75 PolarHBondContact O-N 3.26Å
76	D	94.5	Very high	94	Very high	59 Å²	59	87.1 Å²	87.1	32%	0.316	42%	0.42	S	S	.	.			trans	-120.4	92.2	-171.1	-168.4	-24.5	0	0	0	110.1	F73 E78 K79 Q80	F73-D76 HydrophobicContact CB-CB 4.42Å; F73-D76 PolarHBondContact O-N 3.43Å; D76-E78 VanDerWaalsContact C-N 3.27Å; D76-E78 PolarHBondContact O-N 3.26Å; D76-E78 PolarHBondContact OD1-N 3.5Å; D76-K79 HydrophobicContact CB-CB 4.13Å; D76-K79 HydrophobicContact CB-CD 4.27Å; D76-K79 HydrophobicContact CB-CG 4.34Å; D76-K79 PolarHBondContact O-N 3.07Å; D76-K79 PolarHBondContact OD1-N 3.37Å; D76-K79 VanDerWaalsContact OD1-N 3.11Å; D76-K79 WeakPolarHBondContact OD2-CD 3.15Å; D76-K79 WeakPolarHBondContact OD2-CE 3.41Å; D76-K79 WeakPolarHBondContact OD2-CG 3.47Å; D76-K79 IonicContact OD2-NZ 3.63Å; D76-Q80 WeakPolarHBondContact O-CG 3.5Å; D76-Q80 PolarHBondContact O-N 3.47Å
77	L	94.6	Very high	94.1	Very high	117 Å²	117	85.4 Å²	85.4	61%	0.613	41%	0.412	S	S	*	.	H	α-helix	trans	-64.9	-30.1	-177.2	-67.1	176.7	0	0	0	112.9	Q80 K81	L77-Q80 PolarHBondContact O-N 3.2Å; L77-K81 WeakPolarHBondContact O-CG 3.46Å; L77-K81 PolarHBondContact O-N 3.34Å
78	E	95.1	Very high	94.3	Very high	126 Å²	126	81.7 Å²	81.7	59%	0.589	40%	0.395	S	S	*	.	H	α-helix	trans	-73	-40.4	179.4	-72.8	-61.6	121.9	0	0	110.6	D76 Q80 K81 A82	D76-E78 VanDerWaalsContact C-N 3.27Å; D76-E78 PolarHBondContact O-N 3.26Å; D76-E78 PolarHBondContact OD1-N 3.5Å; E78-Q80 VanDerWaalsContact C-N 3.35Å; E78-K81 PolarHBondContact O-N 2.95Å; E78-K81 IonicContact OE1-NZ 3.14Å; E78-K81 PolarHBondContact OE1-NZ 3.34Å; E78-A82 WeakPolarHBondContact O-CB 3.48Å; E78-A82 PolarHBondContact O-N 2.67Å
79	K	94.6	Very high	94.3	Very high	107 Å²	107	79.3 Å²	79.3	47%	0.465	39%	0.389	S	S	.	.	H	α-helix	trans	-65.7	-36.8	171.2	-71.4	-175.5	-171.6	173.2	0	112.9	F73 D76 A82 L83	F73-K79 HydrophobicContact CB-CB 4.04Å; F73-K79 HydrophobicContact CD1-CB 3.93Å; F73-K79 HydrophobicContact CD1-CD 3.61Å; F73-K79 HydrophobicContact CD1-CG 4.44Å; F73-K79 HydrophobicContact CD2-CB 3.78Å; F73-K79 HydrophobicContact CE1-CB 4.34Å; F73-K79 HydrophobicContact CE1-CD 3.67Å; F73-K79 HydrophobicContact CE2-CB 4.18Å; F73-K79 HydrophobicContact CG-CB 3.64Å; F73-K79 HydrophobicContact CG-CD 4.21Å; F73-K79 HydrophobicContact CZ-CB 4.45Å; F73-K79 HydrophobicContact CZ-CD 4.29Å; D76-K79 HydrophobicContact CB-CB 4.13Å; D76-K79 HydrophobicContact CB-CD 4.27Å; D76-K79 HydrophobicContact CB-CG 4.34Å; D76-K79 PolarHBondContact O-N 3.07Å; D76-K79 PolarHBondContact OD1-N 3.37Å; D76-K79 VanDerWaalsContact OD1-N 3.11Å; D76-K79 WeakPolarHBondContact OD2-CD 3.15Å; D76-K79 WeakPolarHBondContact OD2-CE 3.41Å; D76-K79 WeakPolarHBondContact OD2-CG 3.47Å; D76-K79 IonicContact OD2-NZ 3.63Å; K79-A82 PolarHBondContact O-N 3.03Å; K79-L83 WeakPolarHBondContact O-CB 2.83Å; K79-L83 PolarHBondContact O-N 2.96Å
80	Q	94.8	Very high	94.2	Very high	19 Å²	19	84.6 Å²	84.6	9%	0.089	41%	0.414	C	S	.	.	H	α-helix	trans	-59.2	-50.8	174.1	-72.4	177.6	26.4	0	0	111.2	A69 F73 D76 L77 E78 A82 L83 I84	A69-Q80 HydrophobicContact CB-CB 4.02Å; A69-Q80 HydrophobicContact CB-CG 4.14Å; A69-Q80 WeakPolarHBondContact O-CG 3.21Å; F73-Q80 HydrophobicContact CB-CG 4Å; F73-Q80 PolarHBondContact O-NE2 2.93Å; D76-Q80 WeakPolarHBondContact O-CG 3.5Å; D76-Q80 PolarHBondContact O-N 3.47Å; L77-Q80 PolarHBondContact O-N 3.2Å; E78-Q80 VanDerWaalsContact C-N 3.35Å; Q80-A82 PolarHBondContact O-N 3.34Å; Q80-L83 PolarHBondContact O-N 3.04Å; Q80-I84 WeakPolarHBondContact O-CD1 3.07Å; Q80-I84 VanDerWaalsContact O-CG1 3.23Å; Q80-I84 WeakPolarHBondContact O-CG1 3.16Å; Q80-I84 PolarHBondContact O-N 2.78Å
81	K	94.8	Very high	93.9	Very high	118 Å²	118	80.8 Å²	80.8	51%	0.513	40%	0.4	S	S	.	.	H	α-helix	trans	-60.4	-46.5	178.1	-71.9	173.7	-171	167.1	0	112.2	L77 E78 L83 I84 T85	L77-K81 WeakPolarHBondContact O-CG 3.46Å; L77-K81 PolarHBondContact O-N 3.34Å; E78-K81 PolarHBondContact O-N 2.95Å; E78-K81 IonicContact OE1-NZ 3.14Å; E78-K81 PolarHBondContact OE1-NZ 3.34Å; K81-L83 VanDerWaalsContact C-N 3.31Å; K81-L83 PolarHBondContact O-N 2.77Å; K81-I84 PolarHBondContact O-N 3.45Å; K81-T85 PolarHBondContact O-N 2.85Å; K81-T85 PolarHBondContact O-OG1 2.86Å; K81-T85 VanDerWaalsContact O-OG1 3.11Å
82	A	95.4	Very high	93.8	Very high	60 Å²	60	76.4 Å²	76.4	50%	0.496	38%	0.379	S	S	.	.	H	α-helix	trans	-59.1	-43.9	179.1	0	0	0	0	0	111.7	E78 K79 Q80 T85 E86	E78-A82 WeakPolarHBondContact O-CB 3.48Å; E78-A82 PolarHBondContact O-N 2.67Å; K79-A82 PolarHBondContact O-N 3.03Å; Q80-A82 PolarHBondContact O-N 3.34Å; A82-T85 PolarHBondContact O-N 2.79Å; A82-E86 WeakPolarHBondContact O-CB 3.27Å; A82-E86 PolarHBondContact O-N 2.83Å
83	L	95.1	Very high	93.6	Very high	30 Å²	30	78.4 Å²	78.4	16%	0.157	39%	0.388	C	S	.	.	H	α-helix	trans	-65	-42.7	177	-175.5	68.9	0	0	0	112.1	Y68 A69 Q72 F73 K79 Q80 K81 E86 M87	Y68-L83 HydrophobicContact CD1-CD2 4.02Å; Y68-L83 HydrophobicContact CE1-CD2 4.04Å; A69-L83 HydrophobicContact CB-CD2 4.09Å; Q72-L83 HydrophobicContact CB-CD2 4.2Å; Q72-L83 HydrophobicContact CG-CD2 4.21Å; F73-L83 HydrophobicContact CD2-CD2 4.18Å; F73-L83 HydrophobicContact CE2-CB 4.35Å; F73-L83 HydrophobicContact CE2-CD2 4.01Å; K79-L83 WeakPolarHBondContact O-CB 2.83Å; K79-L83 PolarHBondContact O-N 2.96Å; Q80-L83 PolarHBondContact O-N 3.04Å; K81-L83 VanDerWaalsContact C-N 3.31Å; K81-L83 PolarHBondContact O-N 2.77Å; L83-E86 PolarHBondContact O-N 3.34Å; L83-M87 HydrophobicContact CD1-CG 4.49Å; L83-M87 HydrophobicContact CD2-CE 4.46Å; L83-M87 HydrophobicContact CG-CE 4.08Å; L83-M87 HydrophobicContact CG-SD 4.31Å; L83-M87 VanDerWaalsContact O-CG 3.32Å; L83-M87 WeakPolarHBondContact O-CG 3.12Å; L83-M87 PolarHBondContact O-N 3.07Å
84	I	94.9	Very high	93.3	Very high	27 Å²	27	80.1 Å²	80.1	14%	0.138	40%	0.397	C	S	.	.	H	α-helix	trans	-60.5	-48.2	177	-67.5	162.4	0	0	0	110.2	E66 A69 Q80 K81 E86 M87 Q88	E66-I84 HydrophobicContact CG-CD1 3.9Å; A69-I84 HydrophobicContact CB-CD1 4.02Å; A69-I84 HydrophobicContact CB-CG1 3.75Å; Q80-I84 WeakPolarHBondContact O-CD1 3.07Å; Q80-I84 VanDerWaalsContact O-CG1 3.23Å; Q80-I84 WeakPolarHBondContact O-CG1 3.16Å; Q80-I84 PolarHBondContact O-N 2.78Å; K81-I84 PolarHBondContact O-N 3.45Å; I84-E86 PolarHBondContact O-N 2.84Å; I84-M87 HydrophobicContact CG1-CE 4.49Å; I84-M87 PolarHBondContact O-N 3.3Å; I84-Q88 HydrophobicContact CG2-CG 4.34Å; I84-Q88 WeakPolarHBondContact O-CB 3.35Å; I84-Q88 VanDerWaalsContact O-CG 3.25Å; I84-Q88 WeakPolarHBondContact O-CG 3.45Å; I84-Q88 PolarHBondContact O-N 2.69Å
85	T	94.7	Very high	93	Very high	73 Å²	73	76 Å²	76	45%	0.448	37%	0.37	S	S	.	.	H	α-helix	trans	-59.4	-45.9	177.6	-58.4	0	0	0	0	111.4	K81 A82 M87 Q88 D89	K81-T85 PolarHBondContact O-N 2.85Å; K81-T85 PolarHBondContact O-OG1 2.86Å; K81-T85 VanDerWaalsContact O-OG1 3.11Å; A82-T85 PolarHBondContact O-N 2.79Å; T85-M87 PolarHBondContact O-N 3.36Å; T85-Q88 PolarHBondContact O-N 3Å; T85-D89 WeakPolarHBondContact O-CB 3.49Å; T85-D89 PolarHBondContact O-N 3.03Å
86	E	94.9	Very high	92.8	Very high	106 Å²	106	67.9 Å²	67.9	50%	0.495	34%	0.336	S	S	.	.	H	α-helix	trans	-59.4	-47.5	178	-178.1	179.8	179.8	0	0	112	A82 L83 I84 Q88 D89 Q90	A82-E86 WeakPolarHBondContact O-CB 3.27Å; A82-E86 PolarHBondContact O-N 2.83Å; L83-E86 PolarHBondContact O-N 3.34Å; I84-E86 PolarHBondContact O-N 2.84Å; E86-Q88 VanDerWaalsContact C-N 3.33Å; E86-Q88 PolarHBondContact O-N 3.48Å; E86-D89 PolarHBondContact O-N 2.96Å; E86-Q90 WeakPolarHBondContact O-CB 3.5Å; E86-Q90 WeakPolarHBondContact O-CG 3.4Å; E86-Q90 PolarHBondContact O-N 3.11Å
87	M	94.7	Very high	92.3	Very high	28 Å²	28	68.1 Å²	68.1	14%	0.138	34%	0.343	C	S	.	.	H	α-helix	trans	-63.9	-38.4	177.7	-69.4	-174.5	-56.6	0	0	112	Y65 Y68 L83 I84 T85 Y91	Y65-M87 HydrophobicContact CD1-CE 3.91Å; Y65-M87 HydrophobicContact CD1-SD 4.29Å; Y65-M87 HydrophobicContact CD2-CB 3.94Å; Y65-M87 HydrophobicContact CD2-CE 4.17Å; Y65-M87 HydrophobicContact CE1-CB 4.48Å; Y65-M87 HydrophobicContact CE2-CB 3.77Å; Y65-M87 HydrophobicContact CG-CB 4.37Å; Y65-M87 HydrophobicContact CG-CE 3.62Å; Y65-M87 HydrophobicContact CG-SD 4.5Å; Y68-M87 HydrophobicContact CD1-CE 3.96Å; Y68-M87 HydrophobicContact CD1-SD 3.56Å; Y68-M87 VanDerWaalsContact CD1-SD 3.56Å; Y68-M87 HydrophobicContact CE1-SD 3.86Å; L83-M87 HydrophobicContact CD1-CG 4.49Å; L83-M87 HydrophobicContact CD2-CE 4.46Å; L83-M87 HydrophobicContact CG-CE 4.08Å; L83-M87 HydrophobicContact CG-SD 4.31Å; L83-M87 VanDerWaalsContact O-CG 3.32Å; L83-M87 WeakPolarHBondContact O-CG 3.12Å; L83-M87 PolarHBondContact O-N 3.07Å; I84-M87 HydrophobicContact CG1-CE 4.49Å; I84-M87 PolarHBondContact O-N 3.3Å; T85-M87 PolarHBondContact O-N 3.36Å; M87-Y91 VanDerWaalsContact O-CB 3.28Å; M87-Y91 WeakPolarHBondContact O-CB 3.17Å; M87-Y91 PolarHBondContact O-N 2.74Å
88	Q	93.5	Very high	91.6	Very high	26 Å²	26	68.8 Å²	68.8	12%	0.121	34%	0.343	C	S	.	.	H	α-helix	trans	-67.8	-41.5	177.6	-73.6	175.6	-24.5	0	0	112.2	V58 Y65 I84 T85 E86 Y91 F92	V58-Q88 HydrophobicContact CG2-CB 4.26Å; V58-Q88 HydrophobicContact CG2-CG 4.21Å; Y65-Q88 HydrophobicContact CD2-CG 3.58Å; Y65-Q88 HydrophobicContact CE2-CG 3.69Å; I84-Q88 HydrophobicContact CG2-CG 4.34Å; I84-Q88 WeakPolarHBondContact O-CB 3.35Å; I84-Q88 VanDerWaalsContact O-CG 3.25Å; I84-Q88 WeakPolarHBondContact O-CG 3.45Å; I84-Q88 PolarHBondContact O-N 2.69Å; T85-Q88 PolarHBondContact O-N 3Å; E86-Q88 VanDerWaalsContact C-N 3.33Å; E86-Q88 PolarHBondContact O-N 3.48Å; Q88-Y91 PolarHBondContact O-N 2.97Å; Q88-F92 VanDerWaalsContact O-CB 3.25Å; Q88-F92 WeakPolarHBondContact O-CB 3.47Å; Q88-F92 PolarHBondContact O-N 3.24Å
89	D	92.4	Very high	91	Very high	58 Å²	58	65.2 Å²	65.2	31%	0.31	33%	0.329	S	S	.	.	H	α-helix	trans	-65.8	-44.7	176.9	-73.1	-20.9	0	0	0	110.7	K54 T85 E86 Y91 F92 E93	K54-D89 VanDerWaalsContact CE-OD1 3.31Å; K54-D89 WeakPolarHBondContact CE-OD1 3.35Å; K54-D89 IonicContact NZ-OD1 3.52Å; K54-D89 PolarHBondContact NZ-OD1 3.43Å; T85-D89 WeakPolarHBondContact O-CB 3.49Å; T85-D89 PolarHBondContact O-N 3.03Å; E86-D89 PolarHBondContact O-N 2.96Å; D89-Y91 PolarHBondContact O-N 2.66Å; D89-F92 PolarHBondContact O-N 3Å; D89-E93 WeakPolarHBondContact O-CG 3.45Å; D89-E93 PolarHBondContact O-N 2.99Å
90	Q	92.1	Very high	90.4	Very high	110 Å²	110	61.4 Å²	61.4	51%	0.514	31%	0.312	S	S	.	.	H	α-helix	trans	-60.6	-44.4	174.9	-75.1	177.8	-5.7	0	0	112.4	E86 F92 E93 H94	E86-Q90 WeakPolarHBondContact O-CB 3.5Å; E86-Q90 WeakPolarHBondContact O-CG 3.4Å; E86-Q90 PolarHBondContact O-N 3.11Å; Q90-F92 VanDerWaalsContact C-N 3.34Å; Q90-E93 PolarHBondContact O-N 3.49Å; Q90-H94 WeakPolarHBondContact O-CB 3.41Å; Q90-H94 PolarHBondContact O-N 3.49Å
91	Y	89.7	Confident	89.8	Confident	51 Å²	51	69.4 Å²	69.4	20%	0.2	34%	0.341	C	S	.	.	H	α-helix	trans	-65.2	-40.3	178.5	-178.5	-126.8	0	0	0	111.8	L57 T61 M87 Q88 D89 H94 Y95	L57-Y91 HydrophobicContact CB-CD1 4.04Å; L57-Y91 HydrophobicContact CB-CE1 3.91Å; L57-Y91 HydrophobicContact CD1-CD1 4.32Å; L57-Y91 HydrophobicContact CD1-CE1 4.21Å; L57-Y91 HydrophobicContact CD2-CD1 4.5Å; L57-Y91 HydrophobicContact CD2-CE1 3.66Å; L57-Y91 HydrophobicContact CG-CE1 4.12Å; T61-Y91 HydrophobicContact CG2-CD1 3.68Å; T61-Y91 HydrophobicContact CG2-CE1 3.66Å; M87-Y91 VanDerWaalsContact O-CB 3.28Å; M87-Y91 WeakPolarHBondContact O-CB 3.17Å; M87-Y91 PolarHBondContact O-N 2.74Å; Q88-Y91 PolarHBondContact O-N 2.97Å; D89-Y91 PolarHBondContact O-N 2.66Å; Y91-H94 PolarHBondContact O-N 3.48Å; Y91-Y95 VanDerWaalsContact O-CB 3.26Å; Y91-Y95 WeakPolarHBondContact O-CB 3.24Å; Y91-Y95 PolarHBondContact O-N 2.88Å
92	F	91.4	Very high	89.1	Confident	26 Å²	26	70.9 Å²	70.9	11%	0.114	35%	0.348	C	S	.	.	H	α-helix	trans	-63	-46	176.2	177.9	-110.5	0	0	0	112.1	E50 I53 K54 L57 Q88 D89 Q90 H94 Y95 L96	E50-F92 HydrophobicContact CB-CZ 4.16Å; E50-F92 WeakPolarHBondContact O-CE2 3.48Å; E50-F92 WeakPolarHBondContact O-CZ 3.36Å; I53-F92 HydrophobicContact CB-CE2 4.21Å; I53-F92 HydrophobicContact CG2-CD2 4.23Å; I53-F92 HydrophobicContact CG2-CE2 3.86Å; K54-F92 HydrophobicContact CB-CD2 3.75Å; K54-F92 HydrophobicContact CB-CE2 3.54Å; K54-F92 HydrophobicContact CB-CG 4.37Å; K54-F92 HydrophobicContact CB-CZ 3.97Å; K54-F92 HydrophobicContact CD-CD1 4.27Å; K54-F92 HydrophobicContact CD-CE1 4.31Å; K54-F92 HydrophobicContact CD-CG 4.37Å; K54-F92 HydrophobicContact CD-CZ 4.47Å; K54-F92 HydrophobicContact CG-CD2 4Å; K54-F92 HydrophobicContact CG-CE2 4.21Å; K54-F92 HydrophobicContact CG-CG 4.16Å; L57-F92 HydrophobicContact CD1-CD2 4.06Å; Q88-F92 VanDerWaalsContact O-CB 3.25Å; Q88-F92 WeakPolarHBondContact O-CB 3.47Å; Q88-F92 PolarHBondContact O-N 3.24Å; D89-F92 PolarHBondContact O-N 3Å; Q90-F92 VanDerWaalsContact C-N 3.34Å; F92-H94 PolarHBondContact O-N 3.11Å; F92-Y95 PolarHBondContact O-N 3.32Å; F92-L96 HydrophobicContact CD1-CD1 4.1Å; F92-L96 HydrophobicContact CD2-CD1 4.44Å; F92-L96 HydrophobicContact CD2-CG 4.37Å; F92-L96 HydrophobicContact CE1-CD1 3.46Å; F92-L96 VanDerWaalsContact CE1-CD1 3.46Å; F92-L96 HydrophobicContact CE1-CG 4.36Å; F92-L96 HydrophobicContact CE2-CD1 3.84Å; F92-L96 HydrophobicContact CE2-CD2 4.33Å; F92-L96 HydrophobicContact CE2-CG 3.99Å; F92-L96 HydrophobicContact CZ-CD1 3.33Å; F92-L96 HydrophobicContact CZ-CD2 4.49Å; F92-L96 HydrophobicContact CZ-CG 4.02Å; F92-L96 WeakPolarHBondContact O-CG 3.43Å; F92-L96 PolarHBondContact O-N 3.47Å
93	E	90.5	Very high	88.5	Confident	138 Å²	138	69.3 Å²	69.3	65%	0.645	33%	0.331	S	S	*	.	H	α-helix	trans	-59.7	-47.4	176.4	-74.5	-177.5	175.1	0	0	111.7	D89 Q90 Y95 L96 S97	D89-E93 WeakPolarHBondContact O-CG 3.45Å; D89-E93 PolarHBondContact O-N 2.99Å; Q90-E93 PolarHBondContact O-N 3.49Å; E93-Y95 PolarHBondContact O-N 3.48Å; E93-L96 PolarHBondContact O-N 3.05Å; E93-S97 PolarHBondContact O-N 3.5Å; E93-S97 PolarHBondContact O-OG 2.99Å
94	H	87.4	Confident	87.7	Confident	106 Å²	106	71.1 Å²	71.1	49%	0.491	34%	0.34	S	S	.	.	H	α-helix	trans	-62.1	-42.7	177.4	178.7	-83.2	0	0	0	112.2	Q90 Y91 F92 S97 E98	Q90-H94 WeakPolarHBondContact O-CB 3.41Å; Q90-H94 PolarHBondContact O-N 3.49Å; Y91-H94 PolarHBondContact O-N 3.48Å; F92-H94 PolarHBondContact O-N 3.11Å; H94-S97 PolarHBondContact O-N 3.34Å; H94-S97 PolarHBondContact O-OG 3.34Å; H94-S97 VanDerWaalsContact O-OG 3.11Å; H94-E98 PolarHBondContact O-N 2.95Å
95	Y	87.3	Confident	87.1	Confident	4 Å²	4	74.8 Å²	74.8	2%	0.016	36%	0.363	C	S	.	.	I	π-helix	trans	-61.2	-46.2	177.3	175.1	-88.9	0	0	0	111.5	I53 L57 Y91 F92 E93 S97 V99 Y100 Q103 P143	I53-Y95 HydrophobicContact CG2-CD1 3.62Å; I53-Y95 HydrophobicContact CG2-CE1 3.34Å; L57-Y95 HydrophobicContact CD1-CD1 3.75Å; L57-Y95 HydrophobicContact CD1-CD2 4.15Å; L57-Y95 HydrophobicContact CD1-CE1 4.46Å; L57-Y95 HydrophobicContact CD1-CG 3.57Å; L57-Y95 HydrophobicContact CD2-CD2 4.08Å; L57-Y95 HydrophobicContact CD2-CE2 4.28Å; L57-Y95 HydrophobicContact CD2-CG 4.34Å; Y91-Y95 VanDerWaalsContact O-CB 3.26Å; Y91-Y95 WeakPolarHBondContact O-CB 3.24Å; Y91-Y95 PolarHBondContact O-N 2.88Å; F92-Y95 PolarHBondContact O-N 3.32Å; E93-Y95 PolarHBondContact O-N 3.48Å; Y95-S97 VanDerWaalsContact C-N 3.35Å; Y95-S97 PolarHBondContact O-N 3.39Å; Y95-V99 HydrophobicContact CD2-CB 3.85Å; Y95-V99 HydrophobicContact CD2-CG1 4.03Å; Y95-V99 HydrophobicContact CD2-CG2 4.25Å; Y95-V99 HydrophobicContact CE2-CB 3.97Å; Y95-V99 HydrophobicContact CE2-CG1 3.68Å; Y95-V99 HydrophobicContact CG-CB 4.44Å; Y95-V99 WeakPolarHBondContact O-CA 3.44Å; Y95-V99 WeakPolarHBondContact O-CB 3.46Å; Y95-V99 PolarHBondContact O-N 3.46Å; Y95-Y100 HydrophobicContact CE1-CD2 4.21Å; Y95-Y100 PolarHBondContact O-N 2.83Å; Y95-Q103 PolarHBondContact OH-NE2 3.03Å; Y95-Q103 PolarHBondContact OH-OE1 3.05Å; Y95-P143 HydrophobicContact CD2-CG 4.42Å; Y95-P143 HydrophobicContact CE2-CG 3.48Å; Y95-P143 VanDerWaalsContact CE2-CG 3.48Å; Y95-P143 WeakPolarHBondContact OH-CD 3.28Å
96	L	87	Confident	86.6	Confident	37 Å²	37	74.2 Å²	74.2	19%	0.194	36%	0.356	C	S	.	.	I	π-helix	trans	-65.9	-35.7	178.8	-75.1	-175.8	0	0	0	112.7	E50 I53 F92 E93 Y100	E50-L96 HydrophobicContact CG-CD1 4.45Å; I53-L96 HydrophobicContact CD1-CD2 4.27Å; I53-L96 HydrophobicContact CG2-CD2 4.45Å; F92-L96 HydrophobicContact CD1-CD1 4.1Å; F92-L96 HydrophobicContact CD2-CD1 4.44Å; F92-L96 HydrophobicContact CD2-CG 4.37Å; F92-L96 HydrophobicContact CE1-CD1 3.46Å; F92-L96 VanDerWaalsContact CE1-CD1 3.46Å; F92-L96 HydrophobicContact CE1-CG 4.36Å; F92-L96 HydrophobicContact CE2-CD1 3.84Å; F92-L96 HydrophobicContact CE2-CD2 4.33Å; F92-L96 HydrophobicContact CE2-CG 3.99Å; F92-L96 HydrophobicContact CZ-CD1 3.33Å; F92-L96 HydrophobicContact CZ-CD2 4.49Å; F92-L96 HydrophobicContact CZ-CG 4.02Å; F92-L96 WeakPolarHBondContact O-CG 3.43Å; F92-L96 PolarHBondContact O-N 3.47Å; E93-L96 PolarHBondContact O-N 3.05Å; L96-Y100 HydrophobicContact CD2-CD1 4.14Å; L96-Y100 HydrophobicContact CD2-CG 4.04Å
97	S	83.8	Confident	85.9	Confident	64 Å²	64	69.2 Å²	69.2	45%	0.448	33%	0.332	S	S	.	.	I	π-helix	trans	-74.4	-46.4	-178.8	66.9	0	0	0	0	113	E93 H94 Y95	E93-S97 PolarHBondContact O-N 3.5Å; E93-S97 PolarHBondContact O-OG 2.99Å; H94-S97 PolarHBondContact O-N 3.34Å; H94-S97 PolarHBondContact O-OG 3.34Å; H94-S97 VanDerWaalsContact O-OG 3.11Å; Y95-S97 VanDerWaalsContact C-N 3.35Å; Y95-S97 PolarHBondContact O-N 3.39Å
98	E	80.1	Confident	85.3	Confident	131 Å²	131	75.7 Å²	75.7	61%	0.612	36%	0.355	S	S	*	.	I	π-helix	trans	-100.1	-39.9	-169.4	-64.3	-57.5	111	0	0	113.4	H94	H94-E98 PolarHBondContact O-N 2.95Å
99	V	81.9	Confident	85	Confident	51 Å²	51	79.3 Å²	79.3	31%	0.309	37%	0.372	S	S	.	.	I	π-helix	trans	-96.6	-45.6	-166.8	-176.2	0	0	0	0	111.3	Y95 R101 F102 Q103	Y95-V99 HydrophobicContact CD2-CB 3.85Å; Y95-V99 HydrophobicContact CD2-CG1 4.03Å; Y95-V99 HydrophobicContact CD2-CG2 4.25Å; Y95-V99 HydrophobicContact CE2-CB 3.97Å; Y95-V99 HydrophobicContact CE2-CG1 3.68Å; Y95-V99 HydrophobicContact CG-CB 4.44Å; Y95-V99 WeakPolarHBondContact O-CA 3.44Å; Y95-V99 WeakPolarHBondContact O-CB 3.46Å; Y95-V99 PolarHBondContact O-N 3.46Å; V99-R101 PolarHBondContact O-N 3Å; V99-F102 PolarHBondContact O-N 2.82Å; V99-Q103 HydrophobicContact CG1-CG 4.13Å; V99-Q103 WeakPolarHBondContact O-CG 3.25Å; V99-Q103 PolarHBondContact O-N 3.38Å
100	Y	83.2	Confident	84.5	Confident	27 Å²	27	76.9 Å²	76.9	11%	0.106	36%	0.359	C	S	.	.	H	α-helix	trans	-60.5	-43.2	-171	-175.8	-115.7	0	0	0	113.5	I53 Y95 L96 F102 Q103 L104 P140	I53-Y100 HydrophobicContact CD1-CD2 3.76Å; I53-Y100 HydrophobicContact CD1-CE2 3.32Å; Y95-Y100 HydrophobicContact CE1-CD2 4.21Å; Y95-Y100 PolarHBondContact O-N 2.83Å; L96-Y100 HydrophobicContact CD2-CD1 4.14Å; L96-Y100 HydrophobicContact CD2-CG 4.04Å; Y100-F102 PolarHBondContact O-N 3.34Å; Y100-Q103 PolarHBondContact O-N 2.58Å; Y100-L104 HydrophobicContact CD1-CD1 3.92Å; Y100-L104 HydrophobicContact CE1-CD1 3.48Å; Y100-L104 VanDerWaalsContact CE1-CD1 3.48Å; Y100-L104 HydrophobicContact CE1-CG 4.33Å; Y100-L104 HydrophobicContact CE2-CD1 4.41Å; Y100-L104 HydrophobicContact CE2-CG 4.43Å; Y100-L104 WeakPolarHBondContact O-CG 2.97Å; Y100-L104 PolarHBondContact O-N 2.89Å; Y100-P140 HydrophobicContact CD2-CB 4.43Å; Y100-P140 HydrophobicContact CE2-CB 3.45Å; Y100-P140 VanDerWaalsContact CE2-CB 3.45Å; Y100-P140 HydrophobicContact CE2-CG 4.26Å
101	R	80.3	Confident	84	Confident	187 Å²	187	72.3 Å²	72.3	71%	0.706	34%	0.338	S	S	*	.	H	α-helix	trans	-64.2	-41	179.3	-64.9	-173.8	72.2	161.1	2.3	112	V99 L104 V105	V99-R101 PolarHBondContact O-N 3Å; R101-L104 PolarHBondContact O-N 2.87Å; R101-V105 WeakPolarHBondContact O-CG2 3.4Å; R101-V105 PolarHBondContact O-N 2.94Å
102	F	82	Confident	83.7	Confident	148 Å²	148	74.2 Å²	74.2	65%	0.649	35%	0.349	S	S	*	.	H	α-helix	trans	-65.1	-44.5	178.1	-179	-95.4	0	0	0	111	V99 Y100 L104 V105 H106	V99-F102 PolarHBondContact O-N 2.82Å; Y100-F102 PolarHBondContact O-N 3.34Å; F102-L104 PolarHBondContact O-N 2.87Å; F102-V105 PolarHBondContact O-N 3.19Å; F102-H106 WeakPolarHBondContact O-CB 3.26Å; F102-H106 PolarHBondContact O-N 3.48Å
103	Q	81	Confident	83.4	Confident	28 Å²	28	77.3 Å²	77.3	13%	0.131	36%	0.363	C	S	.	.	H	α-helix	trans	-59.1	-43.9	177	-74.2	175.7	-21.1	0	0	112.6	Y95 V99 Y100 V105 H106 Q107 L141	Y95-Q103 PolarHBondContact OH-NE2 3.03Å; Y95-Q103 PolarHBondContact OH-OE1 3.05Å; V99-Q103 HydrophobicContact CG1-CG 4.13Å; V99-Q103 WeakPolarHBondContact O-CG 3.25Å; V99-Q103 PolarHBondContact O-N 3.38Å; Y100-Q103 PolarHBondContact O-N 2.58Å; Q103-V105 PolarHBondContact O-N 3.45Å; Q103-H106 PolarHBondContact O-N 3.11Å; Q103-Q107 WeakPolarHBondContact O-CB 3.47Å; Q103-Q107 PolarHBondContact O-N 2.89Å; Q103-L141 HydrophobicContact CB-CB 4.48Å; Q103-L141 PolarHBondContact NE2-O 2.83Å; Q103-L141 PolarHBondContact OE1-O 2.86Å
104	L	79	Confident	83	Confident	68 Å²	68	71 Å²	71	36%	0.356	33%	0.334	S	S	.	.	H	α-helix	trans	-60.8	-43.2	177.5	-77	170.4	0	0	0	112.5	Y100 R101 F102 R108	Y100-L104 HydrophobicContact CD1-CD1 3.92Å; Y100-L104 HydrophobicContact CE1-CD1 3.48Å; Y100-L104 VanDerWaalsContact CE1-CD1 3.48Å; Y100-L104 HydrophobicContact CE1-CG 4.33Å; Y100-L104 HydrophobicContact CE2-CD1 4.41Å; Y100-L104 HydrophobicContact CE2-CG 4.43Å; Y100-L104 WeakPolarHBondContact O-CG 2.97Å; Y100-L104 PolarHBondContact O-N 2.89Å; R101-L104 PolarHBondContact O-N 2.87Å; F102-L104 PolarHBondContact O-N 2.87Å; L104-R108 WeakPolarHBondContact O-CB 3.43Å; L104-R108 PolarHBondContact O-N 2.96Å; L104-R108 VanDerWaalsContact O-N 3.08Å
105	V	82.1	Confident	82.8	Confident	104 Å²	104	70.5 Å²	70.5	63%	0.63	33%	0.328	S	S	*	.	H	α-helix	trans	-67	-45.2	178.2	174.3	0	0	0	0	110.8	R101 F102 Q103 R108 Q109	R101-V105 WeakPolarHBondContact O-CG2 3.4Å; R101-V105 PolarHBondContact O-N 2.94Å; F102-V105 PolarHBondContact O-N 3.19Å; Q103-V105 PolarHBondContact O-N 3.45Å; V105-R108 PolarHBondContact O-N 2.79Å; V105-Q109 PolarHBondContact O-N 3.44Å
106	H	84.3	Confident	82.7	Confident	61 Å²	61	72.9 Å²	72.9	28%	0.282	35%	0.348	S	S	.	.	H	α-helix	trans	-60	-48	178.7	-174.9	-109.2	0	0	0	112	F102 Q103 R108 Q109 Q110 D272	F102-H106 WeakPolarHBondContact O-CB 3.26Å; F102-H106 PolarHBondContact O-N 3.48Å; Q103-H106 PolarHBondContact O-N 3.11Å; H106-R108 VanDerWaalsContact C-N 3.33Å; H106-R108 PolarHBondContact O-N 3.29Å; H106-Q109 WeakPolarHBondContact O-CB 3.49Å; H106-Q109 PolarHBondContact O-N 2.88Å; H106-Q109 VanDerWaalsContact O-N 3.12Å; H106-Q110 PolarHBondContact CE1-NE2 2.92Å; H106-Q110 PolarHBondContact O-N 2.95Å; H106-D272 IonicContact CE1-OD1 2.68Å; H106-D272 PolarHBondContact CE1-OD1 3.43Å; H106-D272 IonicContact ND1-OD1 3.89Å; H106-D272 PolarHBondContact ND1-OD1 2.93Å; H106-D272 VanDerWaalsContact ND1-OD1 3.11Å
107	Q	81.1	Confident	82.4	Confident	0 Å²	0	72.2 Å²	72.2	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-62.4	-40.6	179.1	-179	172.4	61.3	0	0	112.3	Q103 Q109 Q110 L111 P138 L139 W208	Q103-Q107 WeakPolarHBondContact O-CB 3.47Å; Q103-Q107 PolarHBondContact O-N 2.89Å; Q107-Q109 VanDerWaalsContact C-N 3.32Å; Q107-Q109 PolarHBondContact O-N 3.05Å; Q107-Q110 PolarHBondContact O-N 3.23Å; Q107-L111 PolarHBondContact O-N 2.94Å; Q107-L111 VanDerWaalsContact O-N 3.08Å; Q107-P138 VanDerWaalsContact CD-CB 3.42Å; Q107-P138 HydrophobicContact CG-CB 3.63Å; Q107-L139 PolarHBondContact NE2-O 2.87Å; Q107-L139 PolarHBondContact OE1-O 3.43Å; Q107-W208 HydrophobicContact CG-CH2 3.8Å; Q107-W208 HydrophobicContact CG-CZ2 3.8Å
108	R	82.1	Confident	82.1	Confident	164 Å²	164	72.5 Å²	72.5	62%	0.619	34%	0.339	S	S	*	.	H	α-helix	trans	-61.2	-42	173.8	-177.7	177.3	174.1	156.2	2.8	111.7	L104 V105 H106 Q110 L111 E112	L104-R108 WeakPolarHBondContact O-CB 3.43Å; L104-R108 PolarHBondContact O-N 2.96Å; L104-R108 VanDerWaalsContact O-N 3.08Å; V105-R108 PolarHBondContact O-N 2.79Å; H106-R108 VanDerWaalsContact C-N 3.33Å; H106-R108 PolarHBondContact O-N 3.29Å; R108-Q110 VanDerWaalsContact C-N 3.31Å; R108-Q110 PolarHBondContact O-N 3.43Å; R108-L111 PolarHBondContact O-N 3.26Å; R108-E112 IonicContact NE-OE1 3.6Å; R108-E112 PolarHBondContact NE-OE1 2.94Å; R108-E112 WeakPolarHBondContact O-CG 3.31Å; R108-E112 PolarHBondContact O-N 3.46Å
109	Q	85.9	Confident	82	Confident	103 Å²	103	69.9 Å²	69.9	48%	0.481	34%	0.335	S	S	.	.	H	α-helix	trans	-61.3	-40.1	177.4	-172.4	-178.2	17.5	0	0	111.7	V105 H106 Q107 E112 Q113	V105-Q109 PolarHBondContact O-N 3.44Å; H106-Q109 WeakPolarHBondContact O-CB 3.49Å; H106-Q109 PolarHBondContact O-N 2.88Å; H106-Q109 VanDerWaalsContact O-N 3.12Å; Q107-Q109 VanDerWaalsContact C-N 3.32Å; Q107-Q109 PolarHBondContact O-N 3.05Å; Q109-E112 PolarHBondContact O-N 2.91Å; Q109-Q113 WeakPolarHBondContact O-CG 3.25Å; Q109-Q113 PolarHBondContact O-N 3.47Å
110	Q	83.4	Confident	81.9	Confident	7 Å²	7	70.7 Å²	70.7	3%	0.033	35%	0.347	C	S	.	.	H	α-helix	trans	-67	-40.6	177.2	-69.6	174.1	-33.1	0	0	112.5	H106 Q107 R108 E112 Q113 L114 P270 I271 D272	H106-Q110 PolarHBondContact CE1-NE2 2.92Å; H106-Q110 PolarHBondContact O-N 2.95Å; Q107-Q110 PolarHBondContact O-N 3.23Å; R108-Q110 VanDerWaalsContact C-N 3.31Å; R108-Q110 PolarHBondContact O-N 3.43Å; Q110-E112 VanDerWaalsContact C-N 3.31Å; Q110-E112 PolarHBondContact O-N 3.5Å; Q110-Q113 WeakPolarHBondContact O-CB 3.28Å; Q110-Q113 PolarHBondContact O-N 2.92Å; Q110-L114 VanDerWaalsContact O-CD1 3.28Å; Q110-L114 WeakPolarHBondContact O-CD1 3.42Å; Q110-L114 WeakPolarHBondContact O-CG 3.41Å; Q110-L114 PolarHBondContact O-N 2.89Å; Q110-P270 HydrophobicContact CB-CB 3.92Å; Q110-P270 HydrophobicContact CG-CB 3.96Å; Q110-I271 PolarHBondContact NE2-O 2.93Å; Q110-D272 PolarHBondContact NE2-OD1 3.43Å; Q110-D272 VanDerWaalsContact OE1-CG 3.25Å; Q110-D272 PolarHBondContact OE1-OD1 3.31Å; Q110-D272 PolarHBondContact OE1-OD2 3.12Å
111	L	80.3	Confident	81.3	Confident	14 Å²	14	75 Å²	75	7%	0.073	38%	0.376	C	S	.	.	H	α-helix	trans	-60.3	-39.6	171.6	-75.5	175.2	0	0	0	113.1	Q107 R108 L114 R115 P138 W208	Q107-L111 PolarHBondContact O-N 2.94Å; Q107-L111 VanDerWaalsContact O-N 3.08Å; R108-L111 PolarHBondContact O-N 3.26Å; L111-L114 HydrophobicContact CD2-CD1 4.04Å; L111-L114 PolarHBondContact O-N 2.84Å; L111-R115 PolarHBondContact O-N 3.07Å; L111-P138 HydrophobicContact CD1-CB 3.5Å; L111-P138 VanDerWaalsContact CD1-CB 3.5Å; L111-P138 VanDerWaalsContact CD1-CD 3.44Å; L111-P138 HydrophobicContact CD1-CG 3.41Å; L111-P138 VanDerWaalsContact CD1-CG 3.41Å; L111-W208 HydrophobicContact CD2-CE3 4.09Å; L111-W208 HydrophobicContact CD2-CZ3 4.05Å; L111-W208 HydrophobicContact CG-CZ3 4.46Å
112	E	84.6	Confident	80.5	Confident	91 Å²	91	70.7 Å²	70.7	43%	0.425	36%	0.362	S	S	.	.	H	α-helix	trans	-65.2	-40.1	173.9	-72.4	172.9	-172.4	0	0	111.6	R108 Q109 Q110 R115 A116	R108-E112 IonicContact NE-OE1 3.6Å; R108-E112 PolarHBondContact NE-OE1 2.94Å; R108-E112 WeakPolarHBondContact O-CG 3.31Å; R108-E112 PolarHBondContact O-N 3.46Å; Q109-E112 PolarHBondContact O-N 2.91Å; Q110-E112 VanDerWaalsContact C-N 3.31Å; Q110-E112 PolarHBondContact O-N 3.5Å; E112-R115 PolarHBondContact O-N 3.3Å; E112-A116 PolarHBondContact O-N 3.25Å
113	Q	84.8	Confident	79.5	Confident	90 Å²	90	68.8 Å²	68.8	42%	0.421	36%	0.359	S	S	.	.	H	α-helix	trans	-63	-44	173.1	-70.8	174.9	17.7	0	0	112	Q109 Q110 R115 A116 V117 P270	Q109-Q113 WeakPolarHBondContact O-CG 3.25Å; Q109-Q113 PolarHBondContact O-N 3.47Å; Q110-Q113 WeakPolarHBondContact O-CB 3.28Å; Q110-Q113 PolarHBondContact O-N 2.92Å; Q113-R115 VanDerWaalsContact C-N 3.33Å; Q113-R115 PolarHBondContact O-N 2.75Å; Q113-A116 WeakPolarHBondContact O-CB 3.48Å; Q113-A116 PolarHBondContact O-N 3.35Å; Q113-A116 VanDerWaalsContact O-N 3.14Å; Q113-V117 WeakPolarHBondContact O-CG2 3.44Å; Q113-V117 PolarHBondContact O-N 3.5Å; Q113-P270 HydrophobicContact CB-CG 3.62Å
114	L	82.5	Confident	78.5	Confident	7 Å²	7	73.4 Å²	73.4	4%	0.037	39%	0.391	C	S	.	.	H	α-helix	trans	-58.9	-44.2	175.5	-76.5	146.2	0	0	0	112	Q110 L111 A116 V117 K118 W208 L269 P270	Q110-L114 VanDerWaalsContact O-CD1 3.28Å; Q110-L114 WeakPolarHBondContact O-CD1 3.42Å; Q110-L114 WeakPolarHBondContact O-CG 3.41Å; Q110-L114 PolarHBondContact O-N 2.89Å; L111-L114 HydrophobicContact CD2-CD1 4.04Å; L111-L114 PolarHBondContact O-N 2.84Å; L114-A116 VanDerWaalsContact C-N 3.29Å; L114-A116 PolarHBondContact O-N 3.11Å; L114-V117 PolarHBondContact O-N 2.9Å; L114-K118 WeakPolarHBondContact O-CB 3.36Å; L114-K118 PolarHBondContact O-N 2.86Å; L114-W208 HydrophobicContact CD1-CB 3.19Å; L114-W208 HydrophobicContact CD1-CD2 4.06Å; L114-W208 HydrophobicContact CD1-CE3 4.13Å; L114-W208 HydrophobicContact CD1-CG 3.72Å; L114-W208 HydrophobicContact CD2-CB 3.77Å; L114-W208 VanDerWaalsContact CD2-O 3.28Å; L114-W208 WeakPolarHBondContact CD2-O 2.96Å; L114-W208 HydrophobicContact CG-CB 3.95Å; L114-L269 HydrophobicContact CD2-CD2 4.11Å; L114-P270 HydrophobicContact CD1-CG 4.47Å; L114-P270 HydrophobicContact CD2-CG 4.48Å; L114-P270 HydrophobicContact CG-CG 3.92Å
115	R	82.6	Confident	77.5	Confident	95 Å²	95	77.9 Å²	77.9	36%	0.358	41%	0.41	S	S	.	.	H	α-helix	trans	-60.6	-41.4	176.3	-171.6	-179.3	-65.9	127.2	-1.3	111.1	L111 E112 Q113 K118 S119 D132 F135	L111-R115 PolarHBondContact O-N 3.07Å; E112-R115 PolarHBondContact O-N 3.3Å; Q113-R115 VanDerWaalsContact C-N 3.33Å; Q113-R115 PolarHBondContact O-N 2.75Å; R115-K118 PolarHBondContact O-N 2.91Å; R115-S119 WeakPolarHBondContact O-CB 3.49Å; R115-S119 PolarHBondContact O-N 2.83Å; R115-D132 IonicContact NE-OD1 3.71Å; R115-F135 HydrophobicContact CB-CE1 3.78Å; R115-F135 HydrophobicContact CB-CZ 3.77Å; R115-F135 HydrophobicContact CG-CE1 4.16Å; R115-F135 HydrophobicContact CG-CE2 4.1Å; R115-F135 HydrophobicContact CG-CZ 3.66Å
116	A	84.4	Confident	76.3	Confident	53 Å²	53	77.5 Å²	77.5	44%	0.438	40%	0.404	S	S	.	.	H	α-helix	trans	-66.9	-39.8	176.6	0	0	0	0	0	112.8	E112 Q113 L114 S119 A120	E112-A116 PolarHBondContact O-N 3.25Å; Q113-A116 WeakPolarHBondContact O-CB 3.48Å; Q113-A116 PolarHBondContact O-N 3.35Å; Q113-A116 VanDerWaalsContact O-N 3.14Å; L114-A116 VanDerWaalsContact C-N 3.29Å; L114-A116 PolarHBondContact O-N 3.11Å; A116-S119 PolarHBondContact O-N 2.86Å; A116-S119 PolarHBondContact O-OG 3.27Å; A116-S119 VanDerWaalsContact O-OG 3.13Å; A116-A120 WeakPolarHBondContact O-CB 3.38Å; A116-A120 PolarHBondContact O-N 3.42Å
117	V	80.6	Confident	75	Confident	24 Å²	24	83.6 Å²	83.6	15%	0.145	43%	0.433	C	S	.	.	H	α-helix	trans	-63.5	-45.4	174.3	175.6	0	0	0	0	110.3	Q113 L114 S119 A120 V121 Q267 L269	Q113-V117 WeakPolarHBondContact O-CG2 3.44Å; Q113-V117 PolarHBondContact O-N 3.5Å; L114-V117 PolarHBondContact O-N 2.9Å; V117-S119 PolarHBondContact O-N 2.83Å; V117-A120 PolarHBondContact O-N 3.1Å; V117-V121 WeakPolarHBondContact O-CG2 3.4Å; V117-V121 PolarHBondContact O-N 3.26Å; V117-Q267 HydrophobicContact CG1-CB 4.25Å; V117-Q267 HydrophobicContact CG1-CG 4.27Å; V117-Q267 HydrophobicContact CG2-CG 4Å; V117-L269 HydrophobicContact CG1-CD2 4.42Å
118	K	77.6	Confident	73.7	Confident	69 Å²	69	90.5 Å²	90.5	30%	0.3	47%	0.47	S	S	.	.	H	α-helix	trans	-65.2	-37.2	178.8	-167.1	168.4	-169.4	165.3	0	112.4	L114 R115 K122 L210 E211	L114-K118 WeakPolarHBondContact O-CB 3.36Å; L114-K118 PolarHBondContact O-N 2.86Å; R115-K118 PolarHBondContact O-N 2.91Å; K118-K122 WeakPolarHBondContact O-CG 3.48Å; K118-K122 PolarHBondContact O-N 2.9Å; K118-L210 HydrophobicContact CD-CD1 4.21Å; K118-E211 WeakPolarHBondContact CE-OE1 3.36Å; K118-E211 IonicContact NZ-OE1 3Å; K118-E211 PolarHBondContact NZ-OE1 3.26Å
119	S	79.3	Confident	72.2	Confident	77 Å²	77	84.9 Å²	84.9	54%	0.538	46%	0.458	S	S	.	.	H	α-helix	trans	-72.5	-31.8	178	75.6	0	0	0	0	113	R115 A116 V117 V121 K122	R115-S119 WeakPolarHBondContact O-CB 3.49Å; R115-S119 PolarHBondContact O-N 2.83Å; A116-S119 PolarHBondContact O-N 2.86Å; A116-S119 PolarHBondContact O-OG 3.27Å; A116-S119 VanDerWaalsContact O-OG 3.13Å; V117-S119 PolarHBondContact O-N 2.83Å; S119-V121 VanDerWaalsContact C-N 3.28Å; S119-V121 PolarHBondContact O-N 2.77Å; S119-K122 PolarHBondContact O-N 2.81Å
120	A	78.5	Confident	70.5	Confident	67 Å²	67	87.8 Å²	87.8	55%	0.554	47%	0.472	S	S	*	.	H	α-helix	trans	-68.5	-25.7	177.3	0	0	0	0	0	113.5	A116 V117	A116-A120 WeakPolarHBondContact O-CB 3.38Å; A116-A120 PolarHBondContact O-N 3.42Å; V117-A120 PolarHBondContact O-N 3.1Å
121	V	70.9	Confident	69.1	Low	117 Å²	117	90.9 Å²	90.9	71%	0.709	49%	0.494	S	S	*	.	H	α-helix	trans	-88.6	-20.1	178.9	-179.8	0	0	0	0	112.2	V117 S119	V117-V121 WeakPolarHBondContact O-CG2 3.4Å; V117-V121 PolarHBondContact O-N 3.26Å; S119-V121 VanDerWaalsContact C-N 3.28Å; S119-V121 PolarHBondContact O-N 2.77Å
122	K	64.6	Low	67.8	Low	98 Å²	98	95.9 Å²	95.9	43%	0.426	52%	0.521	S	S	.	.	S	Bend	trans	-72.2	130	178.4	-78.6	-177.4	177.8	-170.8	0	111	K118 S119 A129	K118-K122 WeakPolarHBondContact O-CG 3.48Å; K118-K122 PolarHBondContact O-N 2.9Å; S119-K122 PolarHBondContact O-N 2.81Å; K122-A129 HydrophobicContact CD-CB 4.47Å
123	D	59.4	Low	66.3	Low	108 Å²	108	100.1 Å²	100.1	58%	0.578	54%	0.538	S	S	*	.			trans	-62.2	126.4	172.6	-168.6	-31.3	0	0	0	109.2	H125 D126	D123-H125 PolarHBondContact O-N 3.06Å; D123-H125 PolarHBondContact OD1-N 2.8Å; D123-D126 PolarHBondContact O-N 2.92Å; D123-D126 VanDerWaalsContact O-N 3.11Å
124	P	60.5	Low	65	Low	124 Å²	124	102 Å²	102	81%	0.805	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.7	-7.3	-179.6	21.9	-33.1	0	0	0	114.8
125	H	57.4	Low	64	Low	163 Å²	163	103.8 Å²	103.8	76%	0.755	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.2	1.2	175.9	-79.3	-65.4	0	0	0	115.9	D123 E127	D123-H125 PolarHBondContact O-N 3.06Å; D123-H125 PolarHBondContact OD1-N 2.8Å; H125-E127 PolarHBondContact O-N 3.12Å; H125-E127 VanDerWaalsContact O-N 3.14Å
126	D	58.5	Low	63	Low	96 Å²	96	101.8 Å²	101.8	51%	0.513	56%	0.558	S	S	.	*			trans	-85.3	82.4	175.8	-164.2	5.2	0	0	0	111.9	D123 N128 A129	D123-D126 PolarHBondContact O-N 2.92Å; D123-D126 VanDerWaalsContact O-N 3.11Å; D126-N128 PolarHBondContact O-N 2.63Å; D126-N128 VanDerWaalsContact O-N 3.15Å; D126-N128 PolarHBondContact OD1-N 2.97Å; D126-A129 PolarHBondContact O-N 2.86Å
127	E	55.3	Low	62	Low	188 Å²	188	106.5 Å²	106.5	88%	0.879	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.2	-2.2	177.4	-65.1	-170.7	167.1	0	0	113.9	H125	H125-E127 PolarHBondContact O-N 3.12Å; H125-E127 VanDerWaalsContact O-N 3.14Å
128	N	54.2	Low	61.1	Low	145 Å²	145	107.1 Å²	107.1	78%	0.775	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103	12.1	178.9	-90.9	-22.5	0	0	0	114	D126 E130	D126-N128 PolarHBondContact O-N 2.63Å; D126-N128 VanDerWaalsContact O-N 3.15Å; D126-N128 PolarHBondContact OD1-N 2.97Å; N128-E130 PolarHBondContact O-N 3.28Å
129	A	50.1	Low	60.7	Low	46 Å²	46	107.4 Å²	107.4	38%	0.38	58%	0.58	S	S	.	*			trans	-63	98.2	176.6	0	0	0	0	0	110.9	K122 D126 S131	K122-A129 HydrophobicContact CD-CB 4.47Å; D126-A129 PolarHBondContact O-N 2.86Å; A129-S131 PolarHBondContact O-N 3.2Å
130	E	51.1	Low	60.2	Low	165 Å²	165	104.3 Å²	104.3	77%	0.771	56%	0.558	S	S	*	*			trans	-48.8	131.6	174.1	-82.7	-179.3	146.9	0	0	110.4	N128	N128-E130 PolarHBondContact O-N 3.28Å
131	S	53.9	Low	60.2	Low	72 Å²	72	101.9 Å²	101.9	50%	0.503	54%	0.536	S	S	.	.			trans	-46.3	159.3	-171.5	56	0	0	0	0	115	A129 K133	A129-S131 PolarHBondContact O-N 3.2Å; S131-K133 PolarHBondContact O-N 2.83Å
132	D	53.6	Low	60.6	Low	118 Å²	118	96.6 Å²	96.6	63%	0.631	50%	0.503	S	S	*	.	G	3₁₀ helix	trans	-39.8	0.7	171.1	-78.6	-45.4	0	0	0	118.5	R115 D134	R115-D132 IonicContact NE-OD1 3.71Å; D132-D134 PolarHBondContact O-N 2.88Å
133	K	53.3	Low	61.6	Low	180 Å²	180	93.5 Å²	93.5	78%	0.783	49%	0.493	S	S	*	.	G	3₁₀ helix	trans	-74.8	-15.8	-176.9	-64.7	-172.9	178.7	-176.3	0	115.2	S131	S131-K133 PolarHBondContact O-N 2.83Å
134	D	56.9	Low	63	Low	130 Å²	130	88.8 Å²	88.8	70%	0.695	47%	0.469	S	S	*	.	G	3₁₀ helix	trans	-91.3	2.7	-177.9	-81.1	-13.2	0	0	0	114.4	D132 P136	D132-D134 PolarHBondContact O-N 2.88Å; D134-P136 VanDerWaalsContact O-CD 3.22Å; D134-P136 WeakPolarHBondContact O-CD 3.4Å
135	F	60.2	Low	64.4	Low	44 Å²	44	83.2 Å²	83.2	19%	0.193	43%	0.433	C	S	.	.	S	Bend	trans	-79.4	113.2	172.3	-75.8	-97.9	0	0	0	109	R115 E137 L210	R115-F135 HydrophobicContact CB-CE1 3.78Å; R115-F135 HydrophobicContact CB-CZ 3.77Å; R115-F135 HydrophobicContact CG-CE1 4.16Å; R115-F135 HydrophobicContact CG-CE2 4.1Å; R115-F135 HydrophobicContact CG-CZ 3.66Å; F135-E137 PolarHBondContact O-N 2.77Å; F135-L210 HydrophobicContact CD1-CD1 3.7Å; F135-L210 HydrophobicContact CD1-CD2 4.43Å; F135-L210 HydrophobicContact CE1-CD1 3.24Å; F135-L210 HydrophobicContact CZ-CD1 3.82Å
136	P	61.8	Low	66	Low	53 Å²	53	77.8 Å²	77.8	34%	0.344	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-59.9	137.2	177.2	24.5	-31.8	0	0	0	109.3	D134 V296	D134-P136 VanDerWaalsContact O-CD 3.22Å; D134-P136 WeakPolarHBondContact O-CD 3.4Å; P136-V296 HydrophobicContact CG-CG2 4.16Å
137	E	64.2	Low	67.5	Low	153 Å²	153	76.9 Å²	76.9	72%	0.715	40%	0.401	S	S	*	.	P	Polyproline II helix	trans	-61.8	128.7	174.6	-167.9	170.2	-170.8	0	0	108.6	F135 L139	F135-E137 PolarHBondContact O-N 2.77Å; E137-L139 PolarHBondContact O-N 3.06Å
138	P	61.7	Low	69.3	Low	37 Å²	37	70.3 Å²	70.3	24%	0.24	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-59.6	129.3	-178.9	19.4	-28.8	0	0	0	110.7	Q107 L111	Q107-P138 VanDerWaalsContact CD-CB 3.42Å; Q107-P138 HydrophobicContact CG-CB 3.63Å; L111-P138 HydrophobicContact CD1-CB 3.5Å; L111-P138 VanDerWaalsContact CD1-CB 3.5Å; L111-P138 VanDerWaalsContact CD1-CD 3.44Å; L111-P138 HydrophobicContact CD1-CG 3.41Å; L111-P138 VanDerWaalsContact CD1-CG 3.41Å
139	L	68.5	Low	71.1	Confident	75 Å²	75	66.1 Å²	66.1	39%	0.393	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-82.8	142.3	166.1	-67	179.1	0	0	0	108.4	Q107 E137 L141 Y293 P294	Q107-L139 PolarHBondContact NE2-O 2.87Å; Q107-L139 PolarHBondContact OE1-O 3.43Å; E137-L139 PolarHBondContact O-N 3.06Å; L139-L141 PolarHBondContact O-N 2.88Å; L139-Y293 WeakPolarHBondContact CD1-O 2.94Å; L139-P294 PolarHBondContact N-O 3.42Å
140	P	69.4	Low	73.2	Confident	11 Å²	11	72.2 Å²	72.2	7%	0.071	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-52.9	137.2	-177.8	22.2	-33.1	0	0	0	112.2	K49 Y100 I142	K49-P140 HydrophobicContact CG-CG 4.5Å; Y100-P140 HydrophobicContact CD2-CB 4.43Å; Y100-P140 HydrophobicContact CE2-CB 3.45Å; Y100-P140 VanDerWaalsContact CE2-CB 3.45Å; Y100-P140 HydrophobicContact CE2-CG 4.26Å; P140-I142 VanDerWaalsContact C-N 3.27Å; P140-I142 HydrophobicContact CG-CG1 4.42Å; P140-I142 WeakPolarHBondContact O-CG1 3.38Å; P140-I142 PolarHBondContact O-N 3.29Å
141	L	78.6	Confident	75.3	Confident	17 Å²	17	67.3 Å²	67.3	9%	0.089	34%	0.343	C	S	.	.			trans	-75	78	179.1	-168.9	70.3	0	0	0	110.6	Q103 L139 D272 L274 P294	Q103-L141 HydrophobicContact CB-CB 4.48Å; Q103-L141 PolarHBondContact NE2-O 2.83Å; Q103-L141 PolarHBondContact OE1-O 2.86Å; L139-L141 PolarHBondContact O-N 2.88Å; L141-D272 HydrophobicContact CD2-CB 4.29Å; L141-L274 HydrophobicContact CD1-CD2 3.71Å; L141-L274 HydrophobicContact CD2-CD2 4.34Å; L141-L274 HydrophobicContact CG-CD2 4.27Å; L141-P294 HydrophobicContact CD1-CB 3.49Å; L141-P294 VanDerWaalsContact CD1-CB 3.49Å; L141-P294 HydrophobicContact CD1-CG 3.76Å
142	I	78.8	Confident	77.4	Confident	6 Å²	6	65.1 Å²	65.1	3%	0.031	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-70.2	134.5	-179.3	-51.2	-174.1	0	0	0	109.7	E52 I53 A56 P140 H291	E52-I142 HydrophobicContact CB-CD1 4.49Å; I53-I142 HydrophobicContact CG1-CD1 3.72Å; I53-I142 HydrophobicContact CG1-CG1 3.98Å; A56-I142 HydrophobicContact CB-CG2 3.58Å; P140-I142 VanDerWaalsContact C-N 3.27Å; P140-I142 HydrophobicContact CG-CG1 4.42Å; P140-I142 WeakPolarHBondContact O-CG1 3.38Å; P140-I142 PolarHBondContact O-N 3.29Å; I142-H291 PolarHBondContact O-CD2 3.15Å; I142-H291 PolarHBondContact O-NE2 2.94Å
143	P	85.4	Confident	79.4	Confident	33 Å²	33	63.2 Å²	63.2	21%	0.214	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-48.7	143	174.4	-29.8	31.6	0	0	0	113.2	L57 Y95	L57-P143 HydrophobicContact CD2-CG 4.35Å; Y95-P143 HydrophobicContact CD2-CG 4.42Å; Y95-P143 HydrophobicContact CE2-CG 3.48Å; Y95-P143 VanDerWaalsContact CE2-CG 3.48Å; Y95-P143 WeakPolarHBondContact OH-CD 3.28Å
144	A	90.6	Very high	81.5	Confident	9 Å²	9	59.3 Å²	59.3	7%	0.074	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-65.6	136	172.3	0	0	0	0	0	111.2	W191 I275 H291	A144-W191 HydrophobicContact CB-CH2 3.96Å; A144-I275 HydrophobicContact CB-CD1 3.76Å; A144-I275 HydrophobicContact CB-CG1 3.83Å; A144-H291 HydrophobicContact CB-CB 4.21Å
145	T	88.8	Confident	83.5	Confident	6 Å²	6	53.2 Å²	53.2	4%	0.037	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	129	173.1	-57.4	0	0	0	0	108.9	Q59 Q60 W147 G289 T290	Q59-T145 HydrophobicContact CB-CG2 4.09Å; Q59-T145 HydrophobicContact CG-CG2 3.61Å; Q60-T145 HydrophobicContact CB-CG2 4.29Å; T145-W147 HydrophobicContact CG2-CE3 3.77Å; T145-W147 HydrophobicContact CG2-CZ3 3.71Å; T145-G289 CarbonylContact O-C 3.55Å; T145-G289 WeakPolarHBondContact O-CA 3.38Å; T145-T290 PolarHBondContact N-O 2.96Å; T145-T290 PolarHBondContact O-N 3.11Å
146	V	90.7	Very high	85.3	Confident	50 Å²	50	52.5 Å²	52.5	30%	0.303	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	137.6	-179	-177.5	0	0	0	0	109.9	W191 I275 C288	V146-W191 HydrophobicContact CG2-CZ2 4.21Å; V146-I275 HydrophobicContact CG2-CD1 3.78Å; V146-C288 WeakPolarHBondContact CA-O 3.48Å; V146-C288 WeakPolarHBondContact CG1-O 3.22Å
147	W	90.1	Very high	87	Confident	77 Å²	77	57 Å²	57	29%	0.292	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	175.1	175.8	63	96.4	0	0	0	110.8	T145 C288 G289 T290	T145-W147 HydrophobicContact CG2-CE3 3.77Å; T145-W147 HydrophobicContact CG2-CZ3 3.71Å; W147-C288 HydrophobicContact CD2-CB 3.94Å; W147-C288 HydrophobicContact CG-CB 4.13Å; W147-C288 HydrophobicContact CZ2-CB 3.8Å; W147-C288 PolarHBondContact N-O 3.01Å; W147-C288 VanDerWaalsContact NE1-CB 3.27Å; W147-C288 PolarHBondContact O-N 3.46Å; W147-C288 VanDerWaalsContact O-O 3.09Å; W147-G289 VanDerWaalsContact CZ3-CA 3.5Å; W147-T290 HydrophobicContact CH2-CG2 4.02Å; W147-T290 HydrophobicContact CZ3-CG2 3.94Å
148	T	92.9	Very high	88.6	Confident	49 Å²	49	53.4 Å²	53.4	30%	0.301	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	157.9	176.5	65.1	0	0	0	0	112.8	E285 V286 Y287	T148-E285 VanDerWaalsContact CB-OE2 3.24Å; T148-E285 WeakPolarHBondContact CB-OE2 3.48Å; T148-E285 HydrophobicContact CG2-CB 4.49Å; T148-E285 PolarHBondContact OG1-OE2 3.5Å; T148-V286 CarbonylContact C-O 3.54Å; T148-V286 WeakPolarHBondContact CA-O 3.48Å; T148-Y287 HydrophobicContact CG2-CD1 4.13Å; T148-Y287 HydrophobicContact CG2-CD2 4.04Å; T148-Y287 HydrophobicContact CG2-CE1 4.01Å; T148-Y287 HydrophobicContact CG2-CE2 3.93Å; T148-Y287 HydrophobicContact CG2-CG 4.16Å
149	R	93.3	Very high	90.3	Very high	58 Å²	58	51.7 Å²	51.7	22%	0.219	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	140.7	173.7	-58.4	-173.3	-65.9	110.5	-5.7	111.4	N151 E192 V286 C288	R149-N151 WeakPolarHBondContact CB-OD1 3.08Å; R149-N151 PolarHBondContact NH1-ND2 3.45Å; R149-N151 PolarHBondContact NH1-OD1 2.97Å; R149-E192 IonicContact CZ-OE1 3.35Å; R149-E192 VanDerWaalsContact CZ-OE1 3.29Å; R149-E192 IonicContact NE-OE1 2.96Å; R149-E192 PolarHBondContact NE-OE1 3.48Å; R149-E192 IonicContact NH2-OE1 2.63Å; R149-E192 PolarHBondContact NH2-OE1 3.08Å; R149-V286 HydrophobicContact CB-CB 4.33Å; R149-V286 PolarHBondContact N-O 3.39Å; R149-V286 PolarHBondContact O-N 3.42Å; R149-C288 PolarHBondContact NE-SG 3.47Å; R149-C288 VanDerWaalsContact NE-SG 3.38Å
150	K	94.1	Very high	91.6	Very high	174 Å²	174	51.8 Å²	51.8	76%	0.757	26%	0.258	S	S	*	.	S	Bend	trans	-80.5	-15.3	-174.1	-67.5	-177.5	179.2	-176.6	0	115.3	I152 E285	K150-I152 PolarHBondContact O-N 3.04Å; K150-E285 VanDerWaalsContact CE-OE1 3.27Å; K150-E285 WeakPolarHBondContact CE-OE1 3.3Å; K150-E285 HydrophobicContact CG-CG 4.46Å; K150-E285 VanDerWaalsContact CG-OE1 3.27Å; K150-E285 WeakPolarHBondContact CG-OE1 3.22Å
151	N	94.6	Very high	92.9	Very high	61 Å²	61	57.1 Å²	57.1	33%	0.326	29%	0.285	S	S	.	.			trans	-82.6	51.1	-175.9	59.9	-37.3	0	0	0	113.1	R149 A153 E154 F155	R149-N151 WeakPolarHBondContact CB-OD1 3.08Å; R149-N151 PolarHBondContact NH1-ND2 3.45Å; R149-N151 PolarHBondContact NH1-OD1 2.97Å; N151-A153 PolarHBondContact O-N 3.48Å; N151-E154 HydrophobicContact CB-CB 4.3Å; N151-E154 PolarHBondContact ND2-OE2 2.74Å; N151-E154 PolarHBondContact O-N 3.02Å; N151-F155 PolarHBondContact O-N 3.46Å; N151-F155 VanDerWaalsContact O-N 3.12Å
152	I	97.2	Very high	93.7	Very high	27 Å²	27	61.4 Å²	61.4	14%	0.138	31%	0.312	C	S	.	.	H	α-helix	trans	-60.2	-39.9	-177.4	-170.8	173.3	0	0	0	113.6	K150 E154 F155 K156 A194 H283 V286	K150-I152 PolarHBondContact O-N 3.04Å; I152-E154 PolarHBondContact O-N 3.36Å; I152-F155 PolarHBondContact O-N 3.2Å; I152-K156 HydrophobicContact CG1-CD 4.28Å; I152-K156 HydrophobicContact CG1-CG 4.49Å; I152-K156 WeakPolarHBondContact O-CG 3.18Å; I152-K156 PolarHBondContact O-N 3.4Å; I152-A194 HydrophobicContact CD1-CB 4.04Å; I152-A194 HydrophobicContact CG1-CB 3.92Å; I152-H283 VanDerWaalsContact CD1-C 3.49Å; I152-H283 VanDerWaalsContact CD1-O 3.24Å; I152-H283 WeakPolarHBondContact CD1-O 3.48Å; I152-V286 HydrophobicContact CB-CG2 4.1Å; I152-V286 HydrophobicContact CG1-CG2 4.32Å
153	A	97.4	Very high	94.3	Very high	77 Å²	77	64 Å²	64	64%	0.636	32%	0.324	S	S	*	.	H	α-helix	trans	-67	-37.8	-179.4	0	0	0	0	0	112.5	N151 R157	N151-A153 PolarHBondContact O-N 3.48Å; A153-R157 WeakPolarHBondContact O-CB 3.43Å; A153-R157 PolarHBondContact O-N 3.46Å
154	E	97.4	Very high	94.8	Very high	99 Å²	99	69.6 Å²	69.6	46%	0.463	35%	0.345	S	S	.	.	H	α-helix	trans	-67.8	-46.6	176.5	-179.9	178	-147	0	0	111	N151 I152 K156 R157 E158	N151-E154 HydrophobicContact CB-CB 4.3Å; N151-E154 PolarHBondContact ND2-OE2 2.74Å; N151-E154 PolarHBondContact O-N 3.02Å; I152-E154 PolarHBondContact O-N 3.36Å; E154-K156 PolarHBondContact O-N 3Å; E154-R157 PolarHBondContact O-N 3.24Å; E154-E158 PolarHBondContact O-N 2.9Å
155	F	97.7	Very high	94.9	Very high	1 Å²	1	75.8 Å²	75.8	0%	0.004	37%	0.372	C	S	.	.	H	α-helix	trans	-56.6	-50.7	176.7	171.4	-107.3	0	0	0	111.9	N151 I152 R157 E158 I159 E192 A194 V286 R318	N151-F155 PolarHBondContact O-N 3.46Å; N151-F155 VanDerWaalsContact O-N 3.12Å; I152-F155 PolarHBondContact O-N 3.2Å; F155-R157 VanDerWaalsContact C-N 3.31Å; F155-R157 PolarHBondContact O-N 3.48Å; F155-E158 WeakPolarHBondContact O-CB 3.17Å; F155-E158 PolarHBondContact O-N 2.92Å; F155-I159 HydrophobicContact CD2-CG1 4.26Å; F155-I159 HydrophobicContact CE1-CG1 4.24Å; F155-I159 HydrophobicContact CE2-CD1 3.89Å; F155-I159 HydrophobicContact CE2-CG1 3.85Å; F155-I159 HydrophobicContact CZ-CD1 4.14Å; F155-I159 HydrophobicContact CZ-CG1 3.84Å; F155-I159 WeakPolarHBondContact O-CG1 3.5Å; F155-I159 PolarHBondContact O-N 3.46Å; F155-E192 HydrophobicContact CE2-CB 3.77Å; F155-E192 HydrophobicContact CZ-CB 4.01Å; F155-A194 HydrophobicContact CD1-CB 3.77Å; F155-A194 HydrophobicContact CE1-CB 3.75Å; F155-V286 HydrophobicContact CB-CG2 3.69Å; F155-V286 HydrophobicContact CD1-CG1 3.91Å; F155-V286 HydrophobicContact CD1-CG2 3.86Å; F155-V286 HydrophobicContact CD2-CG1 4.24Å; F155-V286 HydrophobicContact CE1-CG1 4.07Å; F155-V286 HydrophobicContact CE2-CG1 4.38Å; F155-V286 HydrophobicContact CG-CG1 4Å; F155-V286 HydrophobicContact CG-CG2 3.86Å; F155-V286 HydrophobicContact CZ-CG1 4.29Å; F155-R318 HydrophobicContact CE2-CB 4.45Å
156	K	97.9	Very high	95.3	Very high	30 Å²	30	76.4 Å²	76.4	13%	0.13	38%	0.377	C	S	.	.	H	α-helix	trans	-58.9	-42.2	178.7	-71.1	176.8	179.1	178.8	0	112.4	I152 E154 I159 L160 T195 D196 Y316	I152-K156 HydrophobicContact CG1-CD 4.28Å; I152-K156 HydrophobicContact CG1-CG 4.49Å; I152-K156 WeakPolarHBondContact O-CG 3.18Å; I152-K156 PolarHBondContact O-N 3.4Å; E154-K156 PolarHBondContact O-N 3Å; K156-I159 PolarHBondContact O-N 3.23Å; K156-L160 VanDerWaalsContact O-CG 3.27Å; K156-L160 WeakPolarHBondContact O-CG 3.31Å; K156-L160 PolarHBondContact O-N 3.39Å; K156-T195 WeakPolarHBondContact CE-O 3.45Å; K156-T195 PolarHBondContact NZ-O 2.93Å; K156-D196 VanDerWaalsContact NZ-CA 3.34Å; K156-D196 IonicContact NZ-OD1 3.29Å; K156-D196 PolarHBondContact NZ-OD1 3.09Å; K156-Y316 HydrophobicContact CB-CD1 4.04Å; K156-Y316 HydrophobicContact CB-CE1 4.08Å; K156-Y316 HydrophobicContact CB-CG 4.39Å; K156-Y316 HydrophobicContact CD-CD2 4.21Å; K156-Y316 HydrophobicContact CD-CE2 4.03Å; K156-Y316 HydrophobicContact CG-CD1 4.01Å; K156-Y316 HydrophobicContact CG-CD2 3.88Å; K156-Y316 HydrophobicContact CG-CE1 4.2Å; K156-Y316 HydrophobicContact CG-CE2 4.11Å; K156-Y316 HydrophobicContact CG-CG 3.86Å
157	R	97.7	Very high	95.6	Very high	147 Å²	147	75 Å²	75	56%	0.555	37%	0.369	S	S	*	.	H	α-helix	trans	-62.8	-45.7	176.9	-178.8	-177.6	62	-174.1	-2.1	111.2	A153 E154 F155 I159 L160 D161	A153-R157 WeakPolarHBondContact O-CB 3.43Å; A153-R157 PolarHBondContact O-N 3.46Å; E154-R157 PolarHBondContact O-N 3.24Å; F155-R157 VanDerWaalsContact C-N 3.31Å; F155-R157 PolarHBondContact O-N 3.48Å; R157-I159 PolarHBondContact O-N 3.39Å; R157-L160 PolarHBondContact O-N 2.77Å; R157-D161 WeakPolarHBondContact CG-OD2 3.31Å; R157-D161 WeakPolarHBondContact O-CB 3.5Å; R157-D161 VanDerWaalsContact O-CG 3.24Å; R157-D161 PolarHBondContact O-N 2.68Å
158	E	97.1	Very high	96	Very high	77 Å²	77	72.5 Å²	72.5	36%	0.36	36%	0.361	S	S	.	.	H	α-helix	trans	-59	-45.3	177.8	-172	-174	173.5	0	0	112	E154 F155 L160 D161 V162 R318	E154-E158 PolarHBondContact O-N 2.9Å; F155-E158 WeakPolarHBondContact O-CB 3.17Å; F155-E158 PolarHBondContact O-N 2.92Å; E158-L160 PolarHBondContact O-N 3.47Å; E158-D161 PolarHBondContact O-N 3.45Å; E158-V162 HydrophobicContact CG-CG2 4.42Å; E158-V162 WeakPolarHBondContact O-CB 3.44Å; E158-V162 WeakPolarHBondContact O-CG2 3.32Å; E158-V162 PolarHBondContact O-N 2.93Å; E158-R318 VanDerWaalsContact CD-NH1 3.3Å; E158-R318 IonicContact OE1-CZ 2.96Å; E158-R318 IonicContact OE1-NH1 2.66Å; E158-R318 PolarHBondContact OE1-NH1 3.39Å; E158-R318 IonicContact OE1-NH2 3.97Å; E158-R318 IonicContact OE2-NH1 3.97Å; E158-R318 IonicContact OE2-NH2 3.84Å
159	I	97.6	Very high	96.2	Very high	1 Å²	1	75 Å²	75	1%	0.005	37%	0.368	C	S	.	.	H	α-helix	trans	-60	-46	175.2	-63	-55.3	0	0	0	110.9	F155 K156 R157 D161 Q163 K164 C166 C167 Y316 Y317 R318	F155-I159 HydrophobicContact CD2-CG1 4.26Å; F155-I159 HydrophobicContact CE1-CG1 4.24Å; F155-I159 HydrophobicContact CE2-CD1 3.89Å; F155-I159 HydrophobicContact CE2-CG1 3.85Å; F155-I159 HydrophobicContact CZ-CD1 4.14Å; F155-I159 HydrophobicContact CZ-CG1 3.84Å; F155-I159 WeakPolarHBondContact O-CG1 3.5Å; F155-I159 PolarHBondContact O-N 3.46Å; K156-I159 PolarHBondContact O-N 3.23Å; R157-I159 PolarHBondContact O-N 3.39Å; I159-D161 VanDerWaalsContact C-N 3.32Å; I159-D161 PolarHBondContact O-N 3.36Å; I159-Q163 CarbonylContact O-C 2.94Å; I159-Q163 WeakPolarHBondContact O-CA 3.43Å; I159-Q163 PolarHBondContact O-N 3.26Å; I159-Q163 VanDerWaalsContact O-O 3.13Å; I159-K164 PolarHBondContact O-N 3.35Å; I159-C166 HydrophobicContact CG2-CB 4.25Å; I159-C167 HydrophobicContact CG2-CB 4.31Å; I159-Y316 HydrophobicContact CB-CD1 4.36Å; I159-Y316 HydrophobicContact CG2-CD1 4.25Å; I159-Y317 WeakPolarHBondContact CD1-O 3.38Å; I159-R318 HydrophobicContact CD1-CB 3.89Å
160	L	97.2	Very high	96.4	Very high	78 Å²	78	72.2 Å²	72.2	41%	0.408	36%	0.357	S	S	.	.	H	α-helix	trans	-66.4	-32.7	-179.9	-69.9	173.8	0	0	0	113.5	K156 R157 E158 C167 Y316	K156-L160 VanDerWaalsContact O-CG 3.27Å; K156-L160 WeakPolarHBondContact O-CG 3.31Å; K156-L160 PolarHBondContact O-N 3.39Å; R157-L160 PolarHBondContact O-N 2.77Å; E158-L160 PolarHBondContact O-N 3.47Å; L160-C167 HydrophobicContact CD2-CB 4.18Å; L160-Y316 HydrophobicContact CD1-CE1 3.95Å; L160-Y316 HydrophobicContact CD2-CE1 3.92Å; L160-Y316 HydrophobicContact CG-CD1 4.34Å; L160-Y316 HydrophobicContact CG-CE1 3.82Å
161	D	96.6	Very high	96.6	Very high	122 Å²	122	65.6 Å²	65.6	65%	0.652	33%	0.333	S	S	*	.	H	α-helix	trans	-82.5	-37.5	-177.6	-71.4	-16.2	0	0	0	112.6	R157 E158 I159	R157-D161 WeakPolarHBondContact CG-OD2 3.31Å; R157-D161 WeakPolarHBondContact O-CB 3.5Å; R157-D161 VanDerWaalsContact O-CG 3.24Å; R157-D161 PolarHBondContact O-N 2.68Å; E158-D161 PolarHBondContact O-N 3.45Å; I159-D161 VanDerWaalsContact C-N 3.32Å; I159-D161 PolarHBondContact O-N 3.36Å
162	V	94.5	Very high	96.6	Very high	107 Å²	107	64.7 Å²	64.7	65%	0.648	33%	0.331	S	S	*	.	H	α-helix	trans	-109.3	-35.9	-169.9	-171.9	0	0	0	0	113.1	E158	E158-V162 HydrophobicContact CG-CG2 4.42Å; E158-V162 WeakPolarHBondContact O-CB 3.44Å; E158-V162 WeakPolarHBondContact O-CG2 3.32Å; E158-V162 PolarHBondContact O-N 2.93Å
163	Q	92.2	Very high	96.6	Very high	60 Å²	60	66.4 Å²	66.4	28%	0.28	34%	0.341	S	S	.	.			trans	-139.6	57.9	-168	-61.3	-176.6	-47.4	0	0	111	I159 E165 C166 R318	I159-Q163 CarbonylContact O-C 2.94Å; I159-Q163 WeakPolarHBondContact O-CA 3.43Å; I159-Q163 PolarHBondContact O-N 3.26Å; I159-Q163 VanDerWaalsContact O-O 3.13Å; Q163-E165 PolarHBondContact O-N 3.48Å; Q163-E165 VanDerWaalsContact O-N 3.15Å; Q163-C166 HydrophobicContact CB-CB 4.36Å; Q163-C166 WeakPolarHBondContact O-CB 3.42Å; Q163-C166 PolarHBondContact O-N 3.39Å; Q163-R318 VanDerWaalsContact OE1-CD 3.3Å
164	K	94.3	Very high	96.6	Very high	152 Å²	152	62.8 Å²	62.8	66%	0.661	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-60.2	-29.8	-171.6	-174.4	179	177.1	-176.6	0	112.9	I159 C166 C167	I159-K164 PolarHBondContact O-N 3.35Å; K164-C166 PolarHBondContact O-N 2.88Å; K164-C167 WeakPolarHBondContact O-CB 3.23Å; K164-C167 PolarHBondContact O-N 2.95Å
165	E	94.6	Very high	96.6	Very high	138 Å²	138	59.3 Å²	59.3	65%	0.645	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-61.5	-22.4	173.6	64.8	-83	-165.9	0	0	113.3	Q163 C167	Q163-E165 PolarHBondContact O-N 3.48Å; Q163-E165 VanDerWaalsContact O-N 3.15Å; E165-C167 PolarHBondContact O-N 2.97Å
166	C	96.3	Very high	96.6	Very high	19 Å²	19	59.2 Å²	59.2	13%	0.128	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-87.5	14.8	173.8	-50.6	0	0	0	0	113.1	I159 Q163 K164 Y317	I159-C166 HydrophobicContact CG2-CB 4.25Å; Q163-C166 HydrophobicContact CB-CB 4.36Å; Q163-C166 WeakPolarHBondContact O-CB 3.42Å; Q163-C166 PolarHBondContact O-N 3.39Å; K164-C166 PolarHBondContact O-N 2.88Å; C166-Y317 HydrophobicContact CB-CD1 4.16Å; C166-Y317 HydrophobicContact CB-CE1 4Å; C166-Y317 HydrophobicContact CB-CE2 4.37Å; C166-Y317 HydrophobicContact CB-CG 4.42Å; C166-Y317 WeakPolarHBondContact CB-O 3.36Å; C166-Y317 WeakPolarHBondContact O-CD1 3.17Å; C166-Y317 PolarHBondContact O-N 3.41Å
167	C	97.7	Very high	96.6	Very high	21 Å²	21	59 Å²	59	14%	0.142	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	107.2	166.4	-177	0	0	0	0	109.6	I159 L160 K164 E165 L315 Y316	I159-C167 HydrophobicContact CG2-CB 4.31Å; L160-C167 HydrophobicContact CD2-CB 4.18Å; K164-C167 WeakPolarHBondContact O-CB 3.23Å; K164-C167 PolarHBondContact O-N 2.95Å; E165-C167 PolarHBondContact O-N 2.97Å; C167-L315 CarbonylContact C-O 3.54Å; C167-L315 VanDerWaalsContact CA-O 3.28Å; C167-L315 WeakPolarHBondContact CA-O 3.34Å; C167-Y316 HydrophobicContact CB-CD1 4.25Å
168	I	97.1	Very high	96.7	Very high	25 Å²	25	52 Å²	52	13%	0.128	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	149.5	-176.5	66	173.3	0	0	0	111.7	A176 V218 L315 Y317	I168-A176 HydrophobicContact CD1-CB 3.83Å; I168-V218 HydrophobicContact CD1-CG1 4.03Å; I168-L315 HydrophobicContact CD1-CD2 4.01Å; I168-L315 HydrophobicContact CG1-CB 4Å; I168-L315 HydrophobicContact CG1-CD2 3.98Å; I168-L315 HydrophobicContact CG1-CG 4.39Å; I168-L315 PolarHBondContact N-O 3.2Å; I168-L315 PolarHBondContact O-N 3.46Å; I168-Y317 HydrophobicContact CD1-CE1 4.3Å; I168-Y317 HydrophobicContact CG1-CE1 4.34Å; I168-Y317 HydrophobicContact CG2-CE1 4.29Å
169	K	97.6	Very high	96.7	Very high	100 Å²	100	51 Å²	51	44%	0.435	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	124	174	-173.2	-176	176.5	-170.2	0	109.7	S312 W314	K169-S312 WeakPolarHBondContact CE-OG 3.41Å; K169-W314 HydrophobicContact CB-CD2 4.1Å; K169-W314 HydrophobicContact CB-CE3 3.93Å; K169-W314 HydrophobicContact CB-CH2 3.98Å; K169-W314 HydrophobicContact CB-CZ2 4.14Å; K169-W314 HydrophobicContact CB-CZ3 3.87Å; K169-W314 HydrophobicContact CD-CZ2 4.17Å; K169-W314 HydrophobicContact CG-CD2 4.42Å; K169-W314 HydrophobicContact CG-CZ2 4.42Å
170	I	97.7	Very high	96.7	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	114.8	172.5	-47.3	-179.9	0	0	0	107.6	A174 A176 L200 F303 N305 S312 K313 L315	I170-A174 HydrophobicContact CG2-CB 4.2Å; I170-A174 WeakPolarHBondContact CG2-O 3.23Å; I170-A176 HydrophobicContact CD1-CB 3.71Å; I170-A176 HydrophobicContact CG1-CB 3.86Å; I170-L200 HydrophobicContact CD1-CD1 4.2Å; I170-L200 HydrophobicContact CD1-CD2 4.05Å; I170-F303 HydrophobicContact CD1-CB 3.57Å; I170-N305 HydrophobicContact CB-CB 4.39Å; I170-N305 HydrophobicContact CG2-CB 3.62Å; I170-N305 PolarHBondContact O-ND2 2.71Å; I170-S312 CarbonylContact O-C 3.53Å; I170-S312 WeakPolarHBondContact O-CA 3.26Å; I170-S312 WeakPolarHBondContact O-CB 3.06Å; I170-K313 PolarHBondContact N-O 2.76Å; I170-K313 PolarHBondContact O-N 3.43Å; I170-L315 HydrophobicContact CD1-CB 4.11Å; I170-L315 HydrophobicContact CD1-CD2 4.12Å; I170-L315 HydrophobicContact CG1-CB 4.44Å
171	S	97.2	Very high	96.7	Very high	36 Å²	36	48.7 Å²	48.7	25%	0.252	25%	0.253	S	S	.	.			trans	-61	163.7	177.7	-67.8	0	0	0	0	111.9	A174 N305	S171-A174 WeakPolarHBondContact O-CB 3.35Å; S171-A174 PolarHBondContact O-N 2.86Å; S171-N305 PolarHBondContact O-ND2 3.08Å
172	S	96.4	Very high	96.7	Very high	41 Å²	41	43.5 Å²	43.5	29%	0.287	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	146.7	164.7	42.9	0	0	0	0	109.6	A174 S308	S172-A174 PolarHBondContact O-N 2.8Å; S172-S308 CarbonylContact C-O 3.58Å; S172-S308 VanDerWaalsContact CA-O 3.28Å; S172-S308 WeakPolarHBondContact CA-O 3.32Å; S172-S308 WeakPolarHBondContact CB-O 3.43Å
173	L	96.7	Very high	96.6	Very high	64 Å²	64	41.5 Å²	41.5	34%	0.335	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	33.5	-179.2	-56.4	179.5	0	0	0	113.1	S223 N305 S306 S308 L309	L173-S223 PolarHBondContact O-N 3.29Å; L173-S223 PolarHBondContact O-OG 3.41Å; L173-N305 PolarHBondContact N-O 2.92Å; L173-S306 WeakPolarHBondContact CD2-O 3.32Å; L173-S308 PolarHBondContact N-O 3.3Å; L173-S308 VanDerWaalsContact N-O 3.07Å; L173-L309 HydrophobicContact CD2-CD2 3.98Å
174	A	97.1	Very high	96.6	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	155.6	-177.3	0	0	0	0	0	112.1	I170 S171 S172 I220 S221 E222 N305 S306	I170-A174 HydrophobicContact CG2-CB 4.2Å; I170-A174 WeakPolarHBondContact CG2-O 3.23Å; S171-A174 WeakPolarHBondContact O-CB 3.35Å; S171-A174 PolarHBondContact O-N 2.86Å; S172-A174 PolarHBondContact O-N 2.8Å; A174-I220 HydrophobicContact CB-CG2 4.26Å; A174-S221 CarbonylContact C-O 3.52Å; A174-S221 VanDerWaalsContact CA-O 3.27Å; A174-S221 WeakPolarHBondContact CA-O 3.39Å; A174-E222 HydrophobicContact CB-CG 4.17Å; A174-N305 CarbonylContact O-C 3.24Å; A174-N305 VanDerWaalsContact O-C 3.24Å; A174-N305 WeakPolarHBondContact O-CA 3.34Å; A174-N305 WeakPolarHBondContact O-CB 3.49Å; A174-N305 PolarHBondContact O-N 3.21Å; A174-S306 PolarHBondContact O-N 3.26Å
175	T	97.7	Very high	96.4	Very high	26 Å²	26	42.6 Å²	42.6	16%	0.16	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	127.1	176.2	-63.7	0	0	0	0	108.9	I220 S221 F303 D304	T175-I220 WeakPolarHBondContact O-CA 3.47Å; T175-S221 PolarHBondContact N-O 2.88Å; T175-S221 PolarHBondContact O-N 2.98Å; T175-F303 WeakPolarHBondContact CA-O 2.95Å; T175-D304 HydrophobicContact CG2-CB 4.43Å; T175-D304 PolarHBondContact OG1-OD1 3.41Å
176	A	97.9	Very high	96.2	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	131.7	168.8	0	0	0	0	0	109.7	I168 I170 N219 I220 F303	I168-A176 HydrophobicContact CD1-CB 3.83Å; I170-A176 HydrophobicContact CD1-CB 3.71Å; I170-A176 HydrophobicContact CG1-CB 3.86Å; A176-N219 CarbonylContact C-O 3.53Å; A176-N219 WeakPolarHBondContact CA-O 3.14Å; A176-I220 HydrophobicContact CB-CG1 4.09Å; A176-F303 HydrophobicContact CB-CB 4.24Å; A176-F303 PolarHBondContact N-O 3.23Å; A176-F303 PolarHBondContact O-N 2.63Å
177	T	98.2	Very high	96	Very high	24 Å²	24	43.7 Å²	43.7	15%	0.147	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	118.7	177.3	-56.8	0	0	0	0	108.6	R179 V218 N219 V300 F301	T177-R179 HydrophobicContact CG2-CG 4.09Å; T177-V218 WeakPolarHBondContact O-CA 3.45Å; T177-N219 PolarHBondContact N-O 3.44Å; T177-N219 PolarHBondContact O-N 2.95Å; T177-V300 HydrophobicContact CG2-CG1 3.46Å; T177-V300 VanDerWaalsContact CG2-CG1 3.46Å; T177-F301 CarbonylContact C-O 3.42Å; T177-F301 VanDerWaalsContact CA-O 3.32Å; T177-F301 WeakPolarHBondContact CA-O 3.22Å
178	V	98.1	Very high	95.7	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.006	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	118.8	172.5	-173.9	0	0	0	0	108	V180 I216 S217 V218 F301 F303 Y317 I319	V178-V180 HydrophobicContact CG1-CG2 3.89Å; V178-I216 HydrophobicContact CG1-CG2 4.01Å; V178-S217 CarbonylContact C-O 3.59Å; V178-S217 WeakPolarHBondContact CA-O 3.17Å; V178-V218 HydrophobicContact CG1-CG2 4.16Å; V178-V218 HydrophobicContact CG2-CG1 4.27Å; V178-V218 HydrophobicContact CG2-CG2 4.17Å; V178-F301 HydrophobicContact CB-CB 4.16Å; V178-F301 PolarHBondContact N-O 2.99Å; V178-F301 PolarHBondContact O-N 2.78Å; V178-F303 HydrophobicContact CG2-CD2 4.19Å; V178-F303 HydrophobicContact CG2-CE2 3.91Å; V178-Y317 HydrophobicContact CG1-CE2 4.24Å; V178-Y317 HydrophobicContact CG2-CE2 4.28Å; V178-I319 HydrophobicContact CB-CD1 4.42Å; V178-I319 HydrophobicContact CG1-CD1 3.94Å
179	R	98	Very high	95.7	Very high	56 Å²	56	42 Å²	42	21%	0.211	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	120.7	179.4	-64.5	176.6	60.8	88.2	-2.6	109.2	T177 E207 I216 S217 V298 Y299 V300	T177-R179 HydrophobicContact CG2-CG 4.09Å; R179-E207 IonicContact CZ-OE1 2.83Å; R179-E207 IonicContact CZ-OE2 3.16Å; R179-E207 IonicContact NH1-OE1 2.6Å; R179-E207 IonicContact NH1-OE2 3.77Å; R179-E207 PolarHBondContact NH1-OE2 3.3Å; R179-E207 VanDerWaalsContact NH2-CD 3.31Å; R179-E207 IonicContact NH2-OE1 2.71Å; R179-E207 PolarHBondContact NH2-OE1 2.93Å; R179-E207 IonicContact NH2-OE2 3.62Å; R179-E207 PolarHBondContact NH2-OE2 3.39Å; R179-I216 WeakPolarHBondContact O-CA 3.25Å; R179-I216 WeakPolarHBondContact O-CG2 3.44Å; R179-S217 WeakPolarHBondContact CB-OG 3.31Å; R179-S217 PolarHBondContact N-O 3.11Å; R179-S217 PolarHBondContact O-N 2.96Å; R179-S217 VanDerWaalsContact O-N 3.11Å; R179-V298 HydrophobicContact CB-CG1 3.8Å; R179-V298 HydrophobicContact CG-CG1 4.48Å; R179-Y299 CarbonylContact C-O 3.54Å; R179-Y299 VanDerWaalsContact CA-O 3.31Å; R179-Y299 WeakPolarHBondContact CA-O 3.33Å; R179-V300 HydrophobicContact CG-CG1 4.46Å; R179-V300 HydrophobicContact CG-CG2 4.43Å
180	V	97.9	Very high	95.6	Very high	12 Å²	12	38 Å²	38	7%	0.073	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	104.7	-173.7	-173.8	0	0	0	0	109.6	V178 I189 I216 Y299 F301 I319	V178-V180 HydrophobicContact CG1-CG2 3.89Å; V180-I189 HydrophobicContact CB-CD1 4.07Å; V180-I189 HydrophobicContact CG1-CD1 3.85Å; V180-I216 HydrophobicContact CG1-CD1 4.25Å; V180-I216 HydrophobicContact CG1-CG1 4.24Å; V180-I216 HydrophobicContact CG2-CG1 4.46Å; V180-I216 HydrophobicContact CG2-CG2 4.19Å; V180-Y299 PolarHBondContact N-O 2.77Å; V180-Y299 PolarHBondContact O-N 2.73Å; V180-F301 HydrophobicContact CB-CE2 4.1Å; V180-F301 HydrophobicContact CG2-CD2 3.98Å; V180-F301 HydrophobicContact CG2-CE2 3.81Å; V180-I319 HydrophobicContact CG1-CG2 4.18Å; V180-I319 HydrophobicContact CG2-CD1 3.98Å; V180-I319 HydrophobicContact CG2-CG2 4.1Å
181	P	97.3	Very high	95.7	Very high	18 Å²	18	38.2 Å²	38.2	12%	0.117	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	146.2	173.6	-24.6	34.7	0	0	0	112.5	H183 P212 P213	P181-H183 PolarHBondContact O-N 3.14Å; P181-P212 HydrophobicContact CB-CB 4.18Å; P181-P213 WeakPolarHBondContact CB-O 3.45Å; P181-P213 HydrophobicContact CG-CG 4.2Å; P181-P213 WeakPolarHBondContact CG-O 3.19Å
182	T	95.4	Very high	95.7	Very high	14 Å²	14	37.5 Å²	37.5	9%	0.086	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-65.6	128.2	168.4	51.3	0	0	0	0	110.1	F206 Y293 G295 V296 G297 Y299	T182-F206 HydrophobicContact CG2-CE2 3.72Å; T182-F206 HydrophobicContact CG2-CZ 4.04Å; T182-Y293 HydrophobicContact CG2-CD1 4.32Å; T182-Y293 HydrophobicContact CG2-CD2 4.05Å; T182-Y293 HydrophobicContact CG2-CE1 4.38Å; T182-Y293 HydrophobicContact CG2-CE2 4.15Å; T182-Y293 HydrophobicContact CG2-CG 4.14Å; T182-G295 WeakPolarHBondContact CG2-O 3.44Å; T182-V296 WeakPolarHBondContact OG1-CA 3.41Å; T182-G297 PolarHBondContact N-O 3Å; T182-G297 PolarHBondContact OG1-N 2.72Å; T182-G297 PolarHBondContact OG1-O 3.19Å; T182-Y299 HydrophobicContact CG2-CD2 4.35Å; T182-Y299 HydrophobicContact CG2-CE2 4.04Å
183	H	93.9	Very high	95.8	Very high	65 Å²	65	35.7 Å²	35.7	30%	0.301	19%	0.186	S	C	.	.	P	Polyproline II helix	trans	-81	135.1	176.5	-170.8	-92.8	0	0	0	110.9	P181 N185 G186 Y321	P181-H183 PolarHBondContact O-N 3.14Å; H183-N185 PolarHBondContact ND1-N 3.38Å; H183-N185 PolarHBondContact O-N 3Å; H183-N185 VanDerWaalsContact O-N 3.12Å; H183-G186 PolarHBondContact O-N 2.76Å; H183-Y321 HydrophobicContact CB-CD1 3.75Å; H183-Y321 HydrophobicContact CB-CD2 4.35Å; H183-Y321 HydrophobicContact CB-CE1 3.89Å; H183-Y321 HydrophobicContact CB-CE2 4.49Å; H183-Y321 HydrophobicContact CB-CG 4.01Å; H183-Y321 AromaticContact CD2-CE1 3.85Å; H183-Y321 AromaticContact CE1-CZ 3.88Å; H183-Y321 AromaticContact CG-CE1 3.65Å; H183-Y321 AromaticContact CG-CZ 3.72Å; H183-Y321 AromaticContact ND1-CE2 3.79Å; H183-Y321 AromaticContact ND1-CZ 3.61Å
184	P	90.8	Very high	95.9	Very high	122 Å²	122	32.6 Å²	32.6	79%	0.792	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-31.5	-176.8	-27.7	34.7	0	0	0	114.9
185	N	90.7	Very high	96	Very high	112 Å²	112	32.7 Å²	32.7	60%	0.599	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.2	3.8	177.4	-58.8	-26.5	0	0	0	113.3	H183 H323	H183-N185 PolarHBondContact ND1-N 3.38Å; H183-N185 PolarHBondContact O-N 3Å; H183-N185 VanDerWaalsContact O-N 3.12Å; N185-H323 PolarHBondContact O-ND1 2.89Å
186	G	91.6	Very high	96	Very high	12 Å²	12	33.6 Å²	33.6	12%	0.124	18%	0.175	C	C	.	.			trans	-92.5	153.1	-179.8	0	0	0	0	0	112	H183 Y293 T322	H183-G186 PolarHBondContact O-N 2.76Å; G186-Y293 VanDerWaalsContact C-CE2 3.47Å; G186-Y293 VanDerWaalsContact O-CD2 3.32Å; G186-Y293 WeakPolarHBondContact O-CD2 3.42Å; G186-Y293 WeakPolarHBondContact O-CE2 3.37Å; G186-T322 CarbonylContact C-O 3.5Å; G186-T322 WeakPolarHBondContact CA-O 3.35Å
187	R	90.4	Very high	95.9	Very high	168 Å²	168	39.1 Å²	39.1	63%	0.634	20%	0.204	S	C	*	.	S	Bend	trans	-118.2	-25.8	175.6	-68.5	-169	-178.5	153.5	-10.3	113.6	Q292 Y293 T322 H323	R187-Q292 WeakPolarHBondContact O-CG 3.36Å; R187-Y293 PolarHBondContact O-N 2.92Å; R187-T322 PolarHBondContact N-O 2.83Å; R187-H323 WeakPolarHBondContact CD-OXT 3.38Å; R187-H323 VanDerWaalsContact CG-OXT 3.22Å; R187-H323 WeakPolarHBondContact CG-OXT 3.16Å; R187-H323 VanDerWaalsContact CZ-OXT 3.25Å; R187-H323 PolarHBondContact NE-OXT 2.95Å; R187-H323 PolarHBondContact NH1-OXT 3.42Å; R187-H323 VanDerWaalsContact NH1-OXT 3.14Å
188	A	92.6	Very high	95.9	Very high	11 Å²	11	42.2 Å²	42.2	9%	0.091	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	155	178.2	0	0	0	0	0	110.5	H291 Y321 T322	A188-H291 CarbonylContact C-O 3.58Å; A188-H291 VanDerWaalsContact CA-O 3.23Å; A188-H291 WeakPolarHBondContact CA-O 3.25Å; A188-H291 WeakPolarHBondContact CB-O 3.2Å; A188-Y321 CarbonylContact O-C 3.45Å; A188-Y321 WeakPolarHBondContact O-CA 3.48Å; A188-Y321 WeakPolarHBondContact O-CB 3.4Å; A188-T322 PolarHBondContact O-N 3.38Å
189	I	96.2	Very high	95.9	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.005	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	145.4	168.8	-162.8	156.3	0	0	0	108.8	V180 W191 T290 H291 Y293 Y299 F301 I319	V180-I189 HydrophobicContact CB-CD1 4.07Å; V180-I189 HydrophobicContact CG1-CD1 3.85Å; I189-W191 HydrophobicContact CG2-CE3 4.08Å; I189-W191 HydrophobicContact CG2-CZ3 3.89Å; I189-T290 CarbonylContact O-C 3.54Å; I189-T290 WeakPolarHBondContact O-CA 3.28Å; I189-T290 WeakPolarHBondContact O-CB 3.39Å; I189-T290 PolarHBondContact O-OG1 2.85Å; I189-H291 HydrophobicContact CG2-CB 4.05Å; I189-H291 PolarHBondContact N-O 3.05Å; I189-H291 PolarHBondContact O-N 2.98Å; I189-Y293 HydrophobicContact CB-CE1 3.94Å; I189-Y293 VanDerWaalsContact N-CE1 3.33Å; I189-Y299 HydrophobicContact CB-CD2 4.35Å; I189-Y299 HydrophobicContact CB-CE2 4.13Å; I189-Y299 HydrophobicContact CD1-CD1 4.38Å; I189-Y299 HydrophobicContact CD1-CD2 3.67Å; I189-Y299 HydrophobicContact CD1-CE2 4.29Å; I189-Y299 HydrophobicContact CD1-CG 3.71Å; I189-Y299 HydrophobicContact CG2-CD1 3.91Å; I189-Y299 HydrophobicContact CG2-CD2 4.25Å; I189-Y299 HydrophobicContact CG2-CE1 3.54Å; I189-Y299 HydrophobicContact CG2-CE2 3.93Å; I189-Y299 HydrophobicContact CG2-CG 4.23Å; I189-F301 HydrophobicContact CD1-CE2 3.58Å; I189-F301 HydrophobicContact CD1-CZ 3.53Å; I189-F301 HydrophobicContact CG1-CZ 4.03Å; I189-I319 HydrophobicContact CD1-CG2 3.71Å; I189-I319 HydrophobicContact CG1-CG2 3.74Å
190	C	96.9	Very high	95.9	Very high	15 Å²	15	40.5 Å²	40.5	10%	0.101	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	143	171.9	-66.8	0	0	0	0	108.7	G289 T290 I319 F320	C190-G289 VanDerWaalsContact CA-O 3.31Å; C190-G289 WeakPolarHBondContact CA-O 3.25Å; C190-T290 PolarHBondContact SG-OG1 2.92Å; C190-T290 VanDerWaalsContact SG-OG1 3.38Å; C190-I319 WeakPolarHBondContact O-CA 3.43Å; C190-F320 HydrophobicContact CB-CD1 4.24Å; C190-F320 HydrophobicContact CB-CD2 3.76Å; C190-F320 HydrophobicContact CB-CE1 3.86Å; C190-F320 HydrophobicContact CB-CE2 3.32Å; C190-F320 HydrophobicContact CB-CG 4.2Å; C190-F320 HydrophobicContact CB-CZ 3.38Å; C190-F320 PolarHBondContact N-O 3.12Å; C190-F320 PolarHBondContact O-N 2.95Å
191	W	98.2	Very high	96	Very high	5 Å²	5	40 Å²	40	2%	0.019	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	153.7	177.6	64.3	90.1	0	0	0	111.8	A144 V146 I189 F193 F202 L204 I275 C288 G289 T290 H291 F301 R318 I319	A144-W191 HydrophobicContact CB-CH2 3.96Å; V146-W191 HydrophobicContact CG2-CZ2 4.21Å; I189-W191 HydrophobicContact CG2-CE3 4.08Å; I189-W191 HydrophobicContact CG2-CZ3 3.89Å; W191-F193 AromaticContact CD1-CD1 4Å; W191-F202 AromaticContact CD1-CZ 3.94Å; W191-F202 AromaticContact NE1-CE1 3.8Å; W191-F202 AromaticContact NE1-CZ 3.61Å; W191-L204 HydrophobicContact CE3-CD2 4.38Å; W191-L204 HydrophobicContact CH2-CD2 3.63Å; W191-L204 HydrophobicContact CZ2-CD2 4.13Å; W191-L204 HydrophobicContact CZ3-CD2 3.77Å; W191-I275 HydrophobicContact CH2-CD1 4.12Å; W191-I275 HydrophobicContact CZ2-CD1 3.63Å; W191-C288 CarbonylContact O-C 3.55Å; W191-C288 VanDerWaalsContact O-CA 3.25Å; W191-C288 WeakPolarHBondContact O-CA 3.43Å; W191-G289 VanDerWaalsContact CE2-CA 3.42Å; W191-G289 VanDerWaalsContact CZ2-CA 3.47Å; W191-G289 PolarHBondContact N-O 3.37Å; W191-G289 PolarHBondContact O-N 3.14Å; W191-T290 VanDerWaalsContact CZ3-C 3.45Å; W191-T290 VanDerWaalsContact CZ3-CA 3.49Å; W191-H291 HydrophobicContact CH2-CB 4.24Å; W191-H291 HydrophobicContact CZ3-CB 4Å; W191-F301 HydrophobicContact CB-CD1 4.49Å; W191-F301 HydrophobicContact CB-CE1 3.65Å; W191-F301 HydrophobicContact CB-CZ 4.27Å; W191-F301 AromaticContact CD2-CE1 3.82Å; W191-F301 HydrophobicContact CD2-CE1 3.82Å; W191-F301 AromaticContact CE3-CE1 3.93Å; W191-F301 HydrophobicContact CE3-CE1 3.93Å; W191-F301 HydrophobicContact CE3-CZ 4.24Å; W191-F301 AromaticContact CG-CE1 3.71Å; W191-F301 HydrophobicContact CG-CE1 3.71Å; W191-R318 CarbonylContact C-O 3.51Å; W191-R318 VanDerWaalsContact CA-O 3.3Å; W191-R318 WeakPolarHBondContact CA-O 3.5Å; W191-I319 HydrophobicContact CB-CG1 4.02Å
192	E	98.2	Very high	96	Very high	21 Å²	21	39.3 Å²	39.3	10%	0.098	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	137.8	174.3	-56.9	178.2	106.2	0	0	108.4	R149 F155 V286 Y287 C288 Y317 R318	R149-E192 IonicContact CZ-OE1 3.35Å; R149-E192 VanDerWaalsContact CZ-OE1 3.29Å; R149-E192 IonicContact NE-OE1 2.96Å; R149-E192 PolarHBondContact NE-OE1 3.48Å; R149-E192 IonicContact NH2-OE1 2.63Å; R149-E192 PolarHBondContact NH2-OE1 3.08Å; F155-E192 HydrophobicContact CE2-CB 3.77Å; F155-E192 HydrophobicContact CZ-CB 4.01Å; E192-V286 HydrophobicContact CB-CG1 4.21Å; E192-Y287 CarbonylContact C-O 3.53Å; E192-Y287 VanDerWaalsContact CA-O 3.25Å; E192-Y287 WeakPolarHBondContact CA-O 3.43Å; E192-C288 HydrophobicContact CG-CB 4.4Å; E192-Y317 CarbonylContact O-C 3.53Å; E192-Y317 WeakPolarHBondContact O-CA 3.27Å; E192-R318 PolarHBondContact N-O 3.5Å; E192-R318 PolarHBondContact O-N 2.93Å; E192-R318 IonicContact OE1-NH2 2.73Å; E192-R318 IonicContact OE2-CZ 3.11Å; E192-R318 IonicContact OE2-NE 3.07Å; E192-R318 PolarHBondContact OE2-NE 3.32Å; E192-R318 IonicContact OE2-NH2 2.68Å; E192-R318 PolarHBondContact OE2-NH2 3.46Å
193	F	98.6	Very high	96.1	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.009	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	154.8	174	67.9	-85.9	0	0	0	113.9	W191 F202 R280 C282 Y287 F303 L315 Y316	W191-F193 AromaticContact CD1-CD1 4Å; F193-F202 HydrophobicContact CD1-CD2 4.36Å; F193-F202 HydrophobicContact CD1-CE2 4.29Å; F193-F202 HydrophobicContact CE1-CB 4.43Å; F193-F202 AromaticContact CE1-CD1 3.88Å; F193-F202 HydrophobicContact CE1-CD1 3.88Å; F193-F202 AromaticContact CE1-CD2 3.7Å; F193-F202 HydrophobicContact CE1-CD2 3.7Å; F193-F202 AromaticContact CE1-CE1 4Å; F193-F202 HydrophobicContact CE1-CE1 4Å; F193-F202 AromaticContact CE1-CE2 3.81Å; F193-F202 HydrophobicContact CE1-CE2 3.81Å; F193-F202 AromaticContact CE1-CG 3.72Å; F193-F202 HydrophobicContact CE1-CG 3.72Å; F193-F202 AromaticContact CE1-CZ 3.97Å; F193-F202 HydrophobicContact CE1-CZ 3.97Å; F193-F202 HydrophobicContact CE2-CB 4.19Å; F193-F202 HydrophobicContact CE2-CD2 4.45Å; F193-F202 HydrophobicContact CE2-CG 4.31Å; F193-F202 HydrophobicContact CZ-CB 3.67Å; F193-F202 AromaticContact CZ-CD1 3.83Å; F193-F202 HydrophobicContact CZ-CD1 3.83Å; F193-F202 AromaticContact CZ-CD2 3.75Å; F193-F202 HydrophobicContact CZ-CD2 3.75Å; F193-F202 HydrophobicContact CZ-CE1 4.42Å; F193-F202 HydrophobicContact CZ-CE2 4.34Å; F193-F202 AromaticContact CZ-CG 3.45Å; F193-F202 HydrophobicContact CZ-CG 3.45Å; F193-F202 VanDerWaalsContact CZ-CG 3.45Å; F193-R280 HydrophobicContact CZ-CG 4.37Å; F193-C282 HydrophobicContact CD2-CB 3.85Å; F193-C282 HydrophobicContact CE2-CB 3.63Å; F193-Y287 VanDerWaalsContact CE1-CB 3.49Å; F193-Y287 HydrophobicContact CE1-CG 4.47Å; F193-Y287 HydrophobicContact CE2-CG 4.28Å; F193-Y287 HydrophobicContact CZ-CD1 4.29Å; F193-Y287 AromaticContact CZ-CG 3.95Å; F193-Y287 HydrophobicContact CZ-CG 3.95Å; F193-Y287 PolarHBondContact N-O 3.03Å; F193-Y287 PolarHBondContact O-N 2.98Å; F193-F303 HydrophobicContact CB-CE1 4.01Å; F193-F303 HydrophobicContact CB-CZ 4.44Å; F193-F303 HydrophobicContact CD1-CE1 4.03Å; F193-F303 HydrophobicContact CD2-CE1 4Å; F193-F303 HydrophobicContact CE2-CE1 4.49Å; F193-F303 AromaticContact CG-CE1 3.75Å; F193-F303 HydrophobicContact CG-CE1 3.75Å; F193-L315 HydrophobicContact CB-CD1 3.88Å; F193-L315 HydrophobicContact CD2-CD1 4.24Å; F193-L315 HydrophobicContact CG-CD1 4.44Å; F193-Y316 CarbonylContact C-O 3.52Å; F193-Y316 WeakPolarHBondContact CA-O 3.31Å; F193-Y316 WeakPolarHBondContact CB-O 3.14Å
194	A	98.7	Very high	96.3	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	163.5	175	0	0	0	0	0	111	I152 F155 C282 Y316	I152-A194 HydrophobicContact CD1-CB 4.04Å; I152-A194 HydrophobicContact CG1-CB 3.92Å; F155-A194 HydrophobicContact CD1-CB 3.77Å; F155-A194 HydrophobicContact CE1-CB 3.75Å; A194-C282 CarbonylContact C-O 3.47Å; A194-C282 VanDerWaalsContact CA-O 3.22Å; A194-C282 WeakPolarHBondContact CA-O 3.47Å; A194-C282 WeakPolarHBondContact CB-O 3.21Å; A194-Y316 PolarHBondContact N-O 3.47Å; A194-Y316 PolarHBondContact O-N 3.26Å
195	T	98.6	Very high	96.6	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.006	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	168	174.3	54.4	0	0	0	0	111.4	K156 Y198 L200 C282 H283 W314	K156-T195 WeakPolarHBondContact CE-O 3.45Å; K156-T195 PolarHBondContact NZ-O 2.93Å; T195-Y198 WeakPolarHBondContact CB-O 3.31Å; T195-Y198 PolarHBondContact OG1-O 3.48Å; T195-L200 HydrophobicContact CG2-CB 4.02Å; T195-L200 HydrophobicContact CG2-CD2 3.84Å; T195-C282 PolarHBondContact N-O 2.87Å; T195-C282 PolarHBondContact OG1-O 3.4Å; T195-C282 PolarHBondContact OG1-SG 3.12Å; T195-H283 WeakPolarHBondContact O-CA 3.48Å; T195-H283 WeakPolarHBondContact OG1-CA 3.5Å; T195-H283 WeakPolarHBondContact OG1-CB 3.14Å; T195-H283 PolarHBondContact OG1-N 3.38Å; T195-W314 WeakPolarHBondContact CA-O 3.27Å; T195-W314 WeakPolarHBondContact CB-O 3.27Å
196	D	97.8	Very high	96.9	Very high	46 Å²	46	26.1 Å²	26.1	25%	0.246	12%	0.123	C	C	.	.	S	Bend	trans	-71.8	-63.3	-179.6	-78.3	-31.2	0	0	0	115.2	K156 W314 Y316	K156-D196 VanDerWaalsContact NZ-CA 3.34Å; K156-D196 IonicContact NZ-OD1 3.29Å; K156-D196 PolarHBondContact NZ-OD1 3.09Å; D196-W314 WeakPolarHBondContact OD2-CB 3.42Å; D196-Y316 VanDerWaalsContact OD1-CE2 3.26Å; D196-Y316 WeakPolarHBondContact OD1-CE2 3.35Å; D196-Y316 PolarHBondContact OD1-OH 3.03Å; D196-Y316 PolarHBondContact OD2-OH 3.48Å
197	N	96.8	Very high	97	Very high	116 Å²	116	26.9 Å²	26.9	62%	0.62	12%	0.123	S	C	*	.	S	Bend	trans	-129.3	-10.4	-162.9	-57.7	-58.8	0	0	0	114.4
198	Y	97.8	Very high	97.1	Very high	88 Å²	88	19 Å²	19	35%	0.345	9%	0.094	S	C	.	.	S	Bend	trans	-141.4	152.6	-170	-55.1	-68.3	0	0	0	110.2	T195 R311	T195-Y198 WeakPolarHBondContact CB-O 3.31Å; T195-Y198 PolarHBondContact OG1-O 3.48Å; Y198-R311 HydrophobicContact CD2-CB 4.08Å; Y198-R311 HydrophobicContact CD2-CG 4.41Å; Y198-R311 HydrophobicContact CE1-CG 4.48Å; Y198-R311 HydrophobicContact CE2-CB 4.01Å; Y198-R311 HydrophobicContact CE2-CG 3.98Å; Y198-R311 PolarHBondContact OH-NE 3.2Å
199	D	98.3	Very high	96.9	Very high	21 Å²	21	20 Å²	20	11%	0.112	10%	0.097	C	C	.	.			trans	-60.8	165.9	171	69.5	-48.3	0	0	0	111.8	R279 R280 H283 K313	D199-R279 VanDerWaalsContact CG-NH2 3.28Å; D199-R279 IonicContact OD1-NH2 2.67Å; D199-R279 PolarHBondContact OD1-NH2 2.97Å; D199-R279 VanDerWaalsContact OD1-NH2 3.14Å; D199-R279 IonicContact OD2-CZ 2.71Å; D199-R279 IonicContact OD2-NE 2.77Å; D199-R279 PolarHBondContact OD2-NE 3.2Å; D199-R279 IonicContact OD2-NH2 3.34Å; D199-R279 PolarHBondContact OD2-NH2 2.87Å; D199-R280 CarbonylContact C-O 3.54Å; D199-R280 WeakPolarHBondContact CA-O 3.32Å; D199-R280 VanDerWaalsContact CB-O 3.25Å; D199-R280 WeakPolarHBondContact CB-O 3.46Å; D199-H283 PolarHBondContact N-ND1 2.88Å; D199-K313 WeakPolarHBondContact O-CD 3.34Å; D199-K313 WeakPolarHBondContact O-CE 3.5Å
200	L	98.3	Very high	96.5	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	144.1	179.8	-174.8	68.5	0	0	0	108.9	I170 T195 R280 F303 D304 N305 K313 L315	I170-L200 HydrophobicContact CD1-CD1 4.2Å; I170-L200 HydrophobicContact CD1-CD2 4.05Å; T195-L200 HydrophobicContact CG2-CB 4.02Å; T195-L200 HydrophobicContact CG2-CD2 3.84Å; L200-R280 PolarHBondContact N-O 3.17Å; L200-R280 PolarHBondContact O-N 3.4Å; L200-F303 HydrophobicContact CD2-CB 4.03Å; L200-F303 HydrophobicContact CD2-CD1 3.97Å; L200-F303 HydrophobicContact CD2-CG 4.44Å; L200-D304 VanDerWaalsContact CD1-O 3.31Å; L200-D304 WeakPolarHBondContact CD1-O 3.47Å; L200-N305 HydrophobicContact CD1-CB 3.95Å; L200-K313 HydrophobicContact CB-CD 4.25Å; L200-K313 HydrophobicContact CD1-CB 4.37Å; L200-K313 HydrophobicContact CD1-CD 3.44Å; L200-K313 VanDerWaalsContact CD1-CD 3.44Å; L200-K313 HydrophobicContact CG-CD 4.41Å; L200-L315 HydrophobicContact CD2-CD1 3.94Å
201	G	98.2	Very high	96.1	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.01	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	133.9	172.2	0	0	0	0	0	109.7	F303 D304	G201-F303 CarbonylContact O-C 3.49Å; G201-F303 WeakPolarHBondContact O-CA 3.33Å; G201-D304 WeakPolarHBondContact CA-O 3.23Å; G201-D304 PolarHBondContact N-O 2.82Å; G201-D304 PolarHBondContact O-N 3.35Å
202	F	98.5	Very high	95.7	Very high	4 Å²	4	28.7 Å²	28.7	2%	0.018	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	128.8	176.8	176.1	-103.4	0	0	0	110.7	W191 F193 L204 I275 I277 Y278 R280 F301 K302 F303	W191-F202 AromaticContact CD1-CZ 3.94Å; W191-F202 AromaticContact NE1-CE1 3.8Å; W191-F202 AromaticContact NE1-CZ 3.61Å; F193-F202 HydrophobicContact CD1-CD2 4.36Å; F193-F202 HydrophobicContact CD1-CE2 4.29Å; F193-F202 HydrophobicContact CE1-CB 4.43Å; F193-F202 AromaticContact CE1-CD1 3.88Å; F193-F202 HydrophobicContact CE1-CD1 3.88Å; F193-F202 AromaticContact CE1-CD2 3.7Å; F193-F202 HydrophobicContact CE1-CD2 3.7Å; F193-F202 AromaticContact CE1-CE1 4Å; F193-F202 HydrophobicContact CE1-CE1 4Å; F193-F202 AromaticContact CE1-CE2 3.81Å; F193-F202 HydrophobicContact CE1-CE2 3.81Å; F193-F202 AromaticContact CE1-CG 3.72Å; F193-F202 HydrophobicContact CE1-CG 3.72Å; F193-F202 AromaticContact CE1-CZ 3.97Å; F193-F202 HydrophobicContact CE1-CZ 3.97Å; F193-F202 HydrophobicContact CE2-CB 4.19Å; F193-F202 HydrophobicContact CE2-CD2 4.45Å; F193-F202 HydrophobicContact CE2-CG 4.31Å; F193-F202 HydrophobicContact CZ-CB 3.67Å; F193-F202 AromaticContact CZ-CD1 3.83Å; F193-F202 HydrophobicContact CZ-CD1 3.83Å; F193-F202 AromaticContact CZ-CD2 3.75Å; F193-F202 HydrophobicContact CZ-CD2 3.75Å; F193-F202 HydrophobicContact CZ-CE1 4.42Å; F193-F202 HydrophobicContact CZ-CE2 4.34Å; F193-F202 AromaticContact CZ-CG 3.45Å; F193-F202 HydrophobicContact CZ-CG 3.45Å; F193-F202 VanDerWaalsContact CZ-CG 3.45Å; F202-L204 HydrophobicContact CZ-CB 4.47Å; F202-I275 HydrophobicContact CE1-CD1 4.04Å; F202-I277 WeakPolarHBondContact O-CA 3.41Å; F202-Y278 PolarHBondContact N-O 3.5Å; F202-Y278 PolarHBondContact O-N 3.31Å; F202-R280 HydrophobicContact CB-CG 3.84Å; F202-F301 AromaticContact CE2-CD1 3.94Å; F202-F301 HydrophobicContact CE2-CD1 3.94Å; F202-F301 HydrophobicContact CZ-CD1 4.07Å; F202-K302 WeakPolarHBondContact CA-O 3.14Å; F202-F303 AromaticContact CD2-CD1 3.89Å; F202-F303 HydrophobicContact CD2-CD1 3.89Å; F202-F303 AromaticContact CD2-CE1 3.6Å; F202-F303 HydrophobicContact CD2-CE1 3.6Å; F202-F303 HydrophobicContact CD2-CZ 4.27Å; F202-F303 HydrophobicContact CE2-CD1 4.5Å; F202-F303 AromaticContact CE2-CE1 3.85Å; F202-F303 HydrophobicContact CE2-CE1 3.85Å; F202-F303 HydrophobicContact CE2-CZ 4.08Å
203	G	98	Very high	95.4	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	161.7	169.4	0	0	0	0	0	111.5	I275 K302	G203-I275 CarbonylContact C-O 3.52Å; G203-I275 WeakPolarHBondContact CA-O 3.1Å; G203-K302 PolarHBondContact N-O 2.68Å; G203-K302 PolarHBondContact O-N 2.6Å
204	L	98.1	Very high	95	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	130.1	-177.6	-175.1	62.7	0	0	0	109.6	W191 F202 L274 I275 Y299 F301	W191-L204 HydrophobicContact CE3-CD2 4.38Å; W191-L204 HydrophobicContact CH2-CD2 3.63Å; W191-L204 HydrophobicContact CZ2-CD2 4.13Å; W191-L204 HydrophobicContact CZ3-CD2 3.77Å; F202-L204 HydrophobicContact CZ-CB 4.47Å; L204-L274 HydrophobicContact CB-CB 4.38Å; L204-L274 HydrophobicContact CD2-CB 4.35Å; L204-L274 HydrophobicContact CD2-CD1 4.02Å; L204-L274 HydrophobicContact CG-CB 4.24Å; L204-L274 HydrophobicContact CG-CD1 4.06Å; L204-L274 WeakPolarHBondContact O-CA 3.43Å; L204-L274 WeakPolarHBondContact O-CB 3.37Å; L204-L274 PolarHBondContact O-N 2.84Å; L204-I275 HydrophobicContact CB-CB 3.89Å; L204-I275 HydrophobicContact CB-CD1 3.98Å; L204-I275 HydrophobicContact CB-CG1 4Å; L204-I275 HydrophobicContact CD2-CD1 4.11Å; L204-I275 PolarHBondContact N-O 2.64Å; L204-I275 PolarHBondContact O-N 3.01Å; L204-Y299 HydrophobicContact CD1-CD1 3.97Å; L204-Y299 HydrophobicContact CD2-CD1 4.24Å; L204-Y299 HydrophobicContact CD2-CE1 4.45Å; L204-Y299 HydrophobicContact CG-CD1 4.25Å; L204-F301 HydrophobicContact CD1-CD1 3.61Å; L204-F301 HydrophobicContact CD1-CD2 4.03Å; L204-F301 HydrophobicContact CD1-CE1 3.59Å; L204-F301 HydrophobicContact CD1-CE2 4.01Å; L204-F301 HydrophobicContact CD1-CG 3.83Å; L204-F301 HydrophobicContact CD1-CZ 3.79Å
205	Y	97.1	Very high	94.6	Very high	36 Å²	36	45.6 Å²	45.6	14%	0.141	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	157.8	176.5	-55.2	-98.3	0	0	0	109.9	I271 D272 E273 I277 Y299 V300 K302	Y205-I271 HydrophobicContact CD1-CG2 4.02Å; Y205-I271 HydrophobicContact CG-CG2 4.34Å; Y205-D272 CarbonylContact C-O 3.48Å; Y205-D272 WeakPolarHBondContact CA-O 3.35Å; Y205-D272 WeakPolarHBondContact CB-O 3.2Å; Y205-E273 HydrophobicContact CD1-CB 3.87Å; Y205-E273 HydrophobicContact CD1-CG 4.05Å; Y205-E273 HydrophobicContact CE1-CB 3.72Å; Y205-E273 HydrophobicContact CE1-CG 3.56Å; Y205-E273 WeakPolarHBondContact CE1-OE2 3.47Å; Y205-E273 PolarHBondContact OH-OE2 3.38Å; Y205-I277 HydrophobicContact CE2-CD1 4.44Å; Y205-I277 HydrophobicContact CE2-CG1 4.4Å; Y205-Y299 WeakPolarHBondContact O-CA 3.45Å; Y205-V300 PolarHBondContact N-O 2.83Å; Y205-V300 PolarHBondContact O-N 2.71Å; Y205-K302 HydrophobicContact CD2-CD 4.15Å; Y205-K302 HydrophobicContact CD2-CG 4.21Å; Y205-K302 HydrophobicContact CE2-CB 4.5Å; Y205-K302 HydrophobicContact CE2-CD 3.73Å; Y205-K302 HydrophobicContact CE2-CG 4.11Å
206	F	95.6	Very high	94.5	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	110.9	169.6	-170	-102.4	0	0	0	108.8	T182 W208 I271 D272 L274 P294 Y299	T182-F206 HydrophobicContact CG2-CE2 3.72Å; T182-F206 HydrophobicContact CG2-CZ 4.04Å; F206-W208 AromaticContact CD1-CD2 3.95Å; F206-W208 HydrophobicContact CD1-CD2 3.95Å; F206-W208 AromaticContact CD1-CE2 3.79Å; F206-W208 HydrophobicContact CD1-CG 4.12Å; F206-W208 HydrophobicContact CD1-CZ2 4.23Å; F206-W208 AromaticContact CD1-NE1 3.88Å; F206-W208 AromaticContact CE1-CD2 3.69Å; F206-W208 HydrophobicContact CE1-CD2 3.69Å; F206-W208 AromaticContact CE1-CE2 3.9Å; F206-W208 AromaticContact CE1-CE3 3.82Å; F206-W208 HydrophobicContact CE1-CE3 3.82Å; F206-W208 HydrophobicContact CE1-CG 4.11Å; F206-W208 HydrophobicContact CE1-CH2 4.34Å; F206-W208 HydrophobicContact CE1-CZ2 4.22Å; F206-W208 HydrophobicContact CE1-CZ3 4.16Å; F206-I271 CarbonylContact O-C 3.56Å; F206-I271 WeakPolarHBondContact O-CA 3.25Å; F206-D272 HydrophobicContact CB-CB 4.33Å; F206-D272 PolarHBondContact N-O 2.86Å; F206-D272 PolarHBondContact O-N 3.2Å; F206-L274 HydrophobicContact CB-CD1 3.92Å; F206-L274 HydrophobicContact CB-CD2 4.23Å; F206-L274 HydrophobicContact CB-CG 4.13Å; F206-P294 HydrophobicContact CD1-CG 3.69Å; F206-P294 HydrophobicContact CD2-CG 4.18Å; F206-P294 HydrophobicContact CE1-CG 3.64Å; F206-P294 HydrophobicContact CE2-CG 4.13Å; F206-P294 HydrophobicContact CG-CG 3.95Å; F206-P294 HydrophobicContact CZ-CG 3.87Å; F206-Y299 HydrophobicContact CD2-CD1 4.1Å; F206-Y299 AromaticContact CD2-CD2 3.91Å; F206-Y299 HydrophobicContact CD2-CD2 3.91Å; F206-Y299 AromaticContact CD2-CE1 3.98Å; F206-Y299 HydrophobicContact CD2-CE1 3.98Å; F206-Y299 AromaticContact CD2-CE2 3.76Å; F206-Y299 HydrophobicContact CD2-CE2 3.76Å; F206-Y299 HydrophobicContact CD2-CG 4.08Å; F206-Y299 AromaticContact CD2-CZ 3.8Å; F206-Y299 AromaticContact CE2-CD2 3.96Å; F206-Y299 HydrophobicContact CE2-CD2 3.96Å; F206-Y299 AromaticContact CE2-CE2 3.65Å; F206-Y299 HydrophobicContact CE2-CE2 3.65Å
207	E	94.3	Very high	94.3	Very high	29 Å²	29	50.3 Å²	50.3	14%	0.136	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	117.9	172.1	-175.6	-179.4	112.6	0	0	107.8	R179 D209 L269 I271 G297 V298 V300	R179-E207 IonicContact CZ-OE1 2.83Å; R179-E207 IonicContact CZ-OE2 3.16Å; R179-E207 IonicContact NH1-OE1 2.6Å; R179-E207 IonicContact NH1-OE2 3.77Å; R179-E207 PolarHBondContact NH1-OE2 3.3Å; R179-E207 VanDerWaalsContact NH2-CD 3.31Å; R179-E207 IonicContact NH2-OE1 2.71Å; R179-E207 PolarHBondContact NH2-OE1 2.93Å; R179-E207 IonicContact NH2-OE2 3.62Å; R179-E207 PolarHBondContact NH2-OE2 3.39Å; E207-D209 PolarHBondContact O-N 3.36Å; E207-L269 HydrophobicContact CG-CB 3.87Å; E207-L269 HydrophobicContact CG-CD1 4.26Å; E207-I271 HydrophobicContact CB-CG1 4.11Å; E207-I271 HydrophobicContact CG-CG1 4Å; E207-G297 CarbonylContact O-C 3.54Å; E207-G297 WeakPolarHBondContact O-CA 3.44Å; E207-V298 HydrophobicContact CB-CB 4.43Å; E207-V298 PolarHBondContact N-O 2.93Å; E207-V298 PolarHBondContact O-N 3.33Å; E207-V300 HydrophobicContact CB-CG2 4.13Å
208	W	91.5	Very high	94.3	Very high	3 Å²	3	47.7 Å²	47.7	1%	0.011	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	129.3	179.7	-67.7	85.3	0	0	0	110.1	Q107 L111 L114 F206 L269 P270 D272 P294	Q107-W208 HydrophobicContact CG-CH2 3.8Å; Q107-W208 HydrophobicContact CG-CZ2 3.8Å; L111-W208 HydrophobicContact CD2-CE3 4.09Å; L111-W208 HydrophobicContact CD2-CZ3 4.05Å; L111-W208 HydrophobicContact CG-CZ3 4.46Å; L114-W208 HydrophobicContact CD1-CB 3.19Å; L114-W208 HydrophobicContact CD1-CD2 4.06Å; L114-W208 HydrophobicContact CD1-CE3 4.13Å; L114-W208 HydrophobicContact CD1-CG 3.72Å; L114-W208 HydrophobicContact CD2-CB 3.77Å; L114-W208 VanDerWaalsContact CD2-O 3.28Å; L114-W208 WeakPolarHBondContact CD2-O 2.96Å; L114-W208 HydrophobicContact CG-CB 3.95Å; F206-W208 AromaticContact CD1-CD2 3.95Å; F206-W208 HydrophobicContact CD1-CD2 3.95Å; F206-W208 AromaticContact CD1-CE2 3.79Å; F206-W208 HydrophobicContact CD1-CG 4.12Å; F206-W208 HydrophobicContact CD1-CZ2 4.23Å; F206-W208 AromaticContact CD1-NE1 3.88Å; F206-W208 AromaticContact CE1-CD2 3.69Å; F206-W208 HydrophobicContact CE1-CD2 3.69Å; F206-W208 AromaticContact CE1-CE2 3.9Å; F206-W208 AromaticContact CE1-CE3 3.82Å; F206-W208 HydrophobicContact CE1-CE3 3.82Å; F206-W208 HydrophobicContact CE1-CG 4.11Å; F206-W208 HydrophobicContact CE1-CH2 4.34Å; F206-W208 HydrophobicContact CE1-CZ2 4.22Å; F206-W208 HydrophobicContact CE1-CZ3 4.16Å; W208-L269 WeakPolarHBondContact O-CB 3.44Å; W208-P270 PolarHBondContact N-O 2.83Å; W208-D272 PolarHBondContact NE1-OD2 2.86Å; W208-P294 HydrophobicContact CH2-CB 3.97Å; W208-P294 HydrophobicContact CH2-CG 4.33Å; W208-P294 HydrophobicContact CZ2-CB 4.18Å; W208-P294 HydrophobicContact CZ2-CG 4.34Å
209	D	90.1	Very high	94.2	Very high	30 Å²	30	47.5 Å²	47.5	16%	0.16	25%	0.249	C	C	.	.			trans	-153.1	123.5	179.8	-168.6	-11.3	0	0	0	108	E207 E211 P212 L269 V296 G297 V298	E207-D209 PolarHBondContact O-N 3.36Å; D209-E211 VanDerWaalsContact C-N 3.29Å; D209-E211 PolarHBondContact OD1-N 2.96Å; D209-P212 HydrophobicContact CB-CB 4.25Å; D209-P212 WeakPolarHBondContact O-CD 3.23Å; D209-P212 WeakPolarHBondContact OD2-CA 3.2Å; D209-L269 HydrophobicContact CB-CD1 3.93Å; D209-V296 CarbonylContact O-C 3.21Å; D209-V296 WeakPolarHBondContact O-CG1 2.66Å; D209-V296 VanDerWaalsContact O-O 3.1Å; D209-G297 WeakPolarHBondContact O-CA 3.33Å; D209-G297 PolarHBondContact O-N 3.46Å; D209-V298 HydrophobicContact CB-CG2 4.38Å
210	L	86.8	Confident	94	Very high	39 Å²	39	50.4 Å²	50.4	20%	0.204	26%	0.264	C	S	.	.	S	Bend	trans	-80.8	-16.9	180	-60.9	173.4	0	0	0	112.1	K118 F135 P212	K118-L210 HydrophobicContact CD-CD1 4.21Å; F135-L210 HydrophobicContact CD1-CD1 3.7Å; F135-L210 HydrophobicContact CD1-CD2 4.43Å; F135-L210 HydrophobicContact CE1-CD1 3.24Å; F135-L210 HydrophobicContact CZ-CD1 3.82Å; L210-P212 VanDerWaalsContact C-CD 3.42Å
211	E	88.4	Confident	93.8	Very high	136 Å²	136	53.9 Å²	53.9	64%	0.636	29%	0.288	S	S	*	.	S	Bend	trans	-130.3	57.4	-179.9	-68.2	170.1	-162.2	0	0	108.9	K118 D209	K118-E211 WeakPolarHBondContact CE-OE1 3.36Å; K118-E211 IonicContact NZ-OE1 3Å; K118-E211 PolarHBondContact NZ-OE1 3.26Å; D209-E211 VanDerWaalsContact C-N 3.29Å; D209-E211 PolarHBondContact OD1-N 2.96Å
212	P	90.3	Very high	93.3	Very high	29 Å²	29	60.4 Å²	60.4	19%	0.188	32%	0.318	C	S	.	.			trans	-63.3	150.3	-174.5	30.8	-36.1	0	0	0	110.1	P181 D209 L210 V296 V298	P181-P212 HydrophobicContact CB-CB 4.18Å; D209-P212 HydrophobicContact CB-CB 4.25Å; D209-P212 WeakPolarHBondContact O-CD 3.23Å; D209-P212 WeakPolarHBondContact OD2-CA 3.2Å; L210-P212 VanDerWaalsContact C-CD 3.42Å; P212-V296 HydrophobicContact CG-CG1 3.81Å; P212-V298 HydrophobicContact CB-CG2 3.67Å
213	P	91.9	Very high	91.8	Very high	62 Å²	62	63.3 Å²	63.3	40%	0.403	34%	0.339	S	S	.	.			trans	-58.6	151	177	24.9	-32.9	0	0	0	110.5	P181 N215	P181-P213 WeakPolarHBondContact CB-O 3.45Å; P181-P213 HydrophobicContact CG-CG 4.2Å; P181-P213 WeakPolarHBondContact CG-O 3.19Å; P213-N215 VanDerWaalsContact C-N 3.3Å; P213-N215 PolarHBondContact O-N 3.37Å
214	E	89.3	Confident	89.7	Confident	190 Å²	190	68.1 Å²	68.1	89%	0.888	37%	0.373	S	S	*	.	S	Bend	trans	-74.7	-23.7	179.4	-64.8	-176.4	167.3	0	0	112.9
215	N	91.9	Very high	87.5	Confident	127 Å²	127	75.3 Å²	75.3	68%	0.679	41%	0.411	S	S	*	.	S	Bend	trans	-101.7	141.6	-170.6	-64.4	-50	0	0	0	112.3	P213	P213-N215 VanDerWaalsContact C-N 3.3Å; P213-N215 PolarHBondContact O-N 3.37Å
216	I	94.7	Very high	85	Confident	103 Å²	103	82.3 Å²	82.3	53%	0.528	45%	0.445	S	S	.	.			trans	-67.9	135.5	165.1	-62.3	173.4	0	0	0	108.5	V178 R179 V180	V178-I216 HydrophobicContact CG1-CG2 4.01Å; R179-I216 WeakPolarHBondContact O-CA 3.25Å; R179-I216 WeakPolarHBondContact O-CG2 3.44Å; V180-I216 HydrophobicContact CG1-CD1 4.25Å; V180-I216 HydrophobicContact CG1-CG1 4.24Å; V180-I216 HydrophobicContact CG2-CG1 4.46Å; V180-I216 HydrophobicContact CG2-CG2 4.19Å
217	S	95.4	Very high	82.7	Confident	42 Å²	42	90.9 Å²	90.9	29%	0.294	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	147.1	174.6	52.2	0	0	0	0	111.7	V178 R179	V178-S217 CarbonylContact C-O 3.59Å; V178-S217 WeakPolarHBondContact CA-O 3.17Å; R179-S217 WeakPolarHBondContact CB-OG 3.31Å; R179-S217 PolarHBondContact N-O 3.11Å; R179-S217 PolarHBondContact O-N 2.96Å; R179-S217 VanDerWaalsContact O-N 3.11Å
218	V	95.9	Very high	80.3	Confident	62 Å²	62	93.1 Å²	93.1	38%	0.376	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	121.6	177.2	-176.3	0	0	0	0	108	I168 T177 V178	I168-V218 HydrophobicContact CD1-CG1 4.03Å; T177-V218 WeakPolarHBondContact O-CA 3.45Å; V178-V218 HydrophobicContact CG1-CG2 4.16Å; V178-V218 HydrophobicContact CG2-CG1 4.27Å; V178-V218 HydrophobicContact CG2-CG2 4.17Å
219	N	95.9	Very high	78	Confident	84 Å²	84	96.6 Å²	96.6	45%	0.449	55%	0.552	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-124.9	133.7	-179	-66	73.1	0	0	0	109.2	A176 T177	A176-N219 CarbonylContact C-O 3.53Å; A176-N219 WeakPolarHBondContact CA-O 3.14Å; T177-N219 PolarHBondContact N-O 3.44Å; T177-N219 PolarHBondContact O-N 2.95Å
220	I	94.5	Very high	75.9	Confident	82 Å²	82	104.2 Å²	104.2	42%	0.421	59%	0.587	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-111.9	118.9	173	-59.7	175	0	0	0	107	A174 T175 A176	A174-I220 HydrophobicContact CB-CG2 4.26Å; T175-I220 WeakPolarHBondContact O-CA 3.47Å; A176-I220 HydrophobicContact CB-CG1 4.09Å
221	S	93	Very high	74.1	Confident	72 Å²	72	110.2 Å²	110.2	50%	0.503	62%	0.619	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-111.5	128.1	177.6	-58.7	0	0	0	0	108.8	A174 T175	A174-S221 CarbonylContact C-O 3.52Å; A174-S221 VanDerWaalsContact CA-O 3.27Å; A174-S221 WeakPolarHBondContact CA-O 3.39Å; T175-S221 PolarHBondContact N-O 2.88Å; T175-S221 PolarHBondContact O-N 2.98Å
222	E	87.8	Confident	72.3	Confident	139 Å²	139	112.7 Å²	112.7	65%	0.65	63%	0.631	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-85.2	131.6	170	-60.2	-176.7	162.3	0	0	107.4	A174 S224	A174-E222 HydrophobicContact CB-CG 4.17Å; E222-S224 PolarHBondContact O-N 2.81Å
223	S	66.9	Low	70.2	Confident	64 Å²	64	119 Å²	119	45%	0.448	66%	0.663	S	S	.	*			trans	-67.8	100.5	173	57.4	0	0	0	0	107.1	L173 D225	L173-S223 PolarHBondContact O-N 3.29Å; L173-S223 PolarHBondContact O-OG 3.41Å; S223-D225 PolarHBondContact O-N 2.9Å
224	S	53.5	Low	68.3	Low	102 Å²	102	125.6 Å²	125.6	71%	0.713	69%	0.689	S	S	*	*			trans	-72	117.3	173.6	-170.6	0	0	0	0	108.1	E222 E226	E222-S224 PolarHBondContact O-N 2.81Å; S224-E226 VanDerWaalsContact C-N 3.28Å; S224-E226 PolarHBondContact O-N 2.94Å
225	D	52.4	Low	66.1	Low	150 Å²	150	125.9 Å²	125.9	80%	0.802	69%	0.69	S	S	*	*			trans	-66.1	85.3	171.2	-136.3	4.7	0	0	0	107.6	S223 E227	S223-D225 PolarHBondContact O-N 2.9Å; D225-E227 PolarHBondContact O-N 3.46Å
226	E	45.5	Very low	63.8	Low	183 Å²	183	123.5 Å²	123.5	86%	0.855	70%	0.695	S	S	*	*			trans	-82.9	66	165.2	-75.2	-166.5	178.1	0	0	109.1	S224	S224-E226 VanDerWaalsContact C-N 3.28Å; S224-E226 PolarHBondContact O-N 2.94Å
227	E	47.7	Very low	61.4	Low	181 Å²	181	124 Å²	124	85%	0.846	71%	0.706	S	S	*	*			trans	-136.2	113.2	158.2	-78.8	-146.5	-174.4	0	0	108.7	D225	D225-E227 PolarHBondContact O-N 3.46Å
228	G	43	Very low	58.9	Low	76 Å²	76	130 Å²	130	78%	0.784	73%	0.734	S	S	*	*			trans	163	7.1	176.7	0	0	0	0	0	117.6	E230	G228-E230 PolarHBondContact O-N 2.84Å
229	G	42.9	Very low	56.5	Low	75 Å²	75	132.4 Å²	132.4	77%	0.773	75%	0.754	S	S	*	*			trans	-83.4	78.6	170.5	0	0	0	0	0	111.5	D231	G229-D231 PolarHBondContact O-N 2.86Å
230	E	45.2	Very low	53.9	Low	191 Å²	191	131.4 Å²	131.4	89%	0.893	76%	0.763	S	S	*	*			trans	-81.6	86.3	160.2	-69.8	-179.2	175.9	0	0	107.5	G228	G228-E230 PolarHBondContact O-N 2.84Å
231	D	50.4	Low	51.4	Low	164 Å²	164	135.3 Å²	135.3	88%	0.877	79%	0.785	S	S	*	*			trans	-84.4	123.3	168.5	-79.2	-29.7	0	0	0	109.8	G229	G229-D231 PolarHBondContact O-N 2.86Å
232	E	50.2	Low	49.2	Very low	189 Å²	189	136.6 Å²	136.6	88%	0.883	79%	0.794	S	S	*	*			trans	-42.7	137	-175	-61.2	171	163.8	0	0	116.7
233	D	47.1	Very low	47.3	Very low	162 Å²	162	135.3 Å²	135.3	87%	0.866	80%	0.795	S	S	*	*			trans	-58.6	131.9	165.9	-57.3	-63.3	0	0	0	112.3
234	E	50.4	Low	46.3	Very low	200 Å²	200	139.7 Å²	139.7	94%	0.935	81%	0.809	S	S	*	*			trans	-159.5	107.2	138.8	-87.5	-142.2	157.9	0	0	110.8
235	E	43.9	Very low	45.9	Very low	196 Å²	196	142.3 Å²	142.3	92%	0.916	81%	0.81	S	S	*	*			trans	-76.1	139.6	165.8	-72.2	-166.7	158	0	0	111.6
236	G	43.1	Very low	45.4	Very low	77 Å²	77	141.3 Å²	141.3	79%	0.794	81%	0.809	S	S	*	*			trans	-156.3	105.1	166	0	0	0	0	0	112.4
237	P	43.7	Very low	45.3	Very low	114 Å²	114	138.2 Å²	138.2	74%	0.74	81%	0.808	S	S	*	*			trans	-104.3	147.6	-173.4	36.9	-30.3	0	0	0	113.6
238	N	44.6	Very low	45	Very low	166 Å²	166	135.5 Å²	135.5	89%	0.888	81%	0.806	S	S	*	*			trans	167.7	148.9	155.9	-98.7	-25.2	0	0	0	108.4
239	S	44.5	Very low	45	Very low	114 Å²	114	141.8 Å²	141.8	80%	0.797	81%	0.812	S	S	*	*			cis	-179.5	148.4	0.7	177.1	0	0	0	0	106.3
240	G	42.2	Very low	44.8	Very low	63 Å²	63	145.7 Å²	145.7	65%	0.649	82%	0.815	S	S	*	*			trans	124.3	96.9	150.2	0	0	0	0	0	118.9
241	N	42.4	Very low	44.7	Very low	163 Å²	163	145.7 Å²	145.7	87%	0.872	82%	0.815	S	S	*	*				27.4	145.7	126.7	-57.8	-6.3	0	0	0	119.3
242	S	45.1	Very low	44.2	Very low	99 Å²	99	145.7 Å²	145.7	69%	0.692	82%	0.815	S	S	*	*			cis	-178.2	143	23.9	-134.4	0	0	0	0	110
243	V	48.1	Very low	44	Very low	112 Å²	112	145.6 Å²	145.6	68%	0.679	81%	0.812	S	S	*	*				69.7	113.8	125.4	177.6	0	0	0	0	122.4
244	E	47.1	Very low	43.5	Very low	156 Å²	156	145.9 Å²	145.9	73%	0.729	81%	0.808	S	S	*	*			trans	81.7	121.9	133.5	-72.9	174.2	168.6	0	0	126.1
245	Q	44.4	Very low	43.1	Very low	157 Å²	157	142.1 Å²	142.1	73%	0.734	80%	0.804	S	S	*	*			trans	51.2	117.8	131.8	-64.6	179.6	28.9	0	0	120.7
246	T	41.8	Very low	42.9	Very low	130 Å²	130	139.2 Å²	139.2	80%	0.798	79%	0.79	S	S	*	*				176.8	126.2	108.1	29.9	0	0	0	0	112.8
247	S	42.8	Very low	42.8	Very low	118 Å²	118	142.5 Å²	142.5	83%	0.825	79%	0.789	S	S	*	*			trans	41.9	142.9	146.2	-53.6	0	0	0	0	124.7
248	P	41.9	Very low	42.9	Very low	124 Å²	124	143.5 Å²	143.5	81%	0.805	79%	0.787	S	S	*	*			trans	-99.2	154.1	-168.2	39.3	-33.2	0	0	0	114.7
249	K	42.1	Very low	42.9	Very low	208 Å²	208	144.1 Å²	144.1	90%	0.904	79%	0.785	S	S	*	*			trans	-160.2	134.5	154.5	-104.3	175.4	-172.2	-177.9	0	110.6
250	N	39.5	Very low	42.9	Very low	156 Å²	156	145.5 Å²	145.5	83%	0.834	78%	0.783	S	S	*	*			trans	-9.6	133.3	163.9	-91.3	-9.2	0	0	0	117.1
251	E	42.4	Very low	42.3	Very low	191 Å²	191	145.3 Å²	145.3	89%	0.893	78%	0.781	S	S	*	*				176.5	143.4	120.7	-94.1	163.6	-155.7	0	0	110.8
252	N	40.9	Very low	42.1	Very low	165 Å²	165	147.5 Å²	147.5	88%	0.882	78%	0.783	S	S	*	*			trans	-45.5	129.4	179.9	-63.5	-31.8	0	0	0	113.7
253	K	45	Very low	42	Very low	187 Å²	187	152.8 Å²	152.8	81%	0.813	79%	0.793	S	S	*	*			trans	-167.8	111.3	151.8	-113.8	168.1	-177.4	178.7	0	111.7	S255	K253-S255 PolarHBondContact O-N 2.87Å
254	E	38.6	Very low	41.6	Very low	168 Å²	168	151.8 Å²	151.8	79%	0.785	79%	0.791	S	S	*	*			trans	25.6	95.6	136.1	-63.7	173.1	162.2	0	0	116.6
255	S	41.5	Very low	41.2	Very low	121 Å²	121	152.1 Å²	152.1	85%	0.846	80%	0.797	S	S	*	*			trans	-96.7	88.8	149.6	57.9	0	0	0	0	107.7	K253 D257	K253-S255 PolarHBondContact O-N 2.87Å; S255-D257 PolarHBondContact O-N 2.83Å
256	H	39	Very low	41.2	Very low	135 Å²	135	153.2 Å²	153.2	63%	0.625	80%	0.802	S	S	*	*			trans	-59.5	103.9	163.8	-115.2	-76.5	0	0	0	108.5	L258	H256-L258 HydrophobicContact CB-CD1 3.94Å; H256-L258 HydrophobicContact CB-CG 3.91Å; H256-L258 VanDerWaalsContact ND1-CD2 3.31Å; H256-L258 WeakPolarHBondContact ND1-CD2 2.98Å; H256-L258 WeakPolarHBondContact ND1-CG 3.42Å; H256-L258 PolarHBondContact O-N 2.87Å
257	D	41.4	Very low	41.9	Very low	145 Å²	145	151.5 Å²	151.5	78%	0.775	79%	0.785	S	S	*	*			trans	-83.4	100.1	162.3	-158.9	-3.5	0	0	0	107.3	S255	S255-D257 PolarHBondContact O-N 2.83Å
258	L	45.1	Very low	43.5	Very low	135 Å²	135	157.1 Å²	157.1	71%	0.707	79%	0.788	S	S	*	*			trans	-102	47.8	-171.2	-78.3	166.2	0	0	0	110.7	H256	H256-L258 HydrophobicContact CB-CD1 3.94Å; H256-L258 HydrophobicContact CB-CG 3.91Å; H256-L258 VanDerWaalsContact ND1-CD2 3.31Å; H256-L258 WeakPolarHBondContact ND1-CD2 2.98Å; H256-L258 WeakPolarHBondContact ND1-CG 3.42Å; H256-L258 PolarHBondContact O-N 2.87Å
259	E	44.8	Very low	45.7	Very low	179 Å²	179	153.3 Å²	153.3	84%	0.836	76%	0.761	S	S	*	*			trans	-126.1	17	174.3	-68.8	-149.3	155.9	0	0	115.1	G261	E259-G261 PolarHBondContact O-N 3.05Å
260	L	45.2	Very low	48	Very low	144 Å²	144	143.8 Å²	143.8	75%	0.754	72%	0.72	S	S	*	*			trans	-83.9	97.6	168	-79.7	158.9	0	0	0	110.6	K262	L260-K262 PolarHBondContact O-N 3.22Å; L260-K262 VanDerWaalsContact O-N 3.16Å
261	G	29.6	Very low	50.4	Low	59 Å²	59	140.4 Å²	140.4	61%	0.608	70%	0.701	S	S	*	*			trans	-45.7	119.8	165.8	0	0	0	0	0	110.8	E259 K263	E259-G261 PolarHBondContact O-N 3.05Å; G261-K263 PolarHBondContact O-N 2.62Å
262	K	37.5	Very low	52.8	Low	209 Å²	209	131.6 Å²	131.6	91%	0.909	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.3	33.6	-173.3	-67.4	176	174.2	176.1	0	115.1	L260	L260-K262 PolarHBondContact O-N 3.22Å; L260-K262 VanDerWaalsContact O-N 3.16Å
263	K	42.8	Very low	55.3	Low	209 Å²	209	128.8 Å²	128.8	91%	0.909	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-133.5	-0.4	-176.1	-68.9	-172.3	179.3	178.4	0	116.3	G261	G261-K263 PolarHBondContact O-N 2.62Å
264	S	40	Very low	57.6	Low	92 Å²	92	121.2 Å²	121.2	64%	0.643	61%	0.61	S	S	*	*			trans	-119.8	15.4	179.9	80.1	0	0	0	0	116	Q266	S264-Q266 PolarHBondContact O-N 2.98Å
265	L	38.8	Very low	60.2	Low	163 Å²	163	113.7 Å²	113.7	85%	0.853	58%	0.575	S	S	*	*			trans	-81.1	22.5	172.8	-90.3	165.2	0	0	0	113.7	Q267	L265-Q267 PolarHBondContact O-N 3.48Å
266	Q	45.6	Very low	62.8	Low	179 Å²	179	110.4 Å²	110.4	84%	0.836	55%	0.551	S	S	*	*	S	Bend	trans	-72.6	88.2	147.3	-83.6	179.2	-6.6	0	0	105.7	S264 R268	S264-Q266 PolarHBondContact O-N 2.98Å; Q266-R268 PolarHBondContact O-N 3.43Å
267	Q	56.4	Low	65.6	Low	94 Å²	94	106.6 Å²	106.6	44%	0.439	54%	0.535	S	S	.	.			trans	-48.5	107.5	174	-163.7	169.7	-4.7	0	0	107.3	V117 L265 L269	V117-Q267 HydrophobicContact CG1-CB 4.25Å; V117-Q267 HydrophobicContact CG1-CG 4.27Å; V117-Q267 HydrophobicContact CG2-CG 4Å; L265-Q267 PolarHBondContact O-N 3.48Å; Q267-L269 PolarHBondContact O-N 2.9Å; Q267-L269 VanDerWaalsContact O-N 3.15Å
268	R	75.4	Confident	68.2	Low	236 Å²	236	106.5 Å²	106.5	89%	0.891	52%	0.524	S	S	*	.	P	Polyproline II helix	trans	-57.3	121.6	-169.2	-82.9	-179.3	167.4	166.8	-3.4	109	Q266	Q266-R268 PolarHBondContact O-N 3.43Å
269	L	87.4	Confident	70.7	Confident	44 Å²	44	107.6 Å²	107.6	23%	0.23	52%	0.519	C	S	.	.	P	Polyproline II helix	trans	-60.3	147.4	173.1	-66.5	173.3	0	0	0	109.8	L114 V117 E207 W208 D209 Q267	L114-L269 HydrophobicContact CD2-CD2 4.11Å; V117-L269 HydrophobicContact CG1-CD2 4.42Å; E207-L269 HydrophobicContact CG-CB 3.87Å; E207-L269 HydrophobicContact CG-CD1 4.26Å; W208-L269 WeakPolarHBondContact O-CB 3.44Å; D209-L269 HydrophobicContact CB-CD1 3.93Å; Q267-L269 PolarHBondContact O-N 2.9Å; Q267-L269 VanDerWaalsContact O-N 3.15Å
270	P	90.4	Very high	73.2	Confident	9 Å²	9	101.8 Å²	101.8	6%	0.058	49%	0.49	C	S	.	.	P	Polyproline II helix	trans	-60	141.9	175	-26	37.9	0	0	0	112	Q110 Q113 L114 W208	Q110-P270 HydrophobicContact CB-CB 3.92Å; Q110-P270 HydrophobicContact CG-CB 3.96Å; Q113-P270 HydrophobicContact CB-CG 3.62Å; L114-P270 HydrophobicContact CD1-CG 4.47Å; L114-P270 HydrophobicContact CD2-CG 4.48Å; L114-P270 HydrophobicContact CG-CG 3.92Å; W208-P270 PolarHBondContact N-O 2.83Å
271	I	91.5	Very high	75.6	Confident	85 Å²	85	98.2 Å²	98.2	44%	0.436	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	132.1	-177	-61	173.4	0	0	0	109.8	Q110 Y205 F206 E207	Q110-I271 PolarHBondContact NE2-O 2.93Å; Y205-I271 HydrophobicContact CD1-CG2 4.02Å; Y205-I271 HydrophobicContact CG-CG2 4.34Å; F206-I271 CarbonylContact O-C 3.56Å; F206-I271 WeakPolarHBondContact O-CA 3.25Å; E207-I271 HydrophobicContact CB-CG1 4.11Å; E207-I271 HydrophobicContact CG-CG1 4Å
272	D	92	Very high	78.9	Confident	5 Å²	5	95.4 Å²	95.4	3%	0.027	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	138.3	164.8	-78.3	-48	0	0	0	111.4	H106 Q110 L141 Y205 F206 W208 L274	H106-D272 IonicContact CE1-OD1 2.68Å; H106-D272 PolarHBondContact CE1-OD1 3.43Å; H106-D272 IonicContact ND1-OD1 3.89Å; H106-D272 PolarHBondContact ND1-OD1 2.93Å; H106-D272 VanDerWaalsContact ND1-OD1 3.11Å; Q110-D272 PolarHBondContact NE2-OD1 3.43Å; Q110-D272 VanDerWaalsContact OE1-CG 3.25Å; Q110-D272 PolarHBondContact OE1-OD1 3.31Å; Q110-D272 PolarHBondContact OE1-OD2 3.12Å; L141-D272 HydrophobicContact CD2-CB 4.29Å; Y205-D272 CarbonylContact C-O 3.48Å; Y205-D272 WeakPolarHBondContact CA-O 3.35Å; Y205-D272 WeakPolarHBondContact CB-O 3.2Å; F206-D272 HydrophobicContact CB-CB 4.33Å; F206-D272 PolarHBondContact N-O 2.86Å; F206-D272 PolarHBondContact O-N 3.2Å; W208-D272 PolarHBondContact NE1-OD2 2.86Å; D272-L274 HydrophobicContact CB-CD2 4.05Å
273	E	92.7	Very high	81.7	Confident	107 Å²	107	88.1 Å²	88.1	50%	0.5	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	109.4	164.1	-175.8	170.6	83.6	0	0	109.3	Y205 P276	Y205-E273 HydrophobicContact CD1-CB 3.87Å; Y205-E273 HydrophobicContact CD1-CG 4.05Å; Y205-E273 HydrophobicContact CE1-CB 3.72Å; Y205-E273 HydrophobicContact CE1-CG 3.56Å; Y205-E273 WeakPolarHBondContact CE1-OE2 3.47Å; Y205-E273 PolarHBondContact OH-OE2 3.38Å; E273-P276 HydrophobicContact CG-CG 4.42Å; E273-P276 WeakPolarHBondContact OE1-CG 3.45Å
274	L	93.2	Very high	84.3	Confident	27 Å²	27	81.7 Å²	81.7	14%	0.141	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	-39.6	179.1	-54.4	-176.3	0	0	0	111.4	L141 L204 F206 D272 H291 Y299	L141-L274 HydrophobicContact CD1-CD2 3.71Å; L141-L274 HydrophobicContact CD2-CD2 4.34Å; L141-L274 HydrophobicContact CG-CD2 4.27Å; L204-L274 HydrophobicContact CB-CB 4.38Å; L204-L274 HydrophobicContact CD2-CB 4.35Å; L204-L274 HydrophobicContact CD2-CD1 4.02Å; L204-L274 HydrophobicContact CG-CB 4.24Å; L204-L274 HydrophobicContact CG-CD1 4.06Å; L204-L274 WeakPolarHBondContact O-CA 3.43Å; L204-L274 WeakPolarHBondContact O-CB 3.37Å; L204-L274 PolarHBondContact O-N 2.84Å; F206-L274 HydrophobicContact CB-CD1 3.92Å; F206-L274 HydrophobicContact CB-CD2 4.23Å; F206-L274 HydrophobicContact CB-CG 4.13Å; D272-L274 HydrophobicContact CB-CD2 4.05Å; L274-H291 VanDerWaalsContact CD1-CE1 3.41Å; L274-H291 WeakPolarHBondContact CD1-CE1 3.28Å; L274-Y299 HydrophobicContact CD1-CD1 3.97Å; L274-Y299 HydrophobicContact CD1-CE1 3.53Å
275	I	94.8	Very high	87	Confident	11 Å²	11	79.6 Å²	79.6	6%	0.056	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	114.7	177.5	-56.6	174.3	0	0	0	107.5	A144 V146 W191 F202 G203 L204	A144-I275 HydrophobicContact CB-CD1 3.76Å; A144-I275 HydrophobicContact CB-CG1 3.83Å; V146-I275 HydrophobicContact CG2-CD1 3.78Å; W191-I275 HydrophobicContact CH2-CD1 4.12Å; W191-I275 HydrophobicContact CZ2-CD1 3.63Å; F202-I275 HydrophobicContact CE1-CD1 4.04Å; G203-I275 CarbonylContact C-O 3.52Å; G203-I275 WeakPolarHBondContact CA-O 3.1Å; L204-I275 HydrophobicContact CB-CB 3.89Å; L204-I275 HydrophobicContact CB-CD1 3.98Å; L204-I275 HydrophobicContact CB-CG1 4Å; L204-I275 HydrophobicContact CD2-CD1 4.11Å; L204-I275 PolarHBondContact N-O 2.64Å; L204-I275 PolarHBondContact O-N 3.01Å
276	P	95.8	Very high	89.8	Confident	52 Å²	52	71.8 Å²	71.8	34%	0.338	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	150.6	173.9	-16.7	26.9	0	0	0	111.4	E273 Y278	E273-P276 HydrophobicContact CG-CG 4.42Å; E273-P276 WeakPolarHBondContact OE1-CG 3.45Å; P276-Y278 HydrophobicContact CB-CD2 4.17Å; P276-Y278 HydrophobicContact CB-CE2 3.74Å; P276-Y278 HydrophobicContact CG-CE2 4.16Å; P276-Y278 PolarHBondContact O-N 3.38Å; P276-Y278 VanDerWaalsContact O-N 3.11Å
277	I	96.5	Very high	92.3	Very high	54 Å²	54	64.9 Å²	64.9	28%	0.277	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	112.7	178.7	-64.4	172.3	0	0	0	109.8	F202 Y205 K302 D304	F202-I277 WeakPolarHBondContact O-CA 3.41Å; Y205-I277 HydrophobicContact CE2-CD1 4.44Å; Y205-I277 HydrophobicContact CE2-CG1 4.4Å; I277-K302 HydrophobicContact CD1-CB 4.17Å; I277-K302 HydrophobicContact CD1-CD 4.06Å; I277-D304 HydrophobicContact CG2-CB 4.05Å
278	Y	96.1	Very high	94.2	Very high	143 Å²	143	60.5 Å²	60.5	56%	0.561	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.4	151	170.1	-71.5	-68.2	0	0	0	111	F202 P276 R280	F202-Y278 PolarHBondContact N-O 3.5Å; F202-Y278 PolarHBondContact O-N 3.31Å; P276-Y278 HydrophobicContact CB-CD2 4.17Å; P276-Y278 HydrophobicContact CB-CE2 3.74Å; P276-Y278 HydrophobicContact CG-CE2 4.16Å; P276-Y278 PolarHBondContact O-N 3.38Å; P276-Y278 VanDerWaalsContact O-N 3.11Å; Y278-R280 PolarHBondContact O-N 3.43Å
279	R	97.9	Very high	95.1	Very high	159 Å²	159	49.2 Å²	49.2	60%	0.6	23%	0.232	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-67.5	125.8	175.4	-66.9	176.2	66.7	-173.1	-3.3	109.9	D199 F307	D199-R279 VanDerWaalsContact CG-NH2 3.28Å; D199-R279 IonicContact OD1-NH2 2.67Å; D199-R279 PolarHBondContact OD1-NH2 2.97Å; D199-R279 VanDerWaalsContact OD1-NH2 3.14Å; D199-R279 IonicContact OD2-CZ 2.71Å; D199-R279 IonicContact OD2-NE 2.77Å; D199-R279 PolarHBondContact OD2-NE 3.2Å; D199-R279 IonicContact OD2-NH2 3.34Å; D199-R279 PolarHBondContact OD2-NH2 2.87Å; R279-F307 HydrophobicContact CG-CE1 4.08Å; R279-F307 HydrophobicContact CG-CZ 4.13Å
280	R	96.9	Very high	95.5	Very high	57 Å²	57	48.8 Å²	48.8	22%	0.215	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	130.9	-179	-53.5	-53.1	179.7	169.9	0	109.7	F193 D199 L200 F202 Y278 C282 Y287	F193-R280 HydrophobicContact CZ-CG 4.37Å; D199-R280 CarbonylContact C-O 3.54Å; D199-R280 WeakPolarHBondContact CA-O 3.32Å; D199-R280 VanDerWaalsContact CB-O 3.25Å; D199-R280 WeakPolarHBondContact CB-O 3.46Å; L200-R280 PolarHBondContact N-O 3.17Å; L200-R280 PolarHBondContact O-N 3.4Å; F202-R280 HydrophobicContact CB-CG 3.84Å; Y278-R280 PolarHBondContact O-N 3.43Å; R280-C282 HydrophobicContact CB-CB 4.47Å; R280-C282 PolarHBondContact O-N 3.06Å; R280-C282 PolarHBondContact O-SG 3.44Å; R280-C282 VanDerWaalsContact O-SG 3.38Å; R280-Y287 HydrophobicContact CB-CD1 4.05Å; R280-Y287 HydrophobicContact CB-CD2 4.36Å; R280-Y287 HydrophobicContact CB-CE1 3.73Å; R280-Y287 HydrophobicContact CB-CE2 4.07Å; R280-Y287 HydrophobicContact CB-CG 4.34Å; R280-Y287 HydrophobicContact CG-CD1 4.11Å; R280-Y287 HydrophobicContact CG-CE1 3.92Å
281	D	97.3	Very high	95.6	Very high	68 Å²	68	48.5 Å²	48.5	36%	0.364	23%	0.229	S	C	.	.			trans	-72.1	46.7	174.6	-64.8	-47.7	0	0	0	112.3	H283 T284 Y287	D281-H283 PolarHBondContact O-N 3.04Å; D281-H283 IonicContact OD1-CE1 3.6Å; D281-T284 HydrophobicContact CB-CG2 4.35Å; D281-T284 PolarHBondContact O-N 3.05Å; D281-T284 PolarHBondContact O-OG1 3.34Å; D281-Y287 PolarHBondContact N-OH 3.41Å
282	C	97.4	Very high	95.6	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	5	-176.5	57.7	0	0	0	0	114.3	F193 A194 T195 R280 E285 Y287	F193-C282 HydrophobicContact CD2-CB 3.85Å; F193-C282 HydrophobicContact CE2-CB 3.63Å; A194-C282 CarbonylContact C-O 3.47Å; A194-C282 VanDerWaalsContact CA-O 3.22Å; A194-C282 WeakPolarHBondContact CA-O 3.47Å; A194-C282 WeakPolarHBondContact CB-O 3.21Å; T195-C282 PolarHBondContact N-O 2.87Å; T195-C282 PolarHBondContact OG1-O 3.4Å; T195-C282 PolarHBondContact OG1-SG 3.12Å; R280-C282 HydrophobicContact CB-CB 4.47Å; R280-C282 PolarHBondContact O-N 3.06Å; R280-C282 PolarHBondContact O-SG 3.44Å; R280-C282 VanDerWaalsContact O-SG 3.38Å; C282-E285 CarbonylContact C-O 3.46Å; C282-E285 WeakPolarHBondContact CA-O 3.01Å; C282-Y287 HydrophobicContact CB-CD2 3.61Å; C282-Y287 HydrophobicContact CB-CE2 4.14Å; C282-Y287 HydrophobicContact CB-CG 4.32Å
283	H	97.7	Very high	95.6	Very high	57 Å²	57	47.8 Å²	47.8	26%	0.264	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-14.4	166.5	64.1	-75.8	0	0	0	112.9	I152 T195 D199 D281	I152-H283 VanDerWaalsContact CD1-C 3.49Å; I152-H283 VanDerWaalsContact CD1-O 3.24Å; I152-H283 WeakPolarHBondContact CD1-O 3.48Å; T195-H283 WeakPolarHBondContact O-CA 3.48Å; T195-H283 WeakPolarHBondContact OG1-CA 3.5Å; T195-H283 WeakPolarHBondContact OG1-CB 3.14Å; T195-H283 PolarHBondContact OG1-N 3.38Å; D199-H283 PolarHBondContact N-ND1 2.88Å; D281-H283 PolarHBondContact O-N 3.04Å; D281-H283 IonicContact OD1-CE1 3.6Å
284	T	97.6	Very high	95.4	Very high	73 Å²	73	42.7 Å²	42.7	45%	0.448	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-39.2	179.7	69.2	0	0	0	0	111.9	D281	D281-T284 HydrophobicContact CB-CG2 4.35Å; D281-T284 PolarHBondContact O-N 3.05Å; D281-T284 PolarHBondContact O-OG1 3.34Å
285	E	96.5	Very high	95.2	Very high	48 Å²	48	42.1 Å²	42.1	22%	0.224	20%	0.2	C	C	.	.	S	Bend	trans	-137.4	155.5	179.9	-62	-173.3	141.4	0	0	110.7	T148 K150 C282 Y287	T148-E285 VanDerWaalsContact CB-OE2 3.24Å; T148-E285 WeakPolarHBondContact CB-OE2 3.48Å; T148-E285 HydrophobicContact CG2-CB 4.49Å; T148-E285 PolarHBondContact OG1-OE2 3.5Å; K150-E285 VanDerWaalsContact CE-OE1 3.27Å; K150-E285 WeakPolarHBondContact CE-OE1 3.3Å; K150-E285 HydrophobicContact CG-CG 4.46Å; K150-E285 VanDerWaalsContact CG-OE1 3.27Å; K150-E285 WeakPolarHBondContact CG-OE1 3.22Å; C282-E285 CarbonylContact C-O 3.46Å; C282-E285 WeakPolarHBondContact CA-O 3.01Å; E285-Y287 PolarHBondContact O-N 2.88Å
286	V	97.6	Very high	95	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	120.2	171.9	-172.8	0	0	0	0	108.2	T148 R149 I152 F155 E192	T148-V286 CarbonylContact C-O 3.54Å; T148-V286 WeakPolarHBondContact CA-O 3.48Å; R149-V286 HydrophobicContact CB-CB 4.33Å; R149-V286 PolarHBondContact N-O 3.39Å; R149-V286 PolarHBondContact O-N 3.42Å; I152-V286 HydrophobicContact CB-CG2 4.1Å; I152-V286 HydrophobicContact CG1-CG2 4.32Å; F155-V286 HydrophobicContact CB-CG2 3.69Å; F155-V286 HydrophobicContact CD1-CG1 3.91Å; F155-V286 HydrophobicContact CD1-CG2 3.86Å; F155-V286 HydrophobicContact CD2-CG1 4.24Å; F155-V286 HydrophobicContact CE1-CG1 4.07Å; F155-V286 HydrophobicContact CE2-CG1 4.38Å; F155-V286 HydrophobicContact CG-CG1 4Å; F155-V286 HydrophobicContact CG-CG2 3.86Å; F155-V286 HydrophobicContact CZ-CG1 4.29Å; E192-V286 HydrophobicContact CB-CG1 4.21Å
287	Y	97.5	Very high	94.9	Very high	34 Å²	34	41.6 Å²	41.6	13%	0.133	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	129.8	173.1	-86.4	-109	0	0	0	109.3	T148 E192 F193 R280 D281 C282 E285	T148-Y287 HydrophobicContact CG2-CD1 4.13Å; T148-Y287 HydrophobicContact CG2-CD2 4.04Å; T148-Y287 HydrophobicContact CG2-CE1 4.01Å; T148-Y287 HydrophobicContact CG2-CE2 3.93Å; T148-Y287 HydrophobicContact CG2-CG 4.16Å; E192-Y287 CarbonylContact C-O 3.53Å; E192-Y287 VanDerWaalsContact CA-O 3.25Å; E192-Y287 WeakPolarHBondContact CA-O 3.43Å; F193-Y287 VanDerWaalsContact CE1-CB 3.49Å; F193-Y287 HydrophobicContact CE1-CG 4.47Å; F193-Y287 HydrophobicContact CE2-CG 4.28Å; F193-Y287 HydrophobicContact CZ-CD1 4.29Å; F193-Y287 AromaticContact CZ-CG 3.95Å; F193-Y287 HydrophobicContact CZ-CG 3.95Å; F193-Y287 PolarHBondContact N-O 3.03Å; F193-Y287 PolarHBondContact O-N 2.98Å; R280-Y287 HydrophobicContact CB-CD1 4.05Å; R280-Y287 HydrophobicContact CB-CD2 4.36Å; R280-Y287 HydrophobicContact CB-CE1 3.73Å; R280-Y287 HydrophobicContact CB-CE2 4.07Å; R280-Y287 HydrophobicContact CB-CG 4.34Å; R280-Y287 HydrophobicContact CG-CD1 4.11Å; R280-Y287 HydrophobicContact CG-CE1 3.92Å; D281-Y287 PolarHBondContact N-OH 3.41Å; C282-Y287 HydrophobicContact CB-CD2 3.61Å; C282-Y287 HydrophobicContact CB-CE2 4.14Å; C282-Y287 HydrophobicContact CB-CG 4.32Å; E285-Y287 PolarHBondContact O-N 2.88Å
288	C	96.2	Very high	94.9	Very high	1 Å²	1	39 Å²	39	1%	0.007	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	156.4	-177.1	-54.9	0	0	0	0	109.6	V146 W147 R149 W191 E192	V146-C288 WeakPolarHBondContact CA-O 3.48Å; V146-C288 WeakPolarHBondContact CG1-O 3.22Å; W147-C288 HydrophobicContact CD2-CB 3.94Å; W147-C288 HydrophobicContact CG-CB 4.13Å; W147-C288 HydrophobicContact CZ2-CB 3.8Å; W147-C288 PolarHBondContact N-O 3.01Å; W147-C288 VanDerWaalsContact NE1-CB 3.27Å; W147-C288 PolarHBondContact O-N 3.46Å; W147-C288 VanDerWaalsContact O-O 3.09Å; R149-C288 PolarHBondContact NE-SG 3.47Å; R149-C288 VanDerWaalsContact NE-SG 3.38Å; W191-C288 CarbonylContact O-C 3.55Å; W191-C288 VanDerWaalsContact O-CA 3.25Å; W191-C288 WeakPolarHBondContact O-CA 3.43Å; E192-C288 HydrophobicContact CG-CB 4.4Å
289	G	94.7	Very high	95	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.5	171.5	168.4	0	0	0	0	0	114	T145 W147 C190 W191	T145-G289 CarbonylContact O-C 3.55Å; T145-G289 WeakPolarHBondContact O-CA 3.38Å; W147-G289 VanDerWaalsContact CZ3-CA 3.5Å; C190-G289 VanDerWaalsContact CA-O 3.31Å; C190-G289 WeakPolarHBondContact CA-O 3.25Å; W191-G289 VanDerWaalsContact CE2-CA 3.42Å; W191-G289 VanDerWaalsContact CZ2-CA 3.47Å; W191-G289 PolarHBondContact N-O 3.37Å; W191-G289 PolarHBondContact O-N 3.14Å
290	T	94.7	Very high	95	Very high	34 Å²	34	25 Å²	25	21%	0.209	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	152.7	173.4	-172.3	0	0	0	0	111.5	T145 W147 I189 C190 W191	T145-T290 PolarHBondContact N-O 2.96Å; T145-T290 PolarHBondContact O-N 3.11Å; W147-T290 HydrophobicContact CH2-CG2 4.02Å; W147-T290 HydrophobicContact CZ3-CG2 3.94Å; I189-T290 CarbonylContact O-C 3.54Å; I189-T290 WeakPolarHBondContact O-CA 3.28Å; I189-T290 WeakPolarHBondContact O-CB 3.39Å; I189-T290 PolarHBondContact O-OG1 2.85Å; C190-T290 PolarHBondContact SG-OG1 2.92Å; C190-T290 VanDerWaalsContact SG-OG1 3.38Å; W191-T290 VanDerWaalsContact CZ3-C 3.45Å; W191-T290 VanDerWaalsContact CZ3-CA 3.49Å
291	H	93.6	Very high	95.1	Very high	4 Å²	4	22.3 Å²	22.3	2%	0.019	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	128.7	174.5	-175.9	-103.9	0	0	0	109.7	I142 A144 A188 I189 W191 L274 Y299	I142-H291 PolarHBondContact O-CD2 3.15Å; I142-H291 PolarHBondContact O-NE2 2.94Å; A144-H291 HydrophobicContact CB-CB 4.21Å; A188-H291 CarbonylContact C-O 3.58Å; A188-H291 VanDerWaalsContact CA-O 3.23Å; A188-H291 WeakPolarHBondContact CA-O 3.25Å; A188-H291 WeakPolarHBondContact CB-O 3.2Å; I189-H291 HydrophobicContact CG2-CB 4.05Å; I189-H291 PolarHBondContact N-O 3.05Å; I189-H291 PolarHBondContact O-N 2.98Å; W191-H291 HydrophobicContact CH2-CB 4.24Å; W191-H291 HydrophobicContact CZ3-CB 4Å; L274-H291 VanDerWaalsContact CD1-CE1 3.41Å; L274-H291 WeakPolarHBondContact CD1-CE1 3.28Å; H291-Y299 HydrophobicContact CB-CE1 4.23Å; H291-Y299 AromaticContact ND1-CE1 3.43Å; H291-Y299 WeakPolarHBondContact ND1-CE1 3.24Å; H291-Y299 AromaticContact ND1-CZ 3.54Å; H291-Y299 PolarHBondContact ND1-OH 3.2Å
292	Q	91.1	Very high	95.2	Very high	56 Å²	56	22.6 Å²	22.6	26%	0.262	12%	0.118	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	142.7	174.9	-169.6	170.8	11.4	0	0	109.4	E52 R187 P294 Y299	E52-Q292 PolarHBondContact OE2-NE2 3.17Å; R187-Q292 WeakPolarHBondContact O-CG 3.36Å; Q292-P294 VanDerWaalsContact O-CD 3.24Å; Q292-P294 WeakPolarHBondContact O-CD 3.29Å; Q292-Y299 PolarHBondContact O-OH 3.34Å
293	Y	91.6	Very high	95.2	Very high	18 Å²	18	22.7 Å²	22.7	7%	0.071	12%	0.119	C	C	.	.			trans	-64	119.6	178.5	-70	-1	0	0	0	109.7	L139 T182 G186 R187 I189 G295 Y299 Y321	L139-Y293 WeakPolarHBondContact CD1-O 2.94Å; T182-Y293 HydrophobicContact CG2-CD1 4.32Å; T182-Y293 HydrophobicContact CG2-CD2 4.05Å; T182-Y293 HydrophobicContact CG2-CE1 4.38Å; T182-Y293 HydrophobicContact CG2-CE2 4.15Å; T182-Y293 HydrophobicContact CG2-CG 4.14Å; G186-Y293 VanDerWaalsContact C-CE2 3.47Å; G186-Y293 VanDerWaalsContact O-CD2 3.32Å; G186-Y293 WeakPolarHBondContact O-CD2 3.42Å; G186-Y293 WeakPolarHBondContact O-CE2 3.37Å; R187-Y293 PolarHBondContact O-N 2.92Å; I189-Y293 HydrophobicContact CB-CE1 3.94Å; I189-Y293 VanDerWaalsContact N-CE1 3.33Å; Y293-G295 PolarHBondContact O-N 3Å; Y293-Y299 AromaticContact CD1-CE2 3.71Å; Y293-Y299 HydrophobicContact CD1-CE2 3.71Å; Y293-Y299 AromaticContact CE1-CE2 3.74Å; Y293-Y299 HydrophobicContact CE1-CE2 3.74Å; Y293-Y321 WeakPolarHBondContact OH-CB 3.3Å
294	P	89.1	Confident	95.2	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.006	11%	0.112	C	C	.	.			trans	-75.8	-17.6	174	31.8	-34	0	0	0	111.8	L139 L141 F206 W208 Q292	L139-P294 PolarHBondContact N-O 3.42Å; L141-P294 HydrophobicContact CD1-CB 3.49Å; L141-P294 VanDerWaalsContact CD1-CB 3.49Å; L141-P294 HydrophobicContact CD1-CG 3.76Å; F206-P294 HydrophobicContact CD1-CG 3.69Å; F206-P294 HydrophobicContact CD2-CG 4.18Å; F206-P294 HydrophobicContact CE1-CG 3.64Å; F206-P294 HydrophobicContact CE2-CG 4.13Å; F206-P294 HydrophobicContact CG-CG 3.95Å; F206-P294 HydrophobicContact CZ-CG 3.87Å; W208-P294 HydrophobicContact CH2-CB 3.97Å; W208-P294 HydrophobicContact CH2-CG 4.33Å; W208-P294 HydrophobicContact CZ2-CB 4.18Å; W208-P294 HydrophobicContact CZ2-CG 4.34Å; Q292-P294 VanDerWaalsContact O-CD 3.24Å; Q292-P294 WeakPolarHBondContact O-CD 3.29Å
295	G	89.2	Confident	95.2	Very high	15 Å²	15	17.7 Å²	17.7	16%	0.155	9%	0.091	C	C	.	.	S	Bend	trans	172.5	-159.1	-180	0	0	0	0	0	110.9	T182 Y293	T182-G295 WeakPolarHBondContact CG2-O 3.44Å; Y293-G295 PolarHBondContact O-N 3Å
296	V	90.9	Very high	95.2	Very high	51 Å²	51	17.5 Å²	17.5	31%	0.309	10%	0.095	S	C	.	.	S	Bend	trans	-85.7	134.2	173.5	-172.8	0	0	0	0	109.2	P136 T182 D209 P212	P136-V296 HydrophobicContact CG-CG2 4.16Å; T182-V296 WeakPolarHBondContact OG1-CA 3.41Å; D209-V296 CarbonylContact O-C 3.21Å; D209-V296 WeakPolarHBondContact O-CG1 2.66Å; D209-V296 VanDerWaalsContact O-O 3.1Å; P212-V296 HydrophobicContact CG-CG1 3.81Å
297	G	93.6	Very high	95	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171.9	-155	-180	0	0	0	0	0	113.3	T182 E207 D209	T182-G297 PolarHBondContact N-O 3Å; T182-G297 PolarHBondContact OG1-N 2.72Å; T182-G297 PolarHBondContact OG1-O 3.19Å; E207-G297 CarbonylContact O-C 3.54Å; E207-G297 WeakPolarHBondContact O-CA 3.44Å; D209-G297 WeakPolarHBondContact O-CA 3.33Å; D209-G297 PolarHBondContact O-N 3.46Å
298	V	96.5	Very high	94.9	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	118.5	-176.5	-175.6	0	0	0	0	109.4	R179 E207 D209 P212	R179-V298 HydrophobicContact CB-CG1 3.8Å; R179-V298 HydrophobicContact CG-CG1 4.48Å; E207-V298 HydrophobicContact CB-CB 4.43Å; E207-V298 PolarHBondContact N-O 2.93Å; E207-V298 PolarHBondContact O-N 3.33Å; D209-V298 HydrophobicContact CB-CG2 4.38Å; P212-V298 HydrophobicContact CB-CG2 3.67Å
299	Y	97.9	Very high	94.8	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	132.7	167	-76.4	-91	0	0	0	110.1	R179 V180 T182 I189 L204 Y205 F206 L274 H291 Q292 Y293 F301	R179-Y299 CarbonylContact C-O 3.54Å; R179-Y299 VanDerWaalsContact CA-O 3.31Å; R179-Y299 WeakPolarHBondContact CA-O 3.33Å; V180-Y299 PolarHBondContact N-O 2.77Å; V180-Y299 PolarHBondContact O-N 2.73Å; T182-Y299 HydrophobicContact CG2-CD2 4.35Å; T182-Y299 HydrophobicContact CG2-CE2 4.04Å; I189-Y299 HydrophobicContact CB-CD2 4.35Å; I189-Y299 HydrophobicContact CB-CE2 4.13Å; I189-Y299 HydrophobicContact CD1-CD1 4.38Å; I189-Y299 HydrophobicContact CD1-CD2 3.67Å; I189-Y299 HydrophobicContact CD1-CE2 4.29Å; I189-Y299 HydrophobicContact CD1-CG 3.71Å; I189-Y299 HydrophobicContact CG2-CD1 3.91Å; I189-Y299 HydrophobicContact CG2-CD2 4.25Å; I189-Y299 HydrophobicContact CG2-CE1 3.54Å; I189-Y299 HydrophobicContact CG2-CE2 3.93Å; I189-Y299 HydrophobicContact CG2-CG 4.23Å; L204-Y299 HydrophobicContact CD1-CD1 3.97Å; L204-Y299 HydrophobicContact CD2-CD1 4.24Å; L204-Y299 HydrophobicContact CD2-CE1 4.45Å; L204-Y299 HydrophobicContact CG-CD1 4.25Å; Y205-Y299 WeakPolarHBondContact O-CA 3.45Å; F206-Y299 HydrophobicContact CD2-CD1 4.1Å; F206-Y299 AromaticContact CD2-CD2 3.91Å; F206-Y299 HydrophobicContact CD2-CD2 3.91Å; F206-Y299 AromaticContact CD2-CE1 3.98Å; F206-Y299 HydrophobicContact CD2-CE1 3.98Å; F206-Y299 AromaticContact CD2-CE2 3.76Å; F206-Y299 HydrophobicContact CD2-CE2 3.76Å; F206-Y299 HydrophobicContact CD2-CG 4.08Å; F206-Y299 AromaticContact CD2-CZ 3.8Å; F206-Y299 AromaticContact CE2-CD2 3.96Å; F206-Y299 HydrophobicContact CE2-CD2 3.96Å; F206-Y299 AromaticContact CE2-CE2 3.65Å; F206-Y299 HydrophobicContact CE2-CE2 3.65Å; L274-Y299 HydrophobicContact CD1-CD1 3.97Å; L274-Y299 HydrophobicContact CD1-CE1 3.53Å; H291-Y299 HydrophobicContact CB-CE1 4.23Å; H291-Y299 AromaticContact ND1-CE1 3.43Å; H291-Y299 WeakPolarHBondContact ND1-CE1 3.24Å; H291-Y299 AromaticContact ND1-CZ 3.54Å; H291-Y299 PolarHBondContact ND1-OH 3.2Å; Q292-Y299 PolarHBondContact O-OH 3.34Å; Y293-Y299 AromaticContact CD1-CE2 3.71Å; Y293-Y299 HydrophobicContact CD1-CE2 3.71Å; Y293-Y299 AromaticContact CE1-CE2 3.74Å; Y293-Y299 HydrophobicContact CE1-CE2 3.74Å; Y299-F301 HydrophobicContact CG-CE2 4.48Å
300	V	98	Very high	94.8	Very high	9 Å²	9	35.2 Å²	35.2	6%	0.055	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	98.8	178.5	-173.4	0	0	0	0	108.5	T177 R179 Y205 E207 K302	T177-V300 HydrophobicContact CG2-CG1 3.46Å; T177-V300 VanDerWaalsContact CG2-CG1 3.46Å; R179-V300 HydrophobicContact CG-CG1 4.46Å; R179-V300 HydrophobicContact CG-CG2 4.43Å; Y205-V300 PolarHBondContact N-O 2.83Å; Y205-V300 PolarHBondContact O-N 2.71Å; E207-V300 HydrophobicContact CB-CG2 4.13Å; V300-K302 HydrophobicContact CG1-CG 4.35Å
301	F	98.6	Very high	94.8	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	121	174.6	-63.4	-99.9	0	0	0	108.9	T177 V178 V180 I189 W191 F202 L204 Y299 F303 I319	T177-F301 CarbonylContact C-O 3.42Å; T177-F301 VanDerWaalsContact CA-O 3.32Å; T177-F301 WeakPolarHBondContact CA-O 3.22Å; V178-F301 HydrophobicContact CB-CB 4.16Å; V178-F301 PolarHBondContact N-O 2.99Å; V178-F301 PolarHBondContact O-N 2.78Å; V180-F301 HydrophobicContact CB-CE2 4.1Å; V180-F301 HydrophobicContact CG2-CD2 3.98Å; V180-F301 HydrophobicContact CG2-CE2 3.81Å; I189-F301 HydrophobicContact CD1-CE2 3.58Å; I189-F301 HydrophobicContact CD1-CZ 3.53Å; I189-F301 HydrophobicContact CG1-CZ 4.03Å; W191-F301 HydrophobicContact CB-CD1 4.49Å; W191-F301 HydrophobicContact CB-CE1 3.65Å; W191-F301 HydrophobicContact CB-CZ 4.27Å; W191-F301 AromaticContact CD2-CE1 3.82Å; W191-F301 HydrophobicContact CD2-CE1 3.82Å; W191-F301 AromaticContact CE3-CE1 3.93Å; W191-F301 HydrophobicContact CE3-CE1 3.93Å; W191-F301 HydrophobicContact CE3-CZ 4.24Å; W191-F301 AromaticContact CG-CE1 3.71Å; W191-F301 HydrophobicContact CG-CE1 3.71Å; F202-F301 AromaticContact CE2-CD1 3.94Å; F202-F301 HydrophobicContact CE2-CD1 3.94Å; F202-F301 HydrophobicContact CZ-CD1 4.07Å; L204-F301 HydrophobicContact CD1-CD1 3.61Å; L204-F301 HydrophobicContact CD1-CD2 4.03Å; L204-F301 HydrophobicContact CD1-CE1 3.59Å; L204-F301 HydrophobicContact CD1-CE2 4.01Å; L204-F301 HydrophobicContact CD1-CG 3.83Å; L204-F301 HydrophobicContact CD1-CZ 3.79Å; Y299-F301 HydrophobicContact CG-CE2 4.48Å; F301-F303 HydrophobicContact CB-CE2 3.89Å; F301-F303 HydrophobicContact CB-CZ 4.39Å; F301-I319 HydrophobicContact CD1-CD1 4.11Å; F301-I319 HydrophobicContact CD2-CD1 3.74Å; F301-I319 HydrophobicContact CE1-CD1 4.17Å; F301-I319 HydrophobicContact CE1-CG1 4.33Å; F301-I319 HydrophobicContact CE2-CD1 3.79Å; F301-I319 HydrophobicContact CE2-CG1 4.42Å; F301-I319 HydrophobicContact CE2-CG2 4.11Å; F301-I319 HydrophobicContact CG-CD1 3.92Å; F301-I319 HydrophobicContact CZ-CD1 4.01Å; F301-I319 HydrophobicContact CZ-CG1 4.2Å; F301-I319 HydrophobicContact CZ-CG2 3.98Å
302	K	98.3	Very high	95	Very high	73 Å²	73	41.9 Å²	41.9	32%	0.317	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	117.2	176.4	-68.7	-163.9	178.3	179.7	0	110.3	F202 G203 Y205 I277 V300	F202-K302 WeakPolarHBondContact CA-O 3.14Å; G203-K302 PolarHBondContact N-O 2.68Å; G203-K302 PolarHBondContact O-N 2.6Å; Y205-K302 HydrophobicContact CD2-CD 4.15Å; Y205-K302 HydrophobicContact CD2-CG 4.21Å; Y205-K302 HydrophobicContact CE2-CB 4.5Å; Y205-K302 HydrophobicContact CE2-CD 3.73Å; Y205-K302 HydrophobicContact CE2-CG 4.11Å; I277-K302 HydrophobicContact CD1-CB 4.17Å; I277-K302 HydrophobicContact CD1-CD 4.06Å; V300-K302 HydrophobicContact CG1-CG 4.35Å
303	F	98.5	Very high	95.3	Very high	3 Å²	3	39.5 Å²	39.5	1%	0.013	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	97.2	174	-64.1	-75.8	0	0	0	108.7	I170 T175 A176 V178 F193 L200 G201 F202 F301 L315	I170-F303 HydrophobicContact CD1-CB 3.57Å; T175-F303 WeakPolarHBondContact CA-O 2.95Å; A176-F303 HydrophobicContact CB-CB 4.24Å; A176-F303 PolarHBondContact N-O 3.23Å; A176-F303 PolarHBondContact O-N 2.63Å; V178-F303 HydrophobicContact CG2-CD2 4.19Å; V178-F303 HydrophobicContact CG2-CE2 3.91Å; F193-F303 HydrophobicContact CB-CE1 4.01Å; F193-F303 HydrophobicContact CB-CZ 4.44Å; F193-F303 HydrophobicContact CD1-CE1 4.03Å; F193-F303 HydrophobicContact CD2-CE1 4Å; F193-F303 HydrophobicContact CE2-CE1 4.49Å; F193-F303 AromaticContact CG-CE1 3.75Å; F193-F303 HydrophobicContact CG-CE1 3.75Å; L200-F303 HydrophobicContact CD2-CB 4.03Å; L200-F303 HydrophobicContact CD2-CD1 3.97Å; L200-F303 HydrophobicContact CD2-CG 4.44Å; G201-F303 CarbonylContact O-C 3.49Å; G201-F303 WeakPolarHBondContact O-CA 3.33Å; F202-F303 AromaticContact CD2-CD1 3.89Å; F202-F303 HydrophobicContact CD2-CD1 3.89Å; F202-F303 AromaticContact CD2-CE1 3.6Å; F202-F303 HydrophobicContact CD2-CE1 3.6Å; F202-F303 HydrophobicContact CD2-CZ 4.27Å; F202-F303 HydrophobicContact CE2-CD1 4.5Å; F202-F303 AromaticContact CE2-CE1 3.85Å; F202-F303 HydrophobicContact CE2-CE1 3.85Å; F202-F303 HydrophobicContact CE2-CZ 4.08Å; F301-F303 HydrophobicContact CB-CE2 3.89Å; F301-F303 HydrophobicContact CB-CZ 4.39Å; F303-L315 HydrophobicContact CB-CD2 4.01Å; F303-L315 HydrophobicContact CD1-CD1 3.76Å; F303-L315 HydrophobicContact CD1-CD2 3.66Å; F303-L315 HydrophobicContact CD1-CG 4.39Å; F303-L315 HydrophobicContact CD2-CD2 3.48Å; F303-L315 VanDerWaalsContact CD2-CD2 3.48Å; F303-L315 HydrophobicContact CE1-CD1 3.79Å; F303-L315 HydrophobicContact CE1-CD2 3.91Å; F303-L315 HydrophobicContact CE1-CG 4.5Å; F303-L315 HydrophobicContact CE2-CD2 3.74Å; F303-L315 HydrophobicContact CG-CD1 4.38Å; F303-L315 HydrophobicContact CG-CD2 3.42Å; F303-L315 VanDerWaalsContact CG-CD2 3.42Å; F303-L315 HydrophobicContact CZ-CD1 4.42Å; F303-L315 HydrophobicContact CZ-CD2 3.94Å
304	D	98	Very high	95.6	Very high	25 Å²	25	44.4 Å²	44.4	13%	0.134	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	119.1	-165.6	-171.4	-15.9	0	0	0	111.2	T175 L200 G201 I277 S306 F307	T175-D304 HydrophobicContact CG2-CB 4.43Å; T175-D304 PolarHBondContact OG1-OD1 3.41Å; L200-D304 VanDerWaalsContact CD1-O 3.31Å; L200-D304 WeakPolarHBondContact CD1-O 3.47Å; G201-D304 WeakPolarHBondContact CA-O 3.23Å; G201-D304 PolarHBondContact N-O 2.82Å; G201-D304 PolarHBondContact O-N 3.35Å; I277-D304 HydrophobicContact CG2-CB 4.05Å; D304-S306 WeakPolarHBondContact OD1-CA 3.42Å; D304-S306 WeakPolarHBondContact OD1-CB 3.15Å; D304-S306 PolarHBondContact OD1-N 3.31Å; D304-S306 PolarHBondContact OD1-OG 2.74Å; D304-S306 PolarHBondContact OD2-OG 3.2Å; D304-F307 VanDerWaalsContact O-CE1 3.23Å; D304-F307 WeakPolarHBondContact O-CE1 3.46Å
305	N	97.7	Very high	96.1	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.208	C	C	.	.			trans	-119.8	17.7	171.6	-164.5	30.2	0	0	0	112.3	I170 S171 L173 A174 L200 F307 S308 R311 K313	I170-N305 HydrophobicContact CB-CB 4.39Å; I170-N305 HydrophobicContact CG2-CB 3.62Å; I170-N305 PolarHBondContact O-ND2 2.71Å; S171-N305 PolarHBondContact O-ND2 3.08Å; L173-N305 PolarHBondContact N-O 2.92Å; A174-N305 CarbonylContact O-C 3.24Å; A174-N305 VanDerWaalsContact O-C 3.24Å; A174-N305 WeakPolarHBondContact O-CA 3.34Å; A174-N305 WeakPolarHBondContact O-CB 3.49Å; A174-N305 PolarHBondContact O-N 3.21Å; L200-N305 HydrophobicContact CD1-CB 3.95Å; N305-F307 PolarHBondContact O-N 2.94Å; N305-S308 PolarHBondContact O-N 3.38Å; N305-S308 VanDerWaalsContact O-N 3.1Å; N305-S308 WeakPolarHBondContact OD1-CB 3.15Å; N305-R311 PolarHBondContact ND2-O 3.29Å; N305-K313 HydrophobicContact CB-CD 4.44Å; N305-K313 WeakPolarHBondContact OD1-CD 3.42Å; N305-K313 VanDerWaalsContact OD1-CE 3.23Å; N305-K313 WeakPolarHBondContact OD1-CE 3.24Å; N305-K313 PolarHBondContact OD1-NZ 3.05Å
306	S	95.8	Very high	96.5	Very high	44 Å²	44	44.7 Å²	44.7	31%	0.308	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-29.9	179.3	64.4	0	0	0	0	112.5	L173 A174 D304 S308	L173-S306 WeakPolarHBondContact CD2-O 3.32Å; A174-S306 PolarHBondContact O-N 3.26Å; D304-S306 WeakPolarHBondContact OD1-CA 3.42Å; D304-S306 WeakPolarHBondContact OD1-CB 3.15Å; D304-S306 PolarHBondContact OD1-N 3.31Å; D304-S306 PolarHBondContact OD1-OG 2.74Å; D304-S306 PolarHBondContact OD2-OG 3.2Å; S306-S308 VanDerWaalsContact C-N 3.29Å; S306-S308 PolarHBondContact O-N 2.96Å
307	F	94.5	Very high	96.9	Very high	75 Å²	75	43.1 Å²	43.1	33%	0.329	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-11.7	178.5	63.9	-94.2	0	0	0	114.3	R279 D304 N305	R279-F307 HydrophobicContact CG-CE1 4.08Å; R279-F307 HydrophobicContact CG-CZ 4.13Å; D304-F307 VanDerWaalsContact O-CE1 3.23Å; D304-F307 WeakPolarHBondContact O-CE1 3.46Å; N305-F307 PolarHBondContact O-N 2.94Å
308	S	94.1	Very high	97.1	Very high	14 Å²	14	45.3 Å²	45.3	10%	0.098	20%	0.202	C	C	.	.			trans	-97.6	109.7	-175.3	-159.7	0	0	0	0	112.1	S172 L173 N305 S306 R311 K313	S172-S308 CarbonylContact C-O 3.58Å; S172-S308 VanDerWaalsContact CA-O 3.28Å; S172-S308 WeakPolarHBondContact CA-O 3.32Å; S172-S308 WeakPolarHBondContact CB-O 3.43Å; L173-S308 PolarHBondContact N-O 3.3Å; L173-S308 VanDerWaalsContact N-O 3.07Å; N305-S308 PolarHBondContact O-N 3.38Å; N305-S308 VanDerWaalsContact O-N 3.1Å; N305-S308 WeakPolarHBondContact OD1-CB 3.15Å; S306-S308 VanDerWaalsContact C-N 3.29Å; S306-S308 PolarHBondContact O-N 2.96Å; S308-R311 WeakPolarHBondContact OG-CB 3.39Å; S308-R311 PolarHBondContact OG-N 3.32Å; S308-R311 PolarHBondContact OG-O 2.9Å; S308-K313 VanDerWaalsContact CB-NZ 3.32Å; S308-K313 PolarHBondContact OG-NZ 2.91Å
309	L	93.8	Very high	97.1	Very high	105 Å²	105	46.9 Å²	46.9	55%	0.55	21%	0.21	S	C	.	.	S	Bend	trans	-67.9	-34.4	178.8	-60	177.5	0	0	0	113.6	L173	L173-L309 HydrophobicContact CD2-CD2 3.98Å
310	W	94.6	Very high	97	Very high	212 Å²	212	51 Å²	51	80%	0.803	23%	0.228	S	C	*	.	S	Bend	trans	-128.9	-10.3	-165.8	-46.8	110.1	0	0	0	115.1
311	R	96.1	Very high	96.9	Very high	134 Å²	134	55 Å²	55	51%	0.506	24%	0.242	S	C	.	.			trans	-117.8	108.6	-170.5	-55.6	-60.6	-175.1	-164.8	1.5	110.4	Y198 N305 S308 K313	Y198-R311 HydrophobicContact CD2-CB 4.08Å; Y198-R311 HydrophobicContact CD2-CG 4.41Å; Y198-R311 HydrophobicContact CE1-CG 4.48Å; Y198-R311 HydrophobicContact CE2-CB 4.01Å; Y198-R311 HydrophobicContact CE2-CG 3.98Å; Y198-R311 PolarHBondContact OH-NE 3.2Å; N305-R311 PolarHBondContact ND2-O 3.29Å; S308-R311 WeakPolarHBondContact OG-CB 3.39Å; S308-R311 PolarHBondContact OG-N 3.32Å; S308-R311 PolarHBondContact OG-O 2.9Å; R311-K313 PolarHBondContact O-NZ 3.47Å
312	S	97.3	Very high	96.6	Very high	44 Å²	44	57.4 Å²	57.4	31%	0.308	26%	0.257	S	S	.	.			trans	-67.1	153.4	159.7	-43.9	0	0	0	0	110.4	K169 I170	K169-S312 WeakPolarHBondContact CE-OG 3.41Å; I170-S312 CarbonylContact O-C 3.53Å; I170-S312 WeakPolarHBondContact O-CA 3.26Å; I170-S312 WeakPolarHBondContact O-CB 3.06Å
313	K	98	Very high	96.1	Very high	7 Å²	7	60.6 Å²	60.6	3%	0.03	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	132.6	-178.9	-65.1	171.5	175.3	59.5	0	109.3	I170 D199 L200 N305 S308 R311	I170-K313 PolarHBondContact N-O 2.76Å; I170-K313 PolarHBondContact O-N 3.43Å; D199-K313 WeakPolarHBondContact O-CD 3.34Å; D199-K313 WeakPolarHBondContact O-CE 3.5Å; L200-K313 HydrophobicContact CB-CD 4.25Å; L200-K313 HydrophobicContact CD1-CB 4.37Å; L200-K313 HydrophobicContact CD1-CD 3.44Å; L200-K313 VanDerWaalsContact CD1-CD 3.44Å; L200-K313 HydrophobicContact CG-CD 4.41Å; N305-K313 HydrophobicContact CB-CD 4.44Å; N305-K313 WeakPolarHBondContact OD1-CD 3.42Å; N305-K313 VanDerWaalsContact OD1-CE 3.23Å; N305-K313 WeakPolarHBondContact OD1-CE 3.24Å; N305-K313 PolarHBondContact OD1-NZ 3.05Å; S308-K313 VanDerWaalsContact CB-NZ 3.32Å; S308-K313 PolarHBondContact OG-NZ 2.91Å; R311-K313 PolarHBondContact O-NZ 3.47Å
314	W	98.2	Very high	96	Very high	120 Å²	120	63.5 Å²	63.5	46%	0.455	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	120.9	166.1	-76.5	103.5	0	0	0	108	K169 T195 D196 Y316	K169-W314 HydrophobicContact CB-CD2 4.1Å; K169-W314 HydrophobicContact CB-CE3 3.93Å; K169-W314 HydrophobicContact CB-CH2 3.98Å; K169-W314 HydrophobicContact CB-CZ2 4.14Å; K169-W314 HydrophobicContact CB-CZ3 3.87Å; K169-W314 HydrophobicContact CD-CZ2 4.17Å; K169-W314 HydrophobicContact CG-CD2 4.42Å; K169-W314 HydrophobicContact CG-CZ2 4.42Å; T195-W314 WeakPolarHBondContact CA-O 3.27Å; T195-W314 WeakPolarHBondContact CB-O 3.27Å; D196-W314 WeakPolarHBondContact OD2-CB 3.42Å; W314-Y316 HydrophobicContact CB-CE2 4.08Å
315	L	98.4	Very high	95.9	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	123.8	175.3	173	69.4	0	0	0	108.4	C167 I168 I170 F193 L200 F303 Y317	C167-L315 CarbonylContact C-O 3.54Å; C167-L315 VanDerWaalsContact CA-O 3.28Å; C167-L315 WeakPolarHBondContact CA-O 3.34Å; I168-L315 HydrophobicContact CD1-CD2 4.01Å; I168-L315 HydrophobicContact CG1-CB 4Å; I168-L315 HydrophobicContact CG1-CD2 3.98Å; I168-L315 HydrophobicContact CG1-CG 4.39Å; I168-L315 PolarHBondContact N-O 3.2Å; I168-L315 PolarHBondContact O-N 3.46Å; I170-L315 HydrophobicContact CD1-CB 4.11Å; I170-L315 HydrophobicContact CD1-CD2 4.12Å; I170-L315 HydrophobicContact CG1-CB 4.44Å; F193-L315 HydrophobicContact CB-CD1 3.88Å; F193-L315 HydrophobicContact CD2-CD1 4.24Å; F193-L315 HydrophobicContact CG-CD1 4.44Å; L200-L315 HydrophobicContact CD2-CD1 3.94Å; F303-L315 HydrophobicContact CB-CD2 4.01Å; F303-L315 HydrophobicContact CD1-CD1 3.76Å; F303-L315 HydrophobicContact CD1-CD2 3.66Å; F303-L315 HydrophobicContact CD1-CG 4.39Å; F303-L315 HydrophobicContact CD2-CD2 3.48Å; F303-L315 VanDerWaalsContact CD2-CD2 3.48Å; F303-L315 HydrophobicContact CE1-CD1 3.79Å; F303-L315 HydrophobicContact CE1-CD2 3.91Å; F303-L315 HydrophobicContact CE1-CG 4.5Å; F303-L315 HydrophobicContact CE2-CD2 3.74Å; F303-L315 HydrophobicContact CG-CD1 4.38Å; F303-L315 HydrophobicContact CG-CD2 3.42Å; F303-L315 VanDerWaalsContact CG-CD2 3.42Å; F303-L315 HydrophobicContact CZ-CD1 4.42Å; F303-L315 HydrophobicContact CZ-CD2 3.94Å; L315-Y317 HydrophobicContact CD2-CD1 3.99Å; L315-Y317 HydrophobicContact CD2-CG 4.44Å; L315-Y317 HydrophobicContact CG-CD1 4.17Å
316	Y	98.6	Very high	95.8	Very high	22 Å²	22	69.2 Å²	69.2	9%	0.086	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	120.9	166.7	-54.6	-103.3	0	0	0	105.9	K156 I159 L160 C167 F193 A194 D196 W314	K156-Y316 HydrophobicContact CB-CD1 4.04Å; K156-Y316 HydrophobicContact CB-CE1 4.08Å; K156-Y316 HydrophobicContact CB-CG 4.39Å; K156-Y316 HydrophobicContact CD-CD2 4.21Å; K156-Y316 HydrophobicContact CD-CE2 4.03Å; K156-Y316 HydrophobicContact CG-CD1 4.01Å; K156-Y316 HydrophobicContact CG-CD2 3.88Å; K156-Y316 HydrophobicContact CG-CE1 4.2Å; K156-Y316 HydrophobicContact CG-CE2 4.11Å; K156-Y316 HydrophobicContact CG-CG 3.86Å; I159-Y316 HydrophobicContact CB-CD1 4.36Å; I159-Y316 HydrophobicContact CG2-CD1 4.25Å; L160-Y316 HydrophobicContact CD1-CE1 3.95Å; L160-Y316 HydrophobicContact CD2-CE1 3.92Å; L160-Y316 HydrophobicContact CG-CD1 4.34Å; L160-Y316 HydrophobicContact CG-CE1 3.82Å; C167-Y316 HydrophobicContact CB-CD1 4.25Å; F193-Y316 CarbonylContact C-O 3.52Å; F193-Y316 WeakPolarHBondContact CA-O 3.31Å; F193-Y316 WeakPolarHBondContact CB-O 3.14Å; A194-Y316 PolarHBondContact N-O 3.47Å; A194-Y316 PolarHBondContact O-N 3.26Å; D196-Y316 VanDerWaalsContact OD1-CE2 3.26Å; D196-Y316 WeakPolarHBondContact OD1-CE2 3.35Å; D196-Y316 PolarHBondContact OD1-OH 3.03Å; D196-Y316 PolarHBondContact OD2-OH 3.48Å; W314-Y316 HydrophobicContact CB-CE2 4.08Å
317	Y	98.5	Very high	95.8	Very high	18 Å²	18	70.6 Å²	70.6	7%	0.071	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	161.5	-179.7	75.4	-82.2	0	0	0	111.7	I159 C166 I168 V178 E192 L315 I319	I159-Y317 WeakPolarHBondContact CD1-O 3.38Å; C166-Y317 HydrophobicContact CB-CD1 4.16Å; C166-Y317 HydrophobicContact CB-CE1 4Å; C166-Y317 HydrophobicContact CB-CE2 4.37Å; C166-Y317 HydrophobicContact CB-CG 4.42Å; C166-Y317 WeakPolarHBondContact CB-O 3.36Å; C166-Y317 WeakPolarHBondContact O-CD1 3.17Å; C166-Y317 PolarHBondContact O-N 3.41Å; I168-Y317 HydrophobicContact CD1-CE1 4.3Å; I168-Y317 HydrophobicContact CG1-CE1 4.34Å; I168-Y317 HydrophobicContact CG2-CE1 4.29Å; V178-Y317 HydrophobicContact CG1-CE2 4.24Å; V178-Y317 HydrophobicContact CG2-CE2 4.28Å; E192-Y317 CarbonylContact O-C 3.53Å; E192-Y317 WeakPolarHBondContact O-CA 3.27Å; L315-Y317 HydrophobicContact CD2-CD1 3.99Å; L315-Y317 HydrophobicContact CD2-CG 4.44Å; L315-Y317 HydrophobicContact CG-CD1 4.17Å; Y317-I319 HydrophobicContact CD2-CD1 3.89Å; Y317-I319 HydrophobicContact CD2-CG1 4.09Å; Y317-I319 HydrophobicContact CE2-CD1 4.09Å
318	R	97.6	Very high	95.9	Very high	47 Å²	47	70.4 Å²	70.4	18%	0.177	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	132.5	169.6	176.8	166.1	65.2	-168.8	-0.8	108.1	F155 E158 I159 Q163 W191 E192 F320	F155-R318 HydrophobicContact CE2-CB 4.45Å; E158-R318 VanDerWaalsContact CD-NH1 3.3Å; E158-R318 IonicContact OE1-CZ 2.96Å; E158-R318 IonicContact OE1-NH1 2.66Å; E158-R318 PolarHBondContact OE1-NH1 3.39Å; E158-R318 IonicContact OE1-NH2 3.97Å; E158-R318 IonicContact OE2-NH1 3.97Å; E158-R318 IonicContact OE2-NH2 3.84Å; I159-R318 HydrophobicContact CD1-CB 3.89Å; Q163-R318 VanDerWaalsContact OE1-CD 3.3Å; W191-R318 CarbonylContact C-O 3.51Å; W191-R318 VanDerWaalsContact CA-O 3.3Å; W191-R318 WeakPolarHBondContact CA-O 3.5Å; E192-R318 PolarHBondContact N-O 3.5Å; E192-R318 PolarHBondContact O-N 2.93Å; E192-R318 IonicContact OE1-NH2 2.73Å; E192-R318 IonicContact OE2-CZ 3.11Å; E192-R318 IonicContact OE2-NE 3.07Å; E192-R318 PolarHBondContact OE2-NE 3.32Å; E192-R318 IonicContact OE2-NH2 2.68Å; E192-R318 PolarHBondContact OE2-NH2 3.46Å; R318-F320 HydrophobicContact CG-CD1 4.02Å; R318-F320 HydrophobicContact CG-CE1 4.42Å
319	I	97.6	Very high	96	Very high	32 Å²	32	74.1 Å²	74.1	16%	0.164	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	134.5	178.3	-60.4	162.3	0	0	0	107.8	V178 V180 I189 C190 W191 F301 Y317	V178-I319 HydrophobicContact CB-CD1 4.42Å; V178-I319 HydrophobicContact CG1-CD1 3.94Å; V180-I319 HydrophobicContact CG1-CG2 4.18Å; V180-I319 HydrophobicContact CG2-CD1 3.98Å; V180-I319 HydrophobicContact CG2-CG2 4.1Å; I189-I319 HydrophobicContact CD1-CG2 3.71Å; I189-I319 HydrophobicContact CG1-CG2 3.74Å; C190-I319 WeakPolarHBondContact O-CA 3.43Å; W191-I319 HydrophobicContact CB-CG1 4.02Å; F301-I319 HydrophobicContact CD1-CD1 4.11Å; F301-I319 HydrophobicContact CD2-CD1 3.74Å; F301-I319 HydrophobicContact CE1-CD1 4.17Å; F301-I319 HydrophobicContact CE1-CG1 4.33Å; F301-I319 HydrophobicContact CE2-CD1 3.79Å; F301-I319 HydrophobicContact CE2-CG1 4.42Å; F301-I319 HydrophobicContact CE2-CG2 4.11Å; F301-I319 HydrophobicContact CG-CD1 3.92Å; F301-I319 HydrophobicContact CZ-CD1 4.01Å; F301-I319 HydrophobicContact CZ-CG1 4.2Å; F301-I319 HydrophobicContact CZ-CG2 3.98Å; Y317-I319 HydrophobicContact CD2-CD1 3.89Å; Y317-I319 HydrophobicContact CD2-CG1 4.09Å; Y317-I319 HydrophobicContact CE2-CD1 4.09Å
320	F	95.9	Very high	96.1	Very high	88 Å²	88	71.9 Å²	71.9	39%	0.386	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	162.2	-179	55.2	-82.6	0	0	0	109.8	C190 R318 T322	C190-F320 HydrophobicContact CB-CD1 4.24Å; C190-F320 HydrophobicContact CB-CD2 3.76Å; C190-F320 HydrophobicContact CB-CE1 3.86Å; C190-F320 HydrophobicContact CB-CE2 3.32Å; C190-F320 HydrophobicContact CB-CG 4.2Å; C190-F320 HydrophobicContact CB-CZ 3.38Å; C190-F320 PolarHBondContact N-O 3.12Å; C190-F320 PolarHBondContact O-N 2.95Å; R318-F320 HydrophobicContact CG-CD1 4.02Å; R318-F320 HydrophobicContact CG-CE1 4.42Å; F320-T322 HydrophobicContact CE2-CG2 4.47Å
321	Y	95.1	Very high	96.3	Very high	91 Å²	91	61.2 Å²	61.2	36%	0.357	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	157.9	174.2	65.1	-95.3	0	0	0	111	H183 A188 Y293 H323	H183-Y321 HydrophobicContact CB-CD1 3.75Å; H183-Y321 HydrophobicContact CB-CD2 4.35Å; H183-Y321 HydrophobicContact CB-CE1 3.89Å; H183-Y321 HydrophobicContact CB-CE2 4.49Å; H183-Y321 HydrophobicContact CB-CG 4.01Å; H183-Y321 AromaticContact CD2-CE1 3.85Å; H183-Y321 AromaticContact CE1-CZ 3.88Å; H183-Y321 AromaticContact CG-CE1 3.65Å; H183-Y321 AromaticContact CG-CZ 3.72Å; H183-Y321 AromaticContact ND1-CE2 3.79Å; H183-Y321 AromaticContact ND1-CZ 3.61Å; A188-Y321 CarbonylContact O-C 3.45Å; A188-Y321 WeakPolarHBondContact O-CA 3.48Å; A188-Y321 WeakPolarHBondContact O-CB 3.4Å; Y293-Y321 WeakPolarHBondContact OH-CB 3.3Å; Y321-H323 AromaticContact CE2-CE1 3.61Å; Y321-H323 AromaticContact CE2-NE2 3.69Å
322	T	92.1	Very high	96.3	Very high	51 Å²	51	55.1 Å²	55.1	31%	0.313	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	159	172	63.3	0	0	0	0	110.9	G186 R187 A188 F320	G186-T322 CarbonylContact C-O 3.5Å; G186-T322 WeakPolarHBondContact CA-O 3.35Å; R187-T322 PolarHBondContact N-O 2.83Å; A188-T322 PolarHBondContact O-N 3.38Å; F320-T322 HydrophobicContact CE2-CG2 4.47Å
323	H	87.9	Confident	96.2	Very high	141 Å²	141	56.1 Å²	56.1	65%	0.653	25%	0.245	S	C	*	.			trans	-97.4	0	-177.6	-69.6	-73.9	0	0	0	113.8	N185 R187 Y321	N185-H323 PolarHBondContact O-ND1 2.89Å; R187-H323 WeakPolarHBondContact CD-OXT 3.38Å; R187-H323 VanDerWaalsContact CG-OXT 3.22Å; R187-H323 WeakPolarHBondContact CG-OXT 3.16Å; R187-H323 VanDerWaalsContact CZ-OXT 3.25Å; R187-H323 PolarHBondContact NE-OXT 2.95Å; R187-H323 PolarHBondContact NH1-OXT 3.42Å; R187-H323 VanDerWaalsContact NH1-OXT 3.14Å; Y321-H323 AromaticContact CE2-CE1 3.61Å; Y321-H323 AromaticContact CE2-NE2 3.69Å

Retrieved 323 of 323 residues in 821.9 ms (Link to these results)

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