A0A077Z0E8_TRITR Loading...

SH2 domain-containing protein

AlphaFold DB , UniProt , Accession A0A077Z0E8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 553 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	46.1	Very low	40.4	Very low	226 Å²	226	148.9 Å²	148.9	100%	1.113	77%	0.77	S	S	*	*				0	79.6	0	-64.9	177.3	174	0	0	105.7
2	D	42.2	Very low	39.8	Very low	122 Å²	122	150 Å²	150	65%	0.652	77%	0.769	S	S	*	*				59.3	133.9	67	-58.6	-79.4	0	0	0	111.5
3	K	42.9	Very low	39.6	Very low	159 Å²	159	150.2 Å²	150.2	69%	0.691	77%	0.771	S	S	*	*			cis	-174.1	152.5	-7.5	-114.7	179.2	-176.1	110.8	0	105.5
4	N	43	Very low	39.2	Very low	133 Å²	133	148.8 Å²	148.8	71%	0.711	77%	0.766	S	S	*	*			trans	49	163.3	141.9	-62.8	40.2	0	0	0	119.3
5	D	44	Very low	38.6	Very low	105 Å²	105	146 Å²	146	56%	0.561	77%	0.765	S	S	*	*			cis	-161.7	162	-17.7	-116.6	-47.1	0	0	0	106.5
6	Q	41.9	Very low	38.4	Very low	161 Å²	161	146.3 Å²	146.3	75%	0.752	78%	0.775	S	S	*	*			trans	39.1	143.6	138.1	-64.6	166.1	51.8	0	0	121.5
7	S	40.4	Very low	37.9	Very low	91 Å²	91	149.5 Å²	149.5	64%	0.636	78%	0.78	S	S	*	*			cis	-173.8	167	1	50	0	0	0	0	112.1
8	L	37.8	Very low	37.7	Very low	170 Å²	170	155.3 Å²	155.3	89%	0.89	79%	0.79	S	S	*	*			trans	52.5	116	143.9	-73.7	160.8	0	0	0	121.3
9	G	36.9	Very low	37.4	Very low	80 Å²	80	156.6 Å²	156.6	83%	0.825	79%	0.79	S	S	*	*			trans	-169.7	123.2	158.5	0	0	0	0	0	110.2
10	Q	36.3	Very low	37.2	Very low	178 Å²	178	155.2 Å²	155.2	83%	0.832	79%	0.792	S	S	*	*			trans	-88.8	155.8	-165	-69.6	177.9	-38.8	0	0	115.7
11	R	33.1	Very low	37	Very low	213 Å²	213	156.3 Å²	156.3	80%	0.804	79%	0.794	S	S	*	*			trans	109.2	136.8	131.5	-109.3	-178.4	-174.9	173.4	0.6	120
12	E	33.2	Very low	36.2	Very low	162 Å²	162	148.6 Å²	148.6	76%	0.757	77%	0.773	S	S	*	*			trans	71.8	109.4	160.1	-63.6	175.7	-162.1	0	0	119.4
13	L	37.2	Very low	35.7	Very low	153 Å²	153	149.8 Å²	149.8	80%	0.801	77%	0.774	S	S	*	*				-170.4	127.7	109.3	-121.2	93.9	0	0	0	114.3
14	N	33.9	Very low	35.3	Very low	130 Å²	130	148.3 Å²	148.3	70%	0.695	77%	0.773	S	S	*	*			trans	46.7	107.7	136.2	-60.9	-12.6	0	0	0	124.4
15	S	30.4	Very low	34.9	Very low	107 Å²	107	145.7 Å²	145.7	75%	0.748	76%	0.756	S	S	*	*				51.7	114.7	124.7	68.5	0	0	0	0	122.9
16	T	34.3	Very low	34.4	Very low	151 Å²	151	145.6 Å²	145.6	93%	0.926	76%	0.759	S	S	*	*				-159.9	160.8	126.8	-5	0	0	0	0	113.2
17	K	31	Very low	33.9	Very low	200 Å²	200	139.8 Å²	139.8	87%	0.87	73%	0.733	S	S	*	*			trans	-78.7	148.1	-173	-60.3	164.9	175.1	172.9	0	113.7
18	R	34	Very low	33.5	Very low	254 Å²	254	146.1 Å²	146.1	96%	0.958	74%	0.743	S	S	*	*			trans	-165	143.1	138.5	-105.5	165.1	-166.8	-162.5	2.2	111.1
19	K	31.5	Very low	33.1	Very low	181 Å²	181	145 Å²	145	79%	0.787	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-84.8	158.4	176	-69.4	176.5	173.2	-179.6	0	110.7
20	P	33.9	Very low	32.7	Very low	128 Å²	128	146.9 Å²	146.9	83%	0.831	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-85.1	127.4	150.2	33.4	-26.6	0	0	0	109.7
21	E	32.1	Very low	32.4	Very low	179 Å²	179	147.6 Å²	147.6	84%	0.836	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-97.1	124	170	-72.2	173.6	162.1	0	0	108.4
22	G	29.7	Very low	32.2	Very low	64 Å²	64	145.1 Å²	145.1	66%	0.66	74%	0.738	S	S	*	*			trans	-112.5	115.4	171.5	0	0	0	0	0	109
23	E	32.5	Very low	32	Very low	146 Å²	146	143.5 Å²	143.5	68%	0.682	74%	0.739	S	S	*	*			trans	-72.7	127	175.6	-65.9	-169.7	164.1	0	0	110.4	K365	E23-K365 IonicContact OE2-NZ 2.73Å; E23-K365 PolarHBondContact OE2-NZ 2.84Å
24	L	33.4	Very low	31.8	Very low	128 Å²	128	140.5 Å²	140.5	67%	0.67	73%	0.73	S	S	*	*			trans	-127.2	125.2	-178.1	-72.2	153.9	0	0	0	109	N403	L24-N403 WeakPolarHBondContact CD2-ND2 3.44Å
25	F	36	Very low	31.7	Very low	79 Å²	79	142.8 Å²	142.8	35%	0.346	74%	0.737	S	S	.	*			trans	-82	163.9	-176.8	-57.6	-70.1	0	0	0	112.9	P363 K365	F25-P363 HydrophobicContact CD1-CG 3.71Å; F25-P363 HydrophobicContact CE1-CG 3.86Å; F25-P363 HydrophobicContact CG-CG 4.08Å; F25-P363 HydrophobicContact CZ-CG 4.33Å; F25-K365 HydrophobicContact CZ-CD 4.13Å; F25-K365 VanDerWaalsContact CZ-CE 3.48Å
26	T	33.8	Very low	31.8	Very low	103 Å²	103	143.5 Å²	143.5	63%	0.632	74%	0.737	S	S	*	*			trans	-135.4	128.7	-162.5	40.9	0	0	0	0	113.6	K405	T26-K405 VanDerWaalsContact CG2-CE 3.46Å
27	L	30.8	Very low	31.4	Very low	38 Å²	38	141.3 Å²	141.3	20%	0.199	73%	0.727	C	S	.	*			trans	-66.6	152.3	169.1	-59.3	172.8	0	0	0	111.4	V402 N403 K405	L27-V402 HydrophobicContact CD2-CG1 4.15Å; L27-N403 WeakPolarHBondContact CD1-O 3.22Å; L27-K405 HydrophobicContact CB-CD 4.3Å; L27-K405 HydrophobicContact CB-CG 4.35Å; L27-K405 VanDerWaalsContact O-CD 3.3Å; L27-K405 WeakPolarHBondContact O-CD 3.14Å; L27-K405 WeakPolarHBondContact O-CE 3.46Å; L27-K405 PolarHBondContact O-NZ 3.26Å
28	R	32	Very low	31.1	Very low	225 Å²	225	139 Å²	139	85%	0.849	73%	0.725	S	S	*	*			trans	-132.2	128.9	178.1	-120.5	-174.4	-174.8	-170	1.2	111.6
29	N	29.3	Very low	30.7	Very low	145 Å²	145	134.1 Å²	134.1	78%	0.775	72%	0.717	S	S	*	*			trans	-95	145.7	158.2	-64.3	-9.7	0	0	0	107.3
30	C	28.3	Very low	30.3	Very low	120 Å²	120	133.7 Å²	133.7	81%	0.811	72%	0.721	S	S	*	*			trans	-108	120.5	-174.1	-76.8	0	0	0	0	112.6
31	E	31.2	Very low	29.8	Very low	193 Å²	193	133.2 Å²	133.2	90%	0.902	71%	0.711	S	S	*	*			trans	-129.8	123	161.7	-73.7	-176	154.7	0	0	110.2
32	E	28.6	Very low	29.4	Very low	162 Å²	162	133.8 Å²	133.8	76%	0.757	71%	0.713	S	S	*	*			trans	41.2	126.1	150.5	-62.1	-148.3	137.3	0	0	125.8
33	V	28.9	Very low	29.2	Very low	128 Å²	128	140.6 Å²	140.6	78%	0.776	72%	0.719	S	S	*	*			trans	75.6	139.6	130.7	175.4	0	0	0	0	117.2
34	S	32.5	Very low	28.8	Very low	89 Å²	89	140.1 Å²	140.1	62%	0.622	72%	0.718	S	S	*	*			cis	-157.6	158.2	8.3	37.3	0	0	0	0	112.4
35	E	31.8	Very low	28.4	Very low	179 Å²	179	140.1 Å²	140.1	84%	0.836	72%	0.718	S	S	*	*			trans	51.9	133	145.4	-64.3	175.1	178.3	0	0	120
36	T	32.9	Very low	27.9	Very low	122 Å²	122	144.6 Å²	144.6	75%	0.748	74%	0.738	S	S	*	*			cis	-160.9	149	45	43.1	0	0	0	0	114.4
37	S	26.3	Very low	27.6	Very low	104 Å²	104	146.4 Å²	146.4	73%	0.727	74%	0.737	S	S	*	*			trans	70.7	128.4	145.2	-54.8	0	0	0	0	124.1
38	D	24.9	Very low	27.3	Very low	152 Å²	152	151.2 Å²	151.2	81%	0.813	76%	0.763	S	S	*	*			trans	64.4	75.1	146.2	-57.3	-12.2	0	0	0	121.3
39	L	25.1	Very low	27.1	Very low	151 Å²	151	149 Å²	149	79%	0.791	76%	0.76	S	S	*	*			trans	-156.6	134.7	145	-107.7	150.7	0	0	0	110.6	I41	L39-I41 HydrophobicContact CB-CD1 4.24Å; L39-I41 HydrophobicContact CB-CG1 4.29Å; L39-I41 PolarHBondContact O-N 3.38Å; L39-I41 VanDerWaalsContact O-N 3.08Å
40	I	22.4	Very low	26.9	Very low	172 Å²	172	151.1 Å²	151.1	88%	0.882	77%	0.765	S	S	*	*			trans	-76.1	97.9	176.8	-61.5	175	0	0	0	108.2
41	I	24.5	Very low	27	Very low	119 Å²	119	155.2 Å²	155.2	61%	0.61	77%	0.765	S	S	*	*			trans	-118.1	130	176.9	-63.3	171.4	0	0	0	108.2	L39 R43	L39-I41 HydrophobicContact CB-CD1 4.24Å; L39-I41 HydrophobicContact CB-CG1 4.29Å; L39-I41 PolarHBondContact O-N 3.38Å; L39-I41 VanDerWaalsContact O-N 3.08Å; I41-R43 VanDerWaalsContact C-N 3.33Å; I41-R43 PolarHBondContact O-N 3.26Å
42	H	23.2	Very low	26.9	Very low	190 Å²	190	153.1 Å²	153.1	88%	0.88	76%	0.76	S	S	*	*			trans	-69.9	90.9	170.7	-90.5	-80	0	0	0	110
43	R	24.7	Very low	26.8	Very low	208 Å²	208	154 Å²	154	79%	0.785	76%	0.764	S	S	*	*			trans	-79.3	117.5	-176.9	-153.7	-178.4	-164.1	-179.4	4.9	110.3	I41 L45	I41-R43 VanDerWaalsContact C-N 3.33Å; I41-R43 PolarHBondContact O-N 3.26Å; R43-L45 HydrophobicContact CG-CG 4.44Å
44	M	23.9	Very low	26.8	Very low	135 Å²	135	153.2 Å²	153.2	67%	0.665	76%	0.761	S	S	*	*			trans	-112.1	111.1	161.1	-78.6	-176.2	68.4	0	0	108.8
45	L	26.4	Very low	26.9	Very low	128 Å²	128	154.8 Å²	154.8	67%	0.67	77%	0.767	S	S	*	*			trans	-89.6	114.4	174.4	-77.4	157.5	0	0	0	108.5	R43 K47	R43-L45 HydrophobicContact CG-CG 4.44Å; L45-K47 PolarHBondContact O-N 3.18Å; L45-K47 VanDerWaalsContact O-N 3.15Å
46	F	24.9	Very low	26.7	Very low	173 Å²	173	157.1 Å²	157.1	76%	0.759	77%	0.768	S	S	*	*			trans	-77.2	92.5	159.9	-81.1	-84.4	0	0	0	108.6
47	K	26.3	Very low	26.7	Very low	141 Å²	141	160.2 Å²	160.2	61%	0.613	77%	0.774	S	S	*	*			trans	-123.4	129.9	160.7	-89.4	-161.4	170.1	-161.5	0	108.9	L45	L45-K47 PolarHBondContact O-N 3.18Å; L45-K47 VanDerWaalsContact O-N 3.15Å
48	D	25.4	Very low	26.9	Very low	139 Å²	139	159.7 Å²	159.7	74%	0.743	77%	0.769	S	S	*	*			trans	49.8	94	149.5	-43.1	-36.2	0	0	0	117.3
49	F	27.7	Very low	27.1	Very low	179 Å²	179	159.4 Å²	159.4	79%	0.785	77%	0.767	S	S	*	*			trans	-127.6	92.5	155.4	-95.6	-82.9	0	0	0	110.6	Y51	F49-Y51 HydrophobicContact CD1-CE2 4.46Å
50	E	24.6	Very low	27.5	Very low	189 Å²	189	158.3 Å²	158.3	88%	0.883	76%	0.762	S	S	*	*			trans	-60.2	133.2	153	-65.4	176.7	123.5	0	0	108.4
51	Y	30.8	Very low	27.9	Very low	206 Å²	206	158.2 Å²	158.2	81%	0.808	76%	0.757	S	S	*	*			trans	-105.8	102.4	170.6	-103.8	-82.8	0	0	0	110.5	F49	F49-Y51 HydrophobicContact CD1-CE2 4.46Å
52	D	29.6	Very low	28.2	Very low	150 Å²	150	163.9 Å²	163.9	80%	0.802	77%	0.771	S	S	*	*			trans	-75.4	138.3	173.7	-151.4	-0.5	0	0	0	110.3
53	H	26.3	Very low	28.8	Very low	181 Å²	181	160.4 Å²	160.4	84%	0.838	77%	0.766	S	S	*	*			trans	-92.5	133.6	177.9	-82.1	-41.4	0	0	0	111.2
54	P	29	Very low	29	Very low	110 Å²	110	154.3 Å²	154.3	71%	0.714	76%	0.755	S	S	*	*			trans	-142.6	121.2	142.1	21.9	0.2	0	0	0	117.1
55	T	33.4	Very low	29.4	Very low	123 Å²	123	157.8 Å²	157.8	76%	0.755	77%	0.767	S	S	*	*				76.8	101.9	117.2	-49.5	0	0	0	0	121.9
56	R	28.6	Very low	29.9	Very low	228 Å²	228	156.2 Å²	156.2	86%	0.86	76%	0.763	S	S	*	*			trans	41.6	119.9	131.9	-62.9	178.8	169.9	177.3	-3.2	121.5
57	H	32.2	Very low	30.4	Very low	186 Å²	186	155.9 Å²	155.9	86%	0.861	76%	0.764	S	S	*	*				-174.5	151.6	124.2	-87.8	-64.7	0	0	0	107.5
58	C	31	Very low	30.9	Very low	94 Å²	94	154.7 Å²	154.7	64%	0.635	76%	0.764	S	S	*	*			cis	-152.7	126.6	-13.5	-119	0	0	0	0	107.4
59	L	29.1	Very low	31.3	Very low	146 Å²	146	153.4 Å²	153.4	76%	0.764	76%	0.761	S	S	*	*				78.4	139	101.7	-90.5	176.9	0	0	0	117.8
60	N	32.8	Very low	31.7	Very low	127 Å²	127	153.1 Å²	153.1	68%	0.679	77%	0.767	S	S	*	*			trans	79.7	132.7	172.2	-51.1	-0	0	0	0	116.2
61	E	32.1	Very low	32	Very low	170 Å²	170	147.4 Å²	147.4	79%	0.794	76%	0.759	S	S	*	*			cis	-154.1	154.2	-3.9	-113.1	158.1	-142.9	0	0	110.3
62	W	31	Very low	32.1	Very low	238 Å²	238	144.1 Å²	144.1	90%	0.902	76%	0.76	S	S	*	*			trans	-119.5	161.7	-178.2	-113.9	26.2	0	0	0	108.7
63	P	35.3	Very low	32	Very low	117 Å²	117	143 Å²	143	76%	0.76	76%	0.759	S	S	*	*				-160.2	134.2	85.8	38	-15.1	0	0	0	120.4
64	S	29.5	Very low	32.3	Very low	80 Å²	80	140.2 Å²	140.2	56%	0.559	76%	0.76	S	S	*	*			trans	16.7	142.2	131.4	62.8	0	0	0	0	125.4
65	F	32.1	Very low	32.4	Very low	208 Å²	208	147 Å²	147	91%	0.912	77%	0.771	S	S	*	*			trans	-148.5	97.7	139.6	-105.1	-93.3	0	0	0	107.5
66	T	36.5	Very low	32	Very low	96 Å²	96	150.5 Å²	150.5	59%	0.589	78%	0.779	S	S	*	*				71.5	111.9	85.9	61.1	0	0	0	0	118.2
67	E	35.7	Very low	32	Very low	166 Å²	166	144.1 Å²	144.1	78%	0.776	78%	0.775	S	S	*	*			trans	72.6	147.3	136.8	-71.2	-172.3	-171.7	0	0	120.6
68	N	35.6	Very low	31.7	Very low	116 Å²	116	142.6 Å²	142.6	62%	0.62	77%	0.772	S	S	*	*			cis	-158.7	144.7	14	-121.6	-21.3	0	0	0	116.5
69	T	34.7	Very low	31.5	Very low	111 Å²	111	143.3 Å²	143.3	68%	0.681	78%	0.778	S	S	*	*			trans	63.2	128.7	142.3	50	0	0	0	0	127.9
70	L	34.9	Very low	31.5	Very low	173 Å²	173	147.9 Å²	147.9	91%	0.906	79%	0.785	S	S	*	*			trans	84.8	121.1	135.9	-98.2	87.3	0	0	0	123.7
71	G	31.1	Very low	31.3	Very low	70 Å²	70	148.8 Å²	148.8	72%	0.722	79%	0.79	S	S	*	*			trans	153.3	79	143.1	0	0	0	0	0	122.1
72	T	32.7	Very low	31.2	Very low	136 Å²	136	149.2 Å²	149.2	83%	0.834	79%	0.792	S	S	*	*			trans	75.6	96.5	143.2	-18.5	0	0	0	0	122.4
73	T	28.4	Very low	31.1	Very low	128 Å²	128	144.2 Å²	144.2	79%	0.785	78%	0.783	S	S	*	*			trans	20.5	121.2	144.7	62.6	0	0	0	0	122.7
74	S	33.3	Very low	30.8	Very low	121 Å²	121	148 Å²	148	85%	0.846	79%	0.787	S	S	*	*				-173	142.8	111.4	59.6	0	0	0	0	113.9
75	R	31.2	Very low	30.9	Very low	254 Å²	254	149.1 Å²	149.1	96%	0.958	79%	0.793	S	S	*	*			trans	50.4	116.6	163	-110.5	176.1	172.4	167.1	-3.2	120
76	E	25.1	Very low	30.8	Very low	195 Å²	195	143 Å²	143	91%	0.911	78%	0.776	S	S	*	*			trans	-70.8	137.7	176.5	-61.1	159.7	137.2	0	0	113.4
77	A	27.8	Very low	30.6	Very low	95 Å²	95	147.1 Å²	147.1	79%	0.785	79%	0.785	S	S	*	*			trans	-159.5	78.8	155.8	0	0	0	0	0	109.7
78	I	26.2	Very low	30.4	Very low	153 Å²	153	146.3 Å²	146.3	79%	0.785	78%	0.781	S	S	*	*			trans	26.8	103.8	158.9	-50.2	175.9	0	0	0	116.1	W80	I78-W80 PolarHBondContact O-N 3.37Å
79	S	26.9	Very low	30.2	Very low	109 Å²	109	145.3 Å²	145.3	76%	0.762	77%	0.773	S	S	*	*			trans	-70.9	124.4	165.4	55.2	0	0	0	0	110.6	N81	S79-N81 PolarHBondContact O-N 2.94Å
80	W	28.8	Very low	30.1	Very low	243 Å²	243	147.3 Å²	147.3	92%	0.92	78%	0.775	S	S	*	*			trans	-63.8	122.9	167.1	-70.6	79.9	0	0	0	108.9	I78 E82	I78-W80 PolarHBondContact O-N 3.37Å; W80-E82 PolarHBondContact O-N 2.83Å
81	N	28.4	Very low	29.8	Very low	146 Å²	146	143.2 Å²	143.2	78%	0.781	75%	0.752	S	S	*	*			trans	-83.1	109.9	-174.7	-159.6	19.5	0	0	0	109.1	S79 N83	S79-N81 PolarHBondContact O-N 2.94Å; N81-N83 PolarHBondContact O-N 3.35Å
82	E	30.5	Very low	29.8	Very low	179 Å²	179	143.4 Å²	143.4	84%	0.836	74%	0.736	S	S	*	*			trans	-69.9	88.3	175.6	-64.3	177.3	158.1	0	0	109.8	W80	W80-E82 PolarHBondContact O-N 2.83Å
83	N	29.3	Very low	30	Very low	133 Å²	133	140.8 Å²	140.8	71%	0.711	71%	0.714	S	S	*	*			trans	-171.2	139.5	158	-93.7	-52.9	0	0	0	110.6	N81	N81-N83 PolarHBondContact O-N 3.35Å
84	F	28.2	Very low	30.8	Very low	195 Å²	195	137 Å²	137	86%	0.855	69%	0.689	S	S	*	*	S	Bend	trans	73	125.8	-172.9	-57.4	-81.7	0	0	0	115.8	C86	F84-C86 PolarHBondContact O-N 2.94Å
85	P	30.7	Very low	31.7	Very low	105 Å²	105	135.7 Å²	135.7	68%	0.682	67%	0.668	S	S	*	*			trans	-65.9	124.7	164.4	29.3	-31.7	0	0	0	107.9
86	C	31.1	Very low	33.6	Very low	80 Å²	80	124.5 Å²	124.5	54%	0.541	63%	0.63	S	S	.	*			trans	-71.8	140.5	179.1	-161.2	0	0	0	0	108.9	F84 E88 E89	F84-C86 PolarHBondContact O-N 2.94Å; C86-E88 PolarHBondContact O-N 3.38Å; C86-E89 PolarHBondContact O-N 3.34Å
87	K	33	Very low	36.3	Very low	181 Å²	181	115.4 Å²	115.4	79%	0.787	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.2	-4.2	-175	-70.1	-176.6	169.4	-170.1	0	115.3	E89	K87-E89 VanDerWaalsContact C-N 3.34Å
88	E	29.9	Very low	39.1	Very low	150 Å²	150	114.2 Å²	114.2	70%	0.701	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.5	-18.2	173.3	-61.9	177	133.3	0	0	112.6	C86 M91	C86-E88 PolarHBondContact O-N 3.38Å; E88-M91 WeakPolarHBondContact O-CB 3.29Å; E88-M91 PolarHBondContact O-N 3.21Å
89	E	31	Very low	42.2	Very low	94 Å²	94	107 Å²	107	44%	0.439	53%	0.526	S	S	.	.	G	3₁₀ helix	trans	-80.2	-13.7	-179.6	-68.9	-173.2	132.8	0	0	114.4	C86 K87 M91 Y170	C86-E89 PolarHBondContact O-N 3.34Å; K87-E89 VanDerWaalsContact C-N 3.34Å; E89-M91 PolarHBondContact O-N 3.41Å; E89-Y170 WeakPolarHBondContact OE1-CE1 3.41Å
90	E	33	Very low	45.3	Very low	154 Å²	154	101.8 Å²	101.8	72%	0.72	49%	0.49	S	S	*	.	G	3₁₀ helix	trans	-69.6	-14	171.3	-69	-175.1	131.7	0	0	112.6	L92	E90-L92 VanDerWaalsContact C-N 3.28Å; E90-L92 PolarHBondContact O-N 2.9Å
91	M	29.4	Very low	48.1	Very low	86 Å²	86	91.7 Å²	91.7	42%	0.424	46%	0.456	S	S	.	.	G	3₁₀ helix	trans	-78.9	5.9	-172.8	-64.7	-171.5	52.5	0	0	116	E88 E89 L422	E88-M91 WeakPolarHBondContact O-CB 3.29Å; E88-M91 PolarHBondContact O-N 3.21Å; E89-M91 PolarHBondContact O-N 3.41Å; M91-L422 HydrophobicContact CE-CD1 4.44Å
92	L	30.9	Very low	50.8	Low	74 Å²	74	88.4 Å²	88.4	39%	0.387	43%	0.434	S	S	.	.	G	3₁₀ helix	trans	-95.4	-1.5	-179.5	-92.3	159.4	0	0	0	114.5	E90 K184	E90-L92 VanDerWaalsContact C-N 3.28Å; E90-L92 PolarHBondContact O-N 2.9Å; L92-K184 HydrophobicContact CD2-CB 4.24Å; L92-K184 HydrophobicContact CD2-CD 3.82Å
93	H	36.3	Very low	53.4	Low	81 Å²	81	80 Å²	80	38%	0.375	40%	0.395	S	S	.	.			trans	-106.8	9	-167.2	-65.4	-42.9	0	0	0	116.7	F95	H93-F95 PolarHBondContact O-N 2.87Å; H93-F95 VanDerWaalsContact O-N 3.08Å
94	D	45.1	Very low	55.8	Low	49 Å²	49	74.9 Å²	74.9	26%	0.262	37%	0.369	S	S	.	.			trans	-70.4	-2.1	-176	-78.9	-16.6	0	0	0	115.9
95	F	53.3	Low	58.7	Low	94 Å²	94	66.4 Å²	66.4	41%	0.412	33%	0.332	S	S	.	.	S	Bend	trans	-102.6	138.6	173.3	-71	-86.5	0	0	0	111.1	H93 V97 F425	H93-F95 PolarHBondContact O-N 2.87Å; H93-F95 VanDerWaalsContact O-N 3.08Å; F95-V97 PolarHBondContact O-N 2.66Å; F95-V97 VanDerWaalsContact O-N 3.11Å; F95-F425 HydrophobicContact CE1-CE1 4.5Å; F95-F425 HydrophobicContact CZ-CD1 4.34Å; F95-F425 HydrophobicContact CZ-CE1 4.44Å
96	A	69.8	Low	61.5	Low	18 Å²	18	62.3 Å²	62.3	15%	0.149	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-54.5	116.5	170	0	0	0	0	0	110.8	R519 T523	A96-R519 HydrophobicContact CB-CB 3.89Å; A96-T523 HydrophobicContact CB-CG2 3.92Å; A96-T523 WeakPolarHBondContact CB-OG1 3.36Å
97	V	82.6	Confident	64.2	Low	4 Å²	4	59.3 Å²	59.3	2%	0.024	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-70	133.4	-173.1	179.6	0	0	0	0	110.1	F95 T174 D176 K177 L499 V511 E516 S520	F95-V97 PolarHBondContact O-N 2.66Å; F95-V97 VanDerWaalsContact O-N 3.11Å; V97-T174 HydrophobicContact CG1-CG2 3.57Å; V97-T174 WeakPolarHBondContact CG1-OG1 3.39Å; V97-D176 HydrophobicContact CG1-CB 4.23Å; V97-K177 HydrophobicContact CG1-CG 4.4Å; V97-K177 HydrophobicContact CG2-CG 4.24Å; V97-L499 HydrophobicContact CG1-CD1 4.46Å; V97-V511 HydrophobicContact CB-CG1 4.34Å; V97-E516 HydrophobicContact CG2-CG 4.4Å; V97-E516 WeakPolarHBondContact CG2-OE1 3.06Å; V97-S520 PolarHBondContact N-OG 2.84Å; V97-S520 WeakPolarHBondContact O-CB 3.08Å; V97-S520 PolarHBondContact O-OG 2.68Å
98	R	87.1	Confident	66.8	Low	71 Å²	71	51.7 Å²	51.7	27%	0.268	25%	0.253	S	S	.	.	P	Polyproline II helix	trans	-97.4	134.4	177	-50.6	-161.5	-177.4	-178.2	6	110.5	K102 L103 D176	R98-K102 HydrophobicContact CB-CB 4.26Å; R98-K102 VanDerWaalsContact CD-O 3.27Å; R98-K102 WeakPolarHBondContact CD-O 3.09Å; R98-L103 HydrophobicContact CB-CD2 3.92Å; R98-L103 HydrophobicContact CB-CG 4.5Å; R98-D176 PolarHBondContact N-OD2 3.5Å; R98-D176 WeakPolarHBondContact O-CB 3.34Å
99	P	91.2	Very high	69.7	Low	1 Å²	1	47 Å²	47	1%	0.006	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-66.7	160.5	163	29.5	-33	0	0	0	110	C101 K102 L103 L499 P500 E509 F526	P99-C101 VanDerWaalsContact C-N 3.28Å; P99-C101 PolarHBondContact O-N 3.18Å; P99-K102 HydrophobicContact CG-CB 4.12Å; P99-K102 HydrophobicContact CG-CG 3.89Å; P99-K102 WeakPolarHBondContact O-CA 3.5Å; P99-K102 PolarHBondContact O-N 2.86Å; P99-L103 PolarHBondContact O-N 2.94Å; P99-L499 HydrophobicContact CB-CB 4.02Å; P99-L499 HydrophobicContact CB-CD1 4.14Å; P99-L499 HydrophobicContact CG-CB 4.44Å; P99-P500 WeakPolarHBondContact CB-O 3.48Å; P99-E509 VanDerWaalsContact CA-OE1 3.3Å; P99-E509 WeakPolarHBondContact CA-OE1 3.35Å; P99-F526 HydrophobicContact CG-CE1 3.85Å; P99-F526 HydrophobicContact CG-CZ 3.92Å
100	L	92.1	Very high	72.5	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-46.8	-48.8	-178	-178.7	61.2	0	0	0	112.3	K102 L103 Y106 L127 L129 V137 I175 E506 E509	L100-K102 PolarHBondContact O-N 3.29Å; L100-L103 HydrophobicContact CD1-CD1 4.21Å; L100-L103 WeakPolarHBondContact O-CB 2.97Å; L100-L103 PolarHBondContact O-N 2.63Å; L100-Y106 HydrophobicContact CD1-CD1 4.46Å; L100-Y106 HydrophobicContact CD1-CD2 3.49Å; L100-Y106 VanDerWaalsContact CD1-CD2 3.49Å; L100-Y106 HydrophobicContact CD1-CE2 3.89Å; L100-Y106 HydrophobicContact CD1-CG 3.79Å; L100-Y106 HydrophobicContact CD2-CD2 4.23Å; L100-Y106 HydrophobicContact CD2-CE2 3.73Å; L100-Y106 HydrophobicContact CG-CD1 4.11Å; L100-Y106 HydrophobicContact CG-CD2 3.69Å; L100-Y106 HydrophobicContact CG-CE1 4.03Å; L100-Y106 HydrophobicContact CG-CE2 3.63Å; L100-Y106 HydrophobicContact CG-CG 3.91Å; L100-Y106 WeakPolarHBondContact O-CB 3.45Å; L100-Y106 WeakPolarHBondContact O-CD1 3.34Å; L100-L127 HydrophobicContact CD1-CB 4.31Å; L100-L127 HydrophobicContact CD1-CD1 3.77Å; L100-L129 HydrophobicContact CD2-CD2 4Å; L100-V137 HydrophobicContact CD1-CG1 4.49Å; L100-V137 HydrophobicContact CD2-CG1 4.41Å; L100-V137 HydrophobicContact CD2-CG2 3.93Å; L100-I175 HydrophobicContact CB-CD1 4.19Å; L100-I175 HydrophobicContact CD1-CD1 4.16Å; L100-I175 HydrophobicContact CD1-CG2 4.36Å; L100-I175 HydrophobicContact CD2-CD1 3.98Å; L100-I175 HydrophobicContact CG-CD1 4.34Å; L100-E506 HydrophobicContact CD2-CG 4.38Å; L100-E509 WeakPolarHBondContact CB-OE1 3.29Å; L100-E509 PolarHBondContact N-OE1 2.97Å
101	C	88	Confident	75.2	Confident	31 Å²	31	40.3 Å²	40.3	21%	0.209	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-64.4	-4.7	178.2	65	0	0	0	0	115.9	P99 Y106 A502 E506	P99-C101 VanDerWaalsContact C-N 3.28Å; P99-C101 PolarHBondContact O-N 3.18Å; C101-Y106 HydrophobicContact CB-CE1 4.43Å; C101-A502 HydrophobicContact CB-CB 3.47Å; C101-A502 VanDerWaalsContact CB-CB 3.47Å; C101-E506 WeakPolarHBondContact CB-OE2 3.1Å
102	K	83.9	Confident	78.2	Confident	76 Å²	76	38.5 Å²	38.5	33%	0.33	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-119.7	6.5	177.3	-63.2	-75	-178.9	158.2	0	112.2	R98 P99 L100 C524	R98-K102 HydrophobicContact CB-CB 4.26Å; R98-K102 VanDerWaalsContact CD-O 3.27Å; R98-K102 WeakPolarHBondContact CD-O 3.09Å; P99-K102 HydrophobicContact CG-CB 4.12Å; P99-K102 HydrophobicContact CG-CG 3.89Å; P99-K102 WeakPolarHBondContact O-CA 3.5Å; P99-K102 PolarHBondContact O-N 2.86Å; L100-K102 PolarHBondContact O-N 3.29Å; K102-C524 HydrophobicContact CB-CB 4.25Å; K102-C524 HydrophobicContact CD-CB 4.17Å; K102-C524 WeakPolarHBondContact CE-O 3.42Å; K102-C524 HydrophobicContact CG-CB 3.97Å; K102-C524 PolarHBondContact NZ-O 2.84Å
103	L	85.1	Confident	81.1	Confident	4 Å²	4	40.7 Å²	40.7	2%	0.021	21%	0.206	C	C	.	.			trans	-78.3	127.2	171.4	-70.7	179	0	0	0	110.3	R98 P99 L100 Y105 Y106 L127 I175 D176	R98-L103 HydrophobicContact CB-CD2 3.92Å; R98-L103 HydrophobicContact CB-CG 4.5Å; P99-L103 PolarHBondContact O-N 2.94Å; L100-L103 HydrophobicContact CD1-CD1 4.21Å; L100-L103 WeakPolarHBondContact O-CB 2.97Å; L100-L103 PolarHBondContact O-N 2.63Å; L103-Y105 HydrophobicContact CB-CE2 4.35Å; L103-Y105 HydrophobicContact CD1-CE2 4Å; L103-Y105 HydrophobicContact CD2-CE1 4.2Å; L103-Y105 WeakPolarHBondContact CD2-OH 3.35Å; L103-Y105 PolarHBondContact O-N 2.85Å; L103-Y105 VanDerWaalsContact O-N 3.1Å; L103-Y106 PolarHBondContact O-N 2.8Å; L103-L127 HydrophobicContact CD1-CD1 3.67Å; L103-I175 HydrophobicContact CD1-CG2 4.39Å; L103-D176 HydrophobicContact CD1-CB 4.44Å; L103-D176 HydrophobicContact CD2-CB 3.89Å; L103-D176 WeakPolarHBondContact CD2-OD1 3.19Å
104	P	80.9	Confident	83.6	Confident	24 Å²	24	40.4 Å²	40.4	16%	0.156	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-25.3	-179.9	-25.5	34.5	0	0	0	114.6	I204 D205 F208	P104-I204 HydrophobicContact CB-CD1 3.75Å; P104-I204 HydrophobicContact CB-CG2 4.18Å; P104-I204 CarbonylContact O-C 3.58Å; P104-I204 VanDerWaalsContact O-CA 3.29Å; P104-I204 WeakPolarHBondContact O-CA 3.25Å; P104-I204 WeakPolarHBondContact O-CG2 3.44Å; P104-D205 PolarHBondContact O-N 3.42Å; P104-F208 HydrophobicContact CB-CD1 3.89Å; P104-F208 HydrophobicContact CB-CE1 3.71Å; P104-F208 HydrophobicContact CB-CE2 4.37Å; P104-F208 HydrophobicContact CB-CG 4.32Å; P104-F208 HydrophobicContact CB-CZ 3.98Å; P104-F208 HydrophobicContact CG-CD1 4.5Å; P104-F208 HydrophobicContact CG-CE1 3.84Å; P104-F208 HydrophobicContact CG-CE2 4.27Å; P104-F208 HydrophobicContact CG-CZ 3.72Å
105	Y	87.7	Confident	85.8	Confident	18 Å²	18	38.3 Å²	38.3	7%	0.071	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.6	21.2	-175.5	52.1	-95.1	0	0	0	113.2	L103 Y125 L127 I179 P202 L203	L103-Y105 HydrophobicContact CB-CE2 4.35Å; L103-Y105 HydrophobicContact CD1-CE2 4Å; L103-Y105 HydrophobicContact CD2-CE1 4.2Å; L103-Y105 WeakPolarHBondContact CD2-OH 3.35Å; L103-Y105 PolarHBondContact O-N 2.85Å; L103-Y105 VanDerWaalsContact O-N 3.1Å; Y105-Y125 HydrophobicContact CD2-CD2 4.48Å; Y105-Y125 AromaticContact CD2-CE2 3.9Å; Y105-Y125 HydrophobicContact CD2-CE2 3.9Å; Y105-Y125 AromaticContact CE2-CE2 3.98Å; Y105-Y125 HydrophobicContact CE2-CE2 3.98Å; Y105-Y125 HydrophobicContact CG-CE2 4.32Å; Y105-L127 HydrophobicContact CD2-CD1 4.07Å; Y105-L127 HydrophobicContact CD2-CG 4.09Å; Y105-L127 HydrophobicContact CE2-CD1 3.69Å; Y105-L127 HydrophobicContact CE2-CG 4.11Å; Y105-L127 PolarHBondContact O-N 2.94Å; Y105-I179 HydrophobicContact CE2-CG2 3.93Å; Y105-I179 WeakPolarHBondContact OH-CG2 3.32Å; Y105-P202 HydrophobicContact CD1-CB 3.57Å; Y105-P202 HydrophobicContact CE1-CB 4.41Å; Y105-P202 HydrophobicContact CG-CB 3.78Å; Y105-L203 VanDerWaalsContact CA-O 3.29Å; Y105-L203 WeakPolarHBondContact CA-O 3.49Å; Y105-L203 WeakPolarHBondContact CB-O 3.28Å
106	Y	90.2	Very high	87.6	Confident	18 Å²	18	36.7 Å²	36.7	7%	0.071	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	117.6	171.3	168	-118.3	0	0	0	109.9	L100 C101 L103 G108 L127 L129 E506	L100-Y106 HydrophobicContact CD1-CD1 4.46Å; L100-Y106 HydrophobicContact CD1-CD2 3.49Å; L100-Y106 VanDerWaalsContact CD1-CD2 3.49Å; L100-Y106 HydrophobicContact CD1-CE2 3.89Å; L100-Y106 HydrophobicContact CD1-CG 3.79Å; L100-Y106 HydrophobicContact CD2-CD2 4.23Å; L100-Y106 HydrophobicContact CD2-CE2 3.73Å; L100-Y106 HydrophobicContact CG-CD1 4.11Å; L100-Y106 HydrophobicContact CG-CD2 3.69Å; L100-Y106 HydrophobicContact CG-CE1 4.03Å; L100-Y106 HydrophobicContact CG-CE2 3.63Å; L100-Y106 HydrophobicContact CG-CG 3.91Å; L100-Y106 WeakPolarHBondContact O-CB 3.45Å; L100-Y106 WeakPolarHBondContact O-CD1 3.34Å; C101-Y106 HydrophobicContact CB-CE1 4.43Å; L103-Y106 PolarHBondContact O-N 2.8Å; Y106-G108 VanDerWaalsContact C-N 3.29Å; Y106-G108 WeakPolarHBondContact CE2-O 3.01Å; Y106-G108 PolarHBondContact O-N 3.42Å; Y106-L127 CarbonylContact C-O 3.59Å; Y106-L127 WeakPolarHBondContact CA-O 3.21Å; Y106-L127 HydrophobicContact CD2-CB 4.18Å; Y106-L129 HydrophobicContact CE2-CG 4.15Å; Y106-L129 WeakPolarHBondContact OH-CD1 3.31Å; Y106-L129 WeakPolarHBondContact OH-CG 3.19Å; Y106-E506 VanDerWaalsContact CE1-OE1 3.24Å; Y106-E506 WeakPolarHBondContact CE1-OE1 3.41Å; Y106-E506 WeakPolarHBondContact OH-CG 3.36Å; Y106-E506 PolarHBondContact OH-OE1 2.81Å
107	H	88.7	Confident	88.5	Confident	17 Å²	17	43.9 Å²	43.9	8%	0.079	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	31.3	-173	-68.1	-126.6	0	0	0	111.8	L115 L127 L203 D205	H107-L115 HydrophobicContact CB-CD2 4.29Å; H107-L127 PolarHBondContact N-O 3.13Å; H107-L203 PolarHBondContact NE2-O 3.13Å; H107-D205 WeakPolarHBondContact CA-OD2 3.44Å
108	G	87.8	Confident	88.7	Confident	21 Å²	21	46.2 Å²	46.2	22%	0.216	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	60.5	-147.9	179.1	0	0	0	0	0	114.8	Y106 F128 L129	Y106-G108 VanDerWaalsContact C-N 3.29Å; Y106-G108 WeakPolarHBondContact CE2-O 3.01Å; Y106-G108 PolarHBondContact O-N 3.42Å; G108-F128 CarbonylContact O-C 3.49Å; G108-F128 WeakPolarHBondContact O-CA 3.32Å; G108-F128 WeakPolarHBondContact O-CB 3.24Å; G108-L129 PolarHBondContact O-N 3.19Å
109	C	90.1	Very high	88.8	Confident	51 Å²	51	42.8 Å²	42.8	35%	0.345	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	119.7	174.2	172.6	0	0	0	0	110.1	L129 Y135 R505	C109-L129 HydrophobicContact CB-CB 4.41Å; C109-Y135 VanDerWaalsContact SG-CE1 3.54Å; C109-R505 PolarHBondContact SG-NH1 2.81Å; C109-R505 VanDerWaalsContact SG-NH1 3.45Å
110	N	89.3	Confident	88.7	Confident	43 Å²	43	46.7 Å²	46.7	23%	0.23	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	177.8	-175.5	-140.1	-40.7	0	0	0	112.3	N114 L115 F128 L129 S131	N110-N114 VanDerWaalsContact OD1-CB 3.28Å; N110-N114 WeakPolarHBondContact OD1-CB 3.5Å; N110-N114 PolarHBondContact OD1-ND2 2.94Å; N110-L115 HydrophobicContact CB-CD1 3.82Å; N110-L115 HydrophobicContact CB-CG 4.21Å; N110-F128 HydrophobicContact CB-CD2 4.1Å; N110-L129 PolarHBondContact N-O 3.4Å; N110-L129 VanDerWaalsContact O-O 3.07Å; N110-S131 PolarHBondContact O-N 3.31Å; N110-S131 PolarHBondContact O-OG 2.97Å
111	K	90.7	Very high	88.4	Confident	66 Å²	66	49.8 Å²	49.8	29%	0.287	26%	0.264	S	S	.	.			trans	-102.5	144.5	169.3	-66.3	169.9	143.4	-85.7	0	109.4	E113 N114 S131 D132	K111-E113 HydrophobicContact CB-CG 3.92Å; K111-E113 HydrophobicContact CD-CG 4.47Å; K111-E113 WeakPolarHBondContact CD-OE1 3.38Å; K111-E113 IonicContact NZ-OE1 2.79Å; K111-E113 PolarHBondContact NZ-OE1 2.94Å; K111-E113 PolarHBondContact O-N 3.02Å; K111-N114 PolarHBondContact O-N 3.37Å; K111-N114 VanDerWaalsContact O-N 3.13Å; K111-S131 WeakPolarHBondContact CG-OG 3.23Å; K111-D132 WeakPolarHBondContact CG-OD2 3.36Å; K111-D132 IonicContact NZ-OD1 2.65Å; K111-D132 PolarHBondContact NZ-OD1 3.49Å; K111-D132 IonicContact NZ-OD2 3.95Å; K111-D132 PolarHBondContact NZ-OD2 2.83Å
112	L	91.4	Very high	88.5	Confident	47 Å²	47	50.7 Å²	50.7	25%	0.246	27%	0.268	C	S	.	.	H	α-helix	trans	-51.9	-42.6	176.3	178.3	59.1	0	0	0	112.2	N114 L115 T116 F128 L140	L112-N114 VanDerWaalsContact C-N 3.28Å; L112-N114 PolarHBondContact O-N 3.42Å; L112-L115 PolarHBondContact O-N 3.12Å; L112-L115 VanDerWaalsContact O-N 3.09Å; L112-T116 HydrophobicContact CD1-CG2 4.47Å; L112-T116 HydrophobicContact CG-CG2 4.39Å; L112-T116 WeakPolarHBondContact O-CG2 3.46Å; L112-T116 PolarHBondContact O-N 3.18Å; L112-F128 HydrophobicContact CB-CZ 4.2Å; L112-F128 HydrophobicContact CD1-CZ 4.04Å; L112-L140 HydrophobicContact CD1-CD1 3.56Å; L112-L140 HydrophobicContact CD1-CD2 4.48Å
113	E	91.7	Very high	88.6	Confident	121 Å²	121	47.1 Å²	47.1	57%	0.565	25%	0.252	S	S	*	.	H	α-helix	trans	-54.6	-41.1	-179.5	63.4	-172.7	160.4	0	0	113.1	K111 L115 T116	K111-E113 HydrophobicContact CB-CG 3.92Å; K111-E113 HydrophobicContact CD-CG 4.47Å; K111-E113 WeakPolarHBondContact CD-OE1 3.38Å; K111-E113 IonicContact NZ-OE1 2.79Å; K111-E113 PolarHBondContact NZ-OE1 2.94Å; K111-E113 PolarHBondContact O-N 3.02Å; E113-L115 VanDerWaalsContact C-N 3.29Å; E113-L115 PolarHBondContact O-N 2.65Å; E113-T116 PolarHBondContact O-OG1 3.16Å
114	N	90.1	Very high	88.9	Confident	74 Å²	74	48 Å²	48	40%	0.396	26%	0.257	S	S	.	.	H	α-helix	trans	-71.9	-17.4	-178.7	-65.2	-20.9	0	0	0	114.1	N110 K111 L112 Y117	N110-N114 VanDerWaalsContact OD1-CB 3.28Å; N110-N114 WeakPolarHBondContact OD1-CB 3.5Å; N110-N114 PolarHBondContact OD1-ND2 2.94Å; K111-N114 PolarHBondContact O-N 3.37Å; K111-N114 VanDerWaalsContact O-N 3.13Å; L112-N114 VanDerWaalsContact C-N 3.28Å; L112-N114 PolarHBondContact O-N 3.42Å; N114-Y117 WeakPolarHBondContact O-CE1 3.34Å; N114-Y117 VanDerWaalsContact O-CZ 3.31Å; N114-Y117 PolarHBondContact O-OH 3.37Å
115	L	90.2	Very high	89.6	Confident	5 Å²	5	47 Å²	47	3%	0.026	25%	0.25	C	C	.	.	H	α-helix	trans	-107.6	-10.4	-176.3	-60.4	176.6	0	0	0	112.5	H107 N110 L112 E113 Y117 L118 P119 L126 F128 L140	H107-L115 HydrophobicContact CB-CD2 4.29Å; N110-L115 HydrophobicContact CB-CD1 3.82Å; N110-L115 HydrophobicContact CB-CG 4.21Å; L112-L115 PolarHBondContact O-N 3.12Å; L112-L115 VanDerWaalsContact O-N 3.09Å; E113-L115 VanDerWaalsContact C-N 3.29Å; E113-L115 PolarHBondContact O-N 2.65Å; L115-Y117 PolarHBondContact O-N 2.88Å; L115-Y117 VanDerWaalsContact O-N 3.08Å; L115-L118 HydrophobicContact CB-CD1 4.46Å; L115-L118 HydrophobicContact CD2-CD1 3.54Å; L115-L118 PolarHBondContact O-N 3.32Å; L115-P119 WeakPolarHBondContact O-CD 3.5Å; L115-L126 HydrophobicContact CD1-CD1 3.89Å; L115-F128 HydrophobicContact CD1-CB 3.66Å; L115-F128 HydrophobicContact CD1-CD1 3.57Å; L115-F128 HydrophobicContact CD1-CD2 3.62Å; L115-F128 HydrophobicContact CD1-CE1 4.09Å; L115-F128 HydrophobicContact CD1-CE2 4.11Å; L115-F128 HydrophobicContact CD1-CG 3.33Å; L115-F128 HydrophobicContact CD1-CZ 4.34Å; L115-L140 HydrophobicContact CB-CD2 3.77Å; L115-L140 WeakPolarHBondContact O-CD2 3.42Å
116	T	90.3	Very high	89.8	Confident	60 Å²	60	46.2 Å²	46.2	37%	0.368	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-25.1	-174.3	57	0	0	0	0	115.5	L112 E113 L148	L112-T116 HydrophobicContact CD1-CG2 4.47Å; L112-T116 HydrophobicContact CG-CG2 4.39Å; L112-T116 WeakPolarHBondContact O-CG2 3.46Å; L112-T116 PolarHBondContact O-N 3.18Å; E113-T116 PolarHBondContact O-OG1 3.16Å; T116-L148 HydrophobicContact CG2-CD2 3.8Å; T116-L148 WeakPolarHBondContact O-CD2 3.48Å
117	Y	89.1	Confident	90.1	Very high	169 Å²	169	45.3 Å²	45.3	66%	0.663	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88	-12	180	62.2	-100.2	0	0	0	114	N114 L115	N114-Y117 WeakPolarHBondContact O-CE1 3.34Å; N114-Y117 VanDerWaalsContact O-CZ 3.31Å; N114-Y117 PolarHBondContact O-OH 3.37Å; L115-Y117 PolarHBondContact O-N 2.88Å; L115-Y117 VanDerWaalsContact O-N 3.08Å
118	L	88.3	Confident	90.3	Very high	53 Å²	53	44.5 Å²	44.5	28%	0.277	24%	0.239	S	C	.	.	S	Bend	trans	-73.3	-50.8	-174.3	-65.2	171.4	0	0	0	112.5	L115 S120 L126 L203	L115-L118 HydrophobicContact CB-CD1 4.46Å; L115-L118 HydrophobicContact CD2-CD1 3.54Å; L115-L118 PolarHBondContact O-N 3.32Å; L118-S120 PolarHBondContact O-N 2.83Å; L118-S120 VanDerWaalsContact O-N 3.14Å; L118-L126 HydrophobicContact CB-CD2 4.06Å; L118-L126 HydrophobicContact CD1-CD2 3.78Å; L118-L203 HydrophobicContact CB-CD1 4.17Å
119	P	89	Confident	90.5	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.229	C	C	.	.			trans	-71.3	113.1	174.4	-15.7	32.5	0	0	0	109.9	L115 E124 L140 R142 L148 L203	L115-P119 WeakPolarHBondContact O-CD 3.5Å; P119-E124 HydrophobicContact CB-CB 4.03Å; P119-L140 HydrophobicContact CG-CD2 4.05Å; P119-L140 HydrophobicContact CG-CG 4.19Å; P119-R142 HydrophobicContact CB-CB 4.11Å; P119-R142 PolarHBondContact O-NE 2.97Å; P119-R142 PolarHBondContact O-NH2 3.36Å; P119-L148 HydrophobicContact CB-CD1 3.89Å; P119-L148 HydrophobicContact CG-CD1 3.74Å; P119-L203 HydrophobicContact CB-CD1 3.97Å; P119-L203 HydrophobicContact CG-CD1 3.67Å
120	S	87.5	Confident	90.8	Very high	83 Å²	83	41.7 Å²	41.7	58%	0.58	22%	0.216	S	C	*	.			trans	-105.5	-31.9	-178.1	72.3	0	0	0	0	112.9	L118 E124	L118-S120 PolarHBondContact O-N 2.83Å; L118-S120 VanDerWaalsContact O-N 3.14Å; S120-E124 WeakPolarHBondContact CA-OE2 3.32Å; S120-E124 PolarHBondContact N-OE2 3.16Å; S120-E124 PolarHBondContact OG-OE2 3.18Å
121	T	87	Confident	90.9	Very high	65 Å²	65	41.4 Å²	41.4	40%	0.399	22%	0.217	S	C	.	.	S	Bend	trans	-116.6	162.2	-178.9	80.5	0	0	0	0	113.6	G123 E124 R142	T121-G123 PolarHBondContact O-N 2.8Å; T121-E124 WeakPolarHBondContact CB-OE1 3.45Å; T121-E124 WeakPolarHBondContact CG2-OE1 3.45Å; T121-E124 PolarHBondContact N-OE2 3.04Å; T121-E124 WeakPolarHBondContact O-CB 3.46Å; T121-E124 PolarHBondContact O-N 3.21Å; T121-E124 WeakPolarHBondContact OG1-CG 3.28Å; T121-E124 PolarHBondContact OG1-OE1 2.97Å; T121-R142 WeakPolarHBondContact O-CB 3.45Å
122	V	89.6	Confident	90.9	Very high	50 Å²	50	43.1 Å²	43.1	30%	0.303	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	124.7	-176.7	167.7	0	0	0	0	111	E124 D143	V122-E124 VanDerWaalsContact C-N 3.33Å; V122-D143 WeakPolarHBondContact CG1-O 3.5Å; V122-D143 WeakPolarHBondContact CG2-O 3.39Å
123	G	87.1	Confident	90.9	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.9	6.5	-177.4	0	0	0	0	0	114.9	T121 R142 R198 R200 Y201	T121-G123 PolarHBondContact O-N 2.8Å; G123-R142 PolarHBondContact N-O 2.81Å; G123-R198 WeakPolarHBondContact CA-O 3.14Å; G123-R200 PolarHBondContact O-N 3.26Å; G123-Y201 PolarHBondContact O-N 3.1Å
124	E	91.2	Very high	90.9	Very high	24 Å²	24	45.6 Å²	45.6	11%	0.112	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	135.8	160.4	-82	167.6	-160	0	0	110.3	P119 S120 T121 V122 V141 R142 Y201 L203	P119-E124 HydrophobicContact CB-CB 4.03Å; S120-E124 WeakPolarHBondContact CA-OE2 3.32Å; S120-E124 PolarHBondContact N-OE2 3.16Å; S120-E124 PolarHBondContact OG-OE2 3.18Å; T121-E124 WeakPolarHBondContact CB-OE1 3.45Å; T121-E124 WeakPolarHBondContact CG2-OE1 3.45Å; T121-E124 PolarHBondContact N-OE2 3.04Å; T121-E124 WeakPolarHBondContact O-CB 3.46Å; T121-E124 PolarHBondContact O-N 3.21Å; T121-E124 WeakPolarHBondContact OG1-CG 3.28Å; T121-E124 PolarHBondContact OG1-OE1 2.97Å; V122-E124 VanDerWaalsContact C-N 3.33Å; E124-V141 WeakPolarHBondContact O-CA 3.38Å; E124-R142 PolarHBondContact O-N 3.03Å; E124-Y201 VanDerWaalsContact CA-O 3.28Å; E124-Y201 WeakPolarHBondContact CA-O 3.42Å; E124-Y201 HydrophobicContact CG-CD2 4.24Å; E124-Y201 HydrophobicContact CG-CG 4.38Å; E124-L203 HydrophobicContact CB-CD1 4.18Å; E124-L203 HydrophobicContact CB-CD2 4.18Å; E124-L203 HydrophobicContact CB-CG 4.14Å; E124-L203 HydrophobicContact CG-CD2 3.92Å; E124-L203 HydrophobicContact CG-CG 4.37Å
125	Y	94.1	Very high	91	Very high	3 Å²	3	46.4 Å²	46.4	1%	0.012	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	155.5	-177.1	72.6	-83.7	0	0	0	113.6	Y105 L139 L140 I179 Y183 L199 Y201 P202 L203	Y105-Y125 HydrophobicContact CD2-CD2 4.48Å; Y105-Y125 AromaticContact CD2-CE2 3.9Å; Y105-Y125 HydrophobicContact CD2-CE2 3.9Å; Y105-Y125 AromaticContact CE2-CE2 3.98Å; Y105-Y125 HydrophobicContact CE2-CE2 3.98Å; Y105-Y125 HydrophobicContact CG-CE2 4.32Å; Y125-L139 HydrophobicContact CD2-CD1 3.95Å; Y125-L139 HydrophobicContact CG-CD1 4.4Å; Y125-L140 CarbonylContact C-O 3.57Å; Y125-L140 WeakPolarHBondContact CA-O 3.43Å; Y125-L140 WeakPolarHBondContact CB-O 3.39Å; Y125-I179 HydrophobicContact CE2-CG2 3.92Å; Y125-Y183 HydrophobicContact CE1-CD2 4.11Å; Y125-Y183 HydrophobicContact CE1-CE2 4.45Å; Y125-L199 HydrophobicContact CD1-CB 3.82Å; Y125-L199 HydrophobicContact CD1-CD2 4.03Å; Y125-L199 HydrophobicContact CD1-CG 4.44Å; Y125-L199 HydrophobicContact CD2-CD1 4.47Å; Y125-L199 HydrophobicContact CD2-CD2 4.15Å; Y125-L199 HydrophobicContact CE1-CB 3.68Å; Y125-L199 HydrophobicContact CE2-CD1 4.35Å; Y125-L199 HydrophobicContact CG-CB 4.35Å; Y125-L199 HydrophobicContact CG-CD2 3.77Å; Y125-L199 HydrophobicContact CG-CG 4.5Å; Y125-Y201 WeakPolarHBondContact CD1-O 3.3Å; Y125-Y201 PolarHBondContact N-O 2.8Å; Y125-P202 HydrophobicContact CE1-CB 4.01Å; Y125-P202 HydrophobicContact CE1-CG 4.45Å; Y125-P202 VanDerWaalsContact CE1-N 3.35Å; Y125-P202 HydrophobicContact CE2-CB 4.19Å; Y125-L203 PolarHBondContact O-N 3.36Å
126	L	93.5	Very high	91.2	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	165	170.6	57.5	79.2	0	0	0	111.1	L115 L118 F128 L140 L203	L115-L126 HydrophobicContact CD1-CD1 3.89Å; L118-L126 HydrophobicContact CB-CD2 4.06Å; L118-L126 HydrophobicContact CD1-CD2 3.78Å; L126-F128 HydrophobicContact CD1-CD1 3.77Å; L126-F128 HydrophobicContact CD1-CE1 4.44Å; L126-L140 HydrophobicContact CD1-CB 3.6Å; L126-L140 HydrophobicContact CD1-CD2 4.12Å; L126-L140 HydrophobicContact CD1-CG 4.49Å; L126-L140 HydrophobicContact CG-CB 4.05Å; L126-L140 HydrophobicContact CG-CD2 4.4Å; L126-L140 PolarHBondContact N-O 3.47Å; L126-L140 PolarHBondContact O-N 3.27Å; L126-L203 HydrophobicContact CB-CB 4.31Å; L126-L203 HydrophobicContact CD2-CD1 4.07Å
127	L	94.9	Very high	91.4	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	149.6	169.7	-64.3	176.1	0	0	0	110.3	L100 L103 Y105 Y106 H107 T138 L139 I153 I175 I179	L100-L127 HydrophobicContact CD1-CB 4.31Å; L100-L127 HydrophobicContact CD1-CD1 3.77Å; L103-L127 HydrophobicContact CD1-CD1 3.67Å; Y105-L127 HydrophobicContact CD2-CD1 4.07Å; Y105-L127 HydrophobicContact CD2-CG 4.09Å; Y105-L127 HydrophobicContact CE2-CD1 3.69Å; Y105-L127 HydrophobicContact CE2-CG 4.11Å; Y105-L127 PolarHBondContact O-N 2.94Å; Y106-L127 CarbonylContact C-O 3.59Å; Y106-L127 WeakPolarHBondContact CA-O 3.21Å; Y106-L127 HydrophobicContact CD2-CB 4.18Å; H107-L127 PolarHBondContact N-O 3.13Å; L127-T138 WeakPolarHBondContact CA-O 3.5Å; L127-L139 HydrophobicContact CD2-CB 4.05Å; L127-L139 HydrophobicContact CD2-CD1 4.07Å; L127-I153 HydrophobicContact CD2-CD1 3.81Å; L127-I175 HydrophobicContact CD1-CG2 3.64Å; L127-I179 HydrophobicContact CD1-CG1 4.26Å; L127-I179 HydrophobicContact CD2-CD1 4.15Å; L127-I179 HydrophobicContact CD2-CG1 4.45Å
128	F	93.4	Very high	91.8	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	162.6	168.9	68	-70.3	0	0	0	110.1	G108 N110 L112 L115 L126 D130 T138 L140	G108-F128 CarbonylContact O-C 3.49Å; G108-F128 WeakPolarHBondContact O-CA 3.32Å; G108-F128 WeakPolarHBondContact O-CB 3.24Å; N110-F128 HydrophobicContact CB-CD2 4.1Å; L112-F128 HydrophobicContact CB-CZ 4.2Å; L112-F128 HydrophobicContact CD1-CZ 4.04Å; L115-F128 HydrophobicContact CD1-CB 3.66Å; L115-F128 HydrophobicContact CD1-CD1 3.57Å; L115-F128 HydrophobicContact CD1-CD2 3.62Å; L115-F128 HydrophobicContact CD1-CE1 4.09Å; L115-F128 HydrophobicContact CD1-CE2 4.11Å; L115-F128 HydrophobicContact CD1-CG 3.33Å; L115-F128 HydrophobicContact CD1-CZ 4.34Å; L126-F128 HydrophobicContact CD1-CD1 3.77Å; L126-F128 HydrophobicContact CD1-CE1 4.44Å; F128-D130 HydrophobicContact CD2-CB 4.19Å; F128-D130 HydrophobicContact CE2-CB 3.51Å; F128-D130 HydrophobicContact CZ-CB 4.04Å; F128-T138 HydrophobicContact CD1-CG2 4.46Å; F128-T138 VanDerWaalsContact CD1-O 3.3Å; F128-T138 WeakPolarHBondContact CD1-O 3.44Å; F128-T138 HydrophobicContact CE1-CG2 3.54Å; F128-T138 HydrophobicContact CZ-CG2 3.71Å; F128-T138 PolarHBondContact N-O 2.81Å; F128-T138 VanDerWaalsContact N-O 3.1Å; F128-T138 PolarHBondContact O-N 1.85Å; F128-L140 HydrophobicContact CE1-CB 4.12Å
129	L	93.1	Very high	92.1	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	120.6	162.5	-55.8	175.9	0	0	0	108.1	L100 Y106 G108 C109 N110 S131 Y135 V137 R505 E506	L100-L129 HydrophobicContact CD2-CD2 4Å; Y106-L129 HydrophobicContact CE2-CG 4.15Å; Y106-L129 WeakPolarHBondContact OH-CD1 3.31Å; Y106-L129 WeakPolarHBondContact OH-CG 3.19Å; G108-L129 PolarHBondContact O-N 3.19Å; C109-L129 HydrophobicContact CB-CB 4.41Å; N110-L129 PolarHBondContact N-O 3.4Å; N110-L129 VanDerWaalsContact O-O 3.07Å; L129-S131 PolarHBondContact O-N 3.25Å; L129-Y135 WeakPolarHBondContact CD2-O 3.44Å; L129-V137 HydrophobicContact CD2-CB 4.5Å; L129-V137 HydrophobicContact CD2-CG2 3.66Å; L129-R505 HydrophobicContact CD1-CB 4.23Å; L129-E506 HydrophobicContact CD1-CG 3.86Å
130	D	94.4	Very high	92.4	Very high	13 Å²	13	37.6 Å²	37.6	7%	0.07	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	104.7	-178.5	-167.2	-15.8	0	0	0	111.1	F128 D132 A133 Y135 E136	F128-D130 HydrophobicContact CD2-CB 4.19Å; F128-D130 HydrophobicContact CE2-CB 3.51Å; F128-D130 HydrophobicContact CZ-CB 4.04Å; D130-D132 PolarHBondContact O-N 3.15Å; D130-D132 PolarHBondContact OD1-N 2.86Å; D130-A133 HydrophobicContact CB-CB 4.06Å; D130-A133 CarbonylContact O-C 3.46Å; D130-A133 PolarHBondContact O-N 3.08Å; D130-Y135 VanDerWaalsContact O-CA 3.27Å; D130-Y135 WeakPolarHBondContact O-CA 3.49Å; D130-Y135 PolarHBondContact O-N 2.89Å; D130-E136 PolarHBondContact N-O 3.34Å
131	S	91.8	Very high	92.7	Very high	37 Å²	37	33.7 Å²	33.7	26%	0.259	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-17	-179.7	58.2	0	0	0	0	114.7	N110 K111 L129	N110-S131 PolarHBondContact O-N 3.31Å; N110-S131 PolarHBondContact O-OG 2.97Å; K111-S131 WeakPolarHBondContact CG-OG 3.23Å; L129-S131 PolarHBondContact O-N 3.25Å
132	D	92.3	Very high	92.9	Very high	102 Å²	102	33.5 Å²	33.5	55%	0.545	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-11	172.6	-68.2	-42.1	0	0	0	112.4	K111 D130	K111-D132 WeakPolarHBondContact CG-OD2 3.36Å; K111-D132 IonicContact NZ-OD1 2.65Å; K111-D132 PolarHBondContact NZ-OD1 3.49Å; K111-D132 IonicContact NZ-OD2 3.95Å; K111-D132 PolarHBondContact NZ-OD2 2.83Å; D130-D132 PolarHBondContact O-N 3.15Å; D130-D132 PolarHBondContact OD1-N 2.86Å
133	A	91.2	Very high	92.9	Very high	39 Å²	39	31.1 Å²	31.1	32%	0.322	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121	52.8	177.8	0	0	0	0	0	111.8	D130 Y135 E136	D130-A133 HydrophobicContact CB-CB 4.06Å; D130-A133 CarbonylContact O-C 3.46Å; D130-A133 PolarHBondContact O-N 3.08Å; A133-Y135 PolarHBondContact O-N 3.39Å; A133-E136 WeakPolarHBondContact O-CB 3.25Å; A133-E136 WeakPolarHBondContact O-CG 3.31Å; A133-E136 PolarHBondContact O-N 3.42Å
134	E	92	Very high	92.8	Very high	181 Å²	181	33.7 Å²	33.7	85%	0.846	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.8	25	175	-57.5	-167.2	167.1	0	0	115.7	E136	E134-E136 VanDerWaalsContact C-N 3.31Å
135	Y	91	Very high	92.6	Very high	91 Å²	91	39.7 Å²	39.7	36%	0.357	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.6	23.1	-174.9	-47.5	-74.4	0	0	0	114.9	C109 L129 D130 A133 R505	C109-Y135 VanDerWaalsContact SG-CE1 3.54Å; L129-Y135 WeakPolarHBondContact CD2-O 3.44Å; D130-Y135 VanDerWaalsContact O-CA 3.27Å; D130-Y135 WeakPolarHBondContact O-CA 3.49Å; D130-Y135 PolarHBondContact O-N 2.89Å; A133-Y135 PolarHBondContact O-N 3.39Å; Y135-R505 HydrophobicContact CD2-CG 4.12Å; Y135-R505 HydrophobicContact CE2-CG 4.45Å; Y135-R505 HydrophobicContact CG-CB 4.31Å; Y135-R505 HydrophobicContact CG-CG 4.3Å
136	E	94	Very high	92.1	Very high	92 Å²	92	40.6 Å²	40.6	43%	0.43	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	137.5	170.2	-75.6	-66.7	164.6	0	0	111.6	D130 A133 E134 T138 T152	D130-E136 PolarHBondContact N-O 3.34Å; A133-E136 WeakPolarHBondContact O-CB 3.25Å; A133-E136 WeakPolarHBondContact O-CG 3.31Å; A133-E136 PolarHBondContact O-N 3.42Å; E134-E136 VanDerWaalsContact C-N 3.31Å; E136-T138 PolarHBondContact O-N 2.59Å; E136-T138 PolarHBondContact O-OG1 3.18Å; E136-T152 HydrophobicContact CB-CG2 3.84Å; E136-T152 HydrophobicContact CG-CG2 4.2Å
137	V	95.8	Very high	91.9	Very high	6 Å²	6	44.6 Å²	44.6	4%	0.036	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	118.2	178.5	-177.8	0	0	0	0	108.5	L100 L129 I153 I175 P507	L100-V137 HydrophobicContact CD1-CG1 4.49Å; L100-V137 HydrophobicContact CD2-CG1 4.41Å; L100-V137 HydrophobicContact CD2-CG2 3.93Å; L129-V137 HydrophobicContact CD2-CB 4.5Å; L129-V137 HydrophobicContact CD2-CG2 3.66Å; V137-I153 HydrophobicContact CB-CB 4.31Å; V137-I153 HydrophobicContact CG1-CB 4.38Å; V137-I153 HydrophobicContact CG1-CD1 3.97Å; V137-I153 HydrophobicContact CG1-CG1 4.44Å; V137-I153 PolarHBondContact O-N 2.98Å; V137-I175 HydrophobicContact CG1-CD1 4.09Å; V137-I175 HydrophobicContact CG2-CD1 3.95Å; V137-P507 HydrophobicContact CG2-CG 3.71Å
138	T	95.8	Very high	91.7	Very high	3 Å²	3	47 Å²	47	2%	0.018	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	124.5	-174.8	-61.9	0	0	0	0	110.7	L127 F128 E136	L127-T138 WeakPolarHBondContact CA-O 3.5Å; F128-T138 HydrophobicContact CD1-CG2 4.46Å; F128-T138 VanDerWaalsContact CD1-O 3.3Å; F128-T138 WeakPolarHBondContact CD1-O 3.44Å; F128-T138 HydrophobicContact CE1-CG2 3.54Å; F128-T138 HydrophobicContact CZ-CG2 3.71Å; F128-T138 PolarHBondContact N-O 2.81Å; F128-T138 VanDerWaalsContact N-O 3.1Å; F128-T138 PolarHBondContact O-N 1.85Å; E136-T138 PolarHBondContact O-N 2.59Å; E136-T138 PolarHBondContact O-OG1 3.18Å
139	L	96.1	Very high	91.5	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	115.8	167.7	170.8	65.3	0	0	0	108.6	Y125 L127 V141 S150 I151 I153 L163 I179 I189 L199	Y125-L139 HydrophobicContact CD2-CD1 3.95Å; Y125-L139 HydrophobicContact CG-CD1 4.4Å; L127-L139 HydrophobicContact CD2-CB 4.05Å; L127-L139 HydrophobicContact CD2-CD1 4.07Å; L139-V141 HydrophobicContact CG-CG1 4.5Å; L139-S150 CarbonylContact O-C 3.54Å; L139-S150 WeakPolarHBondContact O-CA 3.46Å; L139-I151 HydrophobicContact CB-CB 4.43Å; L139-I151 HydrophobicContact CD2-CD1 4.34Å; L139-I151 PolarHBondContact N-O 2.8Å; L139-I151 PolarHBondContact O-N 3.44Å; L139-I153 HydrophobicContact CB-CD1 4.47Å; L139-I153 HydrophobicContact CB-CG1 4.48Å; L139-L163 HydrophobicContact CD2-CD1 4.04Å; L139-L163 HydrophobicContact CD2-CD2 3.97Å; L139-I179 HydrophobicContact CD1-CD1 4.37Å; L139-I179 HydrophobicContact CD2-CD1 4.45Å; L139-I189 HydrophobicContact CD2-CD1 3.62Å; L139-L199 HydrophobicContact CD1-CD2 4.09Å; L139-L199 HydrophobicContact CD2-CD2 4.13Å
140	L	95	Very high	91.5	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.005	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	124	168.8	-168.3	63.4	0	0	0	108.5	L112 L115 P119 Y125 L126 F128 L148	L112-L140 HydrophobicContact CD1-CD1 3.56Å; L112-L140 HydrophobicContact CD1-CD2 4.48Å; L115-L140 HydrophobicContact CB-CD2 3.77Å; L115-L140 WeakPolarHBondContact O-CD2 3.42Å; P119-L140 HydrophobicContact CG-CD2 4.05Å; P119-L140 HydrophobicContact CG-CG 4.19Å; Y125-L140 CarbonylContact C-O 3.57Å; Y125-L140 WeakPolarHBondContact CA-O 3.43Å; Y125-L140 WeakPolarHBondContact CB-O 3.39Å; L126-L140 HydrophobicContact CD1-CB 3.6Å; L126-L140 HydrophobicContact CD1-CD2 4.12Å; L126-L140 HydrophobicContact CD1-CG 4.49Å; L126-L140 HydrophobicContact CG-CB 4.05Å; L126-L140 HydrophobicContact CG-CD2 4.4Å; L126-L140 PolarHBondContact N-O 3.47Å; L126-L140 PolarHBondContact O-N 3.27Å; F128-L140 HydrophobicContact CE1-CB 4.12Å; L140-L148 HydrophobicContact CD1-CD1 3.94Å; L140-L148 HydrophobicContact CD1-CD2 4Å; L140-L148 HydrophobicContact CD1-CG 3.82Å; L140-L148 HydrophobicContact CD2-CD1 4.32Å; L140-L148 HydrophobicContact CD2-CD2 4.49Å; L140-L148 HydrophobicContact CG-CD1 3.91Å; L140-L148 HydrophobicContact CG-CG 4.35Å
141	V	94.2	Very high	91.4	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	142.1	-179.3	60	0	0	0	0	111.1	E124 L139 S149 I151 A197 L199	E124-V141 WeakPolarHBondContact O-CA 3.38Å; L139-V141 HydrophobicContact CG-CG1 4.5Å; V141-S149 PolarHBondContact N-O 3.08Å; V141-S149 WeakPolarHBondContact O-CB 3.42Å; V141-S149 PolarHBondContact O-N 2.98Å; V141-I151 HydrophobicContact CG1-CD1 3.92Å; V141-A197 HydrophobicContact CB-CB 4.42Å; V141-A197 HydrophobicContact CG1-CB 3.62Å; V141-A197 HydrophobicContact CG2-CB 3.86Å; V141-L199 HydrophobicContact CB-CD2 4.42Å; V141-L199 HydrophobicContact CG2-CD2 4.03Å
142	R	91.1	Very high	91.5	Very high	61 Å²	61	51.9 Å²	51.9	23%	0.23	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	118.2	168.3	-172.2	170.7	-68	-93.6	5.9	109.4	P119 T121 G123 E124 G146	P119-R142 HydrophobicContact CB-CB 4.11Å; P119-R142 PolarHBondContact O-NE 2.97Å; P119-R142 PolarHBondContact O-NH2 3.36Å; T121-R142 WeakPolarHBondContact O-CB 3.45Å; G123-R142 PolarHBondContact N-O 2.81Å; E124-R142 PolarHBondContact O-N 3.03Å; R142-G146 WeakPolarHBondContact CG-O 3.38Å; R142-G146 PolarHBondContact NH1-O 2.91Å
143	D	89	Confident	91.7	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.245	C	C	.	.			trans	-75.4	177.1	-170.3	81	3.6	0	0	0	114.1	V122 E145 G146 I147 L195 A197	V122-D143 WeakPolarHBondContact CG1-O 3.5Å; V122-D143 WeakPolarHBondContact CG2-O 3.39Å; D143-E145 PolarHBondContact O-N 3.43Å; D143-E145 VanDerWaalsContact O-N 3.16Å; D143-E145 WeakPolarHBondContact OD1-CA 3.42Å; D143-E145 PolarHBondContact OD1-N 2.91Å; D143-G146 PolarHBondContact O-N 2.9Å; D143-G146 PolarHBondContact OD1-N 2.97Å; D143-I147 PolarHBondContact N-O 3.43Å; D143-I147 PolarHBondContact OD1-N 2.91Å; D143-L195 WeakPolarHBondContact OD2-CB 3.47Å; D143-L195 WeakPolarHBondContact OD2-CD1 3.48Å; D143-A197 HydrophobicContact CB-CB 3.99Å
144	D	85.3	Confident	91.8	Very high	55 Å²	55	50.4 Å²	50.4	29%	0.294	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-15.3	-178.7	-76.3	-30.3	0	0	0	113.7	K196 R200	D144-K196 WeakPolarHBondContact CB-O 3.47Å; D144-K196 PolarHBondContact N-O 2.88Å; D144-R200 IonicContact OD1-CZ 3.35Å; D144-R200 IonicContact OD1-NH2 2.81Å; D144-R200 PolarHBondContact OD1-NH2 2.92Å
145	E	85.9	Confident	91.8	Very high	149 Å²	149	46.5 Å²	46.5	70%	0.696	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.9	1.9	172.8	-62.4	-67	150.4	0	0	112.4	D143 I147 L195	D143-E145 PolarHBondContact O-N 3.43Å; D143-E145 VanDerWaalsContact O-N 3.16Å; D143-E145 WeakPolarHBondContact OD1-CA 3.42Å; D143-E145 PolarHBondContact OD1-N 2.91Å; E145-I147 VanDerWaalsContact C-N 3.34Å; E145-I147 HydrophobicContact CB-CD1 4.42Å; E145-I147 HydrophobicContact CB-CG1 4.44Å; E145-L195 HydrophobicContact CB-CD2 4.14Å; E145-L195 HydrophobicContact CG-CD2 3.63Å
146	G	85.4	Confident	91.6	Very high	22 Å²	22	43.7 Å²	43.7	23%	0.227	22%	0.223	C	C	.	.	S	Bend	trans	80.9	9.6	-177.5	0	0	0	0	0	114.3	R142 D143	R142-G146 WeakPolarHBondContact CG-O 3.38Å; R142-G146 PolarHBondContact NH1-O 2.91Å; D143-G146 PolarHBondContact O-N 2.9Å; D143-G146 PolarHBondContact OD1-N 2.97Å
147	I	88.2	Confident	91.2	Very high	84 Å²	84	49 Å²	49	43%	0.431	25%	0.247	S	C	.	.			trans	-84.8	130.2	178.8	-61.3	172.8	0	0	0	109.1	D143 E145 L195	D143-I147 PolarHBondContact N-O 3.43Å; D143-I147 PolarHBondContact OD1-N 2.91Å; E145-I147 VanDerWaalsContact C-N 3.34Å; E145-I147 HydrophobicContact CB-CD1 4.42Å; E145-I147 HydrophobicContact CB-CG1 4.44Å; I147-L195 HydrophobicContact CD1-CD1 3.93Å; I147-L195 HydrophobicContact CD1-CD2 4.4Å
148	L	90.4	Very high	90.4	Very high	50 Å²	50	52.7 Å²	52.7	26%	0.262	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	132.5	175.1	-170.3	74.7	0	0	0	110.3	T116 P119 L140	T116-L148 HydrophobicContact CG2-CD2 3.8Å; T116-L148 WeakPolarHBondContact O-CD2 3.48Å; P119-L148 HydrophobicContact CB-CD1 3.89Å; P119-L148 HydrophobicContact CG-CD1 3.74Å; L140-L148 HydrophobicContact CD1-CD1 3.94Å; L140-L148 HydrophobicContact CD1-CD2 4Å; L140-L148 HydrophobicContact CD1-CG 3.82Å; L140-L148 HydrophobicContact CD2-CD1 4.32Å; L140-L148 HydrophobicContact CD2-CD2 4.49Å; L140-L148 HydrophobicContact CG-CD1 3.91Å; L140-L148 HydrophobicContact CG-CG 4.35Å
149	S	90.3	Very high	89.9	Confident	7 Å²	7	53 Å²	53	5%	0.049	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	120.5	-171.3	-67.7	0	0	0	0	110.5	V141 V191	V141-S149 PolarHBondContact N-O 3.08Å; V141-S149 WeakPolarHBondContact O-CB 3.42Å; V141-S149 PolarHBondContact O-N 2.98Å; S149-V191 VanDerWaalsContact CB-CG1 3.45Å; S149-V191 WeakPolarHBondContact OG-CG1 3.33Å
150	S	92	Very high	89.4	Confident	61 Å²	61	53.4 Å²	53.4	43%	0.427	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	136.7	165.7	48.6	0	0	0	0	110.1	L139	L139-S150 CarbonylContact O-C 3.54Å; L139-S150 WeakPolarHBondContact O-CA 3.46Å
151	I	93.3	Very high	89.3	Confident	20 Å²	20	53.5 Å²	53.5	10%	0.103	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	115.6	-177	-44.6	175.2	0	0	0	108.2	L139 V141 L163 I189 V191	L139-I151 HydrophobicContact CB-CB 4.43Å; L139-I151 HydrophobicContact CD2-CD1 4.34Å; L139-I151 PolarHBondContact N-O 2.8Å; L139-I151 PolarHBondContact O-N 3.44Å; V141-I151 HydrophobicContact CG1-CD1 3.92Å; I151-L163 HydrophobicContact CB-CD2 4.28Å; I151-L163 HydrophobicContact CG2-CD2 3.65Å; I151-I189 HydrophobicContact CD1-CB 4.47Å; I151-I189 HydrophobicContact CD1-CG2 3.65Å; I151-V191 HydrophobicContact CD1-CB 4.44Å; I151-V191 HydrophobicContact CD1-CG1 4.29Å; I151-V191 HydrophobicContact CD1-CG2 3.78Å; I151-V191 HydrophobicContact CG1-CG1 4.11Å; I151-V191 HydrophobicContact CG1-CG2 4.49Å
152	T	94.4	Very high	89.2	Confident	65 Å²	65	54.2 Å²	54.2	40%	0.399	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	133.7	173.3	-55.3	0	0	0	0	110.4	E136 E154	E136-T152 HydrophobicContact CB-CG2 3.84Å; E136-T152 HydrophobicContact CG-CG2 4.2Å; T152-E154 PolarHBondContact O-N 2.88Å
153	I	95.5	Very high	89.2	Confident	3 Å²	3	52.5 Å²	52.5	2%	0.015	27%	0.272	C	S	.	.			trans	-87.4	102.6	171	-62.2	-178.5	0	0	0	107.5	L127 V137 L139 F161 L163 I175 L178 I179	L127-I153 HydrophobicContact CD2-CD1 3.81Å; V137-I153 HydrophobicContact CB-CB 4.31Å; V137-I153 HydrophobicContact CG1-CB 4.38Å; V137-I153 HydrophobicContact CG1-CD1 3.97Å; V137-I153 HydrophobicContact CG1-CG1 4.44Å; V137-I153 PolarHBondContact O-N 2.98Å; L139-I153 HydrophobicContact CB-CD1 4.47Å; L139-I153 HydrophobicContact CB-CG1 4.48Å; I153-F161 HydrophobicContact CG2-CB 4.06Å; I153-F161 HydrophobicContact CG2-CD1 4.2Å; I153-L163 HydrophobicContact CG1-CD2 3.87Å; I153-L163 HydrophobicContact CG1-CG 4.33Å; I153-I175 HydrophobicContact CD1-CG2 4.03Å; I153-L178 HydrophobicContact CD1-CD2 4.32Å; I153-L178 HydrophobicContact CG2-CD2 3.51Å; I153-I179 HydrophobicContact CD1-CD1 4.32Å
154	E	93.7	Very high	89	Confident	108 Å²	108	56.9 Å²	56.9	51%	0.505	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	153.9	-179.7	-66.4	-176.8	177.4	0	0	111.5	T152 F161 M162	T152-E154 PolarHBondContact O-N 2.88Å; E154-F161 CarbonylContact O-C 3.37Å; E154-F161 WeakPolarHBondContact O-CA 3.37Å; E154-M162 HydrophobicContact CB-CE 4.48Å; E154-M162 PolarHBondContact N-O 3.26Å; E154-M162 PolarHBondContact O-N 3.03Å
155	R	90.9	Very high	89	Confident	98 Å²	98	62 Å²	62	37%	0.37	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	127.8	170.2	-163.6	179.5	-169.8	-164	2.4	110.5	G159 H160 F161 T508	R155-G159 VanDerWaalsContact NE-CA 3.32Å; R155-G159 PolarHBondContact NE-O 3.12Å; R155-G159 PolarHBondContact NH2-O 3.44Å; R155-H160 WeakPolarHBondContact CA-O 3.19Å; R155-F161 HydrophobicContact CG-CE1 4.49Å; R155-T508 PolarHBondContact NH2-O 2.85Å
156	N	87.7	Confident	88.8	Confident	33 Å²	33	57.4 Å²	57.4	18%	0.176	30%	0.296	C	S	.	.			trans	-80	174	178.2	72.5	24.6	0	0	0	112.8	N158 G159 H160 M162	N156-N158 PolarHBondContact O-N 2.95Å; N156-N158 VanDerWaalsContact O-N 3.17Å; N156-N158 WeakPolarHBondContact OD1-CA 3.22Å; N156-N158 WeakPolarHBondContact OD1-CB 3.25Å; N156-N158 PolarHBondContact OD1-N 3.17Å; N156-G159 WeakPolarHBondContact O-CA 3.39Å; N156-G159 PolarHBondContact O-N 2.99Å; N156-G159 PolarHBondContact OD1-N 2.88Å; N156-G159 VanDerWaalsContact OD1-N 3.12Å; N156-H160 PolarHBondContact N-O 2.9Å; N156-H160 PolarHBondContact OD1-N 3.33Å; N156-M162 HydrophobicContact CB-CE 3.72Å; N156-M162 HydrophobicContact CB-SD 3.94Å
157	Q	85.6	Confident	88.6	Confident	204 Å²	204	56.5 Å²	56.5	95%	0.953	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-22.8	179.9	-65.4	178.4	-7	0	0	114.1	G159	Q157-G159 VanDerWaalsContact C-N 3.29Å
158	N	78.2	Confident	88	Confident	83 Å²	83	54.4 Å²	54.4	44%	0.444	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-3.8	175.7	-61.4	-14.6	0	0	0	112.3	N156 W494	N156-N158 PolarHBondContact O-N 2.95Å; N156-N158 VanDerWaalsContact O-N 3.17Å; N156-N158 WeakPolarHBondContact OD1-CA 3.22Å; N156-N158 WeakPolarHBondContact OD1-CB 3.25Å; N156-N158 PolarHBondContact OD1-N 3.17Å; N158-W494 HydrophobicContact CB-CZ2 3.98Å; N158-W494 PolarHBondContact O-NE1 2.86Å
159	G	84.7	Confident	87	Confident	9 Å²	9	58.2 Å²	58.2	9%	0.093	30%	0.299	C	S	.	.	S	Bend	trans	86	10.7	-179.2	0	0	0	0	0	115.2	R155 N156 Q157	R155-G159 VanDerWaalsContact NE-CA 3.32Å; R155-G159 PolarHBondContact NE-O 3.12Å; R155-G159 PolarHBondContact NH2-O 3.44Å; N156-G159 WeakPolarHBondContact O-CA 3.39Å; N156-G159 PolarHBondContact O-N 2.99Å; N156-G159 PolarHBondContact OD1-N 2.88Å; N156-G159 VanDerWaalsContact OD1-N 3.12Å; Q157-G159 VanDerWaalsContact C-N 3.29Å
160	H	87.3	Confident	86.2	Confident	8 Å²	8	62.4 Å²	62.4	4%	0.037	32%	0.315	C	S	.	.			trans	-85.6	144.1	177.4	-46	148.3	0	0	0	111.8	R155 N156 C171 F172 Y510	R155-H160 WeakPolarHBondContact CA-O 3.19Å; N156-H160 PolarHBondContact N-O 2.9Å; N156-H160 PolarHBondContact OD1-N 3.33Å; H160-C171 VanDerWaalsContact CE1-CB 3.49Å; H160-C171 WeakPolarHBondContact CE1-CB 3.28Å; H160-C171 PolarHBondContact CE1-SG 3.39Å; H160-C171 WeakPolarHBondContact ND1-CA 3.32Å; H160-F172 CarbonylContact C-O 3.49Å; H160-F172 VanDerWaalsContact CA-O 3.27Å; H160-F172 WeakPolarHBondContact CA-O 3.29Å; H160-Y510 PolarHBondContact CD2-OH 3.08Å
161	F	92.3	Very high	85.6	Confident	4 Å²	4	62.3 Å²	62.3	2%	0.018	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	143.1	179.3	-60.3	-82.9	0	0	0	112	I153 E154 R155 F172 T173 I175 L178 P507 E509	I153-F161 HydrophobicContact CG2-CB 4.06Å; I153-F161 HydrophobicContact CG2-CD1 4.2Å; E154-F161 CarbonylContact O-C 3.37Å; E154-F161 WeakPolarHBondContact O-CA 3.37Å; R155-F161 HydrophobicContact CG-CE1 4.49Å; F161-F172 PolarHBondContact N-O 3.28Å; F161-T173 WeakPolarHBondContact CE2-O 3.45Å; F161-I175 HydrophobicContact CD1-CD1 4.28Å; F161-I175 HydrophobicContact CD1-CG1 3.78Å; F161-I175 HydrophobicContact CD2-CG1 4.3Å; F161-I175 HydrophobicContact CE1-CD1 4Å; F161-I175 HydrophobicContact CE1-CG1 3.95Å; F161-I175 HydrophobicContact CE2-CG1 4.47Å; F161-I175 HydrophobicContact CG-CG1 3.95Å; F161-I175 HydrophobicContact CZ-CD1 4.36Å; F161-I175 HydrophobicContact CZ-CG1 4.3Å; F161-L178 HydrophobicContact CB-CD2 3.9Å; F161-P507 HydrophobicContact CE1-CB 3.76Å; F161-P507 HydrophobicContact CE1-CG 3.78Å; F161-P507 HydrophobicContact CZ-CB 3.91Å; F161-P507 HydrophobicContact CZ-CG 4.04Å; F161-E509 HydrophobicContact CE2-CG 3.75Å; F161-E509 HydrophobicContact CZ-CG 3.76Å
162	M	91.7	Very high	85.2	Confident	14 Å²	14	61.9 Å²	61.9	7%	0.069	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	143.9	-173.4	-54.7	-177.7	-51	0	0	111.5	E154 N156 D167	E154-M162 HydrophobicContact CB-CE 4.48Å; E154-M162 PolarHBondContact N-O 3.26Å; E154-M162 PolarHBondContact O-N 3.03Å; N156-M162 HydrophobicContact CB-CE 3.72Å; N156-M162 HydrophobicContact CB-SD 3.94Å; M162-D167 HydrophobicContact CB-CB 4.02Å; M162-D167 HydrophobicContact CG-CB 4.09Å
163	L	91.2	Very high	84.9	Confident	26 Å²	26	59 Å²	59	14%	0.136	29%	0.293	C	S	.	.	S	Bend	trans	-101.5	-22.4	163.1	-79.3	161.9	0	0	0	111.3	L139 I151 I153 D167 L178 Y182 I189	L139-L163 HydrophobicContact CD2-CD1 4.04Å; L139-L163 HydrophobicContact CD2-CD2 3.97Å; I151-L163 HydrophobicContact CB-CD2 4.28Å; I151-L163 HydrophobicContact CG2-CD2 3.65Å; I153-L163 HydrophobicContact CG1-CD2 3.87Å; I153-L163 HydrophobicContact CG1-CG 4.33Å; L163-D167 PolarHBondContact N-OD2 2.86Å; L163-L178 HydrophobicContact CD1-CD1 4.48Å; L163-L178 HydrophobicContact CD1-CD2 4.49Å; L163-L178 HydrophobicContact CD1-CG 4.39Å; L163-L178 HydrophobicContact CG-CD2 4.26Å; L163-Y182 HydrophobicContact CB-CE2 3.94Å; L163-Y182 HydrophobicContact CD1-CD2 3.67Å; L163-Y182 HydrophobicContact CD1-CE2 3.66Å; L163-Y182 HydrophobicContact CD1-CG 4.24Å; L163-Y182 HydrophobicContact CG-CE2 4.36Å; L163-I189 HydrophobicContact CD1-CD1 3.95Å; L163-I189 HydrophobicContact CD1-CG1 4.38Å
164	H	85.8	Confident	84.7	Confident	92 Å²	92	58.8 Å²	58.8	43%	0.426	29%	0.292	S	S	.	.	S	Bend	trans	-141.3	154.5	174	-173.6	-102.3	0	0	0	110.7	S166 D167	H164-S166 PolarHBondContact ND1-N 2.8Å; H164-S166 PolarHBondContact ND1-OG 2.86Å; H164-S166 PolarHBondContact O-N 2.69Å; H164-D167 PolarHBondContact N-OD2 2.81Å; H164-D167 VanDerWaalsContact O-CB 3.24Å; H164-D167 WeakPolarHBondContact O-CB 3.02Å; H164-D167 PolarHBondContact O-N 3.34Å
165	K	84.2	Confident	84.7	Confident	163 Å²	163	53.7 Å²	53.7	71%	0.709	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-60.9	-17.4	-178.4	-66	-172.7	177.1	-173.8	0	114.9	S168	K165-S168 PolarHBondContact O-OG 3.12Å
166	S	81.2	Confident	84.8	Confident	52 Å²	52	49.7 Å²	49.7	36%	0.364	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-67.4	-27	171.8	45.2	0	0	0	0	112.9	H164 S168 N169	H164-S166 PolarHBondContact ND1-N 2.8Å; H164-S166 PolarHBondContact ND1-OG 2.86Å; H164-S166 PolarHBondContact O-N 2.69Å; S166-S168 PolarHBondContact O-N 2.91Å; S166-N169 WeakPolarHBondContact O-CB 3.34Å; S166-N169 PolarHBondContact O-N 3.49Å; S166-N169 VanDerWaalsContact O-N 3.13Å
167	D	81.4	Confident	84.8	Confident	2 Å²	2	49.1 Å²	49.1	1%	0.011	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-74	-15.6	-168.3	-48.3	-7.5	0	0	0	111.1	M162 L163 H164 N169 Y170 F172 Y182	M162-D167 HydrophobicContact CB-CB 4.02Å; M162-D167 HydrophobicContact CG-CB 4.09Å; L163-D167 PolarHBondContact N-OD2 2.86Å; H164-D167 PolarHBondContact N-OD2 2.81Å; H164-D167 VanDerWaalsContact O-CB 3.24Å; H164-D167 WeakPolarHBondContact O-CB 3.02Å; H164-D167 PolarHBondContact O-N 3.34Å; D167-N169 PolarHBondContact O-N 2.96Å; D167-N169 VanDerWaalsContact O-N 3.12Å; D167-Y170 PolarHBondContact O-N 3.35Å; D167-F172 HydrophobicContact CB-CD2 4.27Å; D167-F172 HydrophobicContact CB-CE2 4.07Å; D167-Y182 PolarHBondContact OD1-OH 2.94Å; D167-Y182 PolarHBondContact OD2-OH 2.89Å; D167-Y182 VanDerWaalsContact OD2-OH 3.04Å
168	S	76.3	Confident	85.1	Confident	40 Å²	40	39.4 Å²	39.4	28%	0.28	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-52.2	-30.3	168.5	59.4	0	0	0	0	112.8	K165 S166 Y170 C171	K165-S168 PolarHBondContact O-OG 3.12Å; S166-S168 PolarHBondContact O-N 2.91Å; S168-Y170 VanDerWaalsContact C-N 3.33Å; S168-C171 PolarHBondContact O-N 2.7Å; S168-C171 PolarHBondContact O-SG 3.39Å; S168-C171 VanDerWaalsContact O-SG 3.4Å
169	N	69.6	Low	85.8	Confident	131 Å²	131	35.5 Å²	35.5	70%	0.701	18%	0.183	S	C	*	.	G	3₁₀ helix	trans	-71	-28	-178.7	-62.7	-9	0	0	0	112.5	S166 D167	S166-N169 WeakPolarHBondContact O-CB 3.34Å; S166-N169 PolarHBondContact O-N 3.49Å; S166-N169 VanDerWaalsContact O-N 3.13Å; D167-N169 PolarHBondContact O-N 2.96Å; D167-N169 VanDerWaalsContact O-N 3.12Å
170	Y	73.2	Confident	85.9	Confident	95 Å²	95	36.7 Å²	36.7	37%	0.373	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-89.1	-6.4	178.5	-53	-64.2	0	0	0	113.3	E89 D167 S168 F172 H181	E89-Y170 WeakPolarHBondContact OE1-CE1 3.41Å; D167-Y170 PolarHBondContact O-N 3.35Å; S168-Y170 VanDerWaalsContact C-N 3.33Å; Y170-F172 VanDerWaalsContact C-N 3.35Å; Y170-F172 AromaticContact CD2-CE2 3.7Å; Y170-F172 HydrophobicContact CD2-CE2 3.7Å; Y170-F172 AromaticContact CD2-CZ 3.7Å; Y170-F172 HydrophobicContact CD2-CZ 3.7Å; Y170-F172 HydrophobicContact CG-CE1 4.47Å; Y170-F172 HydrophobicContact CG-CE2 4.06Å; Y170-F172 AromaticContact CG-CZ 3.75Å; Y170-F172 HydrophobicContact CG-CZ 3.75Å; Y170-F172 PolarHBondContact O-N 3.03Å; Y170-H181 AromaticContact CD2-NE2 3.95Å; Y170-H181 AromaticContact CE2-CE1 3.71Å; Y170-H181 AromaticContact CE2-NE2 3.54Å; Y170-H181 AromaticContact CZ-CE1 3.74Å; Y170-H181 AromaticContact CZ-NE2 3.96Å
171	C	79.8	Confident	85.8	Confident	59 Å²	59	37.3 Å²	37.3	40%	0.399	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.4	43.4	174.4	-61.3	0	0	0	0	115.2	H160 S168 T173	H160-C171 VanDerWaalsContact CE1-CB 3.49Å; H160-C171 WeakPolarHBondContact CE1-CB 3.28Å; H160-C171 PolarHBondContact CE1-SG 3.39Å; H160-C171 WeakPolarHBondContact ND1-CA 3.32Å; S168-C171 PolarHBondContact O-N 2.7Å; S168-C171 PolarHBondContact O-SG 3.39Å; S168-C171 VanDerWaalsContact O-SG 3.4Å; C171-T173 WeakPolarHBondContact O-CG2 3.49Å; C171-T173 PolarHBondContact O-N 2.87Å
172	F	85.1	Confident	85.6	Confident	11 Å²	11	37.7 Å²	37.7	5%	0.048	19%	0.192	C	C	.	.			trans	-60.1	109.6	-178.5	-58.8	-60.1	0	0	0	112.3	H160 F161 D167 Y170 T174 K177 L178 H181	H160-F172 CarbonylContact C-O 3.49Å; H160-F172 VanDerWaalsContact CA-O 3.27Å; H160-F172 WeakPolarHBondContact CA-O 3.29Å; F161-F172 PolarHBondContact N-O 3.28Å; D167-F172 HydrophobicContact CB-CD2 4.27Å; D167-F172 HydrophobicContact CB-CE2 4.07Å; Y170-F172 VanDerWaalsContact C-N 3.35Å; Y170-F172 AromaticContact CD2-CE2 3.7Å; Y170-F172 HydrophobicContact CD2-CE2 3.7Å; Y170-F172 AromaticContact CD2-CZ 3.7Å; Y170-F172 HydrophobicContact CD2-CZ 3.7Å; Y170-F172 HydrophobicContact CG-CE1 4.47Å; Y170-F172 HydrophobicContact CG-CE2 4.06Å; Y170-F172 AromaticContact CG-CZ 3.75Å; Y170-F172 HydrophobicContact CG-CZ 3.75Å; Y170-F172 PolarHBondContact O-N 3.03Å; F172-T174 VanDerWaalsContact C-N 3.34Å; F172-K177 HydrophobicContact CD1-CB 3.97Å; F172-L178 HydrophobicContact CB-CB 4.11Å; F172-L178 HydrophobicContact CD2-CB 4.09Å; F172-L178 HydrophobicContact CD2-CD1 3.48Å; F172-L178 VanDerWaalsContact CD2-CD1 3.48Å; F172-L178 HydrophobicContact CD2-CG 4.38Å; F172-L178 HydrophobicContact CE2-CD1 3.7Å; F172-L178 HydrophobicContact CG-CB 4.05Å; F172-L178 HydrophobicContact CG-CD1 4.3Å; F172-H181 HydrophobicContact CE1-CB 3.81Å; F172-H181 HydrophobicContact CE2-CB 4.5Å; F172-H181 HydrophobicContact CZ-CB 3.57Å; F172-H181 AromaticContact CZ-CD2 3.66Å; F172-H181 AromaticContact CZ-CG 3.43Å; F172-H181 VanDerWaalsContact CZ-CG 3.43Å; F172-H181 AromaticContact CZ-ND1 3.77Å
173	T	86.7	Confident	85.3	Confident	3 Å²	3	40.7 Å²	40.7	2%	0.018	20%	0.203	C	C	.	.			trans	-84	-8.4	-179.3	65.7	0	0	0	0	113.9	F161 C171 Y510 L512	F161-T173 WeakPolarHBondContact CE2-O 3.45Å; C171-T173 WeakPolarHBondContact O-CG2 3.49Å; C171-T173 PolarHBondContact O-N 2.87Å; T173-Y510 WeakPolarHBondContact CB-O 3.42Å; T173-Y510 HydrophobicContact CG2-CD2 4.06Å; T173-Y510 HydrophobicContact CG2-CE1 4.43Å; T173-Y510 HydrophobicContact CG2-CE2 3.46Å; T173-Y510 VanDerWaalsContact CG2-CE2 3.46Å; T173-Y510 PolarHBondContact O-N 2.83Å; T173-Y510 PolarHBondContact OG1-O 3.26Å; T173-L512 HydrophobicContact CG2-CD2 4.24Å; T173-L512 HydrophobicContact CG2-CG 4.29Å
174	T	91.9	Very high	84.7	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.215	C	C	.	.	S	Bend	trans	-142.3	154.9	177.8	71	0	0	0	0	111	V97 F172 K177 L178 L499 E509 Y510	V97-T174 HydrophobicContact CG1-CG2 3.57Å; V97-T174 WeakPolarHBondContact CG1-OG1 3.39Å; F172-T174 VanDerWaalsContact C-N 3.34Å; T174-K177 PolarHBondContact O-N 2.93Å; T174-K177 WeakPolarHBondContact OG1-CB 3.5Å; T174-K177 WeakPolarHBondContact OG1-CG 3.36Å; T174-K177 PolarHBondContact OG1-N 2.96Å; T174-L178 PolarHBondContact O-N 3.03Å; T174-L499 HydrophobicContact CG2-CD1 3.87Å; T174-E509 VanDerWaalsContact CA-OE2 3.24Å; T174-E509 WeakPolarHBondContact CA-OE2 3.45Å; T174-E509 WeakPolarHBondContact CB-OE2 3.14Å; T174-E509 HydrophobicContact CG2-CB 4.13Å; T174-Y510 VanDerWaalsContact CG2-O 3.32Å; T174-Y510 WeakPolarHBondContact CG2-O 3.42Å
175	I	94.7	Very high	84.2	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-70.3	-35.2	177.3	-66	154.6	0	0	0	110.2	L100 L103 L127 V137 I153 F161 K177 L178 I179 P507 E509	L100-I175 HydrophobicContact CB-CD1 4.19Å; L100-I175 HydrophobicContact CD1-CD1 4.16Å; L100-I175 HydrophobicContact CD1-CG2 4.36Å; L100-I175 HydrophobicContact CD2-CD1 3.98Å; L100-I175 HydrophobicContact CG-CD1 4.34Å; L103-I175 HydrophobicContact CD1-CG2 4.39Å; L127-I175 HydrophobicContact CD1-CG2 3.64Å; V137-I175 HydrophobicContact CG1-CD1 4.09Å; V137-I175 HydrophobicContact CG2-CD1 3.95Å; I153-I175 HydrophobicContact CD1-CG2 4.03Å; F161-I175 HydrophobicContact CD1-CD1 4.28Å; F161-I175 HydrophobicContact CD1-CG1 3.78Å; F161-I175 HydrophobicContact CD2-CG1 4.3Å; F161-I175 HydrophobicContact CE1-CD1 4Å; F161-I175 HydrophobicContact CE1-CG1 3.95Å; F161-I175 HydrophobicContact CE2-CG1 4.47Å; F161-I175 HydrophobicContact CG-CG1 3.95Å; F161-I175 HydrophobicContact CZ-CD1 4.36Å; F161-I175 HydrophobicContact CZ-CG1 4.3Å; I175-K177 PolarHBondContact O-N 2.68Å; I175-L178 PolarHBondContact O-N 3.44Å; I175-I179 HydrophobicContact CG2-CG1 4.05Å; I175-I179 WeakPolarHBondContact O-CB 3.46Å; I175-I179 WeakPolarHBondContact O-CG1 3.14Å; I175-I179 PolarHBondContact O-N 3.5Å; I175-P507 HydrophobicContact CD1-CG 3.86Å; I175-E509 PolarHBondContact N-OE2 3.47Å
176	D	92.3	Very high	84.1	Confident	15 Å²	15	35.3 Å²	35.3	8%	0.08	19%	0.191	C	C	.	.	H	α-helix	trans	-59.5	-42	173.8	-175.1	37.4	0	0	0	112	V97 R98 L103 N180	V97-D176 HydrophobicContact CG1-CB 4.23Å; R98-D176 PolarHBondContact N-OD2 3.5Å; R98-D176 WeakPolarHBondContact O-CB 3.34Å; L103-D176 HydrophobicContact CD1-CB 4.44Å; L103-D176 HydrophobicContact CD2-CB 3.89Å; L103-D176 WeakPolarHBondContact CD2-OD1 3.19Å; D176-N180 VanDerWaalsContact O-CB 3.22Å; D176-N180 WeakPolarHBondContact O-CB 3.26Å; D176-N180 PolarHBondContact O-N 3.25Å; D176-N180 PolarHBondContact O-ND2 2.95Å; D176-N180 PolarHBondContact OD1-ND2 2.99Å
177	K	88	Confident	84.2	Confident	20 Å²	20	35.4 Å²	35.4	9%	0.087	19%	0.187	C	C	.	.	H	α-helix	trans	-63	-45.9	174.3	-75.8	179.2	-177.3	-172.3	0	111.8	V97 F172 T174 I175 N180 H181 E516	V97-K177 HydrophobicContact CG1-CG 4.4Å; V97-K177 HydrophobicContact CG2-CG 4.24Å; F172-K177 HydrophobicContact CD1-CB 3.97Å; T174-K177 PolarHBondContact O-N 2.93Å; T174-K177 WeakPolarHBondContact OG1-CB 3.5Å; T174-K177 WeakPolarHBondContact OG1-CG 3.36Å; T174-K177 PolarHBondContact OG1-N 2.96Å; I175-K177 PolarHBondContact O-N 2.68Å; K177-N180 PolarHBondContact O-N 3.06Å; K177-H181 PolarHBondContact O-N 3.28Å; K177-E516 WeakPolarHBondContact CE-OE1 3.15Å; K177-E516 IonicContact NZ-OE1 3.56Å; K177-E516 PolarHBondContact NZ-OE1 3.28Å; K177-E516 IonicContact NZ-OE2 3.7Å
178	L	91.8	Very high	84.4	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-59.9	-50.8	177.8	173.6	66.8	0	0	0	111.7	I153 F161 L163 F172 T174 I175 H181 Y182	I153-L178 HydrophobicContact CD1-CD2 4.32Å; I153-L178 HydrophobicContact CG2-CD2 3.51Å; F161-L178 HydrophobicContact CB-CD2 3.9Å; L163-L178 HydrophobicContact CD1-CD1 4.48Å; L163-L178 HydrophobicContact CD1-CD2 4.49Å; L163-L178 HydrophobicContact CD1-CG 4.39Å; L163-L178 HydrophobicContact CG-CD2 4.26Å; F172-L178 HydrophobicContact CB-CB 4.11Å; F172-L178 HydrophobicContact CD2-CB 4.09Å; F172-L178 HydrophobicContact CD2-CD1 3.48Å; F172-L178 VanDerWaalsContact CD2-CD1 3.48Å; F172-L178 HydrophobicContact CD2-CG 4.38Å; F172-L178 HydrophobicContact CE2-CD1 3.7Å; F172-L178 HydrophobicContact CG-CB 4.05Å; F172-L178 HydrophobicContact CG-CD1 4.3Å; T174-L178 PolarHBondContact O-N 3.03Å; I175-L178 PolarHBondContact O-N 3.44Å; L178-H181 WeakPolarHBondContact O-CB 3.39Å; L178-H181 PolarHBondContact O-N 2.94Å; L178-Y182 HydrophobicContact CD1-CD2 3.99Å; L178-Y182 HydrophobicContact CD1-CE2 3.74Å; L178-Y182 WeakPolarHBondContact O-CD2 3.43Å; L178-Y182 PolarHBondContact O-N 3.34Å
179	I	92.3	Very high	85	Confident	1 Å²	1	35.9 Å²	35.9	1%	0.005	19%	0.189	C	C	.	.	H	α-helix	trans	-66.1	-41	-179.8	-65.5	-63.3	0	0	0	111.1	Y105 Y125 L127 L139 I153 I175 H181 Y182 Y183 L199	Y105-I179 HydrophobicContact CE2-CG2 3.93Å; Y105-I179 WeakPolarHBondContact OH-CG2 3.32Å; Y125-I179 HydrophobicContact CE2-CG2 3.92Å; L127-I179 HydrophobicContact CD1-CG1 4.26Å; L127-I179 HydrophobicContact CD2-CD1 4.15Å; L127-I179 HydrophobicContact CD2-CG1 4.45Å; L139-I179 HydrophobicContact CD1-CD1 4.37Å; L139-I179 HydrophobicContact CD2-CD1 4.45Å; I153-I179 HydrophobicContact CD1-CD1 4.32Å; I175-I179 HydrophobicContact CG2-CG1 4.05Å; I175-I179 WeakPolarHBondContact O-CB 3.46Å; I175-I179 WeakPolarHBondContact O-CG1 3.14Å; I175-I179 PolarHBondContact O-N 3.5Å; I179-H181 VanDerWaalsContact C-N 3.32Å; I179-H181 PolarHBondContact O-N 3.39Å; I179-Y182 PolarHBondContact O-N 2.89Å; I179-Y183 WeakPolarHBondContact O-CB 3.27Å; I179-Y183 PolarHBondContact O-N 2.94Å; I179-L199 HydrophobicContact CD1-CD1 3.99Å; I179-L199 HydrophobicContact CG2-CD1 4Å
180	N	87.1	Confident	85.6	Confident	34 Å²	34	36.7 Å²	36.7	18%	0.182	19%	0.186	C	C	.	.	H	α-helix	trans	-61.5	-37	174.3	-82.6	-63.2	0	0	0	112.7	D176 K177 K184	D176-N180 VanDerWaalsContact O-CB 3.22Å; D176-N180 WeakPolarHBondContact O-CB 3.26Å; D176-N180 PolarHBondContact O-N 3.25Å; D176-N180 PolarHBondContact O-ND2 2.95Å; D176-N180 PolarHBondContact OD1-ND2 2.99Å; K177-N180 PolarHBondContact O-N 3.06Å; N180-K184 HydrophobicContact CB-CD 4.33Å; N180-K184 WeakPolarHBondContact O-CB 3.39Å; N180-K184 WeakPolarHBondContact O-CG 3.46Å; N180-K184 PolarHBondContact O-N 3.16Å; N180-K184 VanDerWaalsContact OD1-CE 3.29Å; N180-K184 WeakPolarHBondContact OD1-CE 3.47Å
181	H	85.1	Confident	85.5	Confident	22 Å²	22	33.7 Å²	33.7	10%	0.102	18%	0.178	C	C	.	.	H	α-helix	trans	-60.7	-49.6	174.8	174.6	87.6	0	0	0	111.3	Y170 F172 K177 L178 I179 G185 I187	Y170-H181 AromaticContact CD2-NE2 3.95Å; Y170-H181 AromaticContact CE2-CE1 3.71Å; Y170-H181 AromaticContact CE2-NE2 3.54Å; Y170-H181 AromaticContact CZ-CE1 3.74Å; Y170-H181 AromaticContact CZ-NE2 3.96Å; F172-H181 HydrophobicContact CE1-CB 3.81Å; F172-H181 HydrophobicContact CE2-CB 4.5Å; F172-H181 HydrophobicContact CZ-CB 3.57Å; F172-H181 AromaticContact CZ-CD2 3.66Å; F172-H181 AromaticContact CZ-CG 3.43Å; F172-H181 VanDerWaalsContact CZ-CG 3.43Å; F172-H181 AromaticContact CZ-ND1 3.77Å; K177-H181 PolarHBondContact O-N 3.28Å; L178-H181 WeakPolarHBondContact O-CB 3.39Å; L178-H181 PolarHBondContact O-N 2.94Å; I179-H181 VanDerWaalsContact C-N 3.32Å; I179-H181 PolarHBondContact O-N 3.39Å; H181-G185 WeakPolarHBondContact O-CA 3.4Å; H181-G185 PolarHBondContact O-N 3.4Å; H181-I187 WeakPolarHBondContact NE2-CD1 3.33Å
182	Y	88.1	Confident	84.7	Confident	11 Å²	11	36.4 Å²	36.4	4%	0.043	19%	0.188	C	C	.	.	H	α-helix	trans	-66.7	-41.5	177.6	-83.3	-81.7	0	0	0	113.5	L163 D167 L178 I179 Q186 I187 I189	L163-Y182 HydrophobicContact CB-CE2 3.94Å; L163-Y182 HydrophobicContact CD1-CD2 3.67Å; L163-Y182 HydrophobicContact CD1-CE2 3.66Å; L163-Y182 HydrophobicContact CD1-CG 4.24Å; L163-Y182 HydrophobicContact CG-CE2 4.36Å; D167-Y182 PolarHBondContact OD1-OH 2.94Å; D167-Y182 PolarHBondContact OD2-OH 2.89Å; D167-Y182 VanDerWaalsContact OD2-OH 3.04Å; L178-Y182 HydrophobicContact CD1-CD2 3.99Å; L178-Y182 HydrophobicContact CD1-CE2 3.74Å; L178-Y182 WeakPolarHBondContact O-CD2 3.43Å; L178-Y182 PolarHBondContact O-N 3.34Å; I179-Y182 PolarHBondContact O-N 2.89Å; Y182-Q186 WeakPolarHBondContact O-CA 3.47Å; Y182-Q186 PolarHBondContact O-N 3.12Å; Y182-I187 HydrophobicContact CD1-CB 3.71Å; Y182-I187 HydrophobicContact CD1-CG2 3.83Å; Y182-I187 WeakPolarHBondContact CD1-O 3.36Å; Y182-I187 HydrophobicContact CE1-CB 4.09Å; Y182-I187 HydrophobicContact CE1-CG2 3.64Å; Y182-I187 PolarHBondContact O-N 3Å; Y182-I187 VanDerWaalsContact O-N 3.08Å; Y182-I189 HydrophobicContact CD1-CD1 4.17Å; Y182-I189 HydrophobicContact CD1-CG1 3.41Å; Y182-I189 VanDerWaalsContact CD1-CG1 3.41Å; Y182-I189 HydrophobicContact CE1-CB 4.49Å; Y182-I189 HydrophobicContact CE1-CG1 3.58Å; Y182-I189 HydrophobicContact CG-CD1 4.43Å; Y182-I189 HydrophobicContact CG-CG1 4.13Å
183	Y	85.4	Confident	83.5	Confident	78 Å²	78	46.4 Å²	46.4	31%	0.306	23%	0.231	S	C	.	.	H	α-helix	trans	-70.3	-56.2	-179.3	176.6	-106	0	0	0	112.4	Y125 I179 G185 Q186 L199	Y125-Y183 HydrophobicContact CE1-CD2 4.11Å; Y125-Y183 HydrophobicContact CE1-CE2 4.45Å; I179-Y183 WeakPolarHBondContact O-CB 3.27Å; I179-Y183 PolarHBondContact O-N 2.94Å; Y183-G185 PolarHBondContact O-N 3.41Å; Y183-Q186 PolarHBondContact O-N 3.13Å; Y183-Q186 PolarHBondContact O-NE2 3.23Å; Y183-L199 HydrophobicContact CD2-CB 4.14Å; Y183-L199 WeakPolarHBondContact CD2-O 3.44Å
184	K	79.7	Confident	82.5	Confident	88 Å²	88	55.8 Å²	55.8	38%	0.383	27%	0.272	S	S	.	.	H	α-helix	trans	-68.7	-35.5	-179.5	-62.1	177.9	178.1	174.6	0	111.8	L92 N180 Q186	L92-K184 HydrophobicContact CD2-CB 4.24Å; L92-K184 HydrophobicContact CD2-CD 3.82Å; N180-K184 HydrophobicContact CB-CD 4.33Å; N180-K184 WeakPolarHBondContact O-CB 3.39Å; N180-K184 WeakPolarHBondContact O-CG 3.46Å; N180-K184 PolarHBondContact O-N 3.16Å; N180-K184 VanDerWaalsContact OD1-CE 3.29Å; N180-K184 WeakPolarHBondContact OD1-CE 3.47Å; K184-Q186 VanDerWaalsContact C-N 3.31Å
185	G	74.6	Confident	81.7	Confident	48 Å²	48	57.3 Å²	57.3	50%	0.495	28%	0.28	S	S	.	.	H	α-helix	trans	-76.7	-12.9	175.2	0	0	0	0	0	114.5	H181 Y183 I187	H181-G185 WeakPolarHBondContact O-CA 3.4Å; H181-G185 PolarHBondContact O-N 3.4Å; Y183-G185 PolarHBondContact O-N 3.41Å; G185-I187 PolarHBondContact O-N 3.06Å
186	Q	82	Confident	81.2	Confident	31 Å²	31	62.4 Å²	62.4	15%	0.145	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.8	35.4	-171.9	-71.6	-67.2	-50.7	0	0	113.4	Y182 Y183 K184 R198 L199 N417	Y182-Q186 WeakPolarHBondContact O-CA 3.47Å; Y182-Q186 PolarHBondContact O-N 3.12Å; Y183-Q186 PolarHBondContact O-N 3.13Å; Y183-Q186 PolarHBondContact O-NE2 3.23Å; K184-Q186 VanDerWaalsContact C-N 3.31Å; Q186-R198 PolarHBondContact O-NE 2.93Å; Q186-R198 VanDerWaalsContact O-NE 3.11Å; Q186-L199 PolarHBondContact NE2-O 2.86Å; Q186-N417 WeakPolarHBondContact CG-OD1 3.44Å
187	I	82.4	Confident	81	Confident	54 Å²	54	61.7 Å²	61.7	28%	0.277	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-74.7	126.9	-173.8	-59.3	172.6	0	0	0	107.9	H181 Y182 G185 I189	H181-I187 WeakPolarHBondContact NE2-CD1 3.33Å; Y182-I187 HydrophobicContact CD1-CB 3.71Å; Y182-I187 HydrophobicContact CD1-CG2 3.83Å; Y182-I187 WeakPolarHBondContact CD1-O 3.36Å; Y182-I187 HydrophobicContact CE1-CB 4.09Å; Y182-I187 HydrophobicContact CE1-CG2 3.64Å; Y182-I187 PolarHBondContact O-N 3Å; Y182-I187 VanDerWaalsContact O-N 3.08Å; G185-I187 PolarHBondContact O-N 3.06Å; I187-I189 PolarHBondContact O-N 2.7Å
188	P	86.3	Confident	81.1	Confident	47 Å²	47	64.1 Å²	64.1	31%	0.305	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-76.1	116.9	-179.5	29	-32.8	0	0	0	111.1	K196 A197 R198	P188-K196 HydrophobicContact CB-CB 4.12Å; P188-K196 HydrophobicContact CB-CD 3.99Å; P188-K196 HydrophobicContact CB-CG 4.2Å; P188-K196 HydrophobicContact CG-CD 4.48Å; P188-A197 CarbonylContact C-O 3.54Å; P188-A197 WeakPolarHBondContact CA-O 3.45Å; P188-R198 HydrophobicContact CB-CG 4.34Å
189	I	88.1	Confident	80.9	Confident	5 Å²	5	64.1 Å²	64.1	3%	0.026	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	128.8	171.5	-52.5	164.6	0	0	0	108.1	L139 I151 L163 Y182 I187 V191 K196 A197 L199	L139-I189 HydrophobicContact CD2-CD1 3.62Å; I151-I189 HydrophobicContact CD1-CB 4.47Å; I151-I189 HydrophobicContact CD1-CG2 3.65Å; L163-I189 HydrophobicContact CD1-CD1 3.95Å; L163-I189 HydrophobicContact CD1-CG1 4.38Å; Y182-I189 HydrophobicContact CD1-CD1 4.17Å; Y182-I189 HydrophobicContact CD1-CG1 3.41Å; Y182-I189 VanDerWaalsContact CD1-CG1 3.41Å; Y182-I189 HydrophobicContact CE1-CB 4.49Å; Y182-I189 HydrophobicContact CE1-CG1 3.58Å; Y182-I189 HydrophobicContact CG-CD1 4.43Å; Y182-I189 HydrophobicContact CG-CG1 4.13Å; I187-I189 PolarHBondContact O-N 2.7Å; I189-V191 PolarHBondContact O-N 2.83Å; I189-K196 VanDerWaalsContact O-CA 3.32Å; I189-K196 WeakPolarHBondContact O-CA 3.32Å; I189-A197 PolarHBondContact N-O 3.39Å; I189-A197 PolarHBondContact O-N 2.86Å; I189-L199 HydrophobicContact CD1-CD1 4.31Å; I189-L199 HydrophobicContact CD1-CD2 3.86Å; I189-L199 HydrophobicContact CD1-CG 4.01Å
190	K	82.4	Confident	80.6	Confident	148 Å²	148	67.9 Å²	67.9	64%	0.643	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.8	103.3	174.7	-66.3	174.1	-173.7	164.1	0	108.9
191	V	72.8	Confident	80.5	Confident	33 Å²	33	71 Å²	71	20%	0.2	33%	0.331	C	S	.	.			trans	-79.4	-58.4	-179.9	-169.2	0	0	0	0	111	S149 I151 I189 L195 A197	S149-V191 VanDerWaalsContact CB-CG1 3.45Å; S149-V191 WeakPolarHBondContact OG-CG1 3.33Å; I151-V191 HydrophobicContact CD1-CB 4.44Å; I151-V191 HydrophobicContact CD1-CG1 4.29Å; I151-V191 HydrophobicContact CD1-CG2 3.78Å; I151-V191 HydrophobicContact CG1-CG1 4.11Å; I151-V191 HydrophobicContact CG1-CG2 4.49Å; I189-V191 PolarHBondContact O-N 2.83Å; V191-L195 PolarHBondContact N-O 2.74Å; V191-A197 HydrophobicContact CG2-CB 3.84Å
192	L	61.3	Low	80.6	Confident	115 Å²	115	72 Å²	72	60%	0.602	34%	0.34	S	S	*	.	S	Bend	trans	-125.9	166.5	179.3	-67.6	174.8	0	0	0	108.3	K194 L195	L192-K194 PolarHBondContact O-N 3.23Å; L192-L195 HydrophobicContact CB-CB 4.36Å; L192-L195 HydrophobicContact CB-CD1 4.22Å; L192-L195 HydrophobicContact CB-CG 4.48Å; L192-L195 HydrophobicContact CD1-CD1 4.09Å; L192-L195 PolarHBondContact O-N 2.96Å
193	K	60.4	Low	80.4	Confident	221 Å²	221	73.1 Å²	73.1	96%	0.961	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.9	-16.5	-168.5	-70	-177.5	177.8	176.8	0	117
194	K	66.7	Low	80	Confident	200 Å²	200	72.4 Å²	72.4	87%	0.87	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.9	-13.2	175.1	-63.6	-176.1	178.1	-179.2	0	114.8	L192	L192-K194 PolarHBondContact O-N 3.23Å
195	L	74.3	Confident	79.7	Confident	33 Å²	33	69.5 Å²	69.5	17%	0.173	34%	0.336	C	S	.	.			trans	-93.6	142.3	-169.7	-64.7	175.6	0	0	0	111.1	D143 E145 I147 V191 L192	D143-L195 WeakPolarHBondContact OD2-CB 3.47Å; D143-L195 WeakPolarHBondContact OD2-CD1 3.48Å; E145-L195 HydrophobicContact CB-CD2 4.14Å; E145-L195 HydrophobicContact CG-CD2 3.63Å; I147-L195 HydrophobicContact CD1-CD1 3.93Å; I147-L195 HydrophobicContact CD1-CD2 4.4Å; V191-L195 PolarHBondContact N-O 2.74Å; L192-L195 HydrophobicContact CB-CB 4.36Å; L192-L195 HydrophobicContact CB-CD1 4.22Å; L192-L195 HydrophobicContact CB-CG 4.48Å; L192-L195 HydrophobicContact CD1-CD1 4.09Å; L192-L195 PolarHBondContact O-N 2.96Å
196	K	85.1	Confident	79.2	Confident	107 Å²	107	70.7 Å²	70.7	47%	0.465	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	130.1	-178.8	-71.9	178.1	177.8	-178.9	0	109.1	D144 P188 I189	D144-K196 WeakPolarHBondContact CB-O 3.47Å; D144-K196 PolarHBondContact N-O 2.88Å; P188-K196 HydrophobicContact CB-CB 4.12Å; P188-K196 HydrophobicContact CB-CD 3.99Å; P188-K196 HydrophobicContact CB-CG 4.2Å; P188-K196 HydrophobicContact CG-CD 4.48Å; I189-K196 VanDerWaalsContact O-CA 3.32Å; I189-K196 WeakPolarHBondContact O-CA 3.32Å
197	A	86.9	Confident	78.2	Confident	0 Å²	0	74.6 Å²	74.6	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	144.3	170.7	0	0	0	0	0	109.5	V141 D143 P188 I189 V191	V141-A197 HydrophobicContact CB-CB 4.42Å; V141-A197 HydrophobicContact CG1-CB 3.62Å; V141-A197 HydrophobicContact CG2-CB 3.86Å; D143-A197 HydrophobicContact CB-CB 3.99Å; P188-A197 CarbonylContact C-O 3.54Å; P188-A197 WeakPolarHBondContact CA-O 3.45Å; I189-A197 PolarHBondContact N-O 3.39Å; I189-A197 PolarHBondContact O-N 2.86Å; V191-A197 HydrophobicContact CG2-CB 3.84Å
198	R	89.7	Confident	77	Confident	70 Å²	70	75.4 Å²	75.4	26%	0.264	36%	0.355	S	S	.	.			trans	-125.1	133.4	170.4	-80	-179.4	165.5	136.2	-13.8	108.8	G123 Q186 P188 R200	G123-R198 WeakPolarHBondContact CA-O 3.14Å; Q186-R198 PolarHBondContact O-NE 2.93Å; Q186-R198 VanDerWaalsContact O-NE 3.11Å; P188-R198 HydrophobicContact CB-CG 4.34Å; R198-R200 HydrophobicContact CB-CG 4.36Å; R198-R200 PolarHBondContact O-N 3.23Å
199	L	88.9	Confident	74.9	Confident	0 Å²	0	77.4 Å²	77.4	0%	0	36%	0.36	C	S	.	.			trans	-75.6	118.5	176.4	-52.1	-172	0	0	0	108.5	Y125 L139 V141 I179 Y183 Q186 I189	Y125-L199 HydrophobicContact CD1-CB 3.82Å; Y125-L199 HydrophobicContact CD1-CD2 4.03Å; Y125-L199 HydrophobicContact CD1-CG 4.44Å; Y125-L199 HydrophobicContact CD2-CD1 4.47Å; Y125-L199 HydrophobicContact CD2-CD2 4.15Å; Y125-L199 HydrophobicContact CE1-CB 3.68Å; Y125-L199 HydrophobicContact CE2-CD1 4.35Å; Y125-L199 HydrophobicContact CG-CB 4.35Å; Y125-L199 HydrophobicContact CG-CD2 3.77Å; Y125-L199 HydrophobicContact CG-CG 4.5Å; L139-L199 HydrophobicContact CD1-CD2 4.09Å; L139-L199 HydrophobicContact CD2-CD2 4.13Å; V141-L199 HydrophobicContact CB-CD2 4.42Å; V141-L199 HydrophobicContact CG2-CD2 4.03Å; I179-L199 HydrophobicContact CD1-CD1 3.99Å; I179-L199 HydrophobicContact CG2-CD1 4Å; Y183-L199 HydrophobicContact CD2-CB 4.14Å; Y183-L199 WeakPolarHBondContact CD2-O 3.44Å; Q186-L199 PolarHBondContact NE2-O 2.86Å; I189-L199 HydrophobicContact CD1-CD1 4.31Å; I189-L199 HydrophobicContact CD1-CD2 3.86Å; I189-L199 HydrophobicContact CD1-CG 4.01Å
200	R	85.3	Confident	72.3	Confident	80 Å²	80	81.3 Å²	81.3	30%	0.302	38%	0.377	S	S	.	.			trans	-130.2	-37	-176.8	-57.5	-175.4	-160.1	-166	9.2	113.4	G123 D144 R198	G123-R200 PolarHBondContact O-N 3.26Å; D144-R200 IonicContact OD1-CZ 3.35Å; D144-R200 IonicContact OD1-NH2 2.81Å; D144-R200 PolarHBondContact OD1-NH2 2.92Å; R198-R200 HydrophobicContact CB-CG 4.36Å; R198-R200 PolarHBondContact O-N 3.23Å
201	Y	85.8	Confident	69.9	Low	99 Å²	99	76.7 Å²	76.7	39%	0.388	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	99.2	-173.7	-50.9	-70.7	0	0	0	109.5	G123 E124 Y125 L203	G123-Y201 PolarHBondContact O-N 3.1Å; E124-Y201 VanDerWaalsContact CA-O 3.28Å; E124-Y201 WeakPolarHBondContact CA-O 3.42Å; E124-Y201 HydrophobicContact CG-CD2 4.24Å; E124-Y201 HydrophobicContact CG-CG 4.38Å; Y125-Y201 WeakPolarHBondContact CD1-O 3.3Å; Y125-Y201 PolarHBondContact N-O 2.8Å; Y201-L203 PolarHBondContact O-N 3.04Å
202	P	87.2	Confident	67.8	Low	44 Å²	44	79.1 Å²	79.1	29%	0.286	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	124	172.6	23.9	-30.2	0	0	0	109.7	Y105 Y125 I204	Y105-P202 HydrophobicContact CD1-CB 3.57Å; Y105-P202 HydrophobicContact CE1-CB 4.41Å; Y105-P202 HydrophobicContact CG-CB 3.78Å; Y125-P202 HydrophobicContact CE1-CB 4.01Å; Y125-P202 HydrophobicContact CE1-CG 4.45Å; Y125-P202 VanDerWaalsContact CE1-N 3.35Å; Y125-P202 HydrophobicContact CE2-CB 4.19Å; P202-I204 PolarHBondContact O-N 3Å
203	L	83.6	Confident	66.2	Low	34 Å²	34	78.4 Å²	78.4	18%	0.178	38%	0.378	C	S	.	.			trans	-81.7	109.6	171.8	-63.3	169.6	0	0	0	108.4	Y105 H107 L118 P119 E124 Y125 L126 Y201	Y105-L203 VanDerWaalsContact CA-O 3.29Å; Y105-L203 WeakPolarHBondContact CA-O 3.49Å; Y105-L203 WeakPolarHBondContact CB-O 3.28Å; H107-L203 PolarHBondContact NE2-O 3.13Å; L118-L203 HydrophobicContact CB-CD1 4.17Å; P119-L203 HydrophobicContact CB-CD1 3.97Å; P119-L203 HydrophobicContact CG-CD1 3.67Å; E124-L203 HydrophobicContact CB-CD1 4.18Å; E124-L203 HydrophobicContact CB-CD2 4.18Å; E124-L203 HydrophobicContact CB-CG 4.14Å; E124-L203 HydrophobicContact CG-CD2 3.92Å; E124-L203 HydrophobicContact CG-CG 4.37Å; Y125-L203 PolarHBondContact O-N 3.36Å; L126-L203 HydrophobicContact CB-CB 4.31Å; L126-L203 HydrophobicContact CD2-CD1 4.07Å; Y201-L203 PolarHBondContact O-N 3.04Å
204	I	77.5	Confident	64.9	Low	64 Å²	64	72.9 Å²	72.9	33%	0.328	36%	0.358	S	S	.	.			trans	-67.1	138.2	179.2	-45.8	-57.3	0	0	0	109.1	P104 P202 P206 F208 E209	P104-I204 HydrophobicContact CB-CD1 3.75Å; P104-I204 HydrophobicContact CB-CG2 4.18Å; P104-I204 CarbonylContact O-C 3.58Å; P104-I204 VanDerWaalsContact O-CA 3.29Å; P104-I204 WeakPolarHBondContact O-CA 3.25Å; P104-I204 WeakPolarHBondContact O-CG2 3.44Å; P202-I204 PolarHBondContact O-N 3Å; I204-P206 WeakPolarHBondContact O-CD 3.33Å; I204-F208 HydrophobicContact CG2-CB 4.38Å; I204-F208 HydrophobicContact CG2-CD1 4.03Å; I204-E209 HydrophobicContact CB-CG 4.41Å; I204-E209 HydrophobicContact CG2-CG 3.69Å
205	D	72.5	Confident	63.2	Low	27 Å²	27	69.4 Å²	69.4	14%	0.144	35%	0.345	C	S	.	.			trans	-67.7	125.2	171.3	-177.8	-9.6	0	0	0	109	P104 H107 E207 F208 E209	P104-D205 PolarHBondContact O-N 3.42Å; H107-D205 WeakPolarHBondContact CA-OD2 3.44Å; D205-E207 PolarHBondContact O-N 2.85Å; D205-E207 VanDerWaalsContact O-N 3.16Å; D205-E207 WeakPolarHBondContact OD1-CB 3.5Å; D205-E207 PolarHBondContact OD1-N 2.86Å; D205-F208 HydrophobicContact CB-CB 4.07Å; D205-F208 WeakPolarHBondContact O-CA 3.39Å; D205-F208 VanDerWaalsContact O-CB 3.27Å; D205-F208 WeakPolarHBondContact O-CB 3.27Å; D205-F208 PolarHBondContact O-N 3.02Å; D205-E209 PolarHBondContact O-N 3.21Å
206	P	64.6	Low	61	Low	72 Å²	72	76.3 Å²	76.3	47%	0.468	38%	0.376	S	S	.	.	H	α-helix	trans	-53.4	-29.8	172.2	-27.2	36.3	0	0	0	114	I204 E209 K210	I204-P206 WeakPolarHBondContact O-CD 3.33Å; P206-E209 CarbonylContact O-C 3.51Å; P206-E209 PolarHBondContact O-N 2.64Å; P206-K210 WeakPolarHBondContact O-CG 3.44Å; P206-K210 PolarHBondContact O-N 2.87Å
207	E	60.6	Low	58.5	Low	113 Å²	113	75.7 Å²	75.7	53%	0.528	38%	0.382	S	S	.	.	H	α-helix	trans	-69.8	-33	173.7	-54.8	-59.7	137.1	0	0	111.9	D205 E209 K210 G211	D205-E207 PolarHBondContact O-N 2.85Å; D205-E207 VanDerWaalsContact O-N 3.16Å; D205-E207 WeakPolarHBondContact OD1-CB 3.5Å; D205-E207 PolarHBondContact OD1-N 2.86Å; E207-E209 VanDerWaalsContact C-N 3.3Å; E207-K210 PolarHBondContact O-N 3.36Å; E207-K210 VanDerWaalsContact OE1-CE 3.26Å; E207-K210 WeakPolarHBondContact OE1-CE 3.2Å; E207-K210 IonicContact OE1-NZ 3.42Å; E207-K210 PolarHBondContact OE1-NZ 3Å; E207-K210 WeakPolarHBondContact OE2-CD 3.13Å; E207-K210 WeakPolarHBondContact OE2-CE 3.22Å; E207-K210 IonicContact OE2-NZ 2.65Å; E207-K210 PolarHBondContact OE2-NZ 2.85Å; E207-G211 PolarHBondContact O-N 3.28Å
208	F	57.1	Low	56	Low	72 Å²	72	81.9 Å²	81.9	32%	0.316	42%	0.42	S	S	.	.	H	α-helix	trans	-67	-34.6	169.7	-169.9	-83.9	0	0	0	111	P104 I204 D205 L212	P104-F208 HydrophobicContact CB-CD1 3.89Å; P104-F208 HydrophobicContact CB-CE1 3.71Å; P104-F208 HydrophobicContact CB-CE2 4.37Å; P104-F208 HydrophobicContact CB-CG 4.32Å; P104-F208 HydrophobicContact CB-CZ 3.98Å; P104-F208 HydrophobicContact CG-CD1 4.5Å; P104-F208 HydrophobicContact CG-CE1 3.84Å; P104-F208 HydrophobicContact CG-CE2 4.27Å; P104-F208 HydrophobicContact CG-CZ 3.72Å; I204-F208 HydrophobicContact CG2-CB 4.38Å; I204-F208 HydrophobicContact CG2-CD1 4.03Å; D205-F208 HydrophobicContact CB-CB 4.07Å; D205-F208 WeakPolarHBondContact O-CA 3.39Å; D205-F208 VanDerWaalsContact O-CB 3.27Å; D205-F208 WeakPolarHBondContact O-CB 3.27Å; D205-F208 PolarHBondContact O-N 3.02Å; F208-L212 HydrophobicContact CE1-CD1 4.44Å
209	E	42.1	Very low	53.5	Low	88 Å²	88	85 Å²	85	41%	0.411	44%	0.442	S	S	.	.	H	α-helix	trans	-74	-26.1	170.9	-62.7	-161.9	153.1	0	0	113.6	I204 D205 P206 E207 G211 L212 L213	I204-E209 HydrophobicContact CB-CG 4.41Å; I204-E209 HydrophobicContact CG2-CG 3.69Å; D205-E209 PolarHBondContact O-N 3.21Å; P206-E209 CarbonylContact O-C 3.51Å; P206-E209 PolarHBondContact O-N 2.64Å; E207-E209 VanDerWaalsContact C-N 3.3Å; E209-G211 VanDerWaalsContact C-N 3.28Å; E209-G211 PolarHBondContact O-N 3.32Å; E209-L212 CarbonylContact O-C 3.59Å; E209-L212 VanDerWaalsContact O-CA 3.31Å; E209-L212 WeakPolarHBondContact O-CA 3.24Å; E209-L212 WeakPolarHBondContact O-CB 3.46Å; E209-L212 PolarHBondContact O-N 2.83Å; E209-L213 HydrophobicContact CB-CD1 3.98Å; E209-L213 WeakPolarHBondContact O-CB 3.47Å; E209-L213 VanDerWaalsContact O-CG 3.26Å; E209-L213 WeakPolarHBondContact O-CG 3.24Å; E209-L213 PolarHBondContact O-N 3.03Å
210	K	34.4	Very low	50.9	Low	88 Å²	88	90.9 Å²	90.9	38%	0.383	48%	0.483	S	S	.	.	H	α-helix	trans	-61.5	-36.9	173	-75.4	-174	-160.2	163	0	112.4	P206 E207 L212 L213	P206-K210 WeakPolarHBondContact O-CG 3.44Å; P206-K210 PolarHBondContact O-N 2.87Å; E207-K210 PolarHBondContact O-N 3.36Å; E207-K210 VanDerWaalsContact OE1-CE 3.26Å; E207-K210 WeakPolarHBondContact OE1-CE 3.2Å; E207-K210 IonicContact OE1-NZ 3.42Å; E207-K210 PolarHBondContact OE1-NZ 3Å; E207-K210 WeakPolarHBondContact OE2-CD 3.13Å; E207-K210 WeakPolarHBondContact OE2-CE 3.22Å; E207-K210 IonicContact OE2-NZ 2.65Å; E207-K210 PolarHBondContact OE2-NZ 2.85Å; K210-L212 PolarHBondContact O-N 3.47Å; K210-L213 PolarHBondContact O-N 3.2Å; K210-L213 VanDerWaalsContact O-N 3.1Å
211	G	31.8	Very low	49	Very low	50 Å²	50	95.5 Å²	95.5	52%	0.515	51%	0.508	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-9.2	169	0	0	0	0	0	114.7	E207 E209	E207-G211 PolarHBondContact O-N 3.28Å; E209-G211 VanDerWaalsContact C-N 3.28Å; E209-G211 PolarHBondContact O-N 3.32Å
212	L	29.2	Very low	47.7	Very low	84 Å²	84	99.2 Å²	99.2	44%	0.44	53%	0.526	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.4	-13.3	175.3	-58.2	169.9	0	0	0	112.5	F208 E209 K210	F208-L212 HydrophobicContact CE1-CD1 4.44Å; E209-L212 CarbonylContact O-C 3.59Å; E209-L212 VanDerWaalsContact O-CA 3.31Å; E209-L212 WeakPolarHBondContact O-CA 3.24Å; E209-L212 WeakPolarHBondContact O-CB 3.46Å; E209-L212 PolarHBondContact O-N 2.83Å; K210-L212 PolarHBondContact O-N 3.47Å
213	L	27.3	Very low	46.4	Very low	100 Å²	100	100.2 Å²	100.2	52%	0.524	52%	0.524	S	S	.	.	S	Bend	trans	-111.9	90.2	-174.5	-72.1	167.3	0	0	0	110.8	E209 K210 E215	E209-L213 HydrophobicContact CB-CD1 3.98Å; E209-L213 WeakPolarHBondContact O-CB 3.47Å; E209-L213 VanDerWaalsContact O-CG 3.26Å; E209-L213 WeakPolarHBondContact O-CG 3.24Å; E209-L213 PolarHBondContact O-N 3.03Å; K210-L213 PolarHBondContact O-N 3.2Å; K210-L213 VanDerWaalsContact O-N 3.1Å; L213-E215 PolarHBondContact O-N 2.72Å
214	I	32	Very low	45.6	Very low	106 Å²	106	101.5 Å²	101.5	54%	0.544	53%	0.533	S	S	.	.			trans	33.9	64.8	146.4	-54.2	174.9	0	0	0	113.7	P303 L305	I214-P303 HydrophobicContact CB-CG 4.49Å; I214-P303 HydrophobicContact CD1-CG 4.19Å; I214-P303 HydrophobicContact CG1-CB 4.3Å; I214-P303 HydrophobicContact CG1-CG 3.36Å; I214-L305 HydrophobicContact CB-CD1 4.48Å; I214-L305 HydrophobicContact CG2-CD1 3.66Å; I214-L305 HydrophobicContact CG2-CD2 3.53Å; I214-L305 HydrophobicContact CG2-CG 3.66Å
215	E	30.8	Very low	45	Very low	126 Å²	126	99 Å²	99	59%	0.589	52%	0.52	S	S	*	.			trans	-79.2	118.9	171.8	-77.2	-159.9	152.7	0	0	110.6	L213 T217 L305	L213-E215 PolarHBondContact O-N 2.72Å; E215-T217 VanDerWaalsContact C-N 3.26Å; E215-T217 PolarHBondContact O-N 2.85Å; E215-T217 PolarHBondContact O-OG1 2.71Å; E215-L305 WeakPolarHBondContact O-CD1 3.48Å
216	E	29.8	Very low	44.6	Very low	178 Å²	178	97.7 Å²	97.7	83%	0.832	51%	0.514	S	S	*	.			trans	-55.9	75.2	179.8	-68.9	-171.9	156.7	0	0	114.1	T218	E216-T218 PolarHBondContact O-N 3.11Å
217	T	32.6	Very low	45	Very low	95 Å²	95	94.8 Å²	94.8	58%	0.583	49%	0.494	S	S	*	.			trans	-83.7	109.7	-179.9	45.5	0	0	0	0	110.8	E215 N219	E215-T217 VanDerWaalsContact C-N 3.26Å; E215-T217 PolarHBondContact O-N 2.85Å; E215-T217 PolarHBondContact O-OG1 2.71Å; T217-N219 PolarHBondContact O-N 3.08Å
218	T	34	Very low	45.6	Very low	130 Å²	130	90.5 Å²	90.5	80%	0.798	47%	0.473	S	S	*	.			trans	-69.8	7.2	178.5	46.5	0	0	0	0	114.9	E216	E216-T218 PolarHBondContact O-N 3.11Å
219	N	35.7	Very low	46.3	Very low	135 Å²	135	88.8 Å²	88.8	72%	0.722	47%	0.467	S	S	*	.			trans	-109.5	96	-174.4	-83.7	-40.5	0	0	0	112.4	T217 Q221	T217-N219 PolarHBondContact O-N 3.08Å; N219-Q221 PolarHBondContact O-N 3.22Å
220	S	34.9	Very low	47.6	Very low	123 Å²	123	88 Å²	88	86%	0.86	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	34.9	-179.9	49.8	0	0	0	0	115.6
221	Q	45.6	Very low	48.9	Very low	178 Å²	178	85.6 Å²	85.6	83%	0.832	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-144.1	-0.5	-167.2	-118.2	174.1	0.8	0	0	119.5	N219	N219-Q221 PolarHBondContact O-N 3.22Å
222	K	57.9	Low	50.2	Low	176 Å²	176	85.4 Å²	85.4	77%	0.765	46%	0.458	S	S	*	.			trans	-139.9	84.2	172	-76.5	-166	174.3	-169.4	0	113
223	W	60.8	Low	51.2	Low	66 Å²	66	85.9 Å²	85.9	25%	0.25	46%	0.461	C	S	.	.			trans	-67.2	136.4	159	-67	32.3	0	0	0	108.8	D227 L229 L243 K245 Y250 V304	W223-D227 WeakPolarHBondContact CA-OD2 3.44Å; W223-D227 HydrophobicContact CB-CB 4.15Å; W223-D227 HydrophobicContact CE3-CB 4.29Å; W223-L229 HydrophobicContact CH2-CB 3.41Å; W223-L229 VanDerWaalsContact CH2-CB 3.41Å; W223-L229 HydrophobicContact CH2-CD2 3.94Å; W223-L229 HydrophobicContact CH2-CG 4.33Å; W223-L229 HydrophobicContact CZ2-CB 3.98Å; W223-L229 HydrophobicContact CZ2-CD2 3.96Å; W223-L229 HydrophobicContact CZ3-CB 4.09Å; W223-L243 HydrophobicContact CH2-CB 4.39Å; W223-K245 HydrophobicContact CB-CB 4.31Å; W223-K245 HydrophobicContact CB-CD 3.54Å; W223-K245 HydrophobicContact CE3-CB 3.79Å; W223-K245 WeakPolarHBondContact O-CD 3.15Å; W223-K245 WeakPolarHBondContact O-CE 3.35Å; W223-K245 PolarHBondContact O-NZ 2.84Å; W223-Y250 AromaticContact CD2-CE1 3.95Å; W223-Y250 HydrophobicContact CD2-CE1 3.95Å; W223-Y250 HydrophobicContact CE3-CD1 4.03Å; W223-Y250 AromaticContact CE3-CE1 3.58Å; W223-Y250 HydrophobicContact CE3-CE1 3.58Å; W223-Y250 HydrophobicContact CH2-CD1 4.47Å; W223-Y250 HydrophobicContact CH2-CE1 4.37Å; W223-Y250 AromaticContact CZ3-CD1 3.85Å; W223-Y250 HydrophobicContact CZ3-CD1 3.85Å; W223-Y250 AromaticContact CZ3-CE1 3.81Å; W223-Y250 HydrophobicContact CZ3-CE1 3.81Å; W223-V304 HydrophobicContact CD2-CG1 4.29Å; W223-V304 HydrophobicContact CD2-CG2 3.56Å; W223-V304 HydrophobicContact CE3-CG2 3.59Å; W223-V304 HydrophobicContact CG-CG2 4.15Å; W223-V304 HydrophobicContact CH2-CG2 4.18Å; W223-V304 HydrophobicContact CZ2-CB 4.37Å; W223-V304 HydrophobicContact CZ2-CG1 3.85Å; W223-V304 HydrophobicContact CZ2-CG2 4.08Å; W223-V304 HydrophobicContact CZ3-CG2 3.92Å
224	T	67.4	Low	52.1	Low	60 Å²	60	85.6 Å²	85.6	37%	0.368	47%	0.473	S	S	.	.			trans	-97.1	-171.3	172.1	91.8	0	0	0	0	111.9	D227 K245	T224-D227 WeakPolarHBondContact CA-OD1 3.43Å; T224-D227 WeakPolarHBondContact CB-OD1 3.3Å; T224-D227 PolarHBondContact N-OD1 2.8Å; T224-D227 PolarHBondContact N-OD2 3.22Å; T224-D227 WeakPolarHBondContact O-CB 3.15Å; T224-D227 PolarHBondContact OG1-OD1 2.94Å; T224-K245 WeakPolarHBondContact O-CB 3.25Å; T224-K245 WeakPolarHBondContact O-CD 3.29Å; T224-K245 WeakPolarHBondContact O-CG 3.47Å
225	N	64	Low	52.5	Low	11 Å²	11	87.4 Å²	87.4	6%	0.059	48%	0.484	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	136.3	176.8	-74.8	5.6	0	0	0	109.4	D227 W246 G247 R534	N225-D227 PolarHBondContact O-N 2.89Å; N225-W246 HydrophobicContact CB-CE3 4.14Å; N225-W246 HydrophobicContact CB-CZ3 4.26Å; N225-G247 VanDerWaalsContact CG-N 3.27Å; N225-G247 PolarHBondContact ND2-N 2.74Å; N225-G247 WeakPolarHBondContact OD1-CA 3.2Å; N225-G247 PolarHBondContact OD1-N 3.2Å; N225-R534 WeakPolarHBondContact ND2-CD 3.47Å
226	G	63.7	Low	53.6	Low	0 Å²	0	83.9 Å²	83.9	0%	0	47%	0.469	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.7	-0.5	-175.3	0	0	0	0	0	114.2	Y228 K245 M299 L301 Q302	G226-Y228 PolarHBondContact O-N 3.39Å; G226-K245 PolarHBondContact N-O 3.32Å; G226-M299 WeakPolarHBondContact CA-O 3.46Å; G226-L301 PolarHBondContact O-N 3.5Å; G226-Q302 PolarHBondContact O-N 3.38Å; G226-Q302 VanDerWaalsContact O-N 3.15Å
227	D	73.4	Confident	54.6	Low	12 Å²	12	79.7 Å²	79.7	6%	0.064	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	122.4	160.9	-75.8	39.6	0	0	0	109.3	W223 T224 N225 V244 K245 Q302 V304	W223-D227 WeakPolarHBondContact CA-OD2 3.44Å; W223-D227 HydrophobicContact CB-CB 4.15Å; W223-D227 HydrophobicContact CE3-CB 4.29Å; T224-D227 WeakPolarHBondContact CA-OD1 3.43Å; T224-D227 WeakPolarHBondContact CB-OD1 3.3Å; T224-D227 PolarHBondContact N-OD1 2.8Å; T224-D227 PolarHBondContact N-OD2 3.22Å; T224-D227 WeakPolarHBondContact O-CB 3.15Å; T224-D227 PolarHBondContact OG1-OD1 2.94Å; N225-D227 PolarHBondContact O-N 2.89Å; D227-V244 CarbonylContact O-C 3.45Å; D227-V244 WeakPolarHBondContact O-CA 3.33Å; D227-K245 PolarHBondContact O-N 3.26Å; D227-Q302 CarbonylContact C-O 3.43Å; D227-Q302 WeakPolarHBondContact CA-O 3.38Å; D227-Q302 WeakPolarHBondContact OD1-CG 3.2Å; D227-Q302 PolarHBondContact OD1-NE2 2.92Å; D227-V304 HydrophobicContact CB-CG2 3.73Å
228	Y	74	Confident	55.5	Low	23 Å²	23	76.9 Å²	76.9	9%	0.09	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	129.1	-179.9	67.2	-94.6	0	0	0	113.8	G226 V242 L243 L285 T289 L300 Q302 P303 V304	G226-Y228 PolarHBondContact O-N 3.39Å; Y228-V242 HydrophobicContact CD2-CG1 4.3Å; Y228-V242 HydrophobicContact CG-CG1 4.41Å; Y228-L243 CarbonylContact C-O 3.34Å; Y228-L243 VanDerWaalsContact CA-O 3.29Å; Y228-L243 WeakPolarHBondContact CA-O 3.35Å; Y228-L285 HydrophobicContact CD2-CD2 4Å; Y228-L285 HydrophobicContact CE2-CB 4.32Å; Y228-L285 HydrophobicContact CE2-CD1 4.03Å; Y228-L285 HydrophobicContact CE2-CD2 3.81Å; Y228-L285 HydrophobicContact CE2-CG 4.27Å; Y228-T289 HydrophobicContact CE1-CG2 3.69Å; Y228-L300 HydrophobicContact CD1-CB 3.73Å; Y228-L300 HydrophobicContact CD1-CD1 4.27Å; Y228-L300 HydrophobicContact CD1-CD2 4.03Å; Y228-L300 HydrophobicContact CD1-CG 4.23Å; Y228-L300 HydrophobicContact CE1-CB 3.95Å; Y228-L300 HydrophobicContact CE1-CD1 4.46Å; Y228-L300 HydrophobicContact CG-CB 4.48Å; Y228-L300 HydrophobicContact CG-CD1 4.33Å; Y228-L300 HydrophobicContact CG-CD2 3.99Å; Y228-Q302 WeakPolarHBondContact CD1-O 3.42Å; Y228-Q302 WeakPolarHBondContact CE1-O 3.24Å; Y228-Q302 PolarHBondContact N-O 3.17Å; Y228-P303 HydrophobicContact CD2-CB 4.45Å; Y228-P303 HydrophobicContact CE1-CB 4.43Å; Y228-P303 HydrophobicContact CE2-CB 3.78Å; Y228-P303 CarbonylContact O-C 3.55Å; Y228-P303 WeakPolarHBondContact O-CA 3.45Å; Y228-V304 PolarHBondContact O-N 3.44Å
229	L	69.9	Low	56.3	Low	36 Å²	36	74 Å²	74	19%	0.188	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	130.9	172.1	179.7	62.5	0	0	0	110.3	W223 L243 V304 V306	W223-L229 HydrophobicContact CH2-CB 3.41Å; W223-L229 VanDerWaalsContact CH2-CB 3.41Å; W223-L229 HydrophobicContact CH2-CD2 3.94Å; W223-L229 HydrophobicContact CH2-CG 4.33Å; W223-L229 HydrophobicContact CZ2-CB 3.98Å; W223-L229 HydrophobicContact CZ2-CD2 3.96Å; W223-L229 HydrophobicContact CZ3-CB 4.09Å; L229-L243 HydrophobicContact CB-CB 4.3Å; L229-L243 HydrophobicContact CD2-CD1 4.41Å; L229-L243 PolarHBondContact N-O 3.33Å; L229-L243 PolarHBondContact O-N 3.02Å; L229-V304 HydrophobicContact CB-CB 4.01Å; L229-V304 HydrophobicContact CB-CG1 4.47Å; L229-V304 HydrophobicContact CB-CG2 4.38Å; L229-V304 HydrophobicContact CD1-CB 4.3Å; L229-V304 HydrophobicContact CD1-CG1 4.37Å; L229-V306 HydrophobicContact CD1-CB 4.47Å; L229-V306 HydrophobicContact CD1-CG2 3.49Å; L229-V306 VanDerWaalsContact CD1-CG2 3.49Å; L229-V306 HydrophobicContact CD2-CG2 4.36Å
230	L	70.9	Confident	57.7	Low	72 Å²	72	69.2 Å²	69.2	38%	0.377	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	119.7	165.7	-167.4	69.6	0	0	0	109.7	K240 V242 L255 V281 L285	L230-K240 HydrophobicContact CD1-CB 3.97Å; L230-V242 HydrophobicContact CD1-CG2 3.87Å; L230-L255 HydrophobicContact CD1-CD1 4.26Å; L230-V281 HydrophobicContact CD1-CG1 3.77Å; L230-V281 HydrophobicContact CD2-CG1 3.61Å; L230-V281 HydrophobicContact CG-CG1 4.35Å; L230-L285 HydrophobicContact CD1-CD1 4.46Å
231	S	61.3	Low	59.2	Low	36 Å²	36	64.8 Å²	64.8	25%	0.252	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	144.4	178.2	67.2	0	0	0	0	111.7	T241	S231-T241 PolarHBondContact N-O 2.71Å; S231-T241 PolarHBondContact O-N 2.99Å; S231-T241 PolarHBondContact OG-O 3.02Å
232	G	58.9	Low	60.5	Low	46 Å²	46	56.3 Å²	56.3	47%	0.474	32%	0.323	S	S	.	.	S	Bend	trans	153	149.9	178.8	0	0	0	0	0	111.1	A234	G232-A234 PolarHBondContact O-N 3.43Å
233	D	50.3	Low	61	Low	94 Å²	94	50.3 Å²	50.3	50%	0.503	30%	0.299	S	S	.	.			trans	-58.3	134.6	179	-171.4	-18.8	0	0	0	110	N235 D236 K240	D233-N235 PolarHBondContact O-N 2.64Å; D233-N235 WeakPolarHBondContact OD1-CB 3.48Å; D233-N235 PolarHBondContact OD1-N 3.2Å; D233-N235 PolarHBondContact OD1-ND2 3.37Å; D233-D236 HydrophobicContact CB-CB 3.9Å; D233-D236 PolarHBondContact O-N 2.87Å; D233-K240 PolarHBondContact O-NZ 3.4Å
234	A	46.6	Very low	61.4	Low	94 Å²	94	47.1 Å²	47.1	78%	0.777	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-28	174.2	0	0	0	0	0	111.9	G232	G232-A234 PolarHBondContact O-N 3.43Å
235	N	40.6	Very low	61.4	Low	145 Å²	145	46.2 Å²	46.2	78%	0.775	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-16.7	-179.7	-52	-71.3	0	0	0	113.6	D233	D233-N235 PolarHBondContact O-N 2.64Å; D233-N235 WeakPolarHBondContact OD1-CB 3.48Å; D233-N235 PolarHBondContact OD1-N 3.2Å; D233-N235 PolarHBondContact OD1-ND2 3.37Å
236	D	54.1	Low	61.4	Low	52 Å²	52	48.2 Å²	48.2	28%	0.278	29%	0.285	S	S	.	.			trans	-91.8	106.1	175	-168.4	-11.4	0	0	0	110.3	D233 S238	D233-D236 HydrophobicContact CB-CB 3.9Å; D233-D236 PolarHBondContact O-N 2.87Å; D236-S238 PolarHBondContact O-N 3.44Å; D236-S238 WeakPolarHBondContact OD1-CA 3.46Å; D236-S238 WeakPolarHBondContact OD1-CB 3.45Å; D236-S238 PolarHBondContact OD1-N 2.89Å; D236-S238 PolarHBondContact OD1-OG 3.38Å
237	S	50.5	Low	61.4	Low	89 Å²	89	48.6 Å²	48.6	62%	0.622	29%	0.289	S	S	*	.	S	Bend	trans	-71.9	-13	176.4	57.8	0	0	0	0	113.8
238	S	50.5	Low	60.6	Low	37 Å²	37	51.8 Å²	51.8	26%	0.259	31%	0.306	S	S	.	.	S	Bend	trans	-105.4	-13.1	-165.8	75.9	0	0	0	0	115.3	D236	D236-S238 PolarHBondContact O-N 3.44Å; D236-S238 WeakPolarHBondContact OD1-CA 3.46Å; D236-S238 WeakPolarHBondContact OD1-CB 3.45Å; D236-S238 PolarHBondContact OD1-N 2.89Å; D236-S238 PolarHBondContact OD1-OG 3.38Å
239	L	51.2	Low	59.3	Low	68 Å²	68	54 Å²	54	36%	0.356	32%	0.322	S	S	.	.			trans	-136.7	94.9	-174.5	-69.9	174.4	0	0	0	112.1
240	K	66	Low	58.9	Low	36 Å²	36	58.7 Å²	58.7	16%	0.157	34%	0.338	C	S	.	.			trans	-108.4	121.4	163.1	-57.6	-57.3	-177.9	-170	0	109.2	L230 D233 L255 W264 V281	L230-K240 HydrophobicContact CD1-CB 3.97Å; D233-K240 PolarHBondContact O-NZ 3.4Å; K240-L255 HydrophobicContact CB-CD1 4.39Å; K240-L255 PolarHBondContact O-N 3.31Å; K240-W264 HydrophobicContact CB-CH2 4.12Å; K240-W264 HydrophobicContact CB-CZ3 4.4Å; K240-W264 HydrophobicContact CG-CH2 3.76Å; K240-W264 HydrophobicContact CG-CZ2 4.24Å; K240-V281 HydrophobicContact CG-CG2 4.17Å
241	T	66.6	Low	58.4	Low	29 Å²	29	57.4 Å²	57.4	18%	0.178	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	120.8	-179.6	-58.2	0	0	0	0	108.4	S231 A252 F253	S231-T241 PolarHBondContact N-O 2.71Å; S231-T241 PolarHBondContact O-N 2.99Å; S231-T241 PolarHBondContact OG-O 3.02Å; T241-A252 HydrophobicContact CG2-CB 4.01Å; T241-F253 CarbonylContact C-O 3.55Å; T241-F253 WeakPolarHBondContact CA-O 3.41Å
242	V	72.5	Confident	58.4	Low	0 Å²	0	58.7 Å²	58.7	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	122.1	173.2	-177	0	0	0	0	107.9	Y228 L230 A252 F253 L255 L285 L300	Y228-V242 HydrophobicContact CD2-CG1 4.3Å; Y228-V242 HydrophobicContact CG-CG1 4.41Å; L230-V242 HydrophobicContact CD1-CG2 3.87Å; V242-A252 WeakPolarHBondContact O-CA 3.22Å; V242-F253 HydrophobicContact CB-CD1 4.05Å; V242-F253 HydrophobicContact CB-CD2 4.43Å; V242-F253 HydrophobicContact CB-CE1 3.56Å; V242-F253 HydrophobicContact CB-CE2 3.99Å; V242-F253 HydrophobicContact CB-CG 4.46Å; V242-F253 HydrophobicContact CB-CZ 3.54Å; V242-F253 HydrophobicContact CG1-CD1 4.4Å; V242-F253 HydrophobicContact CG1-CE1 3.56Å; V242-F253 HydrophobicContact CG1-CZ 3.66Å; V242-F253 HydrophobicContact CG2-CE1 4.46Å; V242-F253 HydrophobicContact CG2-CE2 4.09Å; V242-F253 HydrophobicContact CG2-CZ 3.94Å; V242-F253 PolarHBondContact N-O 2.71Å; V242-F253 PolarHBondContact O-N 2.73Å; V242-L255 HydrophobicContact CG2-CD1 3.96Å; V242-L255 HydrophobicContact CG2-CD2 3.79Å; V242-L255 HydrophobicContact CG2-CG 3.86Å; V242-L285 HydrophobicContact CG1-CD2 4.32Å; V242-L285 HydrophobicContact CG2-CD2 3.75Å; V242-L300 HydrophobicContact CG1-CD2 4.08Å
243	L	67.3	Low	58.9	Low	50 Å²	50	58.3 Å²	58.3	26%	0.262	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	103.5	173.6	-70.1	166.1	0	0	0	107.5	W223 Y228 L229 A252	W223-L243 HydrophobicContact CH2-CB 4.39Å; Y228-L243 CarbonylContact C-O 3.34Å; Y228-L243 VanDerWaalsContact CA-O 3.29Å; Y228-L243 WeakPolarHBondContact CA-O 3.35Å; L229-L243 HydrophobicContact CB-CB 4.3Å; L229-L243 HydrophobicContact CD2-CD1 4.41Å; L229-L243 PolarHBondContact N-O 3.33Å; L229-L243 PolarHBondContact O-N 3.02Å; L243-A252 HydrophobicContact CD2-CB 3.67Å
244	V	70.7	Confident	59.8	Low	0 Å²	0	62.4 Å²	62.4	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	133.4	175.9	61.5	0	0	0	0	110.1	D227 Y250 T251 F253 F298 L300	D227-V244 CarbonylContact O-C 3.45Å; D227-V244 WeakPolarHBondContact O-CA 3.33Å; V244-Y250 CarbonylContact O-C 3.54Å; V244-Y250 WeakPolarHBondContact O-CA 3.27Å; V244-T251 WeakPolarHBondContact CG1-O 3.44Å; V244-T251 PolarHBondContact N-O 3.48Å; V244-T251 PolarHBondContact O-N 2.96Å; V244-F253 HydrophobicContact CG1-CE1 4.36Å; V244-F298 HydrophobicContact CG1-CB 3.9Å; V244-F298 HydrophobicContact CG1-CD1 4.16Å; V244-F298 HydrophobicContact CG1-CD2 3.58Å; V244-F298 HydrophobicContact CG1-CE2 4.11Å; V244-F298 HydrophobicContact CG1-CG 3.6Å; V244-L300 HydrophobicContact CB-CD2 3.97Å; V244-L300 HydrophobicContact CG2-CD2 3.96Å
245	K	67	Low	61.2	Low	41 Å²	41	58.4 Å²	58.4	18%	0.178	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	131.2	167.6	175.8	171.2	177	179.4	0	109.8	W223 T224 G226 D227 G247 Y250	W223-K245 HydrophobicContact CB-CB 4.31Å; W223-K245 HydrophobicContact CB-CD 3.54Å; W223-K245 HydrophobicContact CE3-CB 3.79Å; W223-K245 WeakPolarHBondContact O-CD 3.15Å; W223-K245 WeakPolarHBondContact O-CE 3.35Å; W223-K245 PolarHBondContact O-NZ 2.84Å; T224-K245 WeakPolarHBondContact O-CB 3.25Å; T224-K245 WeakPolarHBondContact O-CD 3.29Å; T224-K245 WeakPolarHBondContact O-CG 3.47Å; G226-K245 PolarHBondContact N-O 3.32Å; D227-K245 PolarHBondContact O-N 3.26Å; K245-G247 WeakPolarHBondContact CE-O 3.45Å; K245-Y250 HydrophobicContact CB-CD1 4.03Å; K245-Y250 HydrophobicContact CB-CE1 3.9Å; K245-Y250 HydrophobicContact CD-CE1 4.14Å; K245-Y250 HydrophobicContact CG-CE1 4.23Å
246	W	64.2	Low	62.9	Low	52 Å²	52	57.4 Å²	57.4	20%	0.197	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	110.4	175.8	-160.1	-102.5	0	0	0	111.2	N225 D248 T249 G297 F298 M299	N225-W246 HydrophobicContact CB-CE3 4.14Å; N225-W246 HydrophobicContact CB-CZ3 4.26Å; W246-D248 PolarHBondContact O-N 3.39Å; W246-T249 PolarHBondContact N-O 2.85Å; W246-T249 PolarHBondContact O-N 2.86Å; W246-T249 VanDerWaalsContact O-N 3.07Å; W246-T249 PolarHBondContact O-OG1 2.86Å; W246-G297 PolarHBondContact NE1-O 3.39Å; W246-G297 VanDerWaalsContact NE1-O 3.12Å; W246-F298 HydrophobicContact CB-CB 4.03Å; W246-F298 HydrophobicContact CD2-CB 3.99Å; W246-F298 HydrophobicContact CE3-CB 4.18Å; W246-F298 HydrophobicContact CG-CB 3.92Å; W246-M299 HydrophobicContact CH2-CB 3.89Å; W246-M299 HydrophobicContact CH2-CE 3.66Å; W246-M299 HydrophobicContact CH2-CG 4.04Å; W246-M299 HydrophobicContact CZ2-CE 4.42Å; W246-M299 HydrophobicContact CZ3-CB 3.84Å; W246-M299 HydrophobicContact CZ3-CG 4.48Å; W246-M299 VanDerWaalsContact CZ3-N 3.33Å
247	G	62.1	Low	64.2	Low	8 Å²	8	57.2 Å²	57.2	8%	0.082	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.8	-130.7	-165.9	0	0	0	0	0	110	N225 K245 T249	N225-G247 VanDerWaalsContact CG-N 3.27Å; N225-G247 PolarHBondContact ND2-N 2.74Å; N225-G247 WeakPolarHBondContact OD1-CA 3.2Å; N225-G247 PolarHBondContact OD1-N 3.2Å; K245-G247 WeakPolarHBondContact CE-O 3.45Å; G247-T249 VanDerWaalsContact C-N 3.28Å
248	D	57.2	Low	65.6	Low	80 Å²	80	53.9 Å²	53.9	43%	0.428	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	11.6	177.5	-49.1	-64.7	0	0	0	112.3	W246 H457 N458	W246-D248 PolarHBondContact O-N 3.39Å; D248-H457 VanDerWaalsContact OD2-CA 3.3Å; D248-H457 WeakPolarHBondContact OD2-CA 3.32Å; D248-H457 WeakPolarHBondContact OD2-CB 3.12Å; D248-H457 IonicContact OD2-CD2 3.52Å; D248-H457 IonicContact OD2-CG 2.68Å; D248-N458 PolarHBondContact OD1-ND2 2.79Å; D248-N458 PolarHBondContact OD2-N 3.23Å
249	T	46.5	Very low	66.9	Low	69 Å²	69	61.1 Å²	61.1	42%	0.423	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	151.9	178.6	70.6	0	0	0	0	112.2	W246 G247	W246-T249 PolarHBondContact N-O 2.85Å; W246-T249 PolarHBondContact O-N 2.86Å; W246-T249 VanDerWaalsContact O-N 3.07Å; W246-T249 PolarHBondContact O-OG1 2.86Å; G247-T249 VanDerWaalsContact C-N 3.28Å
250	Y	62.7	Low	68	Low	135 Å²	135	65.2 Å²	65.2	53%	0.529	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	114.2	167.9	-65.5	-94.7	0	0	0	107.7	W223 V244 K245	W223-Y250 AromaticContact CD2-CE1 3.95Å; W223-Y250 HydrophobicContact CD2-CE1 3.95Å; W223-Y250 HydrophobicContact CE3-CD1 4.03Å; W223-Y250 AromaticContact CE3-CE1 3.58Å; W223-Y250 HydrophobicContact CE3-CE1 3.58Å; W223-Y250 HydrophobicContact CH2-CD1 4.47Å; W223-Y250 HydrophobicContact CH2-CE1 4.37Å; W223-Y250 AromaticContact CZ3-CD1 3.85Å; W223-Y250 HydrophobicContact CZ3-CD1 3.85Å; W223-Y250 AromaticContact CZ3-CE1 3.81Å; W223-Y250 HydrophobicContact CZ3-CE1 3.81Å; V244-Y250 CarbonylContact O-C 3.54Å; V244-Y250 WeakPolarHBondContact O-CA 3.27Å; K245-Y250 HydrophobicContact CB-CD1 4.03Å; K245-Y250 HydrophobicContact CB-CE1 3.9Å; K245-Y250 HydrophobicContact CD-CE1 4.14Å; K245-Y250 HydrophobicContact CG-CE1 4.23Å
251	T	59.1	Low	68.3	Low	44 Å²	44	66.6 Å²	66.6	27%	0.27	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	123.2	177.7	-58.5	0	0	0	0	109	V244 F298	V244-T251 WeakPolarHBondContact CG1-O 3.44Å; V244-T251 PolarHBondContact N-O 3.48Å; V244-T251 PolarHBondContact O-N 2.96Å; T251-F298 HydrophobicContact CG2-CD1 3.63Å; T251-F298 HydrophobicContact CG2-CE1 3.55Å
252	A	62	Low	68.8	Low	64 Å²	64	73.1 Å²	73.1	53%	0.529	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	121.6	174.9	0	0	0	0	0	109.4	T241 V242 L243	T241-A252 HydrophobicContact CG2-CB 4.01Å; V242-A252 WeakPolarHBondContact O-CA 3.22Å; L243-A252 HydrophobicContact CD2-CB 3.67Å
253	F	68.7	Low	69.2	Low	38 Å²	38	74 Å²	74	17%	0.167	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	148.8	168.7	68.4	-83.7	0	0	0	111	T241 V242 V244 L255 L288 F298 L300	T241-F253 CarbonylContact C-O 3.55Å; T241-F253 WeakPolarHBondContact CA-O 3.41Å; V242-F253 HydrophobicContact CB-CD1 4.05Å; V242-F253 HydrophobicContact CB-CD2 4.43Å; V242-F253 HydrophobicContact CB-CE1 3.56Å; V242-F253 HydrophobicContact CB-CE2 3.99Å; V242-F253 HydrophobicContact CB-CG 4.46Å; V242-F253 HydrophobicContact CB-CZ 3.54Å; V242-F253 HydrophobicContact CG1-CD1 4.4Å; V242-F253 HydrophobicContact CG1-CE1 3.56Å; V242-F253 HydrophobicContact CG1-CZ 3.66Å; V242-F253 HydrophobicContact CG2-CE1 4.46Å; V242-F253 HydrophobicContact CG2-CE2 4.09Å; V242-F253 HydrophobicContact CG2-CZ 3.94Å; V242-F253 PolarHBondContact N-O 2.71Å; V242-F253 PolarHBondContact O-N 2.73Å; V244-F253 HydrophobicContact CG1-CE1 4.36Å; F253-L255 HydrophobicContact CD2-CD2 4.13Å; F253-L255 HydrophobicContact CE2-CD2 3.63Å; F253-L288 HydrophobicContact CE2-CD1 3.97Å; F253-L288 HydrophobicContact CZ-CD1 4.06Å; F253-F298 HydrophobicContact CD1-CE1 4.25Å; F253-F298 AromaticContact CD1-CE2 3.71Å; F253-F298 HydrophobicContact CD1-CE2 3.71Å; F253-F298 AromaticContact CD1-CZ 3.39Å; F253-F298 HydrophobicContact CD1-CZ 3.39Å; F253-F298 HydrophobicContact CE1-CD2 4.33Å; F253-F298 AromaticContact CE1-CE2 3.37Å; F253-F298 HydrophobicContact CE1-CE2 3.37Å; F253-F298 AromaticContact CE1-CZ 3.6Å; F253-F298 HydrophobicContact CE1-CZ 3.6Å; F253-F298 HydrophobicContact CG-CZ 4.01Å; F253-F298 HydrophobicContact CZ-CE2 4.02Å; F253-F298 HydrophobicContact CZ-CZ 4.36Å; F253-L300 HydrophobicContact CE1-CD2 4.04Å; F253-L300 HydrophobicContact CZ-CD1 4.29Å; F253-L300 HydrophobicContact CZ-CD2 4.12Å
254	R	69	Low	69.8	Low	179 Å²	179	72.5 Å²	72.5	68%	0.675	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.9	132.9	-179.3	-71.2	179.9	172.1	179.2	-3	109.4
255	L	76.6	Confident	70.3	Confident	10 Å²	10	74.8 Å²	74.8	5%	0.052	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-75.8	126.3	167.8	-56.1	-174.8	0	0	0	108.3	L230 K240 V242 F253 W264 V281 V284	L230-L255 HydrophobicContact CD1-CD1 4.26Å; K240-L255 HydrophobicContact CB-CD1 4.39Å; K240-L255 PolarHBondContact O-N 3.31Å; V242-L255 HydrophobicContact CG2-CD1 3.96Å; V242-L255 HydrophobicContact CG2-CD2 3.79Å; V242-L255 HydrophobicContact CG2-CG 3.86Å; F253-L255 HydrophobicContact CD2-CD2 4.13Å; F253-L255 HydrophobicContact CE2-CD2 3.63Å; L255-W264 HydrophobicContact CB-CE3 3.66Å; L255-W264 HydrophobicContact CB-CZ3 3.71Å; L255-V281 HydrophobicContact CD1-CG1 3.56Å; L255-V284 HydrophobicContact CD1-CG1 4.44Å; L255-V284 HydrophobicContact CD2-CG1 3.95Å
256	E	77.3	Confident	70.9	Confident	125 Å²	125	73.7 Å²	73.7	58%	0.584	35%	0.345	S	S	*	.	P	Polyproline II helix	trans	-84.7	137	175.3	-65.9	-163.4	172.2	0	0	110.7	K265	E256-K265 HydrophobicContact CB-CB 4.29Å; E256-K265 HydrophobicContact CB-CD 3.97Å; E256-K265 HydrophobicContact CB-CG 4.23Å; E256-K265 PolarHBondContact O-N 2.77Å; E256-K265 IonicContact OE2-NZ 3.25Å
257	Q	80	Confident	71.1	Confident	48 Å²	48	75 Å²	75	22%	0.224	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	128.7	168.7	-159.5	-174.3	36.3	0	0	109.4	R259 R263 W264	Q257-R259 PolarHBondContact O-N 3.05Å; Q257-R259 VanDerWaalsContact O-N 3.08Å; Q257-R263 CarbonylContact C-O 3.51Å; Q257-R263 WeakPolarHBondContact CA-O 3.37Å; Q257-R263 WeakPolarHBondContact CG-O 3.36Å; Q257-W264 HydrophobicContact CB-CE3 4.18Å; Q257-W264 HydrophobicContact CB-CZ3 4.23Å; Q257-W264 HydrophobicContact CG-CD2 4.41Å
258	N	80.6	Confident	71.4	Confident	18 Å²	18	78.9 Å²	78.9	10%	0.096	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	104	158.9	-175.6	-53.7	0	0	0	107.5	D260 K261 K262 R263 K265 E275 T277	N258-D260 VanDerWaalsContact C-N 3.34Å; N258-D260 PolarHBondContact O-N 2.91Å; N258-D260 PolarHBondContact OD1-N 3.35Å; N258-K261 HydrophobicContact CB-CB 4.27Å; N258-K261 PolarHBondContact O-N 2.75Å; N258-K261 WeakPolarHBondContact OD1-CB 3.27Å; N258-K261 WeakPolarHBondContact OD1-CG 3.11Å; N258-K261 PolarHBondContact OD1-N 2.99Å; N258-K262 WeakPolarHBondContact O-CA 3.43Å; N258-K262 PolarHBondContact O-N 2.68Å; N258-R263 PolarHBondContact N-O 3.38Å; N258-R263 PolarHBondContact O-N 2.99Å; N258-K265 HydrophobicContact CB-CG 4.29Å; N258-E275 PolarHBondContact ND2-OE1 3.07Å; N258-T277 HydrophobicContact CB-CG2 4.46Å
259	R	76.9	Confident	71.4	Confident	190 Å²	190	78.7 Å²	78.7	72%	0.717	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-36.7	-174.2	-68.5	-177.5	174.2	-171.4	-4.4	112.7	Q257 K262	Q257-R259 PolarHBondContact O-N 3.05Å; Q257-R259 VanDerWaalsContact O-N 3.08Å; R259-K262 PolarHBondContact O-N 2.89Å
260	D	74.7	Confident	71.7	Confident	154 Å²	154	80.9 Å²	80.9	82%	0.824	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-40.3	-177.9	-51.4	-46.1	0	0	0	110.7	N258	N258-D260 VanDerWaalsContact C-N 3.34Å; N258-D260 PolarHBondContact O-N 2.91Å; N258-D260 PolarHBondContact OD1-N 3.35Å
261	K	71.9	Confident	71.8	Confident	64 Å²	64	83 Å²	83	28%	0.278	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-18.3	179.7	-62.1	173.4	-176.2	-167.1	0	113.1	N258 R263 E368 D369 G370	N258-K261 HydrophobicContact CB-CB 4.27Å; N258-K261 PolarHBondContact O-N 2.75Å; N258-K261 WeakPolarHBondContact OD1-CB 3.27Å; N258-K261 WeakPolarHBondContact OD1-CG 3.11Å; N258-K261 PolarHBondContact OD1-N 2.99Å; K261-R263 VanDerWaalsContact C-N 3.32Å; K261-R263 HydrophobicContact CB-CB 4.35Å; K261-R263 HydrophobicContact CB-CG 4.13Å; K261-R263 WeakPolarHBondContact O-CG 3.48Å; K261-E368 PolarHBondContact NZ-O 2.81Å; K261-D369 WeakPolarHBondContact CD-O 3.42Å; K261-D369 VanDerWaalsContact CE-C 3.45Å; K261-D369 WeakPolarHBondContact CE-O 3.38Å; K261-D369 PolarHBondContact NZ-O 2.7Å; K261-G370 VanDerWaalsContact NZ-N 3.13Å
262	K	77.5	Confident	72	Confident	166 Å²	166	83.7 Å²	83.7	72%	0.722	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.8	36.3	-169.9	-54.9	-178.8	179.4	179.6	0	113.5	N258 R259	N258-K262 WeakPolarHBondContact O-CA 3.43Å; N258-K262 PolarHBondContact O-N 2.68Å; R259-K262 PolarHBondContact O-N 2.89Å
263	R	80.4	Confident	72.1	Confident	18 Å²	18	83.2 Å²	83.2	7%	0.068	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	150.9	-174.3	-59.4	-175.1	79	-175.1	12	111.4	Q257 N258 K261 T277 V278 S384	Q257-R263 CarbonylContact C-O 3.51Å; Q257-R263 WeakPolarHBondContact CA-O 3.37Å; Q257-R263 WeakPolarHBondContact CG-O 3.36Å; N258-R263 PolarHBondContact N-O 3.38Å; N258-R263 PolarHBondContact O-N 2.99Å; K261-R263 VanDerWaalsContact C-N 3.32Å; K261-R263 HydrophobicContact CB-CB 4.35Å; K261-R263 HydrophobicContact CB-CG 4.13Å; K261-R263 WeakPolarHBondContact O-CG 3.48Å; R263-T277 PolarHBondContact NH1-OG1 3.24Å; R263-T277 PolarHBondContact NH2-O 3.4Å; R263-V278 WeakPolarHBondContact CB-O 3.39Å; R263-S384 PolarHBondContact NH2-OG 2.81Å
264	W	79.9	Confident	72.3	Confident	19 Å²	19	82.1 Å²	82.1	7%	0.072	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	135.5	179.6	-61.8	91.2	0	0	0	110	K240 L255 Q257 T277 V278 V281 V284	K240-W264 HydrophobicContact CB-CH2 4.12Å; K240-W264 HydrophobicContact CB-CZ3 4.4Å; K240-W264 HydrophobicContact CG-CH2 3.76Å; K240-W264 HydrophobicContact CG-CZ2 4.24Å; L255-W264 HydrophobicContact CB-CE3 3.66Å; L255-W264 HydrophobicContact CB-CZ3 3.71Å; Q257-W264 HydrophobicContact CB-CE3 4.18Å; Q257-W264 HydrophobicContact CB-CZ3 4.23Å; Q257-W264 HydrophobicContact CG-CD2 4.41Å; W264-T277 CarbonylContact O-C 3.57Å; W264-T277 WeakPolarHBondContact O-CA 3.45Å; W264-T277 WeakPolarHBondContact O-CB 3.28Å; W264-V278 HydrophobicContact CB-CG2 4.13Å; W264-V278 PolarHBondContact N-O 3.3Å; W264-V278 PolarHBondContact O-N 3.1Å; W264-V281 HydrophobicContact CD2-CG2 3.87Å; W264-V281 HydrophobicContact CE3-CG2 4.43Å; W264-V281 HydrophobicContact CG-CG2 4.38Å; W264-V281 HydrophobicContact CH2-CG2 4.13Å; W264-V281 HydrophobicContact CZ2-CG2 3.51Å; W264-V284 HydrophobicContact CB-CG2 3.31Å; W264-V284 HydrophobicContact CG-CG2 4.01Å
265	K	83	Confident	72.9	Confident	48 Å²	48	75.7 Å²	75.7	21%	0.209	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	141	177	-56	-171.6	-178.4	-161.6	0	110	E256 N258 E275 T277	E256-K265 HydrophobicContact CB-CB 4.29Å; E256-K265 HydrophobicContact CB-CD 3.97Å; E256-K265 HydrophobicContact CB-CG 4.23Å; E256-K265 PolarHBondContact O-N 2.77Å; E256-K265 IonicContact OE2-NZ 3.25Å; N258-K265 HydrophobicContact CB-CG 4.29Å; K265-E275 HydrophobicContact CD-CG 4.37Å; K265-E275 WeakPolarHBondContact CD-OE2 3.46Å; K265-E275 VanDerWaalsContact CE-CD 3.44Å; K265-E275 WeakPolarHBondContact CE-OE1 3.48Å; K265-E275 VanDerWaalsContact CE-OE2 3.25Å; K265-E275 WeakPolarHBondContact CE-OE2 3.2Å; K265-E275 HydrophobicContact CG-CG 4.44Å; K265-E275 IonicContact NZ-OE1 2.68Å; K265-E275 PolarHBondContact NZ-OE1 3.25Å; K265-E275 IonicContact NZ-OE2 3.46Å; K265-E275 PolarHBondContact NZ-OE2 2.98Å; K265-T277 HydrophobicContact CG-CG2 4.47Å
266	L	78.8	Confident	73.2	Confident	18 Å²	18	77.5 Å²	77.5	9%	0.094	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-79.3	145.7	161.2	-62.7	-174.9	0	0	0	109.5	E276 V278 V284 T385	L266-E276 HydrophobicContact CB-CB 4.27Å; L266-E276 HydrophobicContact CD1-CB 4.14Å; L266-E276 HydrophobicContact CG-CB 4.43Å; L266-E276 PolarHBondContact N-O 3.41Å; L266-V278 HydrophobicContact CD1-CG1 4.27Å; L266-V278 HydrophobicContact CD2-CG1 4.08Å; L266-V278 HydrophobicContact CD2-CG2 4.13Å; L266-V278 HydrophobicContact CG-CG1 4.2Å; L266-V284 HydrophobicContact CD2-CB 4.5Å; L266-V284 HydrophobicContact CD2-CG1 4.21Å; L266-T385 HydrophobicContact CD1-CG2 3.63Å
267	P	68.7	Low	73.5	Confident	79 Å²	79	71.6 Å²	71.6	51%	0.513	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-61.5	153.9	172.2	-27	39.8	0	0	0	112.1	L288	P267-L288 HydrophobicContact CG-CD2 3.84Å
268	R	67.8	Low	73.6	Confident	90 Å²	90	69.4 Å²	69.4	34%	0.34	34%	0.336	S	S	.	.			trans	-127	146.5	177.4	-87.3	176.2	-88.2	170.7	3.5	110	E273 P274 E275	R268-E273 VanDerWaalsContact CA-OE2 3.25Å; R268-E273 WeakPolarHBondContact CA-OE2 3.44Å; R268-E273 HydrophobicContact CB-CB 4.26Å; R268-E273 WeakPolarHBondContact CB-OE2 3.17Å; R268-E273 VanDerWaalsContact CD-CB 3.5Å; R268-E273 WeakPolarHBondContact CD-O 3.39Å; R268-E273 HydrophobicContact CG-CB 3.73Å; R268-E273 WeakPolarHBondContact CG-OE2 3.42Å; R268-E273 PolarHBondContact NH1-O 3.41Å; R268-P274 VanDerWaalsContact CD-O 3.28Å; R268-P274 WeakPolarHBondContact CD-O 3.33Å; R268-E275 VanDerWaalsContact CZ-CA 3.46Å; R268-E275 IonicContact CZ-OE2 3.7Å; R268-E275 VanDerWaalsContact NH2-CB 3.31Å; R268-E275 VanDerWaalsContact NH2-CG 3.28Å; R268-E275 IonicContact NH2-OE2 3.17Å; R268-E275 PolarHBondContact NH2-OE2 2.85Å
269	S	56.7	Low	73.3	Confident	77 Å²	77	72.3 Å²	72.3	54%	0.538	36%	0.355	S	S	.	.	S	Bend	trans	-79.9	-30.1	175.5	92.9	0	0	0	0	111.5	E273	S269-E273 WeakPolarHBondContact CB-OE1 3.38Å; S269-E273 PolarHBondContact N-OE2 2.89Å; S269-E273 PolarHBondContact OG-OE1 3.2Å
270	Q	54.3	Low	73.1	Confident	115 Å²	115	66.1 Å²	66.1	54%	0.537	34%	0.338	S	S	.	.	S	Bend	trans	-136.4	154.7	-178	-62.6	179.1	41.3	0	0	112.4	D272 E273	Q270-D272 VanDerWaalsContact C-N 3.3Å; Q270-D272 WeakPolarHBondContact CB-OD1 3.5Å; Q270-D272 PolarHBondContact O-N 2.72Å; Q270-E273 HydrophobicContact CB-CG 4.26Å; Q270-E273 PolarHBondContact N-OE2 3.08Å; Q270-E273 PolarHBondContact O-N 3.49Å
271	L	63.6	Low	73.1	Confident	180 Å²	180	59.8 Å²	59.8	94%	0.942	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-17.6	-176.7	-97.2	135.3	0	0	0	114.1
272	D	63.9	Low	73.1	Confident	58 Å²	58	60.6 Å²	60.6	31%	0.31	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-1.4	176.4	60.1	-30.5	0	0	0	114	Q270 K343	Q270-D272 VanDerWaalsContact C-N 3.3Å; Q270-D272 WeakPolarHBondContact CB-OD1 3.5Å; Q270-D272 PolarHBondContact O-N 2.72Å; D272-K343 IonicContact OD2-NZ 3.68Å; D272-K343 PolarHBondContact OD2-NZ 2.81Å
273	E	64.5	Low	72.9	Confident	53 Å²	53	55.4 Å²	55.4	25%	0.248	29%	0.29	C	S	.	.	S	Bend	trans	-70.1	143.4	166.4	-69.2	167.8	-178.6	0	0	110.8	R268 S269 Q270	R268-E273 VanDerWaalsContact CA-OE2 3.25Å; R268-E273 WeakPolarHBondContact CA-OE2 3.44Å; R268-E273 HydrophobicContact CB-CB 4.26Å; R268-E273 WeakPolarHBondContact CB-OE2 3.17Å; R268-E273 VanDerWaalsContact CD-CB 3.5Å; R268-E273 WeakPolarHBondContact CD-O 3.39Å; R268-E273 HydrophobicContact CG-CB 3.73Å; R268-E273 WeakPolarHBondContact CG-OE2 3.42Å; R268-E273 PolarHBondContact NH1-O 3.41Å; S269-E273 WeakPolarHBondContact CB-OE1 3.38Å; S269-E273 PolarHBondContact N-OE2 2.89Å; S269-E273 PolarHBondContact OG-OE1 3.2Å; Q270-E273 HydrophobicContact CB-CG 4.26Å; Q270-E273 PolarHBondContact N-OE2 3.08Å; Q270-E273 PolarHBondContact O-N 3.49Å
274	P	71.8	Confident	72.8	Confident	16 Å²	16	54.5 Å²	54.5	10%	0.104	29%	0.287	C	S	.	.			trans	-71.9	152.3	-176.6	31.6	-37.5	0	0	0	112.9	R268 E276 V345 W366 F372 I386	R268-P274 VanDerWaalsContact CD-O 3.28Å; R268-P274 WeakPolarHBondContact CD-O 3.33Å; P274-E276 PolarHBondContact O-N 3.28Å; P274-V345 HydrophobicContact CG-CG2 3.68Å; P274-W366 HydrophobicContact CB-CE3 4.38Å; P274-W366 HydrophobicContact CB-CZ3 4.4Å; P274-F372 HydrophobicContact CB-CE1 3.81Å; P274-F372 HydrophobicContact CB-CZ 3.95Å; P274-F372 HydrophobicContact CG-CE1 3.89Å; P274-F372 HydrophobicContact CG-CZ 4.12Å; P274-I386 HydrophobicContact CG-CD1 4.14Å
275	E	81.5	Confident	72.6	Confident	44 Å²	44	54.3 Å²	54.3	21%	0.206	29%	0.287	C	S	.	.			trans	-76.6	93.8	-178.5	-173.8	157.3	119.8	0	0	112.9	N258 K265 R268 T277	N258-E275 PolarHBondContact ND2-OE1 3.07Å; K265-E275 HydrophobicContact CD-CG 4.37Å; K265-E275 WeakPolarHBondContact CD-OE2 3.46Å; K265-E275 VanDerWaalsContact CE-CD 3.44Å; K265-E275 WeakPolarHBondContact CE-OE1 3.48Å; K265-E275 VanDerWaalsContact CE-OE2 3.25Å; K265-E275 WeakPolarHBondContact CE-OE2 3.2Å; K265-E275 HydrophobicContact CG-CG 4.44Å; K265-E275 IonicContact NZ-OE1 2.68Å; K265-E275 PolarHBondContact NZ-OE1 3.25Å; K265-E275 IonicContact NZ-OE2 3.46Å; K265-E275 PolarHBondContact NZ-OE2 2.98Å; R268-E275 VanDerWaalsContact CZ-CA 3.46Å; R268-E275 IonicContact CZ-OE2 3.7Å; R268-E275 VanDerWaalsContact NH2-CB 3.31Å; R268-E275 VanDerWaalsContact NH2-CG 3.28Å; R268-E275 IonicContact NH2-OE2 3.17Å; R268-E275 PolarHBondContact NH2-OE2 2.85Å; E275-T277 HydrophobicContact CG-CG2 3.91Å
276	E	82.7	Confident	72.1	Confident	48 Å²	48	57 Å²	57	22%	0.224	30%	0.299	C	S	.	.			trans	-74.8	136.6	168.7	-60.9	-169.9	-105.7	0	0	111.2	L266 P274 F372 T385 I386	L266-E276 HydrophobicContact CB-CB 4.27Å; L266-E276 HydrophobicContact CD1-CB 4.14Å; L266-E276 HydrophobicContact CG-CB 4.43Å; L266-E276 PolarHBondContact N-O 3.41Å; P274-E276 PolarHBondContact O-N 3.28Å; E276-F372 HydrophobicContact CB-CE2 4.43Å; E276-F372 HydrophobicContact CG-CE2 3.8Å; E276-F372 HydrophobicContact CG-CZ 3.71Å; E276-T385 HydrophobicContact CB-CG2 4.41Å; E276-T385 WeakPolarHBondContact OE2-CA 3.36Å; E276-T385 WeakPolarHBondContact OE2-CB 3.33Å; E276-I386 PolarHBondContact OE2-N 2.8Å
277	T	85.6	Confident	71.7	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	144.5	-177.1	64	0	0	0	0	112.6	N258 R263 W264 K265 E275 S384	N258-T277 HydrophobicContact CB-CG2 4.46Å; R263-T277 PolarHBondContact NH1-OG1 3.24Å; R263-T277 PolarHBondContact NH2-O 3.4Å; W264-T277 CarbonylContact O-C 3.57Å; W264-T277 WeakPolarHBondContact O-CA 3.45Å; W264-T277 WeakPolarHBondContact O-CB 3.28Å; K265-T277 HydrophobicContact CG-CG2 4.47Å; E275-T277 HydrophobicContact CG-CG2 3.91Å; T277-S384 PolarHBondContact N-O 2.81Å; T277-S384 WeakPolarHBondContact O-CB 3.45Å; T277-S384 PolarHBondContact O-OG 3.21Å
278	V	80.6	Confident	71.8	Confident	3 Å²	3	54.5 Å²	54.5	2%	0.018	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	160.6	-179.6	-63.2	0	0	0	0	111.5	R263 W264 L266 Q283 V284 T385	R263-V278 WeakPolarHBondContact CB-O 3.39Å; W264-V278 HydrophobicContact CB-CG2 4.13Å; W264-V278 PolarHBondContact N-O 3.3Å; W264-V278 PolarHBondContact O-N 3.1Å; L266-V278 HydrophobicContact CD1-CG1 4.27Å; L266-V278 HydrophobicContact CD2-CG1 4.08Å; L266-V278 HydrophobicContact CD2-CG2 4.13Å; L266-V278 HydrophobicContact CG-CG1 4.2Å; V278-Q283 HydrophobicContact CB-CB 3.65Å; V278-Q283 HydrophobicContact CG1-CB 4.13Å; V278-Q283 HydrophobicContact CG2-CB 3.81Å; V278-V284 HydrophobicContact CG2-CB 4.23Å; V278-V284 HydrophobicContact CG2-CG2 3.32Å; V278-T385 HydrophobicContact CG1-CG2 3.85Å
279	T	74.8	Confident	71.7	Confident	79 Å²	79	51.7 Å²	51.7	49%	0.485	28%	0.275	S	S	.	.	S	Bend	trans	-81.1	-32.9	-171.4	67.1	0	0	0	0	113.5	Q283	T279-Q283 PolarHBondContact OG1-OE1 2.78Å
280	T	73.3	Confident	72	Confident	59 Å²	59	55.5 Å²	55.5	36%	0.362	28%	0.278	S	S	.	.	S	Bend	trans	-123.8	157.8	-177	68.2	0	0	0	0	111.9	D282 Q283 V284	T280-D282 VanDerWaalsContact C-N 3.25Å; T280-D282 PolarHBondContact O-N 3.47Å; T280-Q283 PolarHBondContact O-N 2.79Å; T280-Q283 WeakPolarHBondContact OG1-CG 3.17Å; T280-Q283 PolarHBondContact OG1-N 2.78Å; T280-Q283 VanDerWaalsContact OG1-N 3.11Å; T280-V284 PolarHBondContact O-N 3.04Å
281	V	74.2	Confident	72.3	Confident	22 Å²	22	55.1 Å²	55.1	13%	0.133	28%	0.278	C	S	.	.	H	α-helix	trans	-62.2	-36.3	171.3	175.3	0	0	0	0	111.4	L230 K240 L255 W264 Q283 V284 L285	L230-V281 HydrophobicContact CD1-CG1 3.77Å; L230-V281 HydrophobicContact CD2-CG1 3.61Å; L230-V281 HydrophobicContact CG-CG1 4.35Å; K240-V281 HydrophobicContact CG-CG2 4.17Å; L255-V281 HydrophobicContact CD1-CG1 3.56Å; W264-V281 HydrophobicContact CD2-CG2 3.87Å; W264-V281 HydrophobicContact CE3-CG2 4.43Å; W264-V281 HydrophobicContact CG-CG2 4.38Å; W264-V281 HydrophobicContact CH2-CG2 4.13Å; W264-V281 HydrophobicContact CZ2-CG2 3.51Å; V281-Q283 VanDerWaalsContact C-N 3.32Å; V281-Q283 PolarHBondContact O-N 2.9Å; V281-V284 WeakPolarHBondContact O-CB 3.44Å; V281-V284 PolarHBondContact O-N 2.81Å; V281-V284 VanDerWaalsContact O-N 3.08Å; V281-L285 HydrophobicContact CG1-CD1 3.88Å; V281-L285 HydrophobicContact CG1-CG 4.26Å; V281-L285 WeakPolarHBondContact O-CG 3.24Å; V281-L285 PolarHBondContact O-N 3.03Å
282	D	72.2	Confident	71.9	Confident	81 Å²	81	51.5 Å²	51.5	43%	0.433	26%	0.255	S	S	.	.	H	α-helix	trans	-56	-43.9	174.1	166.6	75.2	0	0	0	112.1	T280 V284 L285 K286	T280-D282 VanDerWaalsContact C-N 3.25Å; T280-D282 PolarHBondContact O-N 3.47Å; D282-V284 PolarHBondContact O-N 2.83Å; D282-L285 PolarHBondContact O-N 2.61Å; D282-K286 WeakPolarHBondContact O-CB 3.43Å; D282-K286 WeakPolarHBondContact O-CG 3.4Å; D282-K286 PolarHBondContact O-N 2.81Å; D282-K286 WeakPolarHBondContact OD1-CE 3.2Å; D282-K286 IonicContact OD1-NZ 3.42Å; D282-K286 PolarHBondContact OD1-NZ 2.83Å; D282-K286 IonicContact OD2-NZ 2.77Å; D282-K286 PolarHBondContact OD2-NZ 3.23Å
283	Q	72.6	Confident	71.2	Confident	56 Å²	56	52.3 Å²	52.3	26%	0.262	26%	0.259	S	S	.	.	H	α-helix	trans	-62.4	-39.5	173.9	-74.3	177.9	-45	0	0	112.2	V278 T279 T280 V281 L285 K286 S287	V278-Q283 HydrophobicContact CB-CB 3.65Å; V278-Q283 HydrophobicContact CG1-CB 4.13Å; V278-Q283 HydrophobicContact CG2-CB 3.81Å; T279-Q283 PolarHBondContact OG1-OE1 2.78Å; T280-Q283 PolarHBondContact O-N 2.79Å; T280-Q283 WeakPolarHBondContact OG1-CG 3.17Å; T280-Q283 PolarHBondContact OG1-N 2.78Å; T280-Q283 VanDerWaalsContact OG1-N 3.11Å; V281-Q283 VanDerWaalsContact C-N 3.32Å; V281-Q283 PolarHBondContact O-N 2.9Å; Q283-L285 PolarHBondContact O-N 2.77Å; Q283-K286 PolarHBondContact O-N 3.42Å; Q283-S287 PolarHBondContact O-N 3.19Å; Q283-S287 PolarHBondContact O-OG 2.87Å; Q283-S287 VanDerWaalsContact O-OG 3.07Å
284	V	77.5	Confident	70.5	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-61	-47.5	176.1	-172.5	0	0	0	0	110.6	L255 W264 L266 V278 T280 V281 D282 S287 L288	L255-V284 HydrophobicContact CD1-CG1 4.44Å; L255-V284 HydrophobicContact CD2-CG1 3.95Å; W264-V284 HydrophobicContact CB-CG2 3.31Å; W264-V284 HydrophobicContact CG-CG2 4.01Å; L266-V284 HydrophobicContact CD2-CB 4.5Å; L266-V284 HydrophobicContact CD2-CG1 4.21Å; V278-V284 HydrophobicContact CG2-CB 4.23Å; V278-V284 HydrophobicContact CG2-CG2 3.32Å; T280-V284 PolarHBondContact O-N 3.04Å; V281-V284 WeakPolarHBondContact O-CB 3.44Å; V281-V284 PolarHBondContact O-N 2.81Å; V281-V284 VanDerWaalsContact O-N 3.08Å; D282-V284 PolarHBondContact O-N 2.83Å; V284-S287 PolarHBondContact O-N 2.83Å; V284-L288 HydrophobicContact CG1-CD1 3.91Å; V284-L288 HydrophobicContact CG1-CG 4.49Å; V284-L288 WeakPolarHBondContact O-CB 3.29Å; V284-L288 VanDerWaalsContact O-CG 3.31Å; V284-L288 WeakPolarHBondContact O-CG 3.35Å; V284-L288 PolarHBondContact O-N 3.01Å
285	L	76.6	Confident	68.9	Low	15 Å²	15	55.4 Å²	55.4	8%	0.079	29%	0.29	C	S	.	.	H	α-helix	trans	-64.2	-42.4	-178.7	-66	167.7	0	0	0	110.9	Y228 L230 V242 V281 D282 Q283 L288 T289 L300	Y228-L285 HydrophobicContact CD2-CD2 4Å; Y228-L285 HydrophobicContact CE2-CB 4.32Å; Y228-L285 HydrophobicContact CE2-CD1 4.03Å; Y228-L285 HydrophobicContact CE2-CD2 3.81Å; Y228-L285 HydrophobicContact CE2-CG 4.27Å; L230-L285 HydrophobicContact CD1-CD1 4.46Å; V242-L285 HydrophobicContact CG1-CD2 4.32Å; V242-L285 HydrophobicContact CG2-CD2 3.75Å; V281-L285 HydrophobicContact CG1-CD1 3.88Å; V281-L285 HydrophobicContact CG1-CG 4.26Å; V281-L285 WeakPolarHBondContact O-CG 3.24Å; V281-L285 PolarHBondContact O-N 3.03Å; D282-L285 PolarHBondContact O-N 2.61Å; Q283-L285 PolarHBondContact O-N 2.77Å; L285-L288 PolarHBondContact O-N 3.26Å; L285-T289 WeakPolarHBondContact O-CG2 3.22Å; L285-T289 PolarHBondContact O-N 2.86Å; L285-T289 PolarHBondContact O-OG1 3.02Å; L285-L300 HydrophobicContact CD2-CD1 3.75Å
286	K	72.1	Confident	67.2	Low	104 Å²	104	57.5 Å²	57.5	45%	0.452	31%	0.309	S	S	.	.	H	α-helix	trans	-63.3	-40.9	174.5	-78.6	167.6	171.4	153.5	0	113.2	D282 Q283 L288 T289 R290	D282-K286 WeakPolarHBondContact O-CB 3.43Å; D282-K286 WeakPolarHBondContact O-CG 3.4Å; D282-K286 PolarHBondContact O-N 2.81Å; D282-K286 WeakPolarHBondContact OD1-CE 3.2Å; D282-K286 IonicContact OD1-NZ 3.42Å; D282-K286 PolarHBondContact OD1-NZ 2.83Å; D282-K286 IonicContact OD2-NZ 2.77Å; D282-K286 PolarHBondContact OD2-NZ 3.23Å; Q283-K286 PolarHBondContact O-N 3.42Å; K286-L288 VanDerWaalsContact C-N 3.35Å; K286-T289 WeakPolarHBondContact CA-OG1 3.18Å; K286-T289 PolarHBondContact O-OG1 3.01Å; K286-T289 VanDerWaalsContact O-OG1 3.12Å; K286-R290 WeakPolarHBondContact O-CB 3.42Å; K286-R290 VanDerWaalsContact O-CG 3.23Å; K286-R290 WeakPolarHBondContact O-CG 3.5Å; K286-R290 PolarHBondContact O-N 2.97Å
287	S	70.9	Confident	65.7	Low	14 Å²	14	57.4 Å²	57.4	10%	0.098	32%	0.321	C	S	.	.	H	α-helix	trans	-61.5	-46.1	172.6	-62	0	0	0	0	110.4	Q283 V284 T289 R290 I291	Q283-S287 PolarHBondContact O-N 3.19Å; Q283-S287 PolarHBondContact O-OG 2.87Å; Q283-S287 VanDerWaalsContact O-OG 3.07Å; V284-S287 PolarHBondContact O-N 2.83Å; S287-T289 PolarHBondContact O-N 3.25Å; S287-R290 PolarHBondContact O-N 3.01Å; S287-I291 WeakPolarHBondContact O-CD1 3.35Å; S287-I291 WeakPolarHBondContact O-CG1 3.16Å; S287-I291 PolarHBondContact O-N 2.87Å
288	L	70.8	Confident	64.4	Low	31 Å²	31	58.5 Å²	58.5	16%	0.162	33%	0.326	C	S	.	.	H	α-helix	trans	-66.2	-37.8	-179.7	-71.1	170.9	0	0	0	114	F253 P267 V284 L285 K286 L300	F253-L288 HydrophobicContact CE2-CD1 3.97Å; F253-L288 HydrophobicContact CZ-CD1 4.06Å; P267-L288 HydrophobicContact CG-CD2 3.84Å; V284-L288 HydrophobicContact CG1-CD1 3.91Å; V284-L288 HydrophobicContact CG1-CG 4.49Å; V284-L288 WeakPolarHBondContact O-CB 3.29Å; V284-L288 VanDerWaalsContact O-CG 3.31Å; V284-L288 WeakPolarHBondContact O-CG 3.35Å; V284-L288 PolarHBondContact O-N 3.01Å; L285-L288 PolarHBondContact O-N 3.26Å; K286-L288 VanDerWaalsContact C-N 3.35Å; L288-L300 HydrophobicContact CB-CD1 3.61Å; L288-L300 HydrophobicContact CB-CG 4.11Å; L288-L300 HydrophobicContact CD1-CD1 3.97Å; L288-L300 HydrophobicContact CG-CD1 4.44Å
289	T	65.8	Low	63.7	Low	30 Å²	30	60.7 Å²	60.7	18%	0.184	34%	0.336	C	S	.	.	H	α-helix	trans	-71.6	-30.1	174.3	56.7	0	0	0	0	112.6	Y228 L285 K286 S287 K292 L300	Y228-T289 HydrophobicContact CE1-CG2 3.69Å; L285-T289 WeakPolarHBondContact O-CG2 3.22Å; L285-T289 PolarHBondContact O-N 2.86Å; L285-T289 PolarHBondContact O-OG1 3.02Å; K286-T289 WeakPolarHBondContact CA-OG1 3.18Å; K286-T289 PolarHBondContact O-OG1 3.01Å; K286-T289 VanDerWaalsContact O-OG1 3.12Å; S287-T289 PolarHBondContact O-N 3.25Å; T289-K292 VanDerWaalsContact O-CG 3.22Å; T289-K292 WeakPolarHBondContact O-CG 3.22Å; T289-L300 HydrophobicContact CG2-CB 3.56Å
290	R	63	Low	63.3	Low	158 Å²	158	57.1 Å²	57.1	60%	0.596	31%	0.314	S	S	*	.	H	α-helix	trans	-69.7	-47.4	174	-80.5	176.7	176.8	-160.4	0.5	112.9	K286 S287 K292 E387	K286-R290 WeakPolarHBondContact O-CB 3.42Å; K286-R290 VanDerWaalsContact O-CG 3.23Å; K286-R290 WeakPolarHBondContact O-CG 3.5Å; K286-R290 PolarHBondContact O-N 2.97Å; S287-R290 PolarHBondContact O-N 3.01Å; R290-K292 PolarHBondContact O-N 3.45Å; R290-E387 IonicContact CZ-OE1 3.82Å; R290-E387 IonicContact NH1-OE1 2.72Å; R290-E387 PolarHBondContact NH1-OE1 2.9Å
291	I	60.7	Low	62.8	Low	106 Å²	106	56.3 Å²	56.3	54%	0.544	31%	0.307	S	S	.	.	H	α-helix	trans	-61.8	-33.9	-175	-66.2	160.7	0	0	0	110.7	S287 D293	S287-I291 WeakPolarHBondContact O-CD1 3.35Å; S287-I291 WeakPolarHBondContact O-CG1 3.16Å; S287-I291 PolarHBondContact O-N 2.87Å; I291-D293 HydrophobicContact CG2-CB 3.55Å; I291-D293 PolarHBondContact O-N 2.73Å; I291-D293 VanDerWaalsContact O-N 3.07Å
292	K	55.2	Low	62.5	Low	105 Å²	105	58.5 Å²	58.5	46%	0.457	32%	0.316	S	S	.	.			trans	50.1	30.3	-177.6	-61.3	-164.5	179.1	-152.1	0	113.6	T289 R290 A294 M299	T289-K292 VanDerWaalsContact O-CG 3.22Å; T289-K292 WeakPolarHBondContact O-CG 3.22Å; R290-K292 PolarHBondContact O-N 3.45Å; K292-A294 PolarHBondContact O-N 2.91Å; K292-M299 HydrophobicContact CB-SD 4.14Å
293	D	48.8	Very low	62.2	Low	74 Å²	74	56.1 Å²	56.1	40%	0.396	31%	0.305	S	S	.	.			trans	-79.8	123.2	178.6	179.5	20.7	0	0	0	109.9	I291 S295	I291-D293 HydrophobicContact CG2-CB 3.55Å; I291-D293 PolarHBondContact O-N 2.73Å; I291-D293 VanDerWaalsContact O-N 3.07Å; D293-S295 WeakPolarHBondContact OD1-CB 3.39Å; D293-S295 PolarHBondContact OD1-N 3.39Å; D293-S295 PolarHBondContact OD1-OG 2.98Å; D293-S295 VanDerWaalsContact OD2-CB 3.28Å; D293-S295 WeakPolarHBondContact OD2-CB 3.41Å; D293-S295 PolarHBondContact OD2-OG 3.18Å
294	A	49.3	Very low	61.7	Low	51 Å²	51	54.7 Å²	54.7	42%	0.421	30%	0.3	S	S	.	.			trans	-95.1	7.6	177	0	0	0	0	0	112.8	K292 C296 G297 M299	K292-A294 PolarHBondContact O-N 2.91Å; A294-C296 PolarHBondContact O-N 3.24Å; A294-G297 WeakPolarHBondContact O-CA 3.36Å; A294-G297 PolarHBondContact O-N 3.15Å; A294-M299 HydrophobicContact CB-CG 3.86Å; A294-M299 HydrophobicContact CB-SD 4.33Å
295	S	38.7	Very low	60.6	Low	84 Å²	84	57.4 Å²	57.4	59%	0.587	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-34.9	179.1	66.6	0	0	0	0	113.3	D293 G297	D293-S295 WeakPolarHBondContact OD1-CB 3.39Å; D293-S295 PolarHBondContact OD1-N 3.39Å; D293-S295 PolarHBondContact OD1-OG 2.98Å; D293-S295 VanDerWaalsContact OD2-CB 3.28Å; D293-S295 WeakPolarHBondContact OD2-CB 3.41Å; D293-S295 PolarHBondContact OD2-OG 3.18Å; S295-G297 PolarHBondContact O-N 3.46Å
296	C	46	Very low	59.1	Low	87 Å²	87	61.1 Å²	61.1	59%	0.588	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	2.6	175.2	-68.9	0	0	0	0	114.3	A294 F298	A294-C296 PolarHBondContact O-N 3.24Å; C296-F298 VanDerWaalsContact C-N 3.33Å; C296-F298 HydrophobicContact CB-CD1 4.15Å; C296-F298 HydrophobicContact CB-CE1 3.66Å; C296-F298 HydrophobicContact CB-CE2 4.34Å; C296-F298 HydrophobicContact CB-CZ 3.77Å; C296-F298 VanDerWaalsContact O-CD1 3.24Å; C296-F298 WeakPolarHBondContact O-CD1 3.36Å; C296-F298 WeakPolarHBondContact O-CE1 3.32Å
297	G	50.3	Low	57.2	Low	47 Å²	47	63.6 Å²	63.6	49%	0.485	36%	0.356	S	S	.	.	S	Bend	trans	81.3	6.7	-179.4	0	0	0	0	0	115.1	W246 A294 S295	W246-G297 PolarHBondContact NE1-O 3.39Å; W246-G297 VanDerWaalsContact NE1-O 3.12Å; A294-G297 WeakPolarHBondContact O-CA 3.36Å; A294-G297 PolarHBondContact O-N 3.15Å; S295-G297 PolarHBondContact O-N 3.46Å
298	F	59.4	Low	55.6	Low	23 Å²	23	68.1 Å²	68.1	10%	0.101	39%	0.387	C	S	.	.			trans	-149.4	159.3	175.4	57.8	-96.5	0	0	0	110.1	V244 W246 T251 F253 C296 L300	V244-F298 HydrophobicContact CG1-CB 3.9Å; V244-F298 HydrophobicContact CG1-CD1 4.16Å; V244-F298 HydrophobicContact CG1-CD2 3.58Å; V244-F298 HydrophobicContact CG1-CE2 4.11Å; V244-F298 HydrophobicContact CG1-CG 3.6Å; W246-F298 HydrophobicContact CB-CB 4.03Å; W246-F298 HydrophobicContact CD2-CB 3.99Å; W246-F298 HydrophobicContact CE3-CB 4.18Å; W246-F298 HydrophobicContact CG-CB 3.92Å; T251-F298 HydrophobicContact CG2-CD1 3.63Å; T251-F298 HydrophobicContact CG2-CE1 3.55Å; F253-F298 HydrophobicContact CD1-CE1 4.25Å; F253-F298 AromaticContact CD1-CE2 3.71Å; F253-F298 HydrophobicContact CD1-CE2 3.71Å; F253-F298 AromaticContact CD1-CZ 3.39Å; F253-F298 HydrophobicContact CD1-CZ 3.39Å; F253-F298 HydrophobicContact CE1-CD2 4.33Å; F253-F298 AromaticContact CE1-CE2 3.37Å; F253-F298 HydrophobicContact CE1-CE2 3.37Å; F253-F298 AromaticContact CE1-CZ 3.6Å; F253-F298 HydrophobicContact CE1-CZ 3.6Å; F253-F298 HydrophobicContact CG-CZ 4.01Å; F253-F298 HydrophobicContact CZ-CE2 4.02Å; F253-F298 HydrophobicContact CZ-CZ 4.36Å; C296-F298 VanDerWaalsContact C-N 3.33Å; C296-F298 HydrophobicContact CB-CD1 4.15Å; C296-F298 HydrophobicContact CB-CE1 3.66Å; C296-F298 HydrophobicContact CB-CE2 4.34Å; C296-F298 HydrophobicContact CB-CZ 3.77Å; C296-F298 VanDerWaalsContact O-CD1 3.24Å; C296-F298 WeakPolarHBondContact O-CD1 3.36Å; C296-F298 WeakPolarHBondContact O-CE1 3.32Å; F298-L300 HydrophobicContact CD2-CD2 4.49Å
299	M	66.4	Low	53.6	Low	48 Å²	48	74.9 Å²	74.9	24%	0.236	42%	0.424	C	S	.	.			trans	-120.1	146.3	166.6	-64.7	-170.7	-75.7	0	0	109.7	G226 W246 K292 A294 L301	G226-M299 WeakPolarHBondContact CA-O 3.46Å; W246-M299 HydrophobicContact CH2-CB 3.89Å; W246-M299 HydrophobicContact CH2-CE 3.66Å; W246-M299 HydrophobicContact CH2-CG 4.04Å; W246-M299 HydrophobicContact CZ2-CE 4.42Å; W246-M299 HydrophobicContact CZ3-CB 3.84Å; W246-M299 HydrophobicContact CZ3-CG 4.48Å; W246-M299 VanDerWaalsContact CZ3-N 3.33Å; K292-M299 HydrophobicContact CB-SD 4.14Å; A294-M299 HydrophobicContact CB-CG 3.86Å; A294-M299 HydrophobicContact CB-SD 4.33Å; M299-L301 HydrophobicContact CB-CD2 4.28Å; M299-L301 HydrophobicContact CB-CG 4.43Å
300	L	64.8	Low	52	Low	5 Å²	5	78 Å²	78	3%	0.026	45%	0.453	C	S	.	.			trans	-82.6	126	163.3	-57.3	-163.9	0	0	0	108.3	Y228 V242 V244 F253 L285 L288 T289 F298	Y228-L300 HydrophobicContact CD1-CB 3.73Å; Y228-L300 HydrophobicContact CD1-CD1 4.27Å; Y228-L300 HydrophobicContact CD1-CD2 4.03Å; Y228-L300 HydrophobicContact CD1-CG 4.23Å; Y228-L300 HydrophobicContact CE1-CB 3.95Å; Y228-L300 HydrophobicContact CE1-CD1 4.46Å; Y228-L300 HydrophobicContact CG-CB 4.48Å; Y228-L300 HydrophobicContact CG-CD1 4.33Å; Y228-L300 HydrophobicContact CG-CD2 3.99Å; V242-L300 HydrophobicContact CG1-CD2 4.08Å; V244-L300 HydrophobicContact CB-CD2 3.97Å; V244-L300 HydrophobicContact CG2-CD2 3.96Å; F253-L300 HydrophobicContact CE1-CD2 4.04Å; F253-L300 HydrophobicContact CZ-CD1 4.29Å; F253-L300 HydrophobicContact CZ-CD2 4.12Å; L285-L300 HydrophobicContact CD2-CD1 3.75Å; L288-L300 HydrophobicContact CB-CD1 3.61Å; L288-L300 HydrophobicContact CB-CG 4.11Å; L288-L300 HydrophobicContact CD1-CD1 3.97Å; L288-L300 HydrophobicContact CG-CD1 4.44Å; T289-L300 HydrophobicContact CG2-CB 3.56Å; F298-L300 HydrophobicContact CD2-CD2 4.49Å
301	L	63.8	Low	50.2	Low	41 Å²	41	78.3 Å²	78.3	22%	0.215	47%	0.466	C	S	.	.			trans	-118.6	-53.2	178.6	-63	-179	0	0	0	111.5	G226 M299	G226-L301 PolarHBondContact O-N 3.5Å; M299-L301 HydrophobicContact CB-CD2 4.28Å; M299-L301 HydrophobicContact CB-CG 4.43Å
302	Q	68.6	Low	48.8	Very low	69 Å²	69	78.9 Å²	78.9	32%	0.322	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	144.7	-178.1	63.9	-176.5	12.8	0	0	112	G226 D227 Y228	G226-Q302 PolarHBondContact O-N 3.38Å; G226-Q302 VanDerWaalsContact O-N 3.15Å; D227-Q302 CarbonylContact C-O 3.43Å; D227-Q302 WeakPolarHBondContact CA-O 3.38Å; D227-Q302 WeakPolarHBondContact OD1-CG 3.2Å; D227-Q302 PolarHBondContact OD1-NE2 2.92Å; Y228-Q302 WeakPolarHBondContact CD1-O 3.42Å; Y228-Q302 WeakPolarHBondContact CE1-O 3.24Å; Y228-Q302 PolarHBondContact N-O 3.17Å
303	P	65.8	Low	47.5	Very low	30 Å²	30	80.9 Å²	80.9	20%	0.195	50%	0.5	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	141	176.8	28.2	-34.3	0	0	0	112.5	I214 Y228	I214-P303 HydrophobicContact CB-CG 4.49Å; I214-P303 HydrophobicContact CD1-CG 4.19Å; I214-P303 HydrophobicContact CG1-CB 4.3Å; I214-P303 HydrophobicContact CG1-CG 3.36Å; Y228-P303 HydrophobicContact CD2-CB 4.45Å; Y228-P303 HydrophobicContact CE1-CB 4.43Å; Y228-P303 HydrophobicContact CE2-CB 3.78Å; Y228-P303 CarbonylContact O-C 3.55Å; Y228-P303 WeakPolarHBondContact O-CA 3.45Å
304	V	60.4	Low	46.5	Very low	26 Å²	26	80.9 Å²	80.9	16%	0.158	52%	0.517	C	S	.	.	P	Polyproline II helix	trans	-79.7	128.1	167.7	177	0	0	0	0	109.3	W223 D227 Y228 L229	W223-V304 HydrophobicContact CD2-CG1 4.29Å; W223-V304 HydrophobicContact CD2-CG2 3.56Å; W223-V304 HydrophobicContact CE3-CG2 3.59Å; W223-V304 HydrophobicContact CG-CG2 4.15Å; W223-V304 HydrophobicContact CH2-CG2 4.18Å; W223-V304 HydrophobicContact CZ2-CB 4.37Å; W223-V304 HydrophobicContact CZ2-CG1 3.85Å; W223-V304 HydrophobicContact CZ2-CG2 4.08Å; W223-V304 HydrophobicContact CZ3-CG2 3.92Å; D227-V304 HydrophobicContact CB-CG2 3.73Å; Y228-V304 PolarHBondContact O-N 3.44Å; L229-V304 HydrophobicContact CB-CB 4.01Å; L229-V304 HydrophobicContact CB-CG1 4.47Å; L229-V304 HydrophobicContact CB-CG2 4.38Å; L229-V304 HydrophobicContact CD1-CB 4.3Å; L229-V304 HydrophobicContact CD1-CG1 4.37Å
305	L	55.3	Low	45.3	Very low	57 Å²	57	85.5 Å²	85.5	30%	0.298	54%	0.535	S	S	.	.	P	Polyproline II helix	trans	-80.1	135.1	174.7	-93.4	149.3	0	0	0	113.2	I214 E215	I214-L305 HydrophobicContact CB-CD1 4.48Å; I214-L305 HydrophobicContact CG2-CD1 3.66Å; I214-L305 HydrophobicContact CG2-CD2 3.53Å; I214-L305 HydrophobicContact CG2-CG 3.66Å; E215-L305 WeakPolarHBondContact O-CD1 3.48Å
306	V	44.9	Very low	44.8	Very low	93 Å²	93	90 Å²	90	56%	0.564	55%	0.549	S	S	*	.			trans	-131.1	126.8	168.3	174.8	0	0	0	0	107	L229 S308	L229-V306 HydrophobicContact CD1-CB 4.47Å; L229-V306 HydrophobicContact CD1-CG2 3.49Å; L229-V306 VanDerWaalsContact CD1-CG2 3.49Å; L229-V306 HydrophobicContact CD2-CG2 4.36Å; V306-S308 PolarHBondContact O-N 3.46Å
307	N	33.1	Very low	43.9	Very low	156 Å²	156	91 Å²	91	83%	0.834	56%	0.557	S	S	*	*			trans	-54.5	121.6	-178.2	-73.6	7.6	0	0	0	111.5
308	S	36.1	Very low	42.8	Very low	109 Å²	109	98.4 Å²	98.4	76%	0.762	58%	0.576	S	S	*	*			trans	-146.3	102.2	165.1	57.5	0	0	0	0	109.9	V306 A310	V306-S308 PolarHBondContact O-N 3.46Å; S308-A310 PolarHBondContact O-N 3.32Å
309	D	29.2	Very low	41.2	Very low	174 Å²	174	103.4 Å²	103.4	93%	0.93	61%	0.61	S	S	*	*			trans	-61.3	110.8	174.1	-58.7	-68.1	0	0	0	110.9
310	A	32.1	Very low	39.3	Very low	96 Å²	96	110.1 Å²	110.1	79%	0.793	64%	0.641	S	S	*	*			trans	-159.5	114.7	160.8	0	0	0	0	0	113.5	S308	S308-A310 PolarHBondContact O-N 3.32Å
311	N	26.5	Very low	37.4	Very low	163 Å²	163	117.3 Å²	117.3	87%	0.872	68%	0.68	S	S	*	*			trans	-60.1	143.9	165.7	-59.7	-72.3	0	0	0	111.8
312	S	30.5	Very low	35.6	Very low	119 Å²	119	125.5 Å²	125.5	83%	0.832	71%	0.708	S	S	*	*				-179.3	140.4	113.1	40	0	0	0	0	113.6
313	V	27.3	Very low	33.5	Very low	147 Å²	147	127.3 Å²	127.3	89%	0.891	73%	0.728	S	S	*	*			trans	-87	140	172.2	173.8	0	0	0	0	109.3
314	G	28	Very low	31.7	Very low	73 Å²	73	134.4 Å²	134.4	75%	0.753	76%	0.763	S	S	*	*			trans	-148.7	89.5	177.2	0	0	0	0	0	112.1
315	D	24.8	Very low	30	Very low	148 Å²	148	144.5 Å²	144.5	79%	0.791	80%	0.799	S	S	*	*			trans	-72.7	137.5	178.8	-176.9	18.6	0	0	0	112
316	M	28.1	Very low	28.5	Very low	178 Å²	178	151.6 Å²	151.6	88%	0.877	83%	0.827	S	S	*	*			trans	-143.4	119.9	174.6	-84.3	-70.8	-80.7	0	0	110.9
317	S	27.5	Very low	27.6	Very low	109 Å²	109	153.6 Å²	153.6	76%	0.762	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-79	149.7	-167.9	48.8	0	0	0	0	115.4
318	K	25.9	Very low	27.1	Very low	203 Å²	203	152.3 Å²	152.3	88%	0.883	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-73.1	141.3	173.7	-61.4	179.7	179.4	-178.4	0	112
319	P	27.2	Very low	27	Very low	127 Å²	127	153.1 Å²	153.1	83%	0.825	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-84.5	136.3	160.6	32.3	-29.3	0	0	0	111.3
320	Q	24.6	Very low	27.1	Very low	190 Å²	190	152.4 Å²	152.4	89%	0.888	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-88.9	138.4	162.3	-63.2	175.5	-10.4	0	0	108.9
321	D	26.7	Very low	27.5	Very low	155 Å²	155	150 Å²	150	83%	0.829	80%	0.796	S	S	*	*			trans	-154.2	176.6	135.8	-144.4	-12.8	0	0	0	112.6
322	R	25.8	Very low	29.3	Very low	213 Å²	213	143.2 Å²	143.2	80%	0.804	76%	0.759	S	S	*	*			trans	-114.7	161.5	-144.8	-66	159.5	159.1	177.1	-4.7	114.6
323	S	24.6	Very low	31.1	Very low	107 Å²	107	143.3 Å²	143.3	75%	0.748	75%	0.745	S	S	*	*			trans	62.3	89.7	142.4	-65.4	0	0	0	0	118.6
324	L	26.3	Very low	33.6	Very low	179 Å²	179	136.5 Å²	136.5	94%	0.937	70%	0.703	S	S	*	*			trans	-124.6	152.2	142.7	-76.7	177.9	0	0	0	111.6
325	R	25.7	Very low	35.7	Very low	239 Å²	239	134.6 Å²	134.6	90%	0.902	68%	0.677	S	S	*	*			trans	-93.5	152.1	-157.6	-63.3	175.2	179.3	176.2	-0.6	112.4	L327	R325-L327 PolarHBondContact O-N 3.19Å
326	K	23	Very low	38.1	Very low	205 Å²	205	129.5 Å²	129.5	89%	0.891	65%	0.651	S	S	*	*			trans	-48.3	122.3	176.5	-67.4	179.5	172.8	-174.8	0	113
327	L	26	Very low	40.2	Very low	136 Å²	136	124.2 Å²	124.2	71%	0.712	62%	0.622	S	S	*	*			trans	-131.2	138.4	155.7	-91.3	162.8	0	0	0	108.1	R325	R325-L327 PolarHBondContact O-N 3.19Å
328	V	23.4	Very low	42.4	Very low	129 Å²	129	121.6 Å²	121.6	78%	0.782	60%	0.599	S	S	*	*			trans	-111.4	100.7	-162.2	178.1	0	0	0	0	110.1
329	H	33	Very low	44.7	Very low	126 Å²	126	114.1 Å²	114.1	58%	0.583	57%	0.569	S	S	*	*			trans	-133.3	141	177	-61.1	-70.8	0	0	0	111.6
330	K	33	Very low	46.6	Very low	158 Å²	158	115.9 Å²	115.9	69%	0.687	57%	0.566	S	S	*	*			trans	-87.4	151.1	-176.7	-70.6	175.6	179.6	172.3	0	110.6	Q332	K330-Q332 PolarHBondContact O-N 2.83Å
331	G	40.4	Very low	48.8	Very low	46 Å²	46	110.5 Å²	110.5	47%	0.474	56%	0.562	S	S	.	*			trans	-39.1	111.1	-166.9	0	0	0	0	0	116.8	T416	G331-T416 WeakPolarHBondContact CA-OG1 3.37Å
332	Q	63.4	Low	51.2	Low	20 Å²	20	106 Å²	106	9%	0.093	54%	0.542	C	S	.	.			trans	-87.4	124.4	171.8	-70.6	168.4	-27.8	0	0	109.4	K330 C350 C412 T416 N417	K330-Q332 PolarHBondContact O-N 2.83Å; Q332-C350 VanDerWaalsContact CB-O 3.31Å; Q332-C350 WeakPolarHBondContact CB-O 3.42Å; Q332-C350 WeakPolarHBondContact CG-O 3.12Å; Q332-C412 PolarHBondContact NE2-O 3.23Å; Q332-T416 PolarHBondContact N-OG1 2.84Å; Q332-T416 PolarHBondContact O-OG1 3.48Å; Q332-N417 PolarHBondContact O-N 3.12Å
333	K	69.2	Low	53.5	Low	121 Å²	121	100.8 Å²	100.8	53%	0.526	53%	0.525	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	146.7	178.3	-73.8	179.7	177.6	-175.7	0	110.6	C350 N417 V419	K333-C350 HydrophobicContact CB-CB 4.02Å; K333-C350 WeakPolarHBondContact O-CB 3.43Å; K333-C350 PolarHBondContact O-N 3.41Å; K333-N417 CarbonylContact C-O 3.56Å; K333-N417 VanDerWaalsContact CA-O 3.24Å; K333-N417 WeakPolarHBondContact CA-O 3.49Å; K333-N417 HydrophobicContact CG-CB 4.15Å; K333-V419 HydrophobicContact CB-CG2 3.74Å; K333-V419 HydrophobicContact CD-CG2 3.85Å; K333-V419 HydrophobicContact CG-CG2 3.96Å
334	F	78.2	Confident	56.1	Low	4 Å²	4	98.2 Å²	98.2	2%	0.018	50%	0.503	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	155.5	174.7	77	-91.5	0	0	0	112.6	L347 S348 L349 L390 L415 N417 E418 V419	F334-L347 HydrophobicContact CB-CD1 4.05Å; F334-L347 HydrophobicContact CD2-CD1 3.67Å; F334-L347 HydrophobicContact CG-CD1 4.24Å; F334-S348 CarbonylContact C-O 3.53Å; F334-S348 WeakPolarHBondContact CA-O 3.49Å; F334-S348 WeakPolarHBondContact CB-O 3.28Å; F334-L349 HydrophobicContact CB-CD2 3.77Å; F334-L390 HydrophobicContact CE2-CD1 4.27Å; F334-L390 HydrophobicContact CE2-CD2 4.32Å; F334-L415 HydrophobicContact CB-CD2 3.94Å; F334-L415 HydrophobicContact CD1-CB 4.15Å; F334-L415 HydrophobicContact CD1-CD2 3.77Å; F334-L415 HydrophobicContact CD2-CD2 3.85Å; F334-L415 HydrophobicContact CE1-CB 4Å; F334-L415 HydrophobicContact CE1-CD2 4.19Å; F334-L415 HydrophobicContact CE2-CD2 4.27Å; F334-L415 HydrophobicContact CG-CD2 3.58Å; F334-L415 HydrophobicContact CZ-CD2 4.42Å; F334-N417 WeakPolarHBondContact CD1-O 3.38Å; F334-N417 PolarHBondContact N-O 2.86Å; F334-E418 HydrophobicContact CD2-CG 4.47Å; F334-E418 HydrophobicContact CE1-CB 3.86Å; F334-E418 HydrophobicContact CE2-CB 4.03Å; F334-E418 HydrophobicContact CE2-CG 3.81Å; F334-E418 HydrophobicContact CZ-CB 3.57Å; F334-E418 HydrophobicContact CZ-CG 3.85Å; F334-E418 CarbonylContact O-C 3.57Å; F334-E418 WeakPolarHBondContact O-CA 3.23Å; F334-V419 PolarHBondContact O-N 2.81Å
335	T	73.3	Confident	58.7	Low	34 Å²	34	90.3 Å²	90.3	21%	0.209	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	150	170.7	-171.2	0	0	0	0	109.8	S348 V419	T335-S348 PolarHBondContact N-O 2.85Å; T335-S348 PolarHBondContact O-N 3.03Å; T335-V419 WeakPolarHBondContact CB-O 3.35Å; T335-V419 PolarHBondContact OG1-O 2.78Å
336	V	74.9	Confident	61.4	Low	41 Å²	41	79.3 Å²	79.3	25%	0.248	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	135.9	171.8	177.5	0	0	0	0	109	V345 T346 L347 I364 I386 L390	V336-V345 HydrophobicContact CG1-CG1 3.29Å; V336-T346 WeakPolarHBondContact CA-O 3.34Å; V336-L347 HydrophobicContact CG2-CB 4.49Å; V336-L347 HydrophobicContact CG2-CD1 3.78Å; V336-I364 HydrophobicContact CG1-CD1 4.43Å; V336-I364 HydrophobicContact CG2-CD1 4.37Å; V336-I386 HydrophobicContact CG1-CG2 4.33Å; V336-L390 HydrophobicContact CG2-CD1 3.95Å; V336-L390 HydrophobicContact CG2-CD2 4.18Å
337	Y	72.7	Confident	64.5	Low	67 Å²	67	69.5 Å²	69.5	26%	0.263	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	156.9	178.8	69.4	-78.7	0	0	0	110.4	D339 V345 T346 H361	Y337-D339 HydrophobicContact CD2-CB 4.45Å; Y337-D339 HydrophobicContact CE2-CB 3.78Å; Y337-V345 WeakPolarHBondContact O-CA 3.49Å; Y337-T346 WeakPolarHBondContact CD1-O 3.34Å; Y337-T346 HydrophobicContact CE1-CG2 3.75Å; Y337-T346 WeakPolarHBondContact CE1-O 3.29Å; Y337-T346 PolarHBondContact N-O 2.88Å; Y337-T346 PolarHBondContact O-N 3.38Å; Y337-T346 WeakPolarHBondContact OH-CG2 3.39Å; Y337-H361 AromaticContact CE1-ND1 3.77Å; Y337-H361 AromaticContact CZ-ND1 3.67Å; Y337-H361 PolarHBondContact OH-ND1 2.93Å
338	L	73.8	Confident	67.2	Low	54 Å²	54	63.6 Å²	63.6	28%	0.283	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	116.6	168	-176.2	63.6	0	0	0	108.3	E340 V345	L338-E340 PolarHBondContact O-N 2.99Å; L338-V345 HydrophobicContact CD1-CG2 3.99Å
339	D	73.1	Confident	70	Confident	46 Å²	46	57.5 Å²	57.5	25%	0.246	31%	0.312	C	S	.	.			trans	-71.4	116.6	178.5	-178.1	-96.4	0	0	0	110.3	Y337 G341 S342 K343 I344	Y337-D339 HydrophobicContact CD2-CB 4.45Å; Y337-D339 HydrophobicContact CE2-CB 3.78Å; D339-G341 PolarHBondContact O-N 2.83Å; D339-G341 PolarHBondContact OD1-N 2.84Å; D339-S342 WeakPolarHBondContact CB-OG 3.4Å; D339-S342 WeakPolarHBondContact OD1-CB 3.29Å; D339-S342 PolarHBondContact OD1-N 3.32Å; D339-S342 PolarHBondContact OD1-OG 3.08Å; D339-K343 VanDerWaalsContact O-CA 3.22Å; D339-K343 WeakPolarHBondContact O-CA 3.38Å; D339-K343 PolarHBondContact O-N 3.49Å; D339-I344 WeakPolarHBondContact CB-O 3.27Å; D339-I344 PolarHBondContact N-O 3.2Å
340	E	67.6	Low	72.1	Confident	164 Å²	164	52.1 Å²	52.1	77%	0.766	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-33.1	-173	-67.4	-166.5	155.3	0	0	113.3	L338 K343	L338-E340 PolarHBondContact O-N 2.99Å; E340-K343 WeakPolarHBondContact O-CE 3.43Å
341	G	70.4	Confident	74.1	Confident	77 Å²	77	44.8 Å²	44.8	79%	0.794	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-43.7	-175.2	0	0	0	0	0	113.5	D339	D339-G341 PolarHBondContact O-N 2.83Å; D339-G341 PolarHBondContact OD1-N 2.84Å
342	S	76.7	Confident	75.5	Confident	60 Å²	60	47.6 Å²	47.6	42%	0.42	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-17.4	179.6	62.3	0	0	0	0	114.1	D339 I344	D339-S342 WeakPolarHBondContact CB-OG 3.4Å; D339-S342 WeakPolarHBondContact OD1-CB 3.29Å; D339-S342 PolarHBondContact OD1-N 3.32Å; D339-S342 PolarHBondContact OD1-OG 3.08Å; S342-I344 PolarHBondContact O-N 3.29Å; S342-I344 PolarHBondContact OG-N 2.82Å
343	K	75.6	Confident	75.7	Confident	103 Å²	103	49 Å²	49	45%	0.448	27%	0.265	S	S	.	.			trans	55.6	33.6	-170.5	-61.5	-62.3	-169.7	165.1	0	113.1	D272 D339 E340	D272-K343 IonicContact OD2-NZ 3.68Å; D272-K343 PolarHBondContact OD2-NZ 2.81Å; D339-K343 VanDerWaalsContact O-CA 3.22Å; D339-K343 WeakPolarHBondContact O-CA 3.38Å; D339-K343 PolarHBondContact O-N 3.49Å; E340-K343 WeakPolarHBondContact O-CE 3.43Å
344	I	77.9	Confident	75.5	Confident	54 Å²	54	51.4 Å²	51.4	28%	0.277	28%	0.284	S	S	.	.			trans	-112.9	131.3	176.7	-61.6	170.4	0	0	0	108.5	D339 S342 T346 P363	D339-I344 WeakPolarHBondContact CB-O 3.27Å; D339-I344 PolarHBondContact N-O 3.2Å; S342-I344 PolarHBondContact O-N 3.29Å; S342-I344 PolarHBondContact OG-N 2.82Å; I344-T346 PolarHBondContact O-N 3.15Å; I344-T346 PolarHBondContact O-OG1 2.83Å; I344-P363 HydrophobicContact CG2-CB 3.76Å
345	V	81.2	Confident	74.8	Confident	12 Å²	12	60.6 Å²	60.6	7%	0.073	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	122.7	170.5	177.4	0	0	0	0	108.4	P274 V336 Y337 L338 I364 I386	P274-V345 HydrophobicContact CG-CG2 3.68Å; V336-V345 HydrophobicContact CG1-CG1 3.29Å; Y337-V345 WeakPolarHBondContact O-CA 3.49Å; L338-V345 HydrophobicContact CD1-CG2 3.99Å; V345-I364 HydrophobicContact CG1-CD1 4.18Å; V345-I364 WeakPolarHBondContact O-CA 3.3Å; V345-I364 WeakPolarHBondContact O-CB 3.47Å; V345-I364 PolarHBondContact O-N 3.42Å; V345-I386 HydrophobicContact CB-CD1 4.37Å; V345-I386 HydrophobicContact CG1-CD1 3.88Å; V345-I386 HydrophobicContact CG2-CD1 4.19Å
346	T	83.5	Confident	74.3	Confident	8 Å²	8	62 Å²	62	5%	0.049	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	131.3	-169.8	-62.7	0	0	0	0	109.3	V336 Y337 I344 H361	V336-T346 WeakPolarHBondContact CA-O 3.34Å; Y337-T346 WeakPolarHBondContact CD1-O 3.34Å; Y337-T346 HydrophobicContact CE1-CG2 3.75Å; Y337-T346 WeakPolarHBondContact CE1-O 3.29Å; Y337-T346 PolarHBondContact N-O 2.88Å; Y337-T346 PolarHBondContact O-N 3.38Å; Y337-T346 WeakPolarHBondContact OH-CG2 3.39Å; I344-T346 PolarHBondContact O-N 3.15Å; I344-T346 PolarHBondContact O-OG1 2.83Å; T346-H361 HydrophobicContact CG2-CB 3.98Å
347	L	87.1	Confident	74.2	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	115.9	173	173.4	67.7	0	0	0	108.7	F334 V336 L349 V362 I364 I374 L390 I400 L415	F334-L347 HydrophobicContact CB-CD1 4.05Å; F334-L347 HydrophobicContact CD2-CD1 3.67Å; F334-L347 HydrophobicContact CG-CD1 4.24Å; V336-L347 HydrophobicContact CG2-CB 4.49Å; V336-L347 HydrophobicContact CG2-CD1 3.78Å; L347-L349 HydrophobicContact CD1-CD2 4.4Å; L347-L349 HydrophobicContact CD2-CD2 4.16Å; L347-L349 HydrophobicContact CD2-CG 4.33Å; L347-L349 HydrophobicContact CG-CD2 4.18Å; L347-L349 HydrophobicContact CG-CG 4.19Å; L347-V362 PolarHBondContact N-O 3.2Å; L347-V362 PolarHBondContact O-N 3.4Å; L347-I364 HydrophobicContact CB-CD1 4.27Å; L347-I364 HydrophobicContact CB-CG1 4.21Å; L347-I374 HydrophobicContact CD2-CD1 3.74Å; L347-L390 HydrophobicContact CD1-CD2 4.14Å; L347-I400 HydrophobicContact CD2-CD1 3.5Å; L347-I400 VanDerWaalsContact CD2-CD1 3.5Å; L347-L415 HydrophobicContact CD1-CD2 4Å; L347-L415 HydrophobicContact CD2-CD2 4Å
348	S	82.5	Confident	74.2	Confident	12 Å²	12	64.1 Å²	64.1	8%	0.084	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	130.6	168	171	0	0	0	0	110	F334 T335 A360	F334-S348 CarbonylContact C-O 3.53Å; F334-S348 WeakPolarHBondContact CA-O 3.49Å; F334-S348 WeakPolarHBondContact CB-O 3.28Å; T335-S348 PolarHBondContact N-O 2.85Å; T335-S348 PolarHBondContact O-N 3.03Å; S348-A360 CarbonylContact C-O 3.6Å; S348-A360 WeakPolarHBondContact CA-O 3.49Å
349	L	82.8	Confident	74.3	Confident	1 Å²	1	68 Å²	68	1%	0.005	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	128.9	177.1	-63.7	168.5	0	0	0	109.8	F334 L347 L351 Y359 A360 V362 I400 V402 L415	F334-L349 HydrophobicContact CB-CD2 3.77Å; L347-L349 HydrophobicContact CD1-CD2 4.4Å; L347-L349 HydrophobicContact CD2-CD2 4.16Å; L347-L349 HydrophobicContact CD2-CG 4.33Å; L347-L349 HydrophobicContact CG-CD2 4.18Å; L347-L349 HydrophobicContact CG-CG 4.19Å; L349-L351 HydrophobicContact CB-CD2 4.33Å; L349-Y359 CarbonylContact O-C 3.6Å; L349-Y359 WeakPolarHBondContact O-CA 3.41Å; L349-A360 HydrophobicContact CB-CB 4.26Å; L349-A360 PolarHBondContact N-O 2.86Å; L349-A360 PolarHBondContact O-N 3.25Å; L349-V362 HydrophobicContact CD1-CG2 4.11Å; L349-I400 HydrophobicContact CD1-CB 3.77Å; L349-I400 HydrophobicContact CD1-CD1 3.94Å; L349-I400 HydrophobicContact CD1-CG1 4.47Å; L349-I400 HydrophobicContact CD1-CG2 3.6Å; L349-I400 HydrophobicContact CD2-CD1 4.2Å; L349-V402 HydrophobicContact CD1-CG2 4.44Å; L349-L415 HydrophobicContact CD2-CD2 3.78Å
350	C	76.1	Confident	74.6	Confident	13 Å²	13	65.9 Å²	65.9	9%	0.088	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	115	172.5	-177.1	0	0	0	0	109.8	Q332 K333 Y359	Q332-C350 VanDerWaalsContact CB-O 3.31Å; Q332-C350 WeakPolarHBondContact CB-O 3.42Å; Q332-C350 WeakPolarHBondContact CG-O 3.12Å; K333-C350 HydrophobicContact CB-CB 4.02Å; K333-C350 WeakPolarHBondContact O-CB 3.43Å; K333-C350 PolarHBondContact O-N 3.41Å; C350-Y359 HydrophobicContact CB-CD1 4.09Å; C350-Y359 HydrophobicContact CB-CE1 3.86Å
351	L	76.1	Confident	75.3	Confident	3 Å²	3	62.1 Å²	62.1	2%	0.016	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	118.3	-175.2	-54.2	176.9	0	0	0	109.6	L349 L353 K358 A360 L411 G413	L349-L351 HydrophobicContact CB-CD2 4.33Å; L351-L353 HydrophobicContact CB-CD1 4.45Å; L351-K358 PolarHBondContact N-O 2.94Å; L351-K358 PolarHBondContact O-N 2.8Å; L351-A360 HydrophobicContact CD1-CB 3.85Å; L351-A360 HydrophobicContact CG-CB 4.44Å; L351-L411 HydrophobicContact CD1-CB 3.95Å; L351-L411 HydrophobicContact CD1-CD1 3.98Å; L351-G413 VanDerWaalsContact CD2-CA 3.49Å
352	E	69.2	Low	76.2	Confident	105 Å²	105	58.9 Å²	58.9	49%	0.491	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	115.2	172.6	-169.2	-171	169.5	0	0	110.1	L357	E352-L357 HydrophobicContact CB-CD2 4.15Å; E352-L357 HydrophobicContact CG-CD2 4.27Å
353	L	68.1	Low	76.7	Confident	51 Å²	51	57.1 Å²	57.1	27%	0.267	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	117.6	-177.7	-68.9	165.3	0	0	0	109.6	L351 K355 S356 K358 L411	L351-L353 HydrophobicContact CB-CD1 4.45Å; L353-K355 PolarHBondContact O-N 2.94Å; L353-S356 PolarHBondContact N-O 2.79Å; L353-S356 PolarHBondContact O-N 2.81Å; L353-S356 PolarHBondContact O-OG 3.25Å; L353-K358 HydrophobicContact CD1-CB 4.29Å; L353-K358 HydrophobicContact CD1-CD 4.07Å; L353-K358 HydrophobicContact CD1-CG 4.27Å; L353-L411 HydrophobicContact CD1-CD1 3.59Å; L353-L411 HydrophobicContact CD1-CD2 3.66Å; L353-L411 HydrophobicContact CD1-CG 4.21Å; L353-L411 HydrophobicContact CD2-CD2 3.86Å; L353-L411 HydrophobicContact CG-CD2 4.43Å
354	N	64.1	Low	77.4	Confident	171 Å²	171	52.2 Å²	52.2	91%	0.914	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.7	32.6	177.3	-62.3	-34.3	0	0	0	114.8	S356	N354-S356 VanDerWaalsContact C-N 3.33Å
355	K	63.2	Low	78	Confident	197 Å²	197	52.1 Å²	52.1	86%	0.857	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.5	7.6	-173.8	-46.1	175.7	-179.2	179	0	116.4	L353	L353-K355 PolarHBondContact O-N 2.94Å
356	S	64.3	Low	78.3	Confident	62 Å²	62	57.1 Å²	57.1	43%	0.434	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	153.4	162.6	65.2	0	0	0	0	110.5	L353 N354	L353-S356 PolarHBondContact N-O 2.79Å; L353-S356 PolarHBondContact O-N 2.81Å; L353-S356 PolarHBondContact O-OG 3.25Å; N354-S356 VanDerWaalsContact C-N 3.33Å
357	L	72.1	Confident	78.5	Confident	103 Å²	103	58.5 Å²	58.5	54%	0.539	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	126.3	170.9	-60.5	178.8	0	0	0	108.3	E352 Y359	E352-L357 HydrophobicContact CB-CD2 4.15Å; E352-L357 HydrophobicContact CG-CD2 4.27Å; L357-Y359 HydrophobicContact CB-CE2 4.44Å
358	K	72.3	Confident	78.3	Confident	50 Å²	50	67.8 Å²	67.8	22%	0.217	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	139.6	167.3	-72.4	-160.7	168.6	-163.9	0	109.5	L351 L353 D404 E406	L351-K358 PolarHBondContact N-O 2.94Å; L351-K358 PolarHBondContact O-N 2.8Å; L353-K358 HydrophobicContact CD1-CB 4.29Å; L353-K358 HydrophobicContact CD1-CD 4.07Å; L353-K358 HydrophobicContact CD1-CG 4.27Å; K358-D404 VanDerWaalsContact NZ-CG 3.33Å; K358-D404 IonicContact NZ-OD1 2.75Å; K358-D404 PolarHBondContact NZ-OD1 3.09Å; K358-D404 IonicContact NZ-OD2 2.68Å; K358-D404 PolarHBondContact NZ-OD2 2.7Å; K358-E406 IonicContact NZ-OE2 2.82Å; K358-E406 PolarHBondContact NZ-OE2 3.27Å
359	Y	75.5	Confident	78	Confident	135 Å²	135	71.6 Å²	71.6	53%	0.529	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	129	175.6	-64.5	-91.5	0	0	0	109.6	L349 C350 L357	L349-Y359 CarbonylContact O-C 3.6Å; L349-Y359 WeakPolarHBondContact O-CA 3.41Å; C350-Y359 HydrophobicContact CB-CD1 4.09Å; C350-Y359 HydrophobicContact CB-CE1 3.86Å; L357-Y359 HydrophobicContact CB-CE2 4.44Å
360	A	80.3	Confident	77.8	Confident	2 Å²	2	71.7 Å²	71.7	2%	0.017	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	122.4	-178.6	0	0	0	0	0	109.8	S348 L349 L351 V402	S348-A360 CarbonylContact C-O 3.6Å; S348-A360 WeakPolarHBondContact CA-O 3.49Å; L349-A360 HydrophobicContact CB-CB 4.26Å; L349-A360 PolarHBondContact N-O 2.86Å; L349-A360 PolarHBondContact O-N 3.25Å; L351-A360 HydrophobicContact CD1-CB 3.85Å; L351-A360 HydrophobicContact CG-CB 4.44Å; A360-V402 HydrophobicContact CB-CB 4.11Å; A360-V402 HydrophobicContact CB-CG1 3.57Å; A360-V402 HydrophobicContact CB-CG2 3.73Å
361	H	83.1	Confident	78.3	Confident	86 Å²	86	73 Å²	73	40%	0.398	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	115.3	-177.2	-64.2	-101.1	0	0	0	108.9	Y337 T346	Y337-H361 AromaticContact CE1-ND1 3.77Å; Y337-H361 AromaticContact CZ-ND1 3.67Å; Y337-H361 PolarHBondContact OH-ND1 2.93Å; T346-H361 HydrophobicContact CG2-CB 3.98Å
362	V	87.7	Confident	79	Confident	9 Å²	9	73 Å²	73	6%	0.055	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	111.9	-171.8	-174.2	0	0	0	0	108.8	L347 L349 I364 I374 I400 V402	L347-V362 PolarHBondContact N-O 3.2Å; L347-V362 PolarHBondContact O-N 3.4Å; L349-V362 HydrophobicContact CD1-CG2 4.11Å; V362-I364 PolarHBondContact O-N 3.1Å; V362-I374 HydrophobicContact CG1-CG2 3.55Å; V362-I400 HydrophobicContact CG1-CG2 4.14Å; V362-I400 HydrophobicContact CG2-CG2 3.99Å; V362-V402 HydrophobicContact CG2-CG2 3.91Å
363	P	88.6	Confident	80.1	Confident	23 Å²	23	70 Å²	70	15%	0.149	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	129	-179.1	27	-33.1	0	0	0	110.5	F25 I344 K365	F25-P363 HydrophobicContact CD1-CG 3.71Å; F25-P363 HydrophobicContact CE1-CG 3.86Å; F25-P363 HydrophobicContact CG-CG 4.08Å; F25-P363 HydrophobicContact CZ-CG 4.33Å; I344-P363 HydrophobicContact CG2-CB 3.76Å; P363-K365 PolarHBondContact O-N 2.89Å
364	I	89.3	Confident	81.1	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	32%	0.323	C	S	.	.			trans	-82.7	112.4	167.4	-55.5	-176.2	0	0	0	107	V336 V345 L347 V362 F372 I374 I386 L389	V336-I364 HydrophobicContact CG1-CD1 4.43Å; V336-I364 HydrophobicContact CG2-CD1 4.37Å; V345-I364 HydrophobicContact CG1-CD1 4.18Å; V345-I364 WeakPolarHBondContact O-CA 3.3Å; V345-I364 WeakPolarHBondContact O-CB 3.47Å; V345-I364 PolarHBondContact O-N 3.42Å; L347-I364 HydrophobicContact CB-CD1 4.27Å; L347-I364 HydrophobicContact CB-CG1 4.21Å; V362-I364 PolarHBondContact O-N 3.1Å; I364-F372 HydrophobicContact CG2-CB 4.18Å; I364-F372 HydrophobicContact CG2-CD1 4Å; I364-I374 HydrophobicContact CG1-CG1 4.47Å; I364-I386 HydrophobicContact CD1-CG2 3.87Å; I364-L389 HydrophobicContact CG2-CD2 3.56Å
365	K	90.9	Very high	82.3	Confident	51 Å²	51	60.8 Å²	60.8	22%	0.222	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	164.5	175.2	-71.2	-176	170.4	-174.9	0	110	E23 F25 P363 F372 Y373	E23-K365 IonicContact OE2-NZ 2.73Å; E23-K365 PolarHBondContact OE2-NZ 2.84Å; F25-K365 HydrophobicContact CZ-CD 4.13Å; F25-K365 VanDerWaalsContact CZ-CE 3.48Å; P363-K365 PolarHBondContact O-N 2.89Å; K365-F372 CarbonylContact O-C 3.49Å; K365-F372 VanDerWaalsContact O-CA 3.31Å; K365-F372 WeakPolarHBondContact O-CA 3.35Å; K365-Y373 HydrophobicContact CB-CD1 4.26Å; K365-Y373 HydrophobicContact CB-CD2 4.04Å; K365-Y373 HydrophobicContact CB-CE1 3.8Å; K365-Y373 HydrophobicContact CB-CE2 3.56Å; K365-Y373 HydrophobicContact CB-CG 4.36Å; K365-Y373 VanDerWaalsContact CB-CZ 3.41Å; K365-Y373 HydrophobicContact CD-CE2 3.69Å; K365-Y373 WeakPolarHBondContact CD-OH 3.4Å; K365-Y373 HydrophobicContact CG-CE2 4.22Å; K365-Y373 PolarHBondContact N-O 2.91Å; K365-Y373 PolarHBondContact O-N 3.42Å
366	W	88.2	Confident	83.2	Confident	117 Å²	117	56.3 Å²	56.3	44%	0.443	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	155.6	162.5	61.9	95	0	0	0	109.9	P274 Y371 F372 Y373	P274-W366 HydrophobicContact CB-CE3 4.38Å; P274-W366 HydrophobicContact CB-CZ3 4.4Å; W366-Y371 CarbonylContact C-O 3.52Å; W366-Y371 WeakPolarHBondContact CA-O 3.11Å; W366-F372 HydrophobicContact CB-CD1 4.13Å; W366-F372 HydrophobicContact CB-CE1 4.29Å; W366-F372 HydrophobicContact CE3-CE1 4.5Å; W366-Y373 VanDerWaalsContact C-CE1 3.42Å
367	N	86.9	Confident	84.2	Confident	38 Å²	38	58.4 Å²	58.4	20%	0.203	27%	0.274	C	S	.	.			trans	-92	179.1	175.6	79.7	-19.7	0	0	0	111.1	D369 G370 Y371 Y373	N367-D369 PolarHBondContact ND2-OD2 3.1Å; N367-D369 PolarHBondContact O-N 2.86Å; N367-D369 WeakPolarHBondContact OD1-CA 3.4Å; N367-D369 WeakPolarHBondContact OD1-CB 3.37Å; N367-D369 PolarHBondContact OD1-N 2.82Å; N367-G370 WeakPolarHBondContact O-CA 3.42Å; N367-G370 PolarHBondContact O-N 3.01Å; N367-G370 PolarHBondContact OD1-N 3.13Å; N367-Y371 PolarHBondContact N-O 2.79Å; N367-Y371 PolarHBondContact OD1-N 2.92Å; N367-Y373 HydrophobicContact CB-CE1 4.01Å
368	E	82.3	Confident	84.9	Confident	194 Å²	194	53.5 Å²	53.5	91%	0.907	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-36.4	178.3	-62.1	-179.8	172.5	0	0	112	K261 G370	K261-E368 PolarHBondContact NZ-O 2.81Å; E368-G370 PolarHBondContact O-N 3.2Å
369	D	77.3	Confident	85.3	Confident	93 Å²	93	52.1 Å²	52.1	50%	0.497	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-8.3	172.7	-50.3	-57.9	0	0	0	113.7	K261 N367 Y371	K261-D369 WeakPolarHBondContact CD-O 3.42Å; K261-D369 VanDerWaalsContact CE-C 3.45Å; K261-D369 WeakPolarHBondContact CE-O 3.38Å; K261-D369 PolarHBondContact NZ-O 2.7Å; N367-D369 PolarHBondContact ND2-OD2 3.1Å; N367-D369 PolarHBondContact O-N 2.86Å; N367-D369 WeakPolarHBondContact OD1-CA 3.4Å; N367-D369 WeakPolarHBondContact OD1-CB 3.37Å; N367-D369 PolarHBondContact OD1-N 2.82Å; D369-Y371 HydrophobicContact CB-CD2 3.47Å; D369-Y371 VanDerWaalsContact CB-CD2 3.47Å; D369-Y371 HydrophobicContact CB-CE2 3.36Å; D369-Y371 HydrophobicContact CB-CG 4.49Å
370	G	78.8	Confident	85.7	Confident	3 Å²	3	53.1 Å²	53.1	3%	0.031	26%	0.256	C	S	.	.			trans	73	28.7	-178.2	0	0	0	0	0	114.6	K261 N367 E368	K261-G370 VanDerWaalsContact NZ-N 3.13Å; N367-G370 WeakPolarHBondContact O-CA 3.42Å; N367-G370 PolarHBondContact O-N 3.01Å; N367-G370 PolarHBondContact OD1-N 3.13Å; E368-G370 PolarHBondContact O-N 3.2Å
371	Y	87	Confident	85.9	Confident	40 Å²	40	57.3 Å²	57.3	16%	0.157	28%	0.275	C	S	.	.			trans	-87.2	130.6	166.5	-57.6	-63.4	0	0	0	109.9	W366 N367 D369 R382 L383	W366-Y371 CarbonylContact C-O 3.52Å; W366-Y371 WeakPolarHBondContact CA-O 3.11Å; N367-Y371 PolarHBondContact N-O 2.79Å; N367-Y371 PolarHBondContact OD1-N 2.92Å; D369-Y371 HydrophobicContact CB-CD2 3.47Å; D369-Y371 VanDerWaalsContact CB-CD2 3.47Å; D369-Y371 HydrophobicContact CB-CE2 3.36Å; D369-Y371 HydrophobicContact CB-CG 4.49Å; Y371-R382 HydrophobicContact CD1-CB 3.73Å; Y371-R382 HydrophobicContact CD1-CG 4.35Å; Y371-R382 WeakPolarHBondContact CD1-O 3.29Å; Y371-R382 HydrophobicContact CD2-CB 4.46Å; Y371-R382 HydrophobicContact CD2-CG 4.21Å; Y371-R382 HydrophobicContact CE1-CB 3.45Å; Y371-R382 VanDerWaalsContact CE1-CB 3.45Å; Y371-R382 HydrophobicContact CE1-CG 3.98Å; Y371-R382 VanDerWaalsContact CE1-O 3.29Å; Y371-R382 WeakPolarHBondContact CE1-O 3.34Å; Y371-R382 HydrophobicContact CE2-CB 4.29Å; Y371-R382 HydrophobicContact CE2-CG 3.9Å; Y371-R382 HydrophobicContact CG-CB 4.22Å; Y371-R382 HydrophobicContact CG-CG 4.45Å; Y371-L383 CarbonylContact C-O 3.55Å; Y371-L383 WeakPolarHBondContact CA-O 3.42Å; Y371-L383 WeakPolarHBondContact CB-O 3.44Å
372	F	89.3	Confident	86	Confident	2 Å²	2	61.2 Å²	61.2	1%	0.009	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	142.7	179.6	-64.7	-88.5	0	0	0	111.1	P274 E276 I364 K365 W366 L383 S384 I386 L389	P274-F372 HydrophobicContact CB-CE1 3.81Å; P274-F372 HydrophobicContact CB-CZ 3.95Å; P274-F372 HydrophobicContact CG-CE1 3.89Å; P274-F372 HydrophobicContact CG-CZ 4.12Å; E276-F372 HydrophobicContact CB-CE2 4.43Å; E276-F372 HydrophobicContact CG-CE2 3.8Å; E276-F372 HydrophobicContact CG-CZ 3.71Å; I364-F372 HydrophobicContact CG2-CB 4.18Å; I364-F372 HydrophobicContact CG2-CD1 4Å; K365-F372 CarbonylContact O-C 3.49Å; K365-F372 VanDerWaalsContact O-CA 3.31Å; K365-F372 WeakPolarHBondContact O-CA 3.35Å; W366-F372 HydrophobicContact CB-CD1 4.13Å; W366-F372 HydrophobicContact CB-CE1 4.29Å; W366-F372 HydrophobicContact CE3-CE1 4.5Å; F372-L383 PolarHBondContact N-O 2.85Å; F372-S384 WeakPolarHBondContact CE2-O 3.11Å; F372-I386 HydrophobicContact CD1-CG1 3.89Å; F372-I386 HydrophobicContact CE1-CD1 4.18Å; F372-I386 HydrophobicContact CE1-CG1 3.94Å; F372-I386 HydrophobicContact CG-CG1 4.25Å; F372-I386 HydrophobicContact CZ-CG1 4.36Å; F372-L389 HydrophobicContact CB-CB 4.47Å; F372-L389 HydrophobicContact CB-CD2 3.77Å
373	Y	91.8	Very high	85.8	Confident	42 Å²	42	61.7 Å²	61.7	17%	0.165	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	150.1	178.3	64.9	-90.4	0	0	0	112.3	K365 W366 N367 A379	K365-Y373 HydrophobicContact CB-CD1 4.26Å; K365-Y373 HydrophobicContact CB-CD2 4.04Å; K365-Y373 HydrophobicContact CB-CE1 3.8Å; K365-Y373 HydrophobicContact CB-CE2 3.56Å; K365-Y373 HydrophobicContact CB-CG 4.36Å; K365-Y373 VanDerWaalsContact CB-CZ 3.41Å; K365-Y373 HydrophobicContact CD-CE2 3.69Å; K365-Y373 WeakPolarHBondContact CD-OH 3.4Å; K365-Y373 HydrophobicContact CG-CE2 4.22Å; K365-Y373 PolarHBondContact N-O 2.91Å; K365-Y373 PolarHBondContact O-N 3.42Å; W366-Y373 VanDerWaalsContact C-CE1 3.42Å; N367-Y373 HydrophobicContact CB-CE1 4.01Å; Y373-A379 HydrophobicContact CD1-CB 4.14Å; Y373-A379 HydrophobicContact CG-CB 4.4Å
374	I	91	Very high	85.5	Confident	7 Å²	7	60.6 Å²	60.6	4%	0.036	28%	0.282	C	S	.	.	S	Bend	trans	-96.1	-45.4	166.3	-65.6	174.9	0	0	0	108.8	L347 V362 I364 D378 L389 Y393 I400	L347-I374 HydrophobicContact CD2-CD1 3.74Å; V362-I374 HydrophobicContact CG1-CG2 3.55Å; I364-I374 HydrophobicContact CG1-CG1 4.47Å; I374-D378 PolarHBondContact N-OD2 3.08Å; I374-L389 HydrophobicContact CG1-CD2 4.21Å; I374-Y393 HydrophobicContact CB-CE2 4.28Å; I374-Y393 HydrophobicContact CD1-CD2 4.26Å; I374-Y393 HydrophobicContact CD1-CE1 4.45Å; I374-Y393 HydrophobicContact CD1-CE2 4.01Å; I374-Y393 HydrophobicContact CG1-CE2 4.38Å; I374-I400 HydrophobicContact CD1-CD1 3.9Å; I374-I400 HydrophobicContact CD1-CG1 4.27Å; I374-I400 HydrophobicContact CG2-CG2 4.2Å
375	K	88.5	Confident	84.8	Confident	22 Å²	22	60.9 Å²	60.9	10%	0.096	28%	0.283	C	S	.	.	S	Bend	trans	-113	147	177.6	-64.6	175.2	179.2	178.1	0	109.9	Y377 D378 P399 E401	K375-Y377 HydrophobicContact CB-CD1 4.06Å; K375-Y377 HydrophobicContact CB-CE1 3.78Å; K375-Y377 HydrophobicContact CB-CE2 4.22Å; K375-Y377 HydrophobicContact CB-CG 4.44Å; K375-Y377 HydrophobicContact CD-CE1 3.62Å; K375-Y377 HydrophobicContact CD-CE2 4.23Å; K375-Y377 WeakPolarHBondContact CD-OH 3.39Å; K375-Y377 HydrophobicContact CG-CE1 4.33Å; K375-Y377 PolarHBondContact NZ-OH 3.27Å; K375-Y377 VanDerWaalsContact NZ-OH 3.13Å; K375-Y377 PolarHBondContact O-N 2.73Å; K375-D378 PolarHBondContact N-OD2 2.58Å; K375-D378 PolarHBondContact O-N 2.56Å; K375-P399 PolarHBondContact NZ-O 3.47Å; K375-E401 IonicContact NZ-OE1 2.68Å; K375-E401 PolarHBondContact NZ-OE1 2.68Å
376	P	82.7	Confident	84.4	Confident	104 Å²	104	59.2 Å²	59.2	68%	0.675	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-22	-173.8	-28.2	35.6	0	0	0	115.8
377	Y	84.8	Confident	83.7	Confident	106 Å²	106	57.5 Å²	57.5	42%	0.416	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-21.2	176.5	59	-110.5	0	0	0	113.7	K375 A379 Q380	K375-Y377 HydrophobicContact CB-CD1 4.06Å; K375-Y377 HydrophobicContact CB-CE1 3.78Å; K375-Y377 HydrophobicContact CB-CE2 4.22Å; K375-Y377 HydrophobicContact CB-CG 4.44Å; K375-Y377 HydrophobicContact CD-CE1 3.62Å; K375-Y377 HydrophobicContact CD-CE2 4.23Å; K375-Y377 WeakPolarHBondContact CD-OH 3.39Å; K375-Y377 HydrophobicContact CG-CE1 4.33Å; K375-Y377 PolarHBondContact NZ-OH 3.27Å; K375-Y377 VanDerWaalsContact NZ-OH 3.13Å; K375-Y377 PolarHBondContact O-N 2.73Å; Y377-A379 PolarHBondContact O-N 3.07Å; Y377-Q380 WeakPolarHBondContact O-CB 3.28Å; Y377-Q380 WeakPolarHBondContact O-CG 3.36Å; Y377-Q380 PolarHBondContact O-N 2.87Å; Y377-Q380 VanDerWaalsContact O-N 3.13Å
378	D	86.9	Confident	83.4	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-66	-27.4	177.4	-45.2	-34.3	0	0	0	110.8	I374 K375 Q380 Q381 L389 Y393	I374-D378 PolarHBondContact N-OD2 3.08Å; K375-D378 PolarHBondContact N-OD2 2.58Å; K375-D378 PolarHBondContact O-N 2.56Å; D378-Q380 PolarHBondContact O-N 3.49Å; D378-Q381 WeakPolarHBondContact O-CA 3.31Å; D378-Q381 WeakPolarHBondContact O-CB 3.39Å; D378-Q381 WeakPolarHBondContact O-CG 3.39Å; D378-Q381 PolarHBondContact O-N 2.71Å; D378-L389 HydrophobicContact CB-CD1 4.32Å; D378-Y393 VanDerWaalsContact CG-OH 3.27Å; D378-Y393 PolarHBondContact OD1-OH 3.26Å; D378-Y393 VanDerWaalsContact OD1-OH 3.12Å; D378-Y393 WeakPolarHBondContact OD2-CE2 3.4Å; D378-Y393 PolarHBondContact OD2-OH 2.84Å
379	A	80.2	Confident	83.6	Confident	21 Å²	21	48.7 Å²	48.7	17%	0.174	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-58.1	-23	175	0	0	0	0	0	113	Y373 Y377 Q381 R382	Y373-A379 HydrophobicContact CD1-CB 4.14Å; Y373-A379 HydrophobicContact CG-CB 4.4Å; Y377-A379 PolarHBondContact O-N 3.07Å; A379-Q381 VanDerWaalsContact C-N 3.26Å; A379-Q381 PolarHBondContact O-N 3.29Å; A379-R382 PolarHBondContact O-N 2.97Å
380	Q	83.6	Confident	84	Confident	155 Å²	155	45 Å²	45	72%	0.724	21%	0.211	S	C	*	.	G	3₁₀ helix	trans	-70	-23.9	174.1	-57.7	-178.9	10.8	0	0	112.7	Y377 D378 R382	Y377-Q380 WeakPolarHBondContact O-CB 3.28Å; Y377-Q380 WeakPolarHBondContact O-CG 3.36Å; Y377-Q380 PolarHBondContact O-N 2.87Å; Y377-Q380 VanDerWaalsContact O-N 3.13Å; D378-Q380 PolarHBondContact O-N 3.49Å; Q380-R382 VanDerWaalsContact C-N 3.28Å
381	Q	85.2	Confident	83.8	Confident	91 Å²	91	49.3 Å²	49.3	43%	0.425	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-78.2	-12.3	178.6	-53.5	-60.6	-50.8	0	0	112.8	D378 A379 L383 Y392	D378-Q381 WeakPolarHBondContact O-CA 3.31Å; D378-Q381 WeakPolarHBondContact O-CB 3.39Å; D378-Q381 WeakPolarHBondContact O-CG 3.39Å; D378-Q381 PolarHBondContact O-N 2.71Å; A379-Q381 VanDerWaalsContact C-N 3.26Å; A379-Q381 PolarHBondContact O-N 3.29Å; Q381-L383 HydrophobicContact CB-CD1 3.67Å; Q381-L383 HydrophobicContact CB-CD2 4.32Å; Q381-L383 HydrophobicContact CB-CG 3.68Å; Q381-L383 HydrophobicContact CG-CD1 4.29Å; Q381-L383 PolarHBondContact O-N 2.91Å; Q381-Y392 HydrophobicContact CB-CE2 4.49Å; Q381-Y392 HydrophobicContact CG-CD2 4.42Å; Q381-Y392 HydrophobicContact CG-CE1 4.05Å; Q381-Y392 HydrophobicContact CG-CE2 3.74Å
382	R	84.7	Confident	83.7	Confident	168 Å²	168	49 Å²	49	63%	0.634	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	59	32.7	177	-63.5	-179	176.6	174.2	-2.1	114.3	Y371 A379 Q380	Y371-R382 HydrophobicContact CD1-CB 3.73Å; Y371-R382 HydrophobicContact CD1-CG 4.35Å; Y371-R382 WeakPolarHBondContact CD1-O 3.29Å; Y371-R382 HydrophobicContact CD2-CB 4.46Å; Y371-R382 HydrophobicContact CD2-CG 4.21Å; Y371-R382 HydrophobicContact CE1-CB 3.45Å; Y371-R382 VanDerWaalsContact CE1-CB 3.45Å; Y371-R382 HydrophobicContact CE1-CG 3.98Å; Y371-R382 VanDerWaalsContact CE1-O 3.29Å; Y371-R382 WeakPolarHBondContact CE1-O 3.34Å; Y371-R382 HydrophobicContact CE2-CB 4.29Å; Y371-R382 HydrophobicContact CE2-CG 3.9Å; Y371-R382 HydrophobicContact CG-CB 4.22Å; Y371-R382 HydrophobicContact CG-CG 4.45Å; A379-R382 PolarHBondContact O-N 2.97Å; Q380-R382 VanDerWaalsContact C-N 3.28Å
383	L	84.3	Confident	83.6	Confident	19 Å²	19	48.9 Å²	48.9	10%	0.099	23%	0.229	C	C	.	.			trans	-67.7	135.2	176.5	-56.8	160.1	0	0	0	109.2	Y371 F372 Q381 E388 L389 Y392	Y371-L383 CarbonylContact C-O 3.55Å; Y371-L383 WeakPolarHBondContact CA-O 3.42Å; Y371-L383 WeakPolarHBondContact CB-O 3.44Å; F372-L383 PolarHBondContact N-O 2.85Å; Q381-L383 HydrophobicContact CB-CD1 3.67Å; Q381-L383 HydrophobicContact CB-CD2 4.32Å; Q381-L383 HydrophobicContact CB-CG 3.68Å; Q381-L383 HydrophobicContact CG-CD1 4.29Å; Q381-L383 PolarHBondContact O-N 2.91Å; L383-E388 HydrophobicContact CB-CB 4.46Å; L383-E388 HydrophobicContact CD2-CB 4.13Å; L383-L389 HydrophobicContact CB-CB 4.34Å; L383-L389 HydrophobicContact CD1-CD1 3.67Å; L383-Y392 HydrophobicContact CD1-CD1 3.64Å; L383-Y392 HydrophobicContact CD1-CD2 4.27Å; L383-Y392 HydrophobicContact CD1-CE1 4.33Å; L383-Y392 HydrophobicContact CD1-CG 3.62Å; L383-Y392 HydrophobicContact CD2-CG 4.3Å
384	S	81	Confident	83.2	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	24%	0.236	C	C	.	.			trans	-142.3	-7.9	-153.6	61.5	0	0	0	0	116.4	R263 T277 F372 E388	R263-S384 PolarHBondContact NH2-OG 2.81Å; T277-S384 PolarHBondContact N-O 2.81Å; T277-S384 WeakPolarHBondContact O-CB 3.45Å; T277-S384 PolarHBondContact O-OG 3.21Å; F372-S384 WeakPolarHBondContact CE2-O 3.11Å; S384-E388 WeakPolarHBondContact CA-OE2 3.14Å; S384-E388 WeakPolarHBondContact CB-OE2 3.26Å; S384-E388 PolarHBondContact N-OE2 3.11Å; S384-E388 PolarHBondContact OG-OE2 3.33Å
385	T	75.5	Confident	82.5	Confident	5 Å²	5	57.1 Å²	57.1	3%	0.031	27%	0.267	C	S	.	.	S	Bend	trans	-115	161.7	153.1	67	0	0	0	0	108	L266 E276 V278 E387 E388 L389	L266-T385 HydrophobicContact CD1-CG2 3.63Å; E276-T385 HydrophobicContact CB-CG2 4.41Å; E276-T385 WeakPolarHBondContact OE2-CA 3.36Å; E276-T385 WeakPolarHBondContact OE2-CB 3.33Å; V278-T385 HydrophobicContact CG1-CG2 3.85Å; T385-E387 VanDerWaalsContact C-N 3.25Å; T385-E388 PolarHBondContact N-OE2 3.04Å; T385-E388 WeakPolarHBondContact OG1-CB 2.87Å; T385-E388 VanDerWaalsContact OG1-CG 3.32Å; T385-E388 WeakPolarHBondContact OG1-CG 3.45Å; T385-E388 PolarHBondContact OG1-N 3Å; T385-L389 PolarHBondContact O-N 2.87Å
386	I	81.4	Confident	82.2	Confident	17 Å²	17	62.7 Å²	62.7	9%	0.087	29%	0.288	C	S	.	.	H	α-helix	trans	-67.3	-34	170.2	-67.4	151.1	0	0	0	109.5	P274 E276 V336 V345 I364 F372 L389 L390	P274-I386 HydrophobicContact CG-CD1 4.14Å; E276-I386 PolarHBondContact OE2-N 2.8Å; V336-I386 HydrophobicContact CG1-CG2 4.33Å; V345-I386 HydrophobicContact CB-CD1 4.37Å; V345-I386 HydrophobicContact CG1-CD1 3.88Å; V345-I386 HydrophobicContact CG2-CD1 4.19Å; I364-I386 HydrophobicContact CD1-CG2 3.87Å; F372-I386 HydrophobicContact CD1-CG1 3.89Å; F372-I386 HydrophobicContact CE1-CD1 4.18Å; F372-I386 HydrophobicContact CE1-CG1 3.94Å; F372-I386 HydrophobicContact CG-CG1 4.25Å; F372-I386 HydrophobicContact CZ-CG1 4.36Å; I386-L389 PolarHBondContact O-N 2.78Å; I386-L390 HydrophobicContact CG2-CD1 4.08Å; I386-L390 HydrophobicContact CG2-CG 4.24Å; I386-L390 VanDerWaalsContact O-CG 3.32Å; I386-L390 WeakPolarHBondContact O-CG 3.26Å; I386-L390 PolarHBondContact O-N 2.92Å
387	E	75.3	Confident	82.1	Confident	80 Å²	80	63.3 Å²	63.3	37%	0.374	28%	0.282	S	S	.	.	H	α-helix	trans	-56.2	-51.1	173.2	-171.2	-177.9	-176.3	0	0	111.4	R290 T385 L389 L390 E391	R290-E387 IonicContact CZ-OE1 3.82Å; R290-E387 IonicContact NH1-OE1 2.72Å; R290-E387 PolarHBondContact NH1-OE1 2.9Å; T385-E387 VanDerWaalsContact C-N 3.25Å; E387-L389 VanDerWaalsContact C-N 3.27Å; E387-L389 PolarHBondContact O-N 3.4Å; E387-L390 PolarHBondContact O-N 3.4Å; E387-E391 WeakPolarHBondContact O-CB 3.44Å; E387-E391 WeakPolarHBondContact O-CG 3.46Å; E387-E391 PolarHBondContact O-N 2.9Å
388	E	78.8	Confident	82.1	Confident	47 Å²	47	60 Å²	60	22%	0.22	27%	0.271	C	S	.	.	H	α-helix	trans	-57.7	-39.1	176.3	-79.3	175.8	168.3	0	0	111.9	L383 S384 T385 Y392	L383-E388 HydrophobicContact CB-CB 4.46Å; L383-E388 HydrophobicContact CD2-CB 4.13Å; S384-E388 WeakPolarHBondContact CA-OE2 3.14Å; S384-E388 WeakPolarHBondContact CB-OE2 3.26Å; S384-E388 PolarHBondContact N-OE2 3.11Å; S384-E388 PolarHBondContact OG-OE2 3.33Å; T385-E388 PolarHBondContact N-OE2 3.04Å; T385-E388 WeakPolarHBondContact OG1-CB 2.87Å; T385-E388 VanDerWaalsContact OG1-CG 3.32Å; T385-E388 WeakPolarHBondContact OG1-CG 3.45Å; T385-E388 PolarHBondContact OG1-N 3Å; E388-Y392 VanDerWaalsContact O-CB 3.29Å; E388-Y392 WeakPolarHBondContact O-CB 3.21Å; E388-Y392 PolarHBondContact O-N 2.93Å
389	L	87.8	Confident	82	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-68.6	-42.7	178	177.9	63.7	0	0	0	112.4	I364 F372 I374 D378 L383 T385 I386 E387 Y392 Y393	I364-L389 HydrophobicContact CG2-CD2 3.56Å; F372-L389 HydrophobicContact CB-CB 4.47Å; F372-L389 HydrophobicContact CB-CD2 3.77Å; I374-L389 HydrophobicContact CG1-CD2 4.21Å; D378-L389 HydrophobicContact CB-CD1 4.32Å; L383-L389 HydrophobicContact CB-CB 4.34Å; L383-L389 HydrophobicContact CD1-CD1 3.67Å; T385-L389 PolarHBondContact O-N 2.87Å; I386-L389 PolarHBondContact O-N 2.78Å; E387-L389 VanDerWaalsContact C-N 3.27Å; E387-L389 PolarHBondContact O-N 3.4Å; L389-Y392 PolarHBondContact O-N 2.83Å; L389-Y393 HydrophobicContact CD1-CD2 3.98Å; L389-Y393 HydrophobicContact CD1-CE2 3.85Å; L389-Y393 WeakPolarHBondContact O-CD2 3.38Å; L389-Y393 PolarHBondContact O-N 3.16Å; L389-Y393 VanDerWaalsContact O-N 3.14Å
390	L	84.6	Confident	82.3	Confident	17 Å²	17	60.8 Å²	60.8	9%	0.089	27%	0.274	C	S	.	.	H	α-helix	trans	-67.2	-42.2	175.3	-64	173.4	0	0	0	111	F334 V336 L347 I386 E387 Y393 R394 L415	F334-L390 HydrophobicContact CE2-CD1 4.27Å; F334-L390 HydrophobicContact CE2-CD2 4.32Å; V336-L390 HydrophobicContact CG2-CD1 3.95Å; V336-L390 HydrophobicContact CG2-CD2 4.18Å; L347-L390 HydrophobicContact CD1-CD2 4.14Å; I386-L390 HydrophobicContact CG2-CD1 4.08Å; I386-L390 HydrophobicContact CG2-CG 4.24Å; I386-L390 VanDerWaalsContact O-CG 3.32Å; I386-L390 WeakPolarHBondContact O-CG 3.26Å; I386-L390 PolarHBondContact O-N 2.92Å; E387-L390 PolarHBondContact O-N 3.4Å; L390-Y393 PolarHBondContact O-N 3.04Å; L390-R394 WeakPolarHBondContact O-CB 3.44Å; L390-R394 VanDerWaalsContact O-CG 3.24Å; L390-R394 WeakPolarHBondContact O-CG 3.19Å; L390-R394 PolarHBondContact O-N 2.83Å; L390-L415 HydrophobicContact CB-CD1 4.14Å; L390-L415 HydrophobicContact CD2-CD1 3.62Å; L390-L415 HydrophobicContact CD2-CD2 4.45Å; L390-L415 HydrophobicContact CG-CD1 4.49Å
391	E	76.3	Confident	82.3	Confident	93 Å²	93	58.4 Å²	58.4	44%	0.435	26%	0.263	S	S	.	.	H	α-helix	trans	-60.3	-42.7	173.7	-76.6	-166.7	158.8	0	0	111.6	E387 Y393 R394 M395	E387-E391 WeakPolarHBondContact O-CB 3.44Å; E387-E391 WeakPolarHBondContact O-CG 3.46Å; E387-E391 PolarHBondContact O-N 2.9Å; E391-Y393 PolarHBondContact O-N 3.04Å; E391-R394 PolarHBondContact O-N 2.84Å; E391-M395 WeakPolarHBondContact O-CB 3.48Å; E391-M395 PolarHBondContact O-N 3.22Å
392	Y	84.5	Confident	82	Confident	32 Å²	32	54.7 Å²	54.7	13%	0.125	25%	0.247	C	C	.	.	H	α-helix	trans	-56.8	-49.9	174.6	175.3	-105.4	0	0	0	112	Q381 L383 E388 L389 R394 Y396 L398	Q381-Y392 HydrophobicContact CB-CE2 4.49Å; Q381-Y392 HydrophobicContact CG-CD2 4.42Å; Q381-Y392 HydrophobicContact CG-CE1 4.05Å; Q381-Y392 HydrophobicContact CG-CE2 3.74Å; L383-Y392 HydrophobicContact CD1-CD1 3.64Å; L383-Y392 HydrophobicContact CD1-CD2 4.27Å; L383-Y392 HydrophobicContact CD1-CE1 4.33Å; L383-Y392 HydrophobicContact CD1-CG 3.62Å; L383-Y392 HydrophobicContact CD2-CG 4.3Å; E388-Y392 VanDerWaalsContact O-CB 3.29Å; E388-Y392 WeakPolarHBondContact O-CB 3.21Å; E388-Y392 PolarHBondContact O-N 2.93Å; L389-Y392 PolarHBondContact O-N 2.83Å; Y392-R394 PolarHBondContact O-N 3.39Å; Y392-Y396 AromaticContact CD2-CD2 3.44Å; Y392-Y396 HydrophobicContact CD2-CD2 3.44Å; Y392-Y396 VanDerWaalsContact CD2-CD2 3.44Å; Y392-Y396 AromaticContact CD2-CE2 3.55Å; Y392-Y396 HydrophobicContact CD2-CE2 3.55Å; Y392-Y396 AromaticContact CE2-CD2 3.45Å; Y392-Y396 HydrophobicContact CE2-CD2 3.45Å; Y392-Y396 VanDerWaalsContact CE2-CD2 3.45Å; Y392-Y396 AromaticContact CE2-CE2 3.59Å; Y392-Y396 HydrophobicContact CE2-CE2 3.59Å; Y392-Y396 HydrophobicContact CG-CD2 4.26Å; Y392-Y396 WeakPolarHBondContact O-CD2 2.94Å; Y392-Y396 PolarHBondContact O-N 2.86Å; Y392-Y396 VanDerWaalsContact O-N 3.14Å; Y392-L398 HydrophobicContact CD1-CD1 3.81Å; Y392-L398 HydrophobicContact CE1-CD1 3.21Å; Y392-L398 HydrophobicContact CE2-CD1 4.45Å
393	Y	87.4	Confident	81.4	Confident	1 Å²	1	49.2 Å²	49.2	0%	0.004	23%	0.23	C	C	.	.	H	α-helix	trans	-65.2	-36.8	177.7	-91.1	-97.9	0	0	0	112.9	I374 D378 L389 L390 E391 H397 L398 I400 L415	I374-Y393 HydrophobicContact CB-CE2 4.28Å; I374-Y393 HydrophobicContact CD1-CD2 4.26Å; I374-Y393 HydrophobicContact CD1-CE1 4.45Å; I374-Y393 HydrophobicContact CD1-CE2 4.01Å; I374-Y393 HydrophobicContact CG1-CE2 4.38Å; D378-Y393 VanDerWaalsContact CG-OH 3.27Å; D378-Y393 PolarHBondContact OD1-OH 3.26Å; D378-Y393 VanDerWaalsContact OD1-OH 3.12Å; D378-Y393 WeakPolarHBondContact OD2-CE2 3.4Å; D378-Y393 PolarHBondContact OD2-OH 2.84Å; L389-Y393 HydrophobicContact CD1-CD2 3.98Å; L389-Y393 HydrophobicContact CD1-CE2 3.85Å; L389-Y393 WeakPolarHBondContact O-CD2 3.38Å; L389-Y393 PolarHBondContact O-N 3.16Å; L389-Y393 VanDerWaalsContact O-N 3.14Å; L390-Y393 PolarHBondContact O-N 3.04Å; E391-Y393 PolarHBondContact O-N 3.04Å; Y393-H397 CarbonylContact O-C 3.37Å; Y393-H397 WeakPolarHBondContact O-CA 3.45Å; Y393-H397 PolarHBondContact O-N 2.81Å; Y393-H397 VanDerWaalsContact O-N 3.14Å; Y393-L398 HydrophobicContact CD1-CB 3.61Å; Y393-L398 HydrophobicContact CE1-CB 3.89Å; Y393-L398 HydrophobicContact CG-CB 4.24Å; Y393-L398 PolarHBondContact O-N 3.07Å; Y393-I400 HydrophobicContact CD1-CD1 4.01Å; Y393-I400 HydrophobicContact CD1-CG1 3.54Å; Y393-I400 HydrophobicContact CE1-CD1 4.34Å; Y393-I400 HydrophobicContact CE1-CG1 3.5Å; Y393-I400 VanDerWaalsContact CE1-CG1 3.5Å; Y393-L415 HydrophobicContact CG-CD1 4.49Å
394	R	81.9	Confident	80.7	Confident	84 Å²	84	48.6 Å²	48.6	32%	0.317	23%	0.227	S	C	.	.	H	α-helix	trans	-69.4	-51	176.4	-72.5	174	74.3	-166.5	1.7	112.2	L390 E391 Y392 Y396 H397 L415	L390-R394 WeakPolarHBondContact O-CB 3.44Å; L390-R394 VanDerWaalsContact O-CG 3.24Å; L390-R394 WeakPolarHBondContact O-CG 3.19Å; L390-R394 PolarHBondContact O-N 2.83Å; E391-R394 PolarHBondContact O-N 2.84Å; Y392-R394 PolarHBondContact O-N 3.39Å; R394-Y396 PolarHBondContact O-N 3.01Å; R394-H397 PolarHBondContact O-N 3.1Å; R394-L415 HydrophobicContact CG-CB 3.52Å; R394-L415 HydrophobicContact CG-CD1 4.12Å; R394-L415 HydrophobicContact CG-CG 4.49Å
395	M	77.6	Confident	80.1	Confident	137 Å²	137	54.4 Å²	54.4	68%	0.675	25%	0.252	S	S	*	.	H	α-helix	trans	-64.6	-40.4	-174.6	-178.5	169.4	64.3	0	0	112.2	E391	E391-M395 WeakPolarHBondContact O-CB 3.48Å; E391-M395 PolarHBondContact O-N 3.22Å
396	Y	82.2	Confident	79.7	Confident	139 Å²	139	60.8 Å²	60.8	55%	0.545	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	4.4	176.9	-64.5	-68	0	0	0	113.8	Y392 R394 L398	Y392-Y396 AromaticContact CD2-CD2 3.44Å; Y392-Y396 HydrophobicContact CD2-CD2 3.44Å; Y392-Y396 VanDerWaalsContact CD2-CD2 3.44Å; Y392-Y396 AromaticContact CD2-CE2 3.55Å; Y392-Y396 HydrophobicContact CD2-CE2 3.55Å; Y392-Y396 AromaticContact CE2-CD2 3.45Å; Y392-Y396 HydrophobicContact CE2-CD2 3.45Å; Y392-Y396 VanDerWaalsContact CE2-CD2 3.45Å; Y392-Y396 AromaticContact CE2-CE2 3.59Å; Y392-Y396 HydrophobicContact CE2-CE2 3.59Å; Y392-Y396 HydrophobicContact CG-CD2 4.26Å; Y392-Y396 WeakPolarHBondContact O-CD2 2.94Å; Y392-Y396 PolarHBondContact O-N 2.86Å; Y392-Y396 VanDerWaalsContact O-N 3.14Å; R394-Y396 PolarHBondContact O-N 3.01Å; Y396-L398 VanDerWaalsContact C-N 3.26Å; Y396-L398 PolarHBondContact O-N 3.49Å
397	H	79.8	Confident	79.1	Confident	118 Å²	118	63.3 Å²	63.3	55%	0.546	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.8	43.7	-179.9	-160.9	-53.7	0	0	0	112.8	Y393 R394 Y414	Y393-H397 CarbonylContact O-C 3.37Å; Y393-H397 WeakPolarHBondContact O-CA 3.45Å; Y393-H397 PolarHBondContact O-N 2.81Å; Y393-H397 VanDerWaalsContact O-N 3.14Å; R394-H397 PolarHBondContact O-N 3.1Å; H397-Y414 AromaticContact CE1-CD1 3.37Å; H397-Y414 WeakPolarHBondContact CE1-CD1 3.45Å; H397-Y414 AromaticContact CE1-CE1 3.68Å; H397-Y414 AromaticContact CE1-CG 3.6Å; H397-Y414 AromaticContact ND1-CD1 3.17Å; H397-Y414 WeakPolarHBondContact ND1-CD1 3.36Å; H397-Y414 AromaticContact ND1-CE1 3.37Å; H397-Y414 WeakPolarHBondContact ND1-CE1 3.31Å; H397-Y414 AromaticContact ND1-CG 3.88Å; H397-Y414 WeakPolarHBondContact O-CE1 3.16Å
398	L	84.1	Confident	78.9	Confident	37 Å²	37	63.8 Å²	63.8	19%	0.194	32%	0.315	C	S	.	.			trans	-77.9	138.3	-172.5	-63.7	175.1	0	0	0	111.7	Y392 Y393 Y396	Y392-L398 HydrophobicContact CD1-CD1 3.81Å; Y392-L398 HydrophobicContact CE1-CD1 3.21Å; Y392-L398 HydrophobicContact CE2-CD1 4.45Å; Y393-L398 HydrophobicContact CD1-CB 3.61Å; Y393-L398 HydrophobicContact CE1-CB 3.89Å; Y393-L398 HydrophobicContact CG-CB 4.24Å; Y393-L398 PolarHBondContact O-N 3.07Å; Y396-L398 VanDerWaalsContact C-N 3.26Å; Y396-L398 PolarHBondContact O-N 3.49Å
399	P	86.4	Confident	78.7	Confident	36 Å²	36	67 Å²	67	23%	0.234	33%	0.33	C	S	.	.			trans	-76.5	133.4	177.1	30	-32.6	0	0	0	111.1	K375 C412 Y414	K375-P399 PolarHBondContact NZ-O 3.47Å; P399-C412 HydrophobicContact CB-CB 4.29Å; P399-Y414 HydrophobicContact CB-CD1 4.43Å; P399-Y414 HydrophobicContact CB-CE1 3.68Å; P399-Y414 HydrophobicContact CG-CE1 4.43Å
400	I	86.5	Confident	78.1	Confident	1 Å²	1	71 Å²	71	1%	0.005	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	112.3	166.3	-58	168.1	0	0	0	107.2	L347 L349 V362 I374 Y393 V402 C412 G413 L415	L347-I400 HydrophobicContact CD2-CD1 3.5Å; L347-I400 VanDerWaalsContact CD2-CD1 3.5Å; L349-I400 HydrophobicContact CD1-CB 3.77Å; L349-I400 HydrophobicContact CD1-CD1 3.94Å; L349-I400 HydrophobicContact CD1-CG1 4.47Å; L349-I400 HydrophobicContact CD1-CG2 3.6Å; L349-I400 HydrophobicContact CD2-CD1 4.2Å; V362-I400 HydrophobicContact CG1-CG2 4.14Å; V362-I400 HydrophobicContact CG2-CG2 3.99Å; I374-I400 HydrophobicContact CD1-CD1 3.9Å; I374-I400 HydrophobicContact CD1-CG1 4.27Å; I374-I400 HydrophobicContact CG2-CG2 4.2Å; Y393-I400 HydrophobicContact CD1-CD1 4.01Å; Y393-I400 HydrophobicContact CD1-CG1 3.54Å; Y393-I400 HydrophobicContact CE1-CD1 4.34Å; Y393-I400 HydrophobicContact CE1-CG1 3.5Å; Y393-I400 VanDerWaalsContact CE1-CG1 3.5Å; I400-V402 HydrophobicContact CG2-CG2 4.49Å; I400-C412 WeakPolarHBondContact O-CA 3.47Å; I400-G413 PolarHBondContact N-O 2.84Å; I400-G413 PolarHBondContact O-N 2.83Å; I400-L415 HydrophobicContact CD1-CD2 3.93Å; I400-L415 HydrophobicContact CD1-CG 4.02Å
401	E	83.4	Confident	77.8	Confident	105 Å²	105	70.9 Å²	70.9	49%	0.491	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	132.7	-178.5	-74.2	154.4	-120.7	0	0	110.4	K375 V410 L411	K375-E401 IonicContact NZ-OE1 2.68Å; K375-E401 PolarHBondContact NZ-OE1 2.68Å; E401-V410 HydrophobicContact CB-CG1 3.92Å; E401-V410 HydrophobicContact CG-CG1 3.97Å; E401-L411 CarbonylContact C-O 3.51Å; E401-L411 WeakPolarHBondContact CA-O 3.48Å
402	V	78.9	Confident	77.9	Confident	12 Å²	12	69.2 Å²	69.2	7%	0.073	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	125.7	-177.7	-174.3	0	0	0	0	108.3	L27 L349 A360 V362 I400 D404 L411	L27-V402 HydrophobicContact CD2-CG1 4.15Å; L349-V402 HydrophobicContact CD1-CG2 4.44Å; A360-V402 HydrophobicContact CB-CB 4.11Å; A360-V402 HydrophobicContact CB-CG1 3.57Å; A360-V402 HydrophobicContact CB-CG2 3.73Å; V362-V402 HydrophobicContact CG2-CG2 3.91Å; I400-V402 HydrophobicContact CG2-CG2 4.49Å; V402-D404 PolarHBondContact O-N 3.23Å; V402-L411 PolarHBondContact N-O 3.25Å; V402-L411 WeakPolarHBondContact O-CB 3.31Å; V402-L411 PolarHBondContact O-N 3.37Å
403	N	72.2	Confident	77.5	Confident	54 Å²	54	67.7 Å²	67.7	29%	0.289	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	121.1	173.7	-65.3	-43.2	0	0	0	110.7	L24 L27 K405	L24-N403 WeakPolarHBondContact CD2-ND2 3.44Å; L27-N403 WeakPolarHBondContact CD1-O 3.22Å; N403-K405 PolarHBondContact O-N 3.35Å
404	D	70	Confident	77.2	Confident	5 Å²	5	69.7 Å²	69.7	3%	0.027	35%	0.354	C	S	.	.			trans	-72.3	117.1	164.2	-164.3	-27.6	0	0	0	109	K358 V402 E406 T407 A408 E409 L411	K358-D404 VanDerWaalsContact NZ-CG 3.33Å; K358-D404 IonicContact NZ-OD1 2.75Å; K358-D404 PolarHBondContact NZ-OD1 3.09Å; K358-D404 IonicContact NZ-OD2 2.68Å; K358-D404 PolarHBondContact NZ-OD2 2.7Å; V402-D404 PolarHBondContact O-N 3.23Å; D404-E406 VanDerWaalsContact C-N 3.25Å; D404-E406 PolarHBondContact O-N 3.41Å; D404-E406 WeakPolarHBondContact OD1-CB 3.32Å; D404-E406 PolarHBondContact OD1-N 2.63Å; D404-T407 WeakPolarHBondContact CB-OG1 3.16Å; D404-A408 WeakPolarHBondContact O-CA 3.39Å; D404-A408 PolarHBondContact O-N 2.9Å; D404-E409 PolarHBondContact N-O 3.08Å; D404-L411 HydrophobicContact CB-CD1 3.79Å; D404-L411 HydrophobicContact CB-CG 4.07Å
405	K	66.9	Low	77.1	Confident	122 Å²	122	66.2 Å²	66.2	53%	0.53	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-24.9	178.3	-81	-170.1	170.4	178.1	0	113.2	T26 L27 N403	T26-K405 VanDerWaalsContact CG2-CE 3.46Å; L27-K405 HydrophobicContact CB-CD 4.3Å; L27-K405 HydrophobicContact CB-CG 4.35Å; L27-K405 VanDerWaalsContact O-CD 3.3Å; L27-K405 WeakPolarHBondContact O-CD 3.14Å; L27-K405 WeakPolarHBondContact O-CE 3.46Å; L27-K405 PolarHBondContact O-NZ 3.26Å; N403-K405 PolarHBondContact O-N 3.35Å
406	E	67.7	Low	76.7	Confident	139 Å²	139	62.2 Å²	62.2	65%	0.65	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-39.9	-174.4	-59.8	179	156.3	0	0	111.2	K358 D404	K358-E406 IonicContact NZ-OE2 2.82Å; K358-E406 PolarHBondContact NZ-OE2 3.27Å; D404-E406 VanDerWaalsContact C-N 3.25Å; D404-E406 PolarHBondContact O-N 3.41Å; D404-E406 WeakPolarHBondContact OD1-CB 3.32Å; D404-E406 PolarHBondContact OD1-N 2.63Å
407	T	69	Low	75.8	Confident	70 Å²	70	57.1 Å²	57.1	43%	0.429	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-12.4	-178	65.1	0	0	0	0	113.8	D404 E409	D404-T407 WeakPolarHBondContact CB-OG1 3.16Å; T407-E409 PolarHBondContact O-N 2.71Å; T407-E409 WeakPolarHBondContact OG1-CB 3.25Å; T407-E409 WeakPolarHBondContact OG1-CG 3.24Å; T407-E409 PolarHBondContact OG1-N 2.94Å; T407-E409 PolarHBondContact OG1-OE2 3.4Å; T407-E409 VanDerWaalsContact OG1-OE2 3.05Å
408	A	71.2	Confident	75.1	Confident	90 Å²	90	56.3 Å²	56.3	74%	0.744	30%	0.304	S	S	*	.			trans	58.2	20.4	-167.9	0	0	0	0	0	114	D404	D404-A408 WeakPolarHBondContact O-CA 3.39Å; D404-A408 PolarHBondContact O-N 2.9Å
409	E	73.2	Confident	73.6	Confident	114 Å²	114	57.5 Å²	57.5	53%	0.533	31%	0.312	S	S	.	.			trans	-87.6	148.6	176.8	-64.1	173.6	141.7	0	0	111.7	D404 T407	D404-E409 PolarHBondContact N-O 3.08Å; T407-E409 PolarHBondContact O-N 2.71Å; T407-E409 WeakPolarHBondContact OG1-CB 3.25Å; T407-E409 WeakPolarHBondContact OG1-CG 3.24Å; T407-E409 PolarHBondContact OG1-N 2.94Å; T407-E409 PolarHBondContact OG1-OE2 3.4Å; T407-E409 VanDerWaalsContact OG1-OE2 3.05Å
410	V	76.7	Confident	71.8	Confident	84 Å²	84	59.9 Å²	59.9	51%	0.509	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	113.4	169.7	-172.6	0	0	0	0	108.5	E401	E401-V410 HydrophobicContact CB-CG1 3.92Å; E401-V410 HydrophobicContact CG-CG1 3.97Å
411	L	77.9	Confident	69.6	Low	16 Å²	16	64.2 Å²	64.2	8%	0.084	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	143.3	174.6	-52.9	174.4	0	0	0	109.7	L351 L353 E401 V402 D404	L351-L411 HydrophobicContact CD1-CB 3.95Å; L351-L411 HydrophobicContact CD1-CD1 3.98Å; L353-L411 HydrophobicContact CD1-CD1 3.59Å; L353-L411 HydrophobicContact CD1-CD2 3.66Å; L353-L411 HydrophobicContact CD1-CG 4.21Å; L353-L411 HydrophobicContact CD2-CD2 3.86Å; L353-L411 HydrophobicContact CG-CD2 4.43Å; E401-L411 CarbonylContact C-O 3.51Å; E401-L411 WeakPolarHBondContact CA-O 3.48Å; V402-L411 PolarHBondContact N-O 3.25Å; V402-L411 WeakPolarHBondContact O-CB 3.31Å; V402-L411 PolarHBondContact O-N 3.37Å; D404-L411 HydrophobicContact CB-CD1 3.79Å; D404-L411 HydrophobicContact CB-CG 4.07Å
412	C	78.5	Confident	67.4	Low	57 Å²	57	62.3 Å²	62.3	39%	0.385	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	120.5	176	-67.8	0	0	0	0	111.1	Q332 P399 I400	Q332-C412 PolarHBondContact NE2-O 3.23Å; P399-C412 HydrophobicContact CB-CB 4.29Å; I400-C412 WeakPolarHBondContact O-CA 3.47Å
413	G	76.8	Confident	65.4	Low	0 Å²	0	66.5 Å²	66.5	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	152.7	168.5	0	0	0	0	0	112.3	L351 I400	L351-G413 VanDerWaalsContact CD2-CA 3.49Å; I400-G413 PolarHBondContact N-O 2.84Å; I400-G413 PolarHBondContact O-N 2.83Å
414	Y	80.4	Confident	63.5	Low	43 Å²	43	69.8 Å²	69.8	17%	0.169	37%	0.366	C	S	.	.			trans	-131	139.7	173	-62.5	-82.3	0	0	0	109.9	H397 P399 T416	H397-Y414 AromaticContact CE1-CD1 3.37Å; H397-Y414 WeakPolarHBondContact CE1-CD1 3.45Å; H397-Y414 AromaticContact CE1-CE1 3.68Å; H397-Y414 AromaticContact CE1-CG 3.6Å; H397-Y414 AromaticContact ND1-CD1 3.17Å; H397-Y414 WeakPolarHBondContact ND1-CD1 3.36Å; H397-Y414 AromaticContact ND1-CE1 3.37Å; H397-Y414 WeakPolarHBondContact ND1-CE1 3.31Å; H397-Y414 AromaticContact ND1-CG 3.88Å; H397-Y414 WeakPolarHBondContact O-CE1 3.16Å; P399-Y414 HydrophobicContact CB-CD1 4.43Å; P399-Y414 HydrophobicContact CB-CE1 3.68Å; P399-Y414 HydrophobicContact CG-CE1 4.43Å; Y414-T416 PolarHBondContact O-N 3.01Å
415	L	80.7	Confident	61.8	Low	12 Å²	12	72.2 Å²	72.2	6%	0.063	38%	0.377	C	S	.	.			trans	-72.2	97.8	176.2	-61.6	-175.8	0	0	0	109.9	F334 L347 L349 L390 Y393 R394 I400	F334-L415 HydrophobicContact CB-CD2 3.94Å; F334-L415 HydrophobicContact CD1-CB 4.15Å; F334-L415 HydrophobicContact CD1-CD2 3.77Å; F334-L415 HydrophobicContact CD2-CD2 3.85Å; F334-L415 HydrophobicContact CE1-CB 4Å; F334-L415 HydrophobicContact CE1-CD2 4.19Å; F334-L415 HydrophobicContact CE2-CD2 4.27Å; F334-L415 HydrophobicContact CG-CD2 3.58Å; F334-L415 HydrophobicContact CZ-CD2 4.42Å; L347-L415 HydrophobicContact CD1-CD2 4Å; L347-L415 HydrophobicContact CD2-CD2 4Å; L349-L415 HydrophobicContact CD2-CD2 3.78Å; L390-L415 HydrophobicContact CB-CD1 4.14Å; L390-L415 HydrophobicContact CD2-CD1 3.62Å; L390-L415 HydrophobicContact CD2-CD2 4.45Å; L390-L415 HydrophobicContact CG-CD1 4.49Å; Y393-L415 HydrophobicContact CG-CD1 4.49Å; R394-L415 HydrophobicContact CG-CB 3.52Å; R394-L415 HydrophobicContact CG-CD1 4.12Å; R394-L415 HydrophobicContact CG-CG 4.49Å; I400-L415 HydrophobicContact CD1-CD2 3.93Å; I400-L415 HydrophobicContact CD1-CG 4.02Å
416	T	67.7	Low	60	Low	52 Å²	52	70 Å²	70	32%	0.319	37%	0.367	S	S	.	.			trans	-112.2	-55.5	176.6	65.4	0	0	0	0	112.6	G331 Q332 Y414	G331-T416 WeakPolarHBondContact CA-OG1 3.37Å; Q332-T416 PolarHBondContact N-OG1 2.84Å; Q332-T416 PolarHBondContact O-OG1 3.48Å; Y414-T416 PolarHBondContact O-N 3.01Å
417	N	64.1	Low	58.4	Low	33 Å²	33	73 Å²	73	18%	0.176	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	111	-171.9	-59.6	-24	0	0	0	111	Q186 Q332 K333 F334	Q186-N417 WeakPolarHBondContact CG-OD1 3.44Å; Q332-N417 PolarHBondContact O-N 3.12Å; K333-N417 CarbonylContact C-O 3.56Å; K333-N417 VanDerWaalsContact CA-O 3.24Å; K333-N417 WeakPolarHBondContact CA-O 3.49Å; K333-N417 HydrophobicContact CG-CB 4.15Å; F334-N417 WeakPolarHBondContact CD1-O 3.38Å; F334-N417 PolarHBondContact N-O 2.86Å
418	E	64	Low	56.6	Low	101 Å²	101	76.7 Å²	76.7	47%	0.472	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	139	175.3	-168.4	169.4	-177.6	0	0	111.4	F334 L420	F334-E418 HydrophobicContact CD2-CG 4.47Å; F334-E418 HydrophobicContact CE1-CB 3.86Å; F334-E418 HydrophobicContact CE2-CB 4.03Å; F334-E418 HydrophobicContact CE2-CG 3.81Å; F334-E418 HydrophobicContact CZ-CB 3.57Å; F334-E418 HydrophobicContact CZ-CG 3.85Å; F334-E418 CarbonylContact O-C 3.57Å; F334-E418 WeakPolarHBondContact O-CA 3.23Å; E418-L420 HydrophobicContact CG-CD2 4.33Å
419	V	54.5	Low	54.8	Low	61 Å²	61	79.1 Å²	79.1	37%	0.37	37%	0.374	S	S	.	.			trans	-116	105.7	173.6	179	0	0	0	0	106.9	K333 F334 T335	K333-V419 HydrophobicContact CB-CG2 3.74Å; K333-V419 HydrophobicContact CD-CG2 3.85Å; K333-V419 HydrophobicContact CG-CG2 3.96Å; F334-V419 PolarHBondContact O-N 2.81Å; T335-V419 WeakPolarHBondContact CB-O 3.35Å; T335-V419 PolarHBondContact OG1-O 2.78Å
420	L	47	Very low	52.7	Low	86 Å²	86	75.5 Å²	75.5	45%	0.45	36%	0.363	S	S	.	.			trans	-71.9	143.7	174.7	-62	173.7	0	0	0	109.9	E418 L422 F425	E418-L420 HydrophobicContact CG-CD2 4.33Å; L420-L422 PolarHBondContact O-N 3.24Å; L420-F425 HydrophobicContact CB-CE2 4.07Å; L420-F425 HydrophobicContact CD1-CE2 4.44Å
421	N	41.7	Very low	50.7	Low	92 Å²	92	74.2 Å²	74.2	49%	0.492	35%	0.353	S	S	.	.			trans	-69.3	95.4	175.8	-178.6	-8.7	0	0	0	110.2	E423 Y424 F425	N421-E423 PolarHBondContact O-N 2.81Å; N421-E423 PolarHBondContact OD1-N 2.82Å; N421-Y424 WeakPolarHBondContact O-CB 3.41Å; N421-Y424 PolarHBondContact O-N 2.74Å; N421-Y424 PolarHBondContact OD1-N 2.72Å; N421-F425 WeakPolarHBondContact O-CD2 3.48Å; N421-F425 PolarHBondContact O-N 2.93Å
422	L	36.4	Very low	48.8	Very low	65 Å²	65	81.6 Å²	81.6	34%	0.34	39%	0.387	S	S	.	.	H	α-helix	trans	-61.9	-24.9	-179.8	-69.2	171.2	0	0	0	113.2	M91 L420 F425 K426	M91-L422 HydrophobicContact CE-CD1 4.44Å; L420-L422 PolarHBondContact O-N 3.24Å; L422-F425 PolarHBondContact O-N 2.99Å; L422-K426 VanDerWaalsContact O-CB 3.29Å; L422-K426 WeakPolarHBondContact O-CB 3.4Å; L422-K426 WeakPolarHBondContact O-CG 3.36Å; L422-K426 PolarHBondContact O-N 2.97Å
423	E	36	Very low	47.4	Very low	100 Å²	100	86.9 Å²	86.9	47%	0.467	41%	0.406	S	S	.	.	H	α-helix	trans	-69.6	-34.5	175.8	-72.4	-154.8	150.6	0	0	113	N421 K426 R427	N421-E423 PolarHBondContact O-N 2.81Å; N421-E423 PolarHBondContact OD1-N 2.82Å; E423-K426 PolarHBondContact O-N 3.24Å; E423-R427 PolarHBondContact O-N 2.79Å; E423-R427 VanDerWaalsContact O-N 3.1Å
424	Y	34.1	Very low	46.4	Very low	123 Å²	123	91.7 Å²	91.7	48%	0.482	43%	0.432	S	S	.	.	H	α-helix	trans	-61.4	-46.7	172.7	-177.1	-96.4	0	0	0	110.4	N421 F428	N421-Y424 WeakPolarHBondContact O-CB 3.41Å; N421-Y424 PolarHBondContact O-N 2.74Å; N421-Y424 PolarHBondContact OD1-N 2.72Å; Y424-F428 HydrophobicContact CE2-CE2 4.44Å
425	F	32.4	Very low	45.8	Very low	56 Å²	56	92.4 Å²	92.4	25%	0.246	44%	0.438	C	S	.	.	H	α-helix	trans	-67.9	-39.1	175.6	-71.4	-78.1	0	0	0	112.7	F95 L420 N421 L422 R427 F428 Y429	F95-F425 HydrophobicContact CE1-CE1 4.5Å; F95-F425 HydrophobicContact CZ-CD1 4.34Å; F95-F425 HydrophobicContact CZ-CE1 4.44Å; L420-F425 HydrophobicContact CB-CE2 4.07Å; L420-F425 HydrophobicContact CD1-CE2 4.44Å; N421-F425 WeakPolarHBondContact O-CD2 3.48Å; N421-F425 PolarHBondContact O-N 2.93Å; L422-F425 PolarHBondContact O-N 2.99Å; F425-R427 VanDerWaalsContact C-N 3.35Å; F425-R427 PolarHBondContact O-N 3.26Å; F425-F428 PolarHBondContact O-N 2.91Å; F425-F428 VanDerWaalsContact O-N 3.08Å; F425-Y429 PolarHBondContact O-N 2.96Å
426	K	30.7	Very low	45.7	Very low	77 Å²	77	92.6 Å²	92.6	34%	0.335	44%	0.44	S	S	.	.	H	α-helix	trans	-58.4	-42.9	177.8	-80.1	172.9	174.1	-164.9	0	112	L422 E423 F428 Y429 A430	L422-K426 VanDerWaalsContact O-CB 3.29Å; L422-K426 WeakPolarHBondContact O-CB 3.4Å; L422-K426 WeakPolarHBondContact O-CG 3.36Å; L422-K426 PolarHBondContact O-N 2.97Å; E423-K426 PolarHBondContact O-N 3.24Å; K426-F428 PolarHBondContact O-N 3.34Å; K426-Y429 PolarHBondContact O-N 3.26Å; K426-A430 HydrophobicContact CB-CB 3.71Å; K426-A430 HydrophobicContact CG-CB 3.7Å; K426-A430 WeakPolarHBondContact O-CA 3.44Å; K426-A430 WeakPolarHBondContact O-CB 3.38Å; K426-A430 PolarHBondContact O-N 2.84Å
427	R	32.9	Very low	46.2	Very low	202 Å²	202	93.2 Å²	93.2	76%	0.762	44%	0.444	S	S	*	.	H	α-helix	trans	-65.1	-18.8	177.9	-79.2	-172.9	174.8	174.6	2.8	114.7	E423 F425	E423-R427 PolarHBondContact O-N 2.79Å; E423-R427 VanDerWaalsContact O-N 3.1Å; F425-R427 VanDerWaalsContact C-N 3.35Å; F425-R427 PolarHBondContact O-N 3.26Å
428	F	31.7	Very low	46.7	Very low	146 Å²	146	97.3 Å²	97.3	64%	0.64	46%	0.462	S	S	*	.	H	α-helix	trans	-104.2	-23.9	176.5	-79.3	-84.2	0	0	0	114.2	Y424 F425 K426	Y424-F428 HydrophobicContact CE2-CE2 4.44Å; F425-F428 PolarHBondContact O-N 2.91Å; F425-F428 VanDerWaalsContact O-N 3.08Å; K426-F428 PolarHBondContact O-N 3.34Å
429	Y	34.4	Very low	47.4	Very low	142 Å²	142	93.3 Å²	93.3	56%	0.557	44%	0.444	S	S	*	.	H	α-helix	trans	-132.5	-20.5	-171.1	-67.2	-78.4	0	0	0	116.1	F425 K426 I431	F425-Y429 PolarHBondContact O-N 2.96Å; K426-Y429 PolarHBondContact O-N 3.26Å; Y429-I431 PolarHBondContact O-N 2.82Å
430	A	28	Very low	48.6	Very low	38 Å²	38	95 Å²	95	31%	0.314	45%	0.447	S	S	.	.			trans	-83	86.2	179.7	0	0	0	0	0	111.3	K426	K426-A430 HydrophobicContact CB-CB 3.71Å; K426-A430 HydrophobicContact CG-CB 3.7Å; K426-A430 WeakPolarHBondContact O-CA 3.44Å; K426-A430 WeakPolarHBondContact O-CB 3.38Å; K426-A430 PolarHBondContact O-N 2.84Å
431	I	34.7	Very low	50.4	Low	57 Å²	57	91.1 Å²	91.1	29%	0.292	43%	0.427	S	S	.	.			trans	-77	115.1	147.4	-65.7	165	0	0	0	105.8	Y429 Q438 M439	Y429-I431 PolarHBondContact O-N 2.82Å; I431-Q438 HydrophobicContact CG2-CB 3.53Å; I431-Q438 HydrophobicContact CG2-CG 4.48Å; I431-M439 HydrophobicContact CD1-CB 4.37Å; I431-M439 HydrophobicContact CD1-CG 4.02Å
432	E	38.3	Very low	52.7	Low	170 Å²	170	87.6 Å²	87.6	79%	0.794	41%	0.408	S	S	*	.	S	Bend	trans	-59.9	139	168.4	-67.7	-177.1	155.4	0	0	110
433	E	48.4	Very low	55.3	Low	168 Å²	168	85.2 Å²	85.2	79%	0.785	40%	0.395	S	S	*	.	S	Bend	trans	67.7	151.5	179.6	-55.8	-171.2	145.1	0	0	117.2	D435	E433-D435 PolarHBondContact O-N 2.83Å
434	N	56.2	Low	57.8	Low	102 Å²	102	87 Å²	87	55%	0.545	40%	0.401	S	S	.	.	S	Bend	trans	-73.5	20.5	-174.2	-90.7	-52.9	0	0	0	114.4	S513	N434-S513 WeakPolarHBondContact O-CB 3.4Å; N434-S513 WeakPolarHBondContact OD1-CB 3.5Å; N434-S513 PolarHBondContact OD1-OG 3.12Å
435	D	68.2	Low	60.4	Low	57 Å²	57	85.9 Å²	85.9	31%	0.305	40%	0.403	S	S	.	.			trans	-91.8	116.2	-173.2	-174.4	9.9	0	0	0	112.5	E433 T437 Q438	E433-D435 PolarHBondContact O-N 2.83Å; D435-T437 VanDerWaalsContact CG-OG1 3.32Å; D435-T437 PolarHBondContact O-N 2.9Å; D435-T437 VanDerWaalsContact O-N 3.15Å; D435-T437 WeakPolarHBondContact OD1-CG2 3.4Å; D435-T437 PolarHBondContact OD1-N 3.22Å; D435-T437 PolarHBondContact OD1-OG1 2.76Å; D435-T437 PolarHBondContact OD2-OG1 2.97Å; D435-Q438 HydrophobicContact CB-CG 4.14Å; D435-Q438 PolarHBondContact O-N 3.38Å
436	V	78.1	Confident	63.1	Low	16 Å²	16	84.1 Å²	84.1	10%	0.097	40%	0.397	C	S	.	.	G	3₁₀ helix	trans	-58.8	-23.3	173.5	72.7	0	0	0	0	112.8	Q438 M439 F442 L463 T472 L514 I518	V436-Q438 VanDerWaalsContact C-N 3.27Å; V436-Q438 PolarHBondContact O-N 2.85Å; V436-M439 HydrophobicContact CG2-SD 4.01Å; V436-M439 WeakPolarHBondContact O-CB 3.49Å; V436-M439 PolarHBondContact O-N 2.9Å; V436-F442 WeakPolarHBondContact O-CB 3.42Å; V436-L463 HydrophobicContact CG2-CD1 3.61Å; V436-T472 HydrophobicContact CG2-CG2 4.33Å; V436-L514 HydrophobicContact CG2-CD2 4.13Å; V436-L514 HydrophobicContact CG2-CG 4.27Å; V436-I518 HydrophobicContact CG2-CD1 4.23Å
437	T	79.4	Confident	66	Low	65 Å²	65	83.7 Å²	83.7	40%	0.399	40%	0.401	S	S	.	.	G	3₁₀ helix	trans	-73.2	-17.6	180	84.4	0	0	0	0	114.4	D435 F442	D435-T437 VanDerWaalsContact CG-OG1 3.32Å; D435-T437 PolarHBondContact O-N 2.9Å; D435-T437 VanDerWaalsContact O-N 3.15Å; D435-T437 WeakPolarHBondContact OD1-CG2 3.4Å; D435-T437 PolarHBondContact OD1-N 3.22Å; D435-T437 PolarHBondContact OD1-OG1 2.76Å; D435-T437 PolarHBondContact OD2-OG1 2.97Å; T437-F442 HydrophobicContact CG2-CD1 4.2Å; T437-F442 HydrophobicContact CG2-CE1 3.63Å; T437-F442 HydrophobicContact CG2-CZ 3.82Å
438	Q	73.8	Confident	68.8	Low	120 Å²	120	78.2 Å²	78.2	56%	0.561	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-85.1	-10	175.3	-56.3	-60.5	-19	0	0	112.9	I431 D435 V436	I431-Q438 HydrophobicContact CG2-CB 3.53Å; I431-Q438 HydrophobicContact CG2-CG 4.48Å; D435-Q438 HydrophobicContact CB-CG 4.14Å; D435-Q438 PolarHBondContact O-N 3.38Å; V436-Q438 VanDerWaalsContact C-N 3.27Å; V436-Q438 PolarHBondContact O-N 2.85Å
439	M	77.9	Confident	71.7	Confident	17 Å²	17	78 Å²	78	8%	0.084	38%	0.383	C	S	.	.	S	Bend	trans	-68.5	133.9	176	-61.6	-175	71.3	0	0	110.8	I431 V436 C441 F442 L463 A515 I518	I431-M439 HydrophobicContact CD1-CB 4.37Å; I431-M439 HydrophobicContact CD1-CG 4.02Å; V436-M439 HydrophobicContact CG2-SD 4.01Å; V436-M439 WeakPolarHBondContact O-CB 3.49Å; V436-M439 PolarHBondContact O-N 2.9Å; M439-C441 PolarHBondContact O-N 3.16Å; M439-C441 VanDerWaalsContact O-N 3.08Å; M439-F442 VanDerWaalsContact O-CB 3.24Å; M439-F442 WeakPolarHBondContact O-CB 3.41Å; M439-F442 PolarHBondContact O-N 3.05Å; M439-L463 HydrophobicContact CB-CD1 4.19Å; M439-L463 HydrophobicContact CE-CD1 4.21Å; M439-L463 HydrophobicContact SD-CD1 3.7Å; M439-A515 HydrophobicContact CG-CB 4.43Å; M439-A515 HydrophobicContact SD-CB 3.79Å; M439-I518 HydrophobicContact CE-CB 4.25Å; M439-I518 HydrophobicContact CE-CG2 3.87Å; M439-I518 HydrophobicContact SD-CD1 4.2Å
440	E	81.1	Confident	74.5	Confident	96 Å²	96	76.1 Å²	76.1	45%	0.449	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-29.3	-179	-63.7	-142.4	149.8	0	0	114	F442 S538 N539 R540	E440-F442 PolarHBondContact O-N 2.93Å; E440-S538 PolarHBondContact OE2-OG 2.88Å; E440-S538 VanDerWaalsContact OE2-OG 3.12Å; E440-N539 WeakPolarHBondContact O-CB 3.34Å; E440-N539 PolarHBondContact O-N 3.46Å; E440-R540 IonicContact OE1-CZ 2.79Å; E440-R540 IonicContact OE1-NE 2.69Å; E440-R540 PolarHBondContact OE1-NE 2.97Å; E440-R540 IonicContact OE1-NH2 2.86Å; E440-R540 PolarHBondContact OE1-NH2 3.22Å; E440-R540 IonicContact OE2-NE 3.56Å
441	C	85.1	Confident	77.5	Confident	4 Å²	4	74.3 Å²	74.3	3%	0.027	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	9	175.9	56.2	0	0	0	0	114	M439 H443 L463 P536 V537	M439-C441 PolarHBondContact O-N 3.16Å; M439-C441 VanDerWaalsContact O-N 3.08Å; C441-H443 PolarHBondContact O-CD2 3.21Å; C441-H443 VanDerWaalsContact O-CD2 3.25Å; C441-H443 PolarHBondContact O-N 2.82Å; C441-L463 PolarHBondContact O-N 2.91Å; C441-P536 HydrophobicContact CB-CB 3.67Å; C441-V537 WeakPolarHBondContact CA-O 3.5Å
442	F	88.9	Confident	80.3	Confident	18 Å²	18	73.5 Å²	73.5	8%	0.079	36%	0.358	C	S	.	.	B	Isolated β-bridge	trans	-86.8	105.6	172.5	-170.8	-107.1	0	0	0	111.8	V436 T437 M439 E440 K444 L463 W465 T472 N539	V436-F442 WeakPolarHBondContact O-CB 3.42Å; T437-F442 HydrophobicContact CG2-CD1 4.2Å; T437-F442 HydrophobicContact CG2-CE1 3.63Å; T437-F442 HydrophobicContact CG2-CZ 3.82Å; M439-F442 VanDerWaalsContact O-CB 3.24Å; M439-F442 WeakPolarHBondContact O-CB 3.41Å; M439-F442 PolarHBondContact O-N 3.05Å; E440-F442 PolarHBondContact O-N 2.93Å; F442-K444 VanDerWaalsContact C-N 3.29Å; F442-K444 HydrophobicContact CD1-CG 3.93Å; F442-K444 HydrophobicContact CE1-CB 4.16Å; F442-K444 HydrophobicContact CE1-CG 3.79Å; F442-K444 PolarHBondContact O-N 3.19Å; F442-L463 WeakPolarHBondContact CA-O 3.43Å; F442-L463 HydrophobicContact CB-CB 4.43Å; F442-L463 HydrophobicContact CD2-CB 3.87Å; F442-W465 HydrophobicContact CZ-CB 4.25Å; F442-T472 HydrophobicContact CE2-CG2 4.34Å; F442-N539 PolarHBondContact O-ND2 3.29Å
443	H	91.1	Very high	82.9	Confident	16 Å²	16	68.2 Å²	68.2	7%	0.074	35%	0.35	C	S	.	.			trans	-86.9	10.4	-179.3	-68.6	-105.4	0	0	0	113.8	C441 N445 L446 K454 L463 V537 S538 N539	C441-H443 PolarHBondContact O-CD2 3.21Å; C441-H443 VanDerWaalsContact O-CD2 3.25Å; C441-H443 PolarHBondContact O-N 2.82Å; H443-N445 PolarHBondContact O-N 2.69Å; H443-L446 HydrophobicContact CB-CB 4.08Å; H443-L446 HydrophobicContact CB-CD2 3.76Å; H443-L446 HydrophobicContact CB-CG 4.39Å; H443-K454 PolarHBondContact CE1-NZ 2.83Å; H443-K454 PolarHBondContact ND1-NZ 2.81Å; H443-L463 PolarHBondContact N-O 2.88Å; H443-V537 PolarHBondContact NE2-O 2.66Å; H443-S538 PolarHBondContact CE1-O 3Å; H443-S538 VanDerWaalsContact NE2-C 3.25Å; H443-S538 PolarHBondContact NE2-O 2.9Å; H443-N539 WeakPolarHBondContact CE1-CA 3.45Å; H443-N539 PolarHBondContact ND1-OD1 2.89Å
444	K	88.5	Confident	85	Confident	137 Å²	137	63.2 Å²	63.2	60%	0.596	33%	0.325	S	S	*	.	S	Bend	trans	55.8	-131.7	-176.6	-53.2	175.2	-179.4	178	0	110.1	F442 L446 W465	F442-K444 VanDerWaalsContact C-N 3.29Å; F442-K444 HydrophobicContact CD1-CG 3.93Å; F442-K444 HydrophobicContact CE1-CB 4.16Å; F442-K444 HydrophobicContact CE1-CG 3.79Å; F442-K444 PolarHBondContact O-N 3.19Å; K444-L446 PolarHBondContact O-N 2.82Å; K444-W465 PolarHBondContact O-N 2.75Å
445	N	88.1	Confident	86.7	Confident	99 Å²	99	58.4 Å²	58.4	53%	0.529	30%	0.299	S	S	.	.	S	Bend	trans	-78.9	99.3	176.9	-62.8	-24.2	0	0	0	109.7	H443 W465 N467	H443-N445 PolarHBondContact O-N 2.69Å; N445-W465 VanDerWaalsContact OD1-CD1 3.23Å; N445-N467 PolarHBondContact ND2-ND2 3.4Å; N445-N467 VanDerWaalsContact ND2-ND2 3.18Å; N445-N467 PolarHBondContact OD1-ND2 2.78Å
446	L	90.3	Very high	87.7	Confident	20 Å²	20	60.6 Å²	60.6	11%	0.105	31%	0.311	C	S	.	.			trans	-123.2	132.8	174.4	-161.6	69.8	0	0	0	108.2	H443 K444 E450 A451 K454 L462 R464	H443-L446 HydrophobicContact CB-CB 4.08Å; H443-L446 HydrophobicContact CB-CD2 3.76Å; H443-L446 HydrophobicContact CB-CG 4.39Å; K444-L446 PolarHBondContact O-N 2.82Å; L446-E450 HydrophobicContact CD1-CB 3.68Å; L446-E450 HydrophobicContact CD1-CG 4.48Å; L446-E450 HydrophobicContact CG-CB 3.79Å; L446-A451 HydrophobicContact CD2-CB 3.87Å; L446-A451 HydrophobicContact CG-CB 4.4Å; L446-K454 HydrophobicContact CD2-CD 4.13Å; L446-L462 HydrophobicContact CD2-CD1 4.04Å; L446-L462 HydrophobicContact CD2-CD2 4.07Å; L446-R464 HydrophobicContact CB-CB 4.04Å
447	T	91.1	Very high	88.2	Confident	68 Å²	68	62.8 Å²	62.8	42%	0.417	32%	0.32	S	S	.	.			trans	-66.6	165.7	174	62	0	0	0	0	110.9	E449 E450 A451	T447-E449 VanDerWaalsContact C-N 3.3Å; T447-E449 PolarHBondContact O-N 2.83Å; T447-E450 WeakPolarHBondContact CB-OE2 3.36Å; T447-E450 WeakPolarHBondContact CG2-OE2 3.33Å; T447-E450 PolarHBondContact N-OE2 3.37Å; T447-E450 VanDerWaalsContact OG1-CB 3.25Å; T447-E450 WeakPolarHBondContact OG1-CB 3.22Å; T447-E450 WeakPolarHBondContact OG1-CG 3.38Å; T447-E450 PolarHBondContact OG1-N 3.05Å; T447-E450 PolarHBondContact OG1-OE2 3.23Å; T447-A451 VanDerWaalsContact O-CB 3.28Å; T447-A451 WeakPolarHBondContact O-CB 3.5Å; T447-A451 PolarHBondContact O-N 3.14Å
448	K	92.1	Very high	88.5	Confident	87 Å²	87	61.5 Å²	61.5	38%	0.378	31%	0.311	S	S	.	.	H	α-helix	trans	-65.3	-40.3	179.3	-174.6	176.1	-176.3	165.5	0	110.8	A451 Y452 D484	K448-A451 PolarHBondContact O-N 2.65Å; K448-Y452 HydrophobicContact CD-CE2 4.27Å; K448-Y452 VanDerWaalsContact CE-CE2 3.44Å; K448-Y452 WeakPolarHBondContact CE-OH 3.39Å; K448-Y452 HydrophobicContact CG-CD1 4.38Å; K448-Y452 HydrophobicContact CG-CD2 4.31Å; K448-Y452 HydrophobicContact CG-CE1 3.91Å; K448-Y452 HydrophobicContact CG-CE2 3.88Å; K448-Y452 WeakPolarHBondContact O-CB 3.47Å; K448-Y452 WeakPolarHBondContact O-CD1 3.13Å; K448-Y452 PolarHBondContact O-N 2.71Å; K448-D484 WeakPolarHBondContact CD-OD2 3.36Å; K448-D484 WeakPolarHBondContact CE-OD2 3.4Å; K448-D484 IonicContact NZ-OD2 3.29Å; K448-D484 PolarHBondContact NZ-OD2 2.96Å
449	E	92.1	Very high	88.9	Confident	140 Å²	140	55.8 Å²	55.8	65%	0.654	28%	0.284	S	S	*	.	H	α-helix	trans	-68.1	-45	-179.4	-62	66.2	-146.5	0	0	111.2	T447 A451 Y452 G453	T447-E449 VanDerWaalsContact C-N 3.3Å; T447-E449 PolarHBondContact O-N 2.83Å; E449-A451 VanDerWaalsContact C-N 3.35Å; E449-Y452 PolarHBondContact O-N 3.49Å; E449-G453 PolarHBondContact O-N 3.04Å
450	E	92.4	Very high	89.4	Confident	103 Å²	103	55.2 Å²	55.2	48%	0.481	28%	0.281	S	S	.	.	H	α-helix	trans	-65.9	-35.7	173.4	-71.8	165.4	142.3	0	0	112.6	L446 T447 K454	L446-E450 HydrophobicContact CD1-CB 3.68Å; L446-E450 HydrophobicContact CD1-CG 4.48Å; L446-E450 HydrophobicContact CG-CB 3.79Å; T447-E450 WeakPolarHBondContact CB-OE2 3.36Å; T447-E450 WeakPolarHBondContact CG2-OE2 3.33Å; T447-E450 PolarHBondContact N-OE2 3.37Å; T447-E450 VanDerWaalsContact OG1-CB 3.25Å; T447-E450 WeakPolarHBondContact OG1-CB 3.22Å; T447-E450 WeakPolarHBondContact OG1-CG 3.38Å; T447-E450 PolarHBondContact OG1-N 3.05Å; T447-E450 PolarHBondContact OG1-OE2 3.23Å; E450-K454 WeakPolarHBondContact O-CG 3.28Å
451	A	92.4	Very high	89.9	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-63.4	-49.5	174.5	0	0	0	0	0	110.7	L446 T447 K448 E449 G453 K454 L455 L462	L446-A451 HydrophobicContact CD2-CB 3.87Å; L446-A451 HydrophobicContact CG-CB 4.4Å; T447-A451 VanDerWaalsContact O-CB 3.28Å; T447-A451 WeakPolarHBondContact O-CB 3.5Å; T447-A451 PolarHBondContact O-N 3.14Å; K448-A451 PolarHBondContact O-N 2.65Å; E449-A451 VanDerWaalsContact C-N 3.35Å; A451-G453 VanDerWaalsContact C-N 3.3Å; A451-G453 PolarHBondContact O-N 3.35Å; A451-K454 PolarHBondContact O-N 3.42Å; A451-L455 WeakPolarHBondContact O-CG 3.39Å; A451-L455 PolarHBondContact O-N 2.81Å; A451-L462 HydrophobicContact CB-CD1 3.96Å; A451-L462 HydrophobicContact CB-CD2 4.27Å; A451-L462 HydrophobicContact CB-CG 4.49Å
452	Y	93.7	Very high	90.3	Very high	40 Å²	40	51 Å²	51	16%	0.157	26%	0.261	C	S	.	.	H	α-helix	trans	-63.8	-37	-178.2	-68	3.8	0	0	0	111.3	K448 E449 K454 L455 Y482	K448-Y452 HydrophobicContact CD-CE2 4.27Å; K448-Y452 VanDerWaalsContact CE-CE2 3.44Å; K448-Y452 WeakPolarHBondContact CE-OH 3.39Å; K448-Y452 HydrophobicContact CG-CD1 4.38Å; K448-Y452 HydrophobicContact CG-CD2 4.31Å; K448-Y452 HydrophobicContact CG-CE1 3.91Å; K448-Y452 HydrophobicContact CG-CE2 3.88Å; K448-Y452 WeakPolarHBondContact O-CB 3.47Å; K448-Y452 WeakPolarHBondContact O-CD1 3.13Å; K448-Y452 PolarHBondContact O-N 2.71Å; E449-Y452 PolarHBondContact O-N 3.49Å; Y452-K454 PolarHBondContact O-N 2.65Å; Y452-K454 VanDerWaalsContact O-N 3.08Å; Y452-L455 PolarHBondContact O-N 2.86Å; Y452-Y482 AromaticContact CD1-CD1 3.84Å; Y452-Y482 HydrophobicContact CD1-CD1 3.84Å; Y452-Y482 HydrophobicContact CD1-CG 4.09Å; Y452-Y482 HydrophobicContact CD2-CD1 4.05Å; Y452-Y482 HydrophobicContact CD2-CD2 4.03Å; Y452-Y482 AromaticContact CD2-CG 3.63Å; Y452-Y482 HydrophobicContact CD2-CG 3.63Å; Y452-Y482 HydrophobicContact CE1-CD1 4.46Å; Y452-Y482 HydrophobicContact CE1-CG 4.39Å; Y452-Y482 HydrophobicContact CE2-CD2 4.43Å; Y452-Y482 AromaticContact CE2-CG 3.92Å; Y452-Y482 HydrophobicContact CE2-CG 3.92Å; Y452-Y482 AromaticContact CG-CD1 3.59Å; Y452-Y482 HydrophobicContact CG-CD1 3.59Å; Y452-Y482 HydrophobicContact CG-CD2 4.37Å; Y452-Y482 HydrophobicContact CG-CE1 4.22Å; Y452-Y482 AromaticContact CG-CG 3.68Å; Y452-Y482 HydrophobicContact CG-CG 3.68Å; Y452-Y482 VanDerWaalsContact O-CE1 3.28Å; Y452-Y482 WeakPolarHBondContact O-CE1 3.47Å; Y452-Y482 PolarHBondContact OH-O 2.81Å; Y452-Y482 VanDerWaalsContact OH-O 3.1Å
453	G	91.5	Very high	90.5	Very high	60 Å²	60	50.1 Å²	50.1	62%	0.619	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-9.9	171.9	0	0	0	0	0	116.1	E449 A451	E449-G453 PolarHBondContact O-N 3.04Å; A451-G453 VanDerWaalsContact C-N 3.3Å; A451-G453 PolarHBondContact O-N 3.35Å
454	K	92.8	Very high	90.6	Very high	63 Å²	63	49.9 Å²	49.9	27%	0.274	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-16.4	175.1	-66.4	-174	-172.7	-169.5	0	114	H443 L446 E450 A451 Y452 N456 L462 V537	H443-K454 PolarHBondContact CE1-NZ 2.83Å; H443-K454 PolarHBondContact ND1-NZ 2.81Å; L446-K454 HydrophobicContact CD2-CD 4.13Å; E450-K454 WeakPolarHBondContact O-CG 3.28Å; A451-K454 PolarHBondContact O-N 3.42Å; Y452-K454 PolarHBondContact O-N 2.65Å; Y452-K454 VanDerWaalsContact O-N 3.08Å; K454-N456 VanDerWaalsContact C-ND2 3.3Å; K454-N456 PolarHBondContact O-ND2 3.01Å; K454-L462 HydrophobicContact CB-CD2 3.93Å; K454-L462 HydrophobicContact CD-CD2 4.26Å; K454-V537 HydrophobicContact CB-CG1 4.34Å
455	L	92.7	Very high	90.8	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.243	C	C	.	.			trans	-96.3	113.5	-176.3	-55.2	173.1	0	0	0	108.7	A451 Y452 D460 L462 S475 F477 Y482 V537	A451-L455 WeakPolarHBondContact O-CG 3.39Å; A451-L455 PolarHBondContact O-N 2.81Å; Y452-L455 PolarHBondContact O-N 2.86Å; L455-D460 HydrophobicContact CB-CB 4.19Å; L455-D460 HydrophobicContact CD2-CB 3.97Å; L455-L462 HydrophobicContact CD2-CB 4.21Å; L455-L462 HydrophobicContact CD2-CD2 3.85Å; L455-L462 HydrophobicContact CD2-CG 3.94Å; L455-L462 HydrophobicContact CG-CD2 4.2Å; L455-L462 HydrophobicContact CG-CG 4.48Å; L455-S475 WeakPolarHBondContact CD1-O 3.43Å; L455-F477 HydrophobicContact CB-CB 3.67Å; L455-Y482 HydrophobicContact CB-CD1 4.43Å; L455-Y482 HydrophobicContact CB-CE1 4.19Å; L455-Y482 HydrophobicContact CD1-CD1 4.45Å; L455-V537 HydrophobicContact CD2-CB 4.44Å; L455-V537 HydrophobicContact CD2-CG2 3.9Å
456	N	88.2	Confident	90.9	Very high	104 Å²	104	44.2 Å²	44.2	56%	0.556	23%	0.225	S	C	*	.			trans	-120.8	-17.5	-164.4	-74	-87.1	0	0	0	114.2	K454 D460	K454-N456 VanDerWaalsContact C-ND2 3.3Å; K454-N456 PolarHBondContact O-ND2 3.01Å; N456-D460 PolarHBondContact N-OD2 3.31Å
457	H	87.9	Confident	90.7	Very high	62 Å²	62	46.8 Å²	46.8	29%	0.287	24%	0.239	S	C	.	.	S	Bend	trans	-139.1	152.6	-172.7	-49.3	67.9	0	0	0	110.9	D248 G459 D460 F477 R535	D248-H457 VanDerWaalsContact OD2-CA 3.3Å; D248-H457 WeakPolarHBondContact OD2-CA 3.32Å; D248-H457 WeakPolarHBondContact OD2-CB 3.12Å; D248-H457 IonicContact OD2-CD2 3.52Å; D248-H457 IonicContact OD2-CG 2.68Å; H457-G459 PolarHBondContact O-N 3.03Å; H457-G459 VanDerWaalsContact O-N 3.16Å; H457-D460 IonicContact CG-OD2 3.99Å; H457-D460 PolarHBondContact N-OD2 3.03Å; H457-D460 IonicContact ND1-OD2 2.71Å; H457-D460 PolarHBondContact ND1-OD2 2.91Å; H457-D460 WeakPolarHBondContact O-CB 3.06Å; H457-D460 VanDerWaalsContact O-CG 3.3Å; H457-D460 PolarHBondContact O-N 2.79Å; H457-F477 WeakPolarHBondContact O-CD1 3.35Å; H457-R535 PolarHBondContact ND1-NH2 2.71Å
458	N	87.1	Confident	90.5	Very high	38 Å²	38	52.5 Å²	52.5	20%	0.203	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	119	-175.2	-74.8	-49.4	0	0	0	113.3	D248 W478 D479	D248-N458 PolarHBondContact OD1-ND2 2.79Å; D248-N458 PolarHBondContact OD2-N 3.23Å; N458-W478 WeakPolarHBondContact OD1-CA 3.45Å; N458-D479 PolarHBondContact OD1-N 2.79Å
459	G	81.9	Confident	90.3	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.1	5.6	-176.2	0	0	0	0	0	114.5	H457 Y461 F477 V532 R534 R535	H457-G459 PolarHBondContact O-N 3.03Å; H457-G459 VanDerWaalsContact O-N 3.16Å; G459-Y461 PolarHBondContact O-N 2.76Å; G459-F477 PolarHBondContact N-O 3.19Å; G459-V532 WeakPolarHBondContact CA-O 3.41Å; G459-R534 PolarHBondContact O-N 2.79Å; G459-R535 PolarHBondContact O-N 3Å
460	D	88.1	Confident	90	Very high	4 Å²	4	50.3 Å²	50.3	2%	0.021	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	126.5	162.1	-81.1	-15.4	0	0	0	109.1	L455 N456 H457 V476 F477 R535 V537	L455-D460 HydrophobicContact CB-CB 4.19Å; L455-D460 HydrophobicContact CD2-CB 3.97Å; N456-D460 PolarHBondContact N-OD2 3.31Å; H457-D460 IonicContact CG-OD2 3.99Å; H457-D460 PolarHBondContact N-OD2 3.03Å; H457-D460 IonicContact ND1-OD2 2.71Å; H457-D460 PolarHBondContact ND1-OD2 2.91Å; H457-D460 WeakPolarHBondContact O-CB 3.06Å; H457-D460 VanDerWaalsContact O-CG 3.3Å; H457-D460 PolarHBondContact O-N 2.79Å; D460-V476 VanDerWaalsContact O-CA 3.31Å; D460-V476 WeakPolarHBondContact O-CA 3.41Å; D460-V476 WeakPolarHBondContact O-CG2 3.24Å; D460-F477 PolarHBondContact O-N 2.6Å; D460-R535 WeakPolarHBondContact CA-O 3.22Å; D460-R535 VanDerWaalsContact CG-NH2 3.26Å; D460-R535 IonicContact OD1-CZ 3.28Å; D460-R535 IonicContact OD1-NE 3.03Å; D460-R535 PolarHBondContact OD1-NE 3.13Å; D460-R535 IonicContact OD1-NH2 3.84Å; D460-R535 PolarHBondContact OD1-NH2 3.12Å; D460-R535 IonicContact OD2-NH2 2.63Å; D460-R535 PolarHBondContact OD2-NH2 3.2Å; D460-V537 HydrophobicContact CB-CG2 3.95Å
461	Y	92.1	Very high	89.9	Confident	11 Å²	11	49.8 Å²	49.8	4%	0.043	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	153.3	174.2	74	-86.9	0	0	0	112.2	G459 L463 I474 S475 I518 V522 L533 R535 P536 V537	G459-Y461 PolarHBondContact O-N 2.76Å; Y461-L463 HydrophobicContact CD2-CD2 4.43Å; Y461-I474 HydrophobicContact CD2-CG2 4.22Å; Y461-S475 CarbonylContact C-O 3.57Å; Y461-S475 VanDerWaalsContact CA-O 3.23Å; Y461-S475 WeakPolarHBondContact CA-O 3.43Å; Y461-I518 HydrophobicContact CE2-CG2 3.87Å; Y461-V522 HydrophobicContact CE1-CG2 3.65Å; Y461-V522 WeakPolarHBondContact OH-CG2 3.44Å; Y461-L533 HydrophobicContact CD1-CB 3.89Å; Y461-L533 HydrophobicContact CD1-CD2 4.43Å; Y461-L533 HydrophobicContact CE1-CB 4.17Å; Y461-L533 HydrophobicContact CG-CB 4.29Å; Y461-L533 HydrophobicContact CG-CD2 4.05Å; Y461-R535 VanDerWaalsContact CD1-O 3.29Å; Y461-R535 WeakPolarHBondContact CD1-O 3.41Å; Y461-R535 PolarHBondContact N-O 2.8Å; Y461-P536 HydrophobicContact CE1-CB 4.23Å; Y461-P536 VanDerWaalsContact CE1-N 3.35Å; Y461-P536 HydrophobicContact CE2-CB 4.22Å; Y461-V537 PolarHBondContact O-N 2.98Å
462	L	93.4	Very high	89.8	Confident	0 Å²	0	51 Å²	51	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	159.2	170.6	70.3	79.5	0	0	0	111.2	L446 A451 K454 L455 R464 S475 V537	L446-L462 HydrophobicContact CD2-CD1 4.04Å; L446-L462 HydrophobicContact CD2-CD2 4.07Å; A451-L462 HydrophobicContact CB-CD1 3.96Å; A451-L462 HydrophobicContact CB-CD2 4.27Å; A451-L462 HydrophobicContact CB-CG 4.49Å; K454-L462 HydrophobicContact CB-CD2 3.93Å; K454-L462 HydrophobicContact CD-CD2 4.26Å; L455-L462 HydrophobicContact CD2-CB 4.21Å; L455-L462 HydrophobicContact CD2-CD2 3.85Å; L455-L462 HydrophobicContact CD2-CG 3.94Å; L455-L462 HydrophobicContact CG-CD2 4.2Å; L455-L462 HydrophobicContact CG-CG 4.48Å; L462-R464 HydrophobicContact CD1-CB 4.09Å; L462-R464 HydrophobicContact CD1-CG 4.46Å; L462-S475 PolarHBondContact N-O 2.97Å; L462-S475 PolarHBondContact O-N 3.43Å; L462-V537 HydrophobicContact CB-CB 4.39Å
463	L	93.5	Very high	89.7	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	127.3	-179.5	-47.9	176	0	0	0	108.5	V436 M439 C441 F442 H443 Y461 T472 V473 I474 I518	V436-L463 HydrophobicContact CG2-CD1 3.61Å; M439-L463 HydrophobicContact CB-CD1 4.19Å; M439-L463 HydrophobicContact CE-CD1 4.21Å; M439-L463 HydrophobicContact SD-CD1 3.7Å; C441-L463 PolarHBondContact O-N 2.91Å; F442-L463 WeakPolarHBondContact CA-O 3.43Å; F442-L463 HydrophobicContact CB-CB 4.43Å; F442-L463 HydrophobicContact CD2-CB 3.87Å; H443-L463 PolarHBondContact N-O 2.88Å; Y461-L463 HydrophobicContact CD2-CD2 4.43Å; L463-T472 HydrophobicContact CB-CG2 4.47Å; L463-V473 WeakPolarHBondContact CA-O 3.42Å; L463-I474 HydrophobicContact CD2-CB 4.15Å; L463-I474 HydrophobicContact CD2-CG1 3.74Å; L463-I474 HydrophobicContact CD2-CG2 3.97Å; L463-I518 HydrophobicContact CD1-CD1 3.65Å; L463-I518 HydrophobicContact CD2-CD1 3.54Å; L463-I518 HydrophobicContact CD2-CG1 4.49Å; L463-I518 HydrophobicContact CG-CD1 4.25Å
464	R	93.1	Very high	89.8	Confident	12 Å²	12	46.5 Å²	46.5	5%	0.045	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	148.3	178.3	65.1	-177.2	-176.5	80.7	-0.5	110.8	L446 L462 T472 V473 S475 D484	L446-R464 HydrophobicContact CB-CB 4.04Å; L462-R464 HydrophobicContact CD1-CB 4.09Å; L462-R464 HydrophobicContact CD1-CG 4.46Å; R464-T472 CarbonylContact O-C 3.58Å; R464-T472 WeakPolarHBondContact O-CA 3.32Å; R464-V473 HydrophobicContact CG-CB 4.02Å; R464-V473 PolarHBondContact N-O 3.34Å; R464-V473 PolarHBondContact O-N 2.81Å; R464-S475 WeakPolarHBondContact CD-OG 3.42Å; R464-S475 PolarHBondContact NE-OG 2.72Å; R464-D484 IonicContact CZ-OD1 3.64Å; R464-D484 IonicContact NE-OD1 2.7Å; R464-D484 IonicContact NH2-OD1 2.86Å; R464-D484 PolarHBondContact NH2-OD1 3.3Å; R464-D484 IonicContact NH2-OD2 2.94Å; R464-D484 PolarHBondContact NH2-OD2 2.92Å
465	W	92.1	Very high	89.9	Confident	86 Å²	86	43.5 Å²	43.5	33%	0.326	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	118.1	169.8	-177.2	-99.5	0	0	0	110	F442 K444 N445 N467 K470 R471	F442-W465 HydrophobicContact CZ-CB 4.25Å; K444-W465 PolarHBondContact O-N 2.75Å; N445-W465 VanDerWaalsContact OD1-CD1 3.23Å; W465-N467 PolarHBondContact NE1-OD1 3.32Å; W465-N467 PolarHBondContact O-N 3.48Å; W465-K470 VanDerWaalsContact CH2-C 3.48Å; W465-K470 WeakPolarHBondContact CH2-O 3.39Å; W465-K470 VanDerWaalsContact CZ2-C 3.45Å; W465-K470 HydrophobicContact CZ2-CB 4.27Å; W465-K470 HydrophobicContact CZ2-CD 4.44Å; W465-R471 VanDerWaalsContact CE3-C 3.49Å
466	D	90.1	Very high	89.9	Confident	30 Å²	30	43.5 Å²	43.5	16%	0.16	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	104.5	171.7	-174.5	-27	0	0	0	109.3	Q468 A469 K470 R471 V473	D466-Q468 VanDerWaalsContact C-N 3.26Å; D466-Q468 PolarHBondContact O-N 3.35Å; D466-Q468 PolarHBondContact OD1-N 2.99Å; D466-A469 HydrophobicContact CB-CB 4.23Å; D466-A469 PolarHBondContact OD1-N 3.11Å; D466-K470 VanDerWaalsContact O-CA 3.29Å; D466-K470 WeakPolarHBondContact O-CA 3.2Å; D466-K470 PolarHBondContact O-N 3.46Å; D466-R471 HydrophobicContact CB-CG 4.32Å; D466-R471 WeakPolarHBondContact CB-O 3.13Å; D466-R471 PolarHBondContact N-O 3.07Å; D466-R471 PolarHBondContact O-N 3.08Å; D466-V473 HydrophobicContact CB-CG2 3.72Å
467	N	86.3	Confident	90.1	Very high	74 Å²	74	39.8 Å²	39.8	40%	0.396	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-23.5	-179.1	-99.3	-36	0	0	0	114.5	N445 W465 K470	N445-N467 PolarHBondContact ND2-ND2 3.4Å; N445-N467 VanDerWaalsContact ND2-ND2 3.18Å; N445-N467 PolarHBondContact OD1-ND2 2.78Å; W465-N467 PolarHBondContact NE1-OD1 3.32Å; W465-N467 PolarHBondContact O-N 3.48Å; N467-K470 WeakPolarHBondContact O-CD 3.36Å; N467-K470 WeakPolarHBondContact O-CE 3.33Å; N467-K470 PolarHBondContact O-NZ 3.42Å
468	Q	87.1	Confident	90.2	Very high	188 Å²	188	39 Å²	39	88%	0.879	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-47.9	178.8	-64.3	-176.1	-3.8	0	0	110.2	D466 K470	D466-Q468 VanDerWaalsContact C-N 3.26Å; D466-Q468 PolarHBondContact O-N 3.35Å; D466-Q468 PolarHBondContact OD1-N 2.99Å; Q468-K470 VanDerWaalsContact C-N 3.35Å
469	A	87	Confident	90.2	Very high	45 Å²	45	42.4 Å²	42.4	37%	0.372	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-3	-180	0	0	0	0	0	114.4	D466 R471	D466-A469 HydrophobicContact CB-CB 4.23Å; D466-A469 PolarHBondContact OD1-N 3.11Å; A469-R471 HydrophobicContact CB-CG 3.95Å; A469-R471 PolarHBondContact O-N 3.27Å
470	K	87.6	Confident	90.5	Very high	137 Å²	137	44.8 Å²	44.8	60%	0.596	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.6	48.7	179.5	-60.8	-59.8	-175.7	-160.8	0	113.6	W465 D466 N467 Q468	W465-K470 VanDerWaalsContact CH2-C 3.48Å; W465-K470 WeakPolarHBondContact CH2-O 3.39Å; W465-K470 VanDerWaalsContact CZ2-C 3.45Å; W465-K470 HydrophobicContact CZ2-CB 4.27Å; W465-K470 HydrophobicContact CZ2-CD 4.44Å; D466-K470 VanDerWaalsContact O-CA 3.29Å; D466-K470 WeakPolarHBondContact O-CA 3.2Å; D466-K470 PolarHBondContact O-N 3.46Å; N467-K470 WeakPolarHBondContact O-CD 3.36Å; N467-K470 WeakPolarHBondContact O-CE 3.33Å; N467-K470 PolarHBondContact O-NZ 3.42Å; Q468-K470 VanDerWaalsContact C-N 3.35Å
471	R	88.9	Confident	90.7	Very high	92 Å²	92	50 Å²	50	35%	0.347	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	156.1	-176.8	67.2	-171	-179.6	-170.5	1.5	112.3	W465 D466 A469 V473	W465-R471 VanDerWaalsContact CE3-C 3.49Å; D466-R471 HydrophobicContact CB-CG 4.32Å; D466-R471 WeakPolarHBondContact CB-O 3.13Å; D466-R471 PolarHBondContact N-O 3.07Å; D466-R471 PolarHBondContact O-N 3.08Å; A469-R471 HydrophobicContact CB-CG 3.95Å; A469-R471 PolarHBondContact O-N 3.27Å; R471-V473 HydrophobicContact CG-CG2 4.19Å
472	T	90.2	Very high	90.8	Very high	26 Å²	26	54 Å²	54	16%	0.16	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	141	165	-54.1	0	0	0	0	110	V436 F442 L463 R464 L514	V436-T472 HydrophobicContact CG2-CG2 4.33Å; F442-T472 HydrophobicContact CE2-CG2 4.34Å; L463-T472 HydrophobicContact CB-CG2 4.47Å; R464-T472 CarbonylContact O-C 3.58Å; R464-T472 WeakPolarHBondContact O-CA 3.32Å; T472-L514 HydrophobicContact CG2-CD2 3.83Å
473	V	92.6	Very high	90.7	Very high	1 Å²	1	57 Å²	57	1%	0.006	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	135.5	177.9	-179.4	0	0	0	0	108.3	L463 R464 D466 R471 D484 I486	L463-V473 WeakPolarHBondContact CA-O 3.42Å; R464-V473 HydrophobicContact CG-CB 4.02Å; R464-V473 PolarHBondContact N-O 3.34Å; R464-V473 PolarHBondContact O-N 2.81Å; D466-V473 HydrophobicContact CB-CG2 3.72Å; R471-V473 HydrophobicContact CG-CG2 4.19Å; V473-D484 HydrophobicContact CG1-CB 3.7Å; V473-I486 HydrophobicContact CB-CD1 4.11Å; V473-I486 HydrophobicContact CG1-CD1 3.78Å; V473-I486 HydrophobicContact CG2-CD1 3.6Å
474	I	93.9	Very high	90.7	Very high	3 Å²	3	59.2 Å²	59.2	2%	0.015	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	106.5	170	-46.7	176.3	0	0	0	106.7	Y461 L463 I485 V487 I518 L533	Y461-I474 HydrophobicContact CD2-CG2 4.22Å; L463-I474 HydrophobicContact CD2-CB 4.15Å; L463-I474 HydrophobicContact CD2-CG1 3.74Å; L463-I474 HydrophobicContact CD2-CG2 3.97Å; I474-I485 HydrophobicContact CB-CB 4.23Å; I474-I485 PolarHBondContact N-O 3.45Å; I474-I485 VanDerWaalsContact N-O 3.12Å; I474-I485 PolarHBondContact O-N 3.46Å; I474-V487 HydrophobicContact CD1-CG2 3.65Å; I474-I518 HydrophobicContact CD1-CD1 4.24Å; I474-I518 HydrophobicContact CD1-CG1 3.88Å; I474-L533 HydrophobicContact CD1-CD1 4.15Å; I474-L533 HydrophobicContact CG2-CD1 4.06Å; I474-L533 HydrophobicContact CG2-CD2 3.73Å
475	S	94.5	Very high	90.6	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	127.8	172.3	-63.8	0	0	0	0	108.8	L455 Y461 L462 R464 Y483 D484	L455-S475 WeakPolarHBondContact CD1-O 3.43Å; Y461-S475 CarbonylContact C-O 3.57Å; Y461-S475 VanDerWaalsContact CA-O 3.23Å; Y461-S475 WeakPolarHBondContact CA-O 3.43Å; L462-S475 PolarHBondContact N-O 2.97Å; L462-S475 PolarHBondContact O-N 3.43Å; R464-S475 WeakPolarHBondContact CD-OG 3.42Å; R464-S475 PolarHBondContact NE-OG 2.72Å; S475-Y483 WeakPolarHBondContact CA-O 3.3Å; S475-D484 PolarHBondContact OG-OD1 3.32Å
476	V	93.1	Very high	90.5	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	144.5	-178.2	62.7	0	0	0	0	110.8	D460 Y482 Y483 I485 A531 L533	D460-V476 VanDerWaalsContact O-CA 3.31Å; D460-V476 WeakPolarHBondContact O-CA 3.41Å; D460-V476 WeakPolarHBondContact O-CG2 3.24Å; V476-Y482 WeakPolarHBondContact O-CA 3.33Å; V476-Y483 HydrophobicContact CG1-CD2 4.43Å; V476-Y483 PolarHBondContact N-O 2.82Å; V476-Y483 PolarHBondContact O-N 3.05Å; V476-I485 HydrophobicContact CB-CD1 4.49Å; V476-I485 HydrophobicContact CG1-CD1 3.57Å; V476-I485 HydrophobicContact CG1-CG1 4.25Å; V476-A531 HydrophobicContact CG1-CB 3.93Å; V476-L533 HydrophobicContact CB-CD2 3.97Å; V476-L533 HydrophobicContact CG1-CD2 4.44Å; V476-L533 HydrophobicContact CG2-CD2 3.98Å
477	F	91.9	Very high	90.4	Very high	27 Å²	27	57.4 Å²	57.4	12%	0.118	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	129.7	168.4	175.1	-98.7	0	0	0	110.4	L455 H457 G459 D460 H481 Y482	L455-F477 HydrophobicContact CB-CB 3.67Å; H457-F477 WeakPolarHBondContact O-CD1 3.35Å; G459-F477 PolarHBondContact N-O 3.19Å; D460-F477 PolarHBondContact O-N 2.6Å; F477-H481 WeakPolarHBondContact CA-O 3.36Å; F477-H481 WeakPolarHBondContact CD2-O 3.25Å; F477-Y482 HydrophobicContact CB-CD1 4.02Å; F477-Y482 HydrophobicContact CB-CE1 4.1Å; F477-Y482 AromaticContact CD2-CD1 3.72Å; F477-Y482 HydrophobicContact CD2-CD1 3.72Å; F477-Y482 HydrophobicContact CD2-CD2 4.21Å; F477-Y482 AromaticContact CD2-CE1 3.46Å; F477-Y482 HydrophobicContact CD2-CE1 3.46Å; F477-Y482 VanDerWaalsContact CD2-CE1 3.46Å; F477-Y482 AromaticContact CD2-CE2 3.98Å; F477-Y482 HydrophobicContact CD2-CE2 3.98Å; F477-Y482 HydrophobicContact CD2-CG 4.08Å; F477-Y482 AromaticContact CD2-CZ 3.6Å; F477-Y482 HydrophobicContact CE2-CE1 4.26Å; F477-Y482 HydrophobicContact CE2-CE2 4.14Å; F477-Y482 AromaticContact CE2-CZ 3.93Å; F477-Y482 HydrophobicContact CG-CD1 4.34Å; F477-Y482 HydrophobicContact CG-CE1 4.13Å
478	W	88.8	Confident	90.3	Very high	45 Å²	45	62.5 Å²	62.5	17%	0.17	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	131.5	-178	-168.4	-92	0	0	0	112.1	N458 G480 H481 Y483 E530 A531 V532	N458-W478 WeakPolarHBondContact OD1-CA 3.45Å; W478-G480 VanDerWaalsContact C-N 3.27Å; W478-G480 PolarHBondContact O-N 2.7Å; W478-H481 PolarHBondContact N-O 3.25Å; W478-H481 WeakPolarHBondContact O-CA 3.4Å; W478-H481 WeakPolarHBondContact O-CB 3.49Å; W478-H481 PolarHBondContact O-N 2.93Å; W478-H481 VanDerWaalsContact O-O 3.12Å; W478-Y483 HydrophobicContact CB-CD2 4.26Å; W478-Y483 HydrophobicContact CB-CE2 4.01Å; W478-E530 PolarHBondContact NE1-O 3.21Å; W478-A531 HydrophobicContact CB-CB 3.65Å; W478-A531 HydrophobicContact CD2-CB 4.37Å; W478-A531 HydrophobicContact CG-CB 3.82Å; W478-V532 HydrophobicContact CE3-CB 4.36Å; W478-V532 HydrophobicContact CH2-CB 3.62Å; W478-V532 HydrophobicContact CH2-CG2 3.86Å; W478-V532 HydrophobicContact CZ2-CB 4.29Å; W478-V532 HydrophobicContact CZ2-CG2 4.12Å; W478-V532 HydrophobicContact CZ3-CB 3.65Å; W478-V532 HydrophobicContact CZ3-CG2 4.37Å; W478-V532 WeakPolarHBondContact CZ3-O 3.49Å
479	D	89.1	Confident	90.2	Very high	109 Å²	109	56.3 Å²	56.3	58%	0.583	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.8	43.8	-178.7	-148.6	17.4	0	0	0	114.3	N458 H481	N458-D479 PolarHBondContact OD1-N 2.79Å; D479-H481 PolarHBondContact O-CD2 3.38Å; D479-H481 VanDerWaalsContact O-CD2 3.26Å; D479-H481 PolarHBondContact O-N 3.42Å
480	G	88	Confident	90	Very high	50 Å²	50	56.8 Å²	56.8	52%	0.515	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.4	-3.8	-178.2	0	0	0	0	0	115.1	W478	W478-G480 VanDerWaalsContact C-N 3.27Å; W478-G480 PolarHBondContact O-N 2.7Å
481	H	91.7	Very high	89.5	Confident	115 Å²	115	58.5 Å²	58.5	53%	0.532	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	155.5	-179.4	-64.3	-73.1	0	0	0	112.1	F477 W478 D479 Y483	F477-H481 WeakPolarHBondContact CA-O 3.36Å; F477-H481 WeakPolarHBondContact CD2-O 3.25Å; W478-H481 PolarHBondContact N-O 3.25Å; W478-H481 WeakPolarHBondContact O-CA 3.4Å; W478-H481 WeakPolarHBondContact O-CB 3.49Å; W478-H481 PolarHBondContact O-N 2.93Å; W478-H481 VanDerWaalsContact O-O 3.12Å; D479-H481 PolarHBondContact O-CD2 3.38Å; D479-H481 VanDerWaalsContact O-CD2 3.26Å; D479-H481 PolarHBondContact O-N 3.42Å; H481-Y483 HydrophobicContact CB-CD2 4.41Å; H481-Y483 HydrophobicContact CB-CE2 3.53Å
482	Y	93	Very high	89	Confident	95 Å²	95	59.7 Å²	59.7	37%	0.373	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	124.4	176.4	-59.3	-93.9	0	0	0	110.4	Y452 L455 V476 F477	Y452-Y482 AromaticContact CD1-CD1 3.84Å; Y452-Y482 HydrophobicContact CD1-CD1 3.84Å; Y452-Y482 HydrophobicContact CD1-CG 4.09Å; Y452-Y482 HydrophobicContact CD2-CD1 4.05Å; Y452-Y482 HydrophobicContact CD2-CD2 4.03Å; Y452-Y482 AromaticContact CD2-CG 3.63Å; Y452-Y482 HydrophobicContact CD2-CG 3.63Å; Y452-Y482 HydrophobicContact CE1-CD1 4.46Å; Y452-Y482 HydrophobicContact CE1-CG 4.39Å; Y452-Y482 HydrophobicContact CE2-CD2 4.43Å; Y452-Y482 AromaticContact CE2-CG 3.92Å; Y452-Y482 HydrophobicContact CE2-CG 3.92Å; Y452-Y482 AromaticContact CG-CD1 3.59Å; Y452-Y482 HydrophobicContact CG-CD1 3.59Å; Y452-Y482 HydrophobicContact CG-CD2 4.37Å; Y452-Y482 HydrophobicContact CG-CE1 4.22Å; Y452-Y482 AromaticContact CG-CG 3.68Å; Y452-Y482 HydrophobicContact CG-CG 3.68Å; Y452-Y482 VanDerWaalsContact O-CE1 3.28Å; Y452-Y482 WeakPolarHBondContact O-CE1 3.47Å; Y452-Y482 PolarHBondContact OH-O 2.81Å; Y452-Y482 VanDerWaalsContact OH-O 3.1Å; L455-Y482 HydrophobicContact CB-CD1 4.43Å; L455-Y482 HydrophobicContact CB-CE1 4.19Å; L455-Y482 HydrophobicContact CD1-CD1 4.45Å; V476-Y482 WeakPolarHBondContact O-CA 3.33Å; F477-Y482 HydrophobicContact CB-CD1 4.02Å; F477-Y482 HydrophobicContact CB-CE1 4.1Å; F477-Y482 AromaticContact CD2-CD1 3.72Å; F477-Y482 HydrophobicContact CD2-CD1 3.72Å; F477-Y482 HydrophobicContact CD2-CD2 4.21Å; F477-Y482 AromaticContact CD2-CE1 3.46Å; F477-Y482 HydrophobicContact CD2-CE1 3.46Å; F477-Y482 VanDerWaalsContact CD2-CE1 3.46Å; F477-Y482 AromaticContact CD2-CE2 3.98Å; F477-Y482 HydrophobicContact CD2-CE2 3.98Å; F477-Y482 HydrophobicContact CD2-CG 4.08Å; F477-Y482 AromaticContact CD2-CZ 3.6Å; F477-Y482 HydrophobicContact CE2-CE1 4.26Å; F477-Y482 HydrophobicContact CE2-CE2 4.14Å; F477-Y482 AromaticContact CE2-CZ 3.93Å; F477-Y482 HydrophobicContact CG-CD1 4.34Å; F477-Y482 HydrophobicContact CG-CE1 4.13Å
483	Y	92.6	Very high	88.2	Confident	61 Å²	61	59.2 Å²	59.2	24%	0.239	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	143.2	-177.5	-54.8	-94.8	0	0	0	110.7	S475 V476 W478 H481 A531	S475-Y483 WeakPolarHBondContact CA-O 3.3Å; V476-Y483 HydrophobicContact CG1-CD2 4.43Å; V476-Y483 PolarHBondContact N-O 2.82Å; V476-Y483 PolarHBondContact O-N 3.05Å; W478-Y483 HydrophobicContact CB-CD2 4.26Å; W478-Y483 HydrophobicContact CB-CE2 4.01Å; H481-Y483 HydrophobicContact CB-CD2 4.41Å; H481-Y483 HydrophobicContact CB-CE2 3.53Å; Y483-A531 HydrophobicContact CD2-CB 4.01Å; Y483-A531 HydrophobicContact CE2-CB 4.34Å; Y483-A531 HydrophobicContact CG-CB 4.48Å
484	D	93.4	Very high	87.2	Confident	47 Å²	47	66.7 Å²	66.7	25%	0.251	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	100.1	168.5	-78	-40.2	0	0	0	108.1	K448 R464 V473 S475	K448-D484 WeakPolarHBondContact CD-OD2 3.36Å; K448-D484 WeakPolarHBondContact CE-OD2 3.4Å; K448-D484 IonicContact NZ-OD2 3.29Å; K448-D484 PolarHBondContact NZ-OD2 2.96Å; R464-D484 IonicContact CZ-OD1 3.64Å; R464-D484 IonicContact NE-OD1 2.7Å; R464-D484 IonicContact NH2-OD1 2.86Å; R464-D484 PolarHBondContact NH2-OD1 3.3Å; R464-D484 IonicContact NH2-OD2 2.94Å; R464-D484 PolarHBondContact NH2-OD2 2.92Å; V473-D484 HydrophobicContact CG1-CB 3.7Å; S475-D484 PolarHBondContact OG-OD1 3.32Å
485	I	91.6	Very high	86.1	Confident	11 Å²	11	71.1 Å²	71.1	6%	0.056	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	125.8	179	-60.6	158.6	0	0	0	109	I474 V476 V487 F528 L533	I474-I485 HydrophobicContact CB-CB 4.23Å; I474-I485 PolarHBondContact N-O 3.45Å; I474-I485 VanDerWaalsContact N-O 3.12Å; I474-I485 PolarHBondContact O-N 3.46Å; V476-I485 HydrophobicContact CB-CD1 4.49Å; V476-I485 HydrophobicContact CG1-CD1 3.57Å; V476-I485 HydrophobicContact CG1-CG1 4.25Å; I485-V487 HydrophobicContact CG2-CG2 4.1Å; I485-F528 HydrophobicContact CD1-CB 3.53Å; I485-F528 HydrophobicContact CD1-CD2 3.95Å; I485-F528 HydrophobicContact CD1-CG 3.94Å; I485-F528 HydrophobicContact CG1-CB 3.9Å; I485-F528 HydrophobicContact CG2-CB 4.22Å; I485-F528 HydrophobicContact CG2-CD1 4.16Å; I485-F528 HydrophobicContact CG2-CG 4.14Å; I485-L533 HydrophobicContact CD1-CD2 3.98Å
486	I	90	Very high	85.6	Confident	52 Å²	52	71.1 Å²	71.1	27%	0.267	35%	0.35	S	S	.	.			trans	-111.1	93.2	178.5	-51.1	-57.7	0	0	0	109	V473 R488	V473-I486 HydrophobicContact CB-CD1 4.11Å; V473-I486 HydrophobicContact CG1-CD1 3.78Å; V473-I486 HydrophobicContact CG2-CD1 3.6Å; I486-R488 HydrophobicContact CG2-CG 4.21Å
487	V	86.4	Confident	85.4	Confident	28 Å²	28	73 Å²	73	17%	0.17	36%	0.357	C	S	.	.			trans	-79.3	124.7	171.6	-155.6	0	0	0	0	108.2	I474 I485 Y497 L514 F517	I474-V487 HydrophobicContact CD1-CG2 3.65Å; I485-V487 HydrophobicContact CG2-CG2 4.1Å; V487-Y497 HydrophobicContact CB-CD1 4.21Å; V487-Y497 HydrophobicContact CB-CE1 4.5Å; V487-Y497 HydrophobicContact CG1-CD1 3.71Å; V487-Y497 HydrophobicContact CG1-CE1 4.45Å; V487-L514 HydrophobicContact CB-CD1 4.06Å; V487-L514 HydrophobicContact CG2-CD1 4.18Å; V487-F517 HydrophobicContact CB-CD1 4.41Å; V487-F517 HydrophobicContact CB-CE1 4.17Å; V487-F517 HydrophobicContact CG1-CD1 3.88Å; V487-F517 HydrophobicContact CG1-CD2 4.31Å; V487-F517 HydrophobicContact CG1-CE1 3.56Å; V487-F517 HydrophobicContact CG1-CE2 4Å; V487-F517 HydrophobicContact CG1-CG 4.25Å; V487-F517 HydrophobicContact CG1-CZ 3.61Å; V487-F517 HydrophobicContact CG2-CD1 3.97Å; V487-F517 HydrophobicContact CG2-CE1 3.54Å; V487-F517 HydrophobicContact CG2-CZ 4.29Å
488	R	85.6	Confident	85.5	Confident	180 Å²	180	74 Å²	74	68%	0.679	37%	0.366	S	S	*	.			trans	-106.7	140.5	176.5	-61.5	-172.8	-169.5	179.6	5.1	110	I486	I486-R488 HydrophobicContact CG2-CG 4.21Å
489	P	84.6	Confident	85.6	Confident	58 Å²	58	72.4 Å²	72.4	38%	0.377	36%	0.361	S	S	.	.			trans	-63.1	150.9	164.6	30.5	-35	0	0	0	109.7	N495 G496 Y497	P489-N495 HydrophobicContact CB-CB 4.14Å; P489-N495 WeakPolarHBondContact CB-O 3.43Å; P489-G496 CarbonylContact C-O 3.6Å; P489-G496 WeakPolarHBondContact CA-O 3.4Å; P489-Y497 HydrophobicContact CB-CE1 4.35Å
490	N	82.5	Confident	85.6	Confident	56 Å²	56	69.7 Å²	69.7	30%	0.299	35%	0.35	S	S	.	.	B	Isolated β-bridge	trans	-98.7	117.2	173.6	-175.7	-1.9	0	0	0	109.8	T492 L493 N495 G496	N490-T492 PolarHBondContact ND2-OG1 3.4Å; N490-T492 PolarHBondContact O-N 2.79Å; N490-T492 PolarHBondContact OD1-N 2.85Å; N490-T492 VanDerWaalsContact OD1-N 3.16Å; N490-T492 PolarHBondContact OD1-OG1 2.88Å; N490-T492 VanDerWaalsContact OD1-OG1 3.04Å; N490-L493 HydrophobicContact CB-CB 4.19Å; N490-L493 HydrophobicContact CB-CD1 4.1Å; N490-L493 HydrophobicContact CB-CG 4.23Å; N490-L493 WeakPolarHBondContact ND2-CD1 3.47Å; N490-L493 CarbonylContact O-C 3.52Å; N490-L493 PolarHBondContact O-N 3.48Å; N490-N495 WeakPolarHBondContact O-CA 3.18Å; N490-N495 PolarHBondContact O-N 2.95Å; N490-N495 VanDerWaalsContact O-N 3.16Å; N490-G496 PolarHBondContact N-O 3.46Å
491	E	77.6	Confident	85.6	Confident	172 Å²	172	70.8 Å²	70.8	80%	0.804	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-58.5	-29.1	-178.6	-63.7	176.9	-171.2	0	0	112.6	L493	E491-L493 VanDerWaalsContact C-N 3.33Å
492	T	78.7	Confident	85.1	Confident	117 Å²	117	69.2 Å²	69.2	72%	0.718	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-81.9	-9.7	177.6	66.5	0	0	0	0	114	N490	N490-T492 PolarHBondContact ND2-OG1 3.4Å; N490-T492 PolarHBondContact O-N 2.79Å; N490-T492 PolarHBondContact OD1-N 2.85Å; N490-T492 VanDerWaalsContact OD1-N 3.16Å; N490-T492 PolarHBondContact OD1-OG1 2.88Å; N490-T492 VanDerWaalsContact OD1-OG1 3.04Å
493	L	73.6	Confident	84.5	Confident	17 Å²	17	67 Å²	67	9%	0.089	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-115.6	47	-179.6	-59.7	176.1	0	0	0	111	N490 E491 N495 G496 P498 T508 Y510	N490-L493 HydrophobicContact CB-CB 4.19Å; N490-L493 HydrophobicContact CB-CD1 4.1Å; N490-L493 HydrophobicContact CB-CG 4.23Å; N490-L493 WeakPolarHBondContact ND2-CD1 3.47Å; N490-L493 CarbonylContact O-C 3.52Å; N490-L493 PolarHBondContact O-N 3.48Å; E491-L493 VanDerWaalsContact C-N 3.33Å; L493-N495 PolarHBondContact O-N 2.75Å; L493-G496 WeakPolarHBondContact O-CA 3.14Å; L493-G496 PolarHBondContact O-N 2.74Å; L493-P498 HydrophobicContact CD1-CB 4.3Å; L493-T508 HydrophobicContact CD1-CG2 3.69Å; L493-Y510 HydrophobicContact CB-CD1 4.11Å; L493-Y510 HydrophobicContact CB-CD2 4.41Å; L493-Y510 HydrophobicContact CB-CE1 4.33Å; L493-Y510 HydrophobicContact CB-CG 4.14Å; L493-Y510 HydrophobicContact CD1-CD1 4.22Å; L493-Y510 HydrophobicContact CD1-CG 4.42Å; L493-Y510 HydrophobicContact CD2-CD1 4.15Å; L493-Y510 HydrophobicContact CD2-CE1 4.2Å; L493-Y510 HydrophobicContact CG-CD1 4.4Å
494	W	70.1	Confident	84.3	Confident	157 Å²	157	71.5 Å²	71.5	60%	0.595	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.1	29.1	179.4	-64.1	69.1	0	0	0	114.2	N158 G496	N158-W494 HydrophobicContact CB-CZ2 3.98Å; N158-W494 PolarHBondContact O-NE1 2.86Å; W494-G496 PolarHBondContact O-N 2.83Å
495	N	72.2	Confident	84.1	Confident	96 Å²	96	74.2 Å²	74.2	51%	0.513	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.7	24.3	-168.5	-58.4	-49.9	0	0	0	114.1	P489 N490 L493	P489-N495 HydrophobicContact CB-CB 4.14Å; P489-N495 WeakPolarHBondContact CB-O 3.43Å; N490-N495 WeakPolarHBondContact O-CA 3.18Å; N490-N495 PolarHBondContact O-N 2.95Å; N490-N495 VanDerWaalsContact O-N 3.16Å; L493-N495 PolarHBondContact O-N 2.75Å
496	G	83.3	Confident	84	Confident	0 Å²	0	74.2 Å²	74.2	0%	0	37%	0.372	C	S	.	.	B	Isolated β-bridge	trans	-75.5	158.1	171.3	0	0	0	0	0	112.7	P489 N490 L493 W494 V511	P489-G496 CarbonylContact C-O 3.6Å; P489-G496 WeakPolarHBondContact CA-O 3.4Å; N490-G496 PolarHBondContact N-O 3.46Å; L493-G496 WeakPolarHBondContact O-CA 3.14Å; L493-G496 PolarHBondContact O-N 2.74Å; W494-G496 PolarHBondContact O-N 2.83Å; G496-V511 CarbonylContact C-O 3.55Å; G496-V511 VanDerWaalsContact CA-O 3.25Å; G496-V511 WeakPolarHBondContact CA-O 3.19Å
497	Y	89.7	Confident	84.2	Confident	40 Å²	40	73.1 Å²	73.1	16%	0.157	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	115.6	176.8	-62.2	-92	0	0	0	108.9	V487 P489 Y510 V511 S513 L514 F517	V487-Y497 HydrophobicContact CB-CD1 4.21Å; V487-Y497 HydrophobicContact CB-CE1 4.5Å; V487-Y497 HydrophobicContact CG1-CD1 3.71Å; V487-Y497 HydrophobicContact CG1-CE1 4.45Å; P489-Y497 HydrophobicContact CB-CE1 4.35Å; Y497-Y510 VanDerWaalsContact O-CA 3.31Å; Y497-Y510 WeakPolarHBondContact O-CA 3.42Å; Y497-Y510 WeakPolarHBondContact O-CB 3.4Å; Y497-V511 PolarHBondContact N-O 3.14Å; Y497-V511 PolarHBondContact O-N 2.82Å; Y497-S513 VanDerWaalsContact CD2-C 3.45Å; Y497-L514 HydrophobicContact CD1-CD1 4.29Å; Y497-L514 HydrophobicContact CE1-CB 4.22Å; Y497-L514 HydrophobicContact CE1-CD1 3.99Å; Y497-L514 HydrophobicContact CE2-CB 4.01Å; Y497-L514 VanDerWaalsContact CE2-N 3.26Å; Y497-F517 HydrophobicContact CG-CB 4.35Å
498	P	92.2	Very high	84.5	Confident	47 Å²	47	74.4 Å²	74.4	31%	0.305	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	133.9	-177.9	27.8	-33.9	0	0	0	110.7	L493 T508 F517	L493-P498 HydrophobicContact CD1-CB 4.3Å; P498-T508 HydrophobicContact CB-CG2 4.44Å; P498-F517 WeakPolarHBondContact O-CE2 3.03Å
499	L	91.9	Very high	84.8	Confident	13 Å²	13	66.2 Å²	66.2	7%	0.068	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-80.2	151.2	174.3	-62.7	178.9	0	0	0	110.5	V97 P99 T174 E509 V511 F517 F526	V97-L499 HydrophobicContact CG1-CD1 4.46Å; P99-L499 HydrophobicContact CB-CB 4.02Å; P99-L499 HydrophobicContact CB-CD1 4.14Å; P99-L499 HydrophobicContact CG-CB 4.44Å; T174-L499 HydrophobicContact CG2-CD1 3.87Å; L499-E509 HydrophobicContact CB-CB 4.49Å; L499-E509 HydrophobicContact CD1-CB 4.33Å; L499-E509 PolarHBondContact N-O 3.25Å; L499-V511 HydrophobicContact CD1-CG1 4.06Å; L499-V511 HydrophobicContact CD2-CG1 3.98Å; L499-V511 HydrophobicContact CD2-CG2 4Å; L499-V511 HydrophobicContact CG-CG1 4.19Å; L499-F517 HydrophobicContact CD2-CD2 4.11Å; L499-F517 HydrophobicContact CD2-CE2 4.41Å; L499-F526 HydrophobicContact CD2-CE2 3.89Å; L499-F526 HydrophobicContact CD2-CZ 4.11Å
500	P	88.7	Confident	85.1	Confident	52 Å²	52	63.5 Å²	63.5	34%	0.338	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-63.8	144.9	172.9	-21.4	34.8	0	0	0	112.1	P99 F526	P99-P500 WeakPolarHBondContact CB-O 3.48Å; P500-F526 HydrophobicContact CG-CB 4.21Å; P500-F526 HydrophobicContact CG-CD1 3.93Å; P500-F526 HydrophobicContact CG-CD2 3.6Å; P500-F526 HydrophobicContact CG-CE1 4.18Å; P500-F526 HydrophobicContact CG-CE2 3.94Å; P500-F526 HydrophobicContact CG-CG 3.65Å; P500-F526 HydrophobicContact CG-CZ 4.23Å
501	K	88.4	Confident	85.4	Confident	72 Å²	72	60.8 Å²	60.8	31%	0.313	31%	0.313	S	S	.	.			trans	-114.1	149.9	170.4	58.1	-176.6	-170.7	167.2	0	109.9	D503 E504 E506	K501-D503 WeakPolarHBondContact CD-O 3.4Å; K501-E504 VanDerWaalsContact CE-CD 3.41Å; K501-E504 VanDerWaalsContact CE-OE1 3.25Å; K501-E504 WeakPolarHBondContact CE-OE1 3.37Å; K501-E504 WeakPolarHBondContact CE-OE2 3.33Å; K501-E504 PolarHBondContact NZ-O 3.32Å; K501-E504 IonicContact NZ-OE1 3.42Å; K501-E504 IonicContact NZ-OE2 2.79Å; K501-E504 PolarHBondContact NZ-OE2 3.31Å; K501-E506 WeakPolarHBondContact CA-OE2 3.13Å; K501-E506 HydrophobicContact CB-CB 4.02Å; K501-E506 WeakPolarHBondContact CB-OE2 3.18Å
502	A	80.4	Confident	85.6	Confident	82 Å²	82	57.1 Å²	57.1	68%	0.678	30%	0.298	S	S	*	.	S	Bend	trans	-88.4	-27.3	176.6	0	0	0	0	0	112.2	C101 E506	C101-A502 HydrophobicContact CB-CB 3.47Å; C101-A502 VanDerWaalsContact CB-CB 3.47Å; A502-E506 PolarHBondContact N-OE2 2.84Å
503	D	80.2	Confident	85.8	Confident	50 Å²	50	51.8 Å²	51.8	27%	0.267	27%	0.266	S	S	.	.	S	Bend	trans	-127.6	145.3	176.8	-165.7	-70.1	0	0	0	110.8	K501 R505 E506	K501-D503 WeakPolarHBondContact CD-O 3.4Å; D503-R505 PolarHBondContact O-N 3.2Å; D503-R505 VanDerWaalsContact OD1-CB 3.25Å; D503-R505 WeakPolarHBondContact OD1-CB 3.37Å; D503-R505 VanDerWaalsContact OD1-CG 3.32Å; D503-R505 WeakPolarHBondContact OD1-CG 3.17Å; D503-R505 IonicContact OD1-CZ 2.72Å; D503-R505 PolarHBondContact OD1-N 2.74Å; D503-R505 IonicContact OD1-NE 2.71Å; D503-R505 PolarHBondContact OD1-NE 3.03Å; D503-R505 IonicContact OD1-NH2 3.95Å; D503-R505 IonicContact OD2-CZ 3.1Å; D503-R505 IonicContact OD2-NE 3.12Å; D503-R505 PolarHBondContact OD2-NE 3.48Å; D503-R505 IonicContact OD2-NH2 3.92Å; D503-R505 PolarHBondContact OD2-NH2 2.95Å; D503-E506 HydrophobicContact CB-CG 4.16Å; D503-E506 PolarHBondContact N-OE2 2.77Å; D503-E506 WeakPolarHBondContact O-CB 3.34Å; D503-E506 PolarHBondContact O-N 3.33Å; D503-E506 VanDerWaalsContact O-N 3.13Å
504	E	88.4	Confident	86.4	Confident	155 Å²	155	51.8 Å²	51.8	72%	0.724	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-24.6	178.5	-78.9	-59.3	131.9	0	0	113.6	K501 E506	K501-E504 VanDerWaalsContact CE-CD 3.41Å; K501-E504 VanDerWaalsContact CE-OE1 3.25Å; K501-E504 WeakPolarHBondContact CE-OE1 3.37Å; K501-E504 WeakPolarHBondContact CE-OE2 3.33Å; K501-E504 PolarHBondContact NZ-O 3.32Å; K501-E504 IonicContact NZ-OE1 3.42Å; K501-E504 IonicContact NZ-OE2 2.79Å; K501-E504 PolarHBondContact NZ-OE2 3.31Å; E504-E506 VanDerWaalsContact C-N 3.33Å
505	R	89.4	Confident	87.2	Confident	103 Å²	103	44.3 Å²	44.3	39%	0.389	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-17.6	176.8	-63.1	169.2	-75.9	176.7	0.2	113.7	C109 L129 Y135 D503	C109-R505 PolarHBondContact SG-NH1 2.81Å; C109-R505 VanDerWaalsContact SG-NH1 3.45Å; L129-R505 HydrophobicContact CD1-CB 4.23Å; Y135-R505 HydrophobicContact CD2-CG 4.12Å; Y135-R505 HydrophobicContact CE2-CG 4.45Å; Y135-R505 HydrophobicContact CG-CB 4.31Å; Y135-R505 HydrophobicContact CG-CG 4.3Å; D503-R505 PolarHBondContact O-N 3.2Å; D503-R505 VanDerWaalsContact OD1-CB 3.25Å; D503-R505 WeakPolarHBondContact OD1-CB 3.37Å; D503-R505 VanDerWaalsContact OD1-CG 3.32Å; D503-R505 WeakPolarHBondContact OD1-CG 3.17Å; D503-R505 IonicContact OD1-CZ 2.72Å; D503-R505 PolarHBondContact OD1-N 2.74Å; D503-R505 IonicContact OD1-NE 2.71Å; D503-R505 PolarHBondContact OD1-NE 3.03Å; D503-R505 IonicContact OD1-NH2 3.95Å; D503-R505 IonicContact OD2-CZ 3.1Å; D503-R505 IonicContact OD2-NE 3.12Å; D503-R505 PolarHBondContact OD2-NE 3.48Å; D503-R505 IonicContact OD2-NH2 3.92Å; D503-R505 PolarHBondContact OD2-NH2 2.95Å
506	E	90.9	Very high	87.8	Confident	12 Å²	12	40.5 Å²	40.5	6%	0.056	22%	0.217	C	C	.	.	S	Bend	trans	-67.4	141	176.4	-70.2	172	167.6	0	0	110.7	L100 C101 Y106 L129 K501 A502 D503 E504	L100-E506 HydrophobicContact CD2-CG 4.38Å; C101-E506 WeakPolarHBondContact CB-OE2 3.1Å; Y106-E506 VanDerWaalsContact CE1-OE1 3.24Å; Y106-E506 WeakPolarHBondContact CE1-OE1 3.41Å; Y106-E506 WeakPolarHBondContact OH-CG 3.36Å; Y106-E506 PolarHBondContact OH-OE1 2.81Å; L129-E506 HydrophobicContact CD1-CG 3.86Å; K501-E506 WeakPolarHBondContact CA-OE2 3.13Å; K501-E506 HydrophobicContact CB-CB 4.02Å; K501-E506 WeakPolarHBondContact CB-OE2 3.18Å; A502-E506 PolarHBondContact N-OE2 2.84Å; D503-E506 HydrophobicContact CB-CG 4.16Å; D503-E506 PolarHBondContact N-OE2 2.77Å; D503-E506 WeakPolarHBondContact O-CB 3.34Å; D503-E506 PolarHBondContact O-N 3.33Å; D503-E506 VanDerWaalsContact O-N 3.13Å; E504-E506 VanDerWaalsContact C-N 3.33Å
507	P	92.6	Very high	88.1	Confident	29 Å²	29	40.7 Å²	40.7	19%	0.188	22%	0.218	C	C	.	.			trans	-67.6	145	-179	30.4	-36.8	0	0	0	111.1	V137 F161 I175 E509	V137-P507 HydrophobicContact CG2-CG 3.71Å; F161-P507 HydrophobicContact CE1-CB 3.76Å; F161-P507 HydrophobicContact CE1-CG 3.78Å; F161-P507 HydrophobicContact CZ-CB 3.91Å; F161-P507 HydrophobicContact CZ-CG 4.04Å; I175-P507 HydrophobicContact CD1-CG 3.86Å; P507-E509 PolarHBondContact O-N 2.64Å
508	T	92.6	Very high	88	Confident	54 Å²	54	38.8 Å²	38.8	33%	0.331	21%	0.21	S	C	.	.			trans	-70.9	102.2	178.1	-46.7	0	0	0	0	111.6	R155 L493 P498	R155-T508 PolarHBondContact NH2-O 2.85Å; L493-T508 HydrophobicContact CD1-CG2 3.69Å; P498-T508 HydrophobicContact CB-CG2 4.44Å
509	E	93.9	Very high	87.7	Confident	8 Å²	8	39.5 Å²	39.5	4%	0.037	21%	0.207	C	C	.	.			trans	-85.5	153.3	170.6	-68.6	-178.9	-79.4	0	0	112	P99 L100 F161 T174 I175 L499 P507	P99-E509 VanDerWaalsContact CA-OE1 3.3Å; P99-E509 WeakPolarHBondContact CA-OE1 3.35Å; L100-E509 WeakPolarHBondContact CB-OE1 3.29Å; L100-E509 PolarHBondContact N-OE1 2.97Å; F161-E509 HydrophobicContact CE2-CG 3.75Å; F161-E509 HydrophobicContact CZ-CG 3.76Å; T174-E509 VanDerWaalsContact CA-OE2 3.24Å; T174-E509 WeakPolarHBondContact CA-OE2 3.45Å; T174-E509 WeakPolarHBondContact CB-OE2 3.14Å; T174-E509 HydrophobicContact CG2-CB 4.13Å; I175-E509 PolarHBondContact N-OE2 3.47Å; L499-E509 HydrophobicContact CB-CB 4.49Å; L499-E509 HydrophobicContact CD1-CB 4.33Å; L499-E509 PolarHBondContact N-O 3.25Å; P507-E509 PolarHBondContact O-N 2.64Å
510	Y	90.8	Very high	87.4	Confident	1 Å²	1	38.9 Å²	38.9	0%	0.004	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	161.8	-179.8	64.6	-85.6	0	0	0	113	H160 T173 T174 L493 Y497 L512	H160-Y510 PolarHBondContact CD2-OH 3.08Å; T173-Y510 WeakPolarHBondContact CB-O 3.42Å; T173-Y510 HydrophobicContact CG2-CD2 4.06Å; T173-Y510 HydrophobicContact CG2-CE1 4.43Å; T173-Y510 HydrophobicContact CG2-CE2 3.46Å; T173-Y510 VanDerWaalsContact CG2-CE2 3.46Å; T173-Y510 PolarHBondContact O-N 2.83Å; T173-Y510 PolarHBondContact OG1-O 3.26Å; T174-Y510 VanDerWaalsContact CG2-O 3.32Å; T174-Y510 WeakPolarHBondContact CG2-O 3.42Å; L493-Y510 HydrophobicContact CB-CD1 4.11Å; L493-Y510 HydrophobicContact CB-CD2 4.41Å; L493-Y510 HydrophobicContact CB-CE1 4.33Å; L493-Y510 HydrophobicContact CB-CG 4.14Å; L493-Y510 HydrophobicContact CD1-CD1 4.22Å; L493-Y510 HydrophobicContact CD1-CG 4.42Å; L493-Y510 HydrophobicContact CD2-CD1 4.15Å; L493-Y510 HydrophobicContact CD2-CE1 4.2Å; L493-Y510 HydrophobicContact CG-CD1 4.4Å; Y497-Y510 VanDerWaalsContact O-CA 3.31Å; Y497-Y510 WeakPolarHBondContact O-CA 3.42Å; Y497-Y510 WeakPolarHBondContact O-CB 3.4Å; Y510-L512 HydrophobicContact CD2-CD2 4.28Å; Y510-L512 HydrophobicContact CE2-CD2 3.88Å
511	V	88.1	Confident	87.3	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	151.3	177.3	-70.2	0	0	0	0	110.2	V97 G496 Y497 L499 E516 F517	V97-V511 HydrophobicContact CB-CG1 4.34Å; G496-V511 CarbonylContact C-O 3.55Å; G496-V511 VanDerWaalsContact CA-O 3.25Å; G496-V511 WeakPolarHBondContact CA-O 3.19Å; Y497-V511 PolarHBondContact N-O 3.14Å; Y497-V511 PolarHBondContact O-N 2.82Å; L499-V511 HydrophobicContact CD1-CG1 4.06Å; L499-V511 HydrophobicContact CD2-CG1 3.98Å; L499-V511 HydrophobicContact CD2-CG2 4Å; L499-V511 HydrophobicContact CG-CG1 4.19Å; V511-E516 HydrophobicContact CB-CB 4.08Å; V511-E516 HydrophobicContact CB-CG 3.76Å; V511-E516 VanDerWaalsContact CB-OE2 3.28Å; V511-E516 WeakPolarHBondContact CB-OE2 3.36Å; V511-E516 HydrophobicContact CG1-CG 3.75Å; V511-E516 HydrophobicContact CG2-CB 4.48Å; V511-F517 HydrophobicContact CG2-CB 3.67Å; V511-F517 HydrophobicContact CG2-CD2 4.06Å; V511-F517 HydrophobicContact CG2-CG 4.39Å
512	L	81.8	Confident	87	Confident	94 Å²	94	34.8 Å²	34.8	49%	0.492	18%	0.184	S	C	.	.	S	Bend	trans	-87.5	-11.8	-167.1	-66.1	177.2	0	0	0	113.6	T173 Y510 E516	T173-L512 HydrophobicContact CG2-CD2 4.24Å; T173-L512 HydrophobicContact CG2-CG 4.29Å; Y510-L512 HydrophobicContact CD2-CD2 4.28Å; Y510-L512 HydrophobicContact CE2-CD2 3.88Å; L512-E516 PolarHBondContact N-OE2 2.81Å
513	S	83.5	Confident	86.8	Confident	6 Å²	6	34.4 Å²	34.4	4%	0.042	17%	0.173	C	C	.	.	S	Bend	trans	-136.9	155.8	179	74.9	0	0	0	0	113.4	N434 Y497 A515 E516 F517	N434-S513 WeakPolarHBondContact O-CB 3.4Å; N434-S513 WeakPolarHBondContact OD1-CB 3.5Å; N434-S513 PolarHBondContact OD1-OG 3.12Å; Y497-S513 VanDerWaalsContact CD2-C 3.45Å; S513-A515 PolarHBondContact O-N 3.47Å; S513-E516 PolarHBondContact O-N 3.14Å; S513-E516 VanDerWaalsContact OG-CB 3.32Å; S513-E516 WeakPolarHBondContact OG-CB 3.42Å; S513-E516 PolarHBondContact OG-N 3.44Å; S513-F517 PolarHBondContact O-N 3.14Å
514	L	86.5	Confident	86.6	Confident	16 Å²	16	32.5 Å²	32.5	8%	0.084	16%	0.164	C	C	.	.	H	α-helix	trans	-65.6	-31.2	173.9	-176.4	57	0	0	0	111.2	V436 T472 V487 Y497 F517 I518	V436-L514 HydrophobicContact CG2-CD2 4.13Å; V436-L514 HydrophobicContact CG2-CG 4.27Å; T472-L514 HydrophobicContact CG2-CD2 3.83Å; V487-L514 HydrophobicContact CB-CD1 4.06Å; V487-L514 HydrophobicContact CG2-CD1 4.18Å; Y497-L514 HydrophobicContact CD1-CD1 4.29Å; Y497-L514 HydrophobicContact CE1-CB 4.22Å; Y497-L514 HydrophobicContact CE1-CD1 3.99Å; Y497-L514 HydrophobicContact CE2-CB 4.01Å; Y497-L514 VanDerWaalsContact CE2-N 3.26Å; L514-F517 HydrophobicContact CD1-CD1 4.35Å; L514-F517 PolarHBondContact O-N 2.87Å; L514-I518 HydrophobicContact CD1-CD1 4.15Å; L514-I518 HydrophobicContact CD1-CG1 4.29Å; L514-I518 HydrophobicContact CG-CD1 3.85Å; L514-I518 HydrophobicContact CG-CG1 4.46Å; L514-I518 WeakPolarHBondContact O-CB 3.44Å; L514-I518 WeakPolarHBondContact O-CD1 3.21Å; L514-I518 WeakPolarHBondContact O-CG1 3.31Å; L514-I518 PolarHBondContact O-N 2.55Å
515	A	86.5	Confident	86	Confident	1 Å²	1	28.4 Å²	28.4	1%	0.008	15%	0.145	C	C	.	.	H	α-helix	trans	-65.4	-46.6	175	0	0	0	0	0	111.5	M439 S513 F517 I518 R519	M439-A515 HydrophobicContact CG-CB 4.43Å; M439-A515 HydrophobicContact SD-CB 3.79Å; S513-A515 PolarHBondContact O-N 3.47Å; A515-F517 VanDerWaalsContact C-N 3.34Å; A515-F517 PolarHBondContact O-N 3.39Å; A515-I518 PolarHBondContact O-N 3.49Å; A515-R519 WeakPolarHBondContact O-CG 3.41Å; A515-R519 PolarHBondContact O-N 3.24Å
516	E	84.3	Confident	85.8	Confident	15 Å²	15	23.8 Å²	23.8	7%	0.07	13%	0.127	C	C	.	.	H	α-helix	trans	-60.2	-44.4	173.5	-168.9	177.9	-155.6	0	0	110.8	V97 K177 V511 L512 S513 I518 R519 S520	V97-E516 HydrophobicContact CG2-CG 4.4Å; V97-E516 WeakPolarHBondContact CG2-OE1 3.06Å; K177-E516 WeakPolarHBondContact CE-OE1 3.15Å; K177-E516 IonicContact NZ-OE1 3.56Å; K177-E516 PolarHBondContact NZ-OE1 3.28Å; K177-E516 IonicContact NZ-OE2 3.7Å; V511-E516 HydrophobicContact CB-CB 4.08Å; V511-E516 HydrophobicContact CB-CG 3.76Å; V511-E516 VanDerWaalsContact CB-OE2 3.28Å; V511-E516 WeakPolarHBondContact CB-OE2 3.36Å; V511-E516 HydrophobicContact CG1-CG 3.75Å; V511-E516 HydrophobicContact CG2-CB 4.48Å; L512-E516 PolarHBondContact N-OE2 2.81Å; S513-E516 PolarHBondContact O-N 3.14Å; S513-E516 VanDerWaalsContact OG-CB 3.32Å; S513-E516 WeakPolarHBondContact OG-CB 3.42Å; S513-E516 PolarHBondContact OG-N 3.44Å; E516-I518 PolarHBondContact O-N 2.76Å; E516-R519 PolarHBondContact O-N 2.84Å; E516-S520 PolarHBondContact O-N 2.73Å; E516-S520 PolarHBondContact O-OG 2.92Å
517	F	89.6	Confident	85.4	Confident	4 Å²	4	30.4 Å²	30.4	2%	0.018	16%	0.158	C	C	.	.	H	α-helix	trans	-58.1	-45.3	175.2	-176.6	-89.4	0	0	0	113.4	V487 Y497 P498 L499 V511 S513 L514 A515 S520 A521 F526 F528	V487-F517 HydrophobicContact CB-CD1 4.41Å; V487-F517 HydrophobicContact CB-CE1 4.17Å; V487-F517 HydrophobicContact CG1-CD1 3.88Å; V487-F517 HydrophobicContact CG1-CD2 4.31Å; V487-F517 HydrophobicContact CG1-CE1 3.56Å; V487-F517 HydrophobicContact CG1-CE2 4Å; V487-F517 HydrophobicContact CG1-CG 4.25Å; V487-F517 HydrophobicContact CG1-CZ 3.61Å; V487-F517 HydrophobicContact CG2-CD1 3.97Å; V487-F517 HydrophobicContact CG2-CE1 3.54Å; V487-F517 HydrophobicContact CG2-CZ 4.29Å; Y497-F517 HydrophobicContact CG-CB 4.35Å; P498-F517 WeakPolarHBondContact O-CE2 3.03Å; L499-F517 HydrophobicContact CD2-CD2 4.11Å; L499-F517 HydrophobicContact CD2-CE2 4.41Å; V511-F517 HydrophobicContact CG2-CB 3.67Å; V511-F517 HydrophobicContact CG2-CD2 4.06Å; V511-F517 HydrophobicContact CG2-CG 4.39Å; S513-F517 PolarHBondContact O-N 3.14Å; L514-F517 HydrophobicContact CD1-CD1 4.35Å; L514-F517 PolarHBondContact O-N 2.87Å; A515-F517 VanDerWaalsContact C-N 3.34Å; A515-F517 PolarHBondContact O-N 3.39Å; F517-S520 PolarHBondContact O-N 3.33Å; F517-A521 HydrophobicContact CE1-CB 4.37Å; F517-A521 VanDerWaalsContact O-CB 3.26Å; F517-A521 WeakPolarHBondContact O-CB 3.41Å; F517-A521 PolarHBondContact O-N 3.21Å; F517-F526 HydrophobicContact CZ-CD2 4.44Å; F517-F528 HydrophobicContact CE1-CE1 4Å; F517-F528 AromaticContact CE1-CZ 3.65Å; F517-F528 HydrophobicContact CE1-CZ 3.65Å; F517-F528 AromaticContact CZ-CE1 3.72Å; F517-F528 HydrophobicContact CZ-CE1 3.72Å; F517-F528 AromaticContact CZ-CZ 3.66Å; F517-F528 HydrophobicContact CZ-CZ 3.66Å
518	I	88.3	Confident	84.9	Confident	1 Å²	1	30.4 Å²	30.4	1%	0.005	16%	0.155	C	C	.	.	H	α-helix	trans	-66.6	-40.6	179.5	-68.8	158.6	0	0	0	110.7	V436 M439 Y461 L463 I474 L514 A515 E516 A521 V522	V436-I518 HydrophobicContact CG2-CD1 4.23Å; M439-I518 HydrophobicContact CE-CB 4.25Å; M439-I518 HydrophobicContact CE-CG2 3.87Å; M439-I518 HydrophobicContact SD-CD1 4.2Å; Y461-I518 HydrophobicContact CE2-CG2 3.87Å; L463-I518 HydrophobicContact CD1-CD1 3.65Å; L463-I518 HydrophobicContact CD2-CD1 3.54Å; L463-I518 HydrophobicContact CD2-CG1 4.49Å; L463-I518 HydrophobicContact CG-CD1 4.25Å; I474-I518 HydrophobicContact CD1-CD1 4.24Å; I474-I518 HydrophobicContact CD1-CG1 3.88Å; L514-I518 HydrophobicContact CD1-CD1 4.15Å; L514-I518 HydrophobicContact CD1-CG1 4.29Å; L514-I518 HydrophobicContact CG-CD1 3.85Å; L514-I518 HydrophobicContact CG-CG1 4.46Å; L514-I518 WeakPolarHBondContact O-CB 3.44Å; L514-I518 WeakPolarHBondContact O-CD1 3.21Å; L514-I518 WeakPolarHBondContact O-CG1 3.31Å; L514-I518 PolarHBondContact O-N 2.55Å; A515-I518 PolarHBondContact O-N 3.49Å; E516-I518 PolarHBondContact O-N 2.76Å; I518-A521 PolarHBondContact O-N 2.7Å; I518-V522 HydrophobicContact CG2-CG2 4.43Å; I518-V522 VanDerWaalsContact O-CG2 3.32Å; I518-V522 WeakPolarHBondContact O-CG2 3.33Å; I518-V522 PolarHBondContact O-N 2.68Å
519	R	85.1	Confident	83.9	Confident	61 Å²	61	35.4 Å²	35.4	23%	0.23	17%	0.174	C	C	.	.	H	α-helix	trans	-58	-51.9	173.4	-69.5	173.7	-168.5	141.3	-0.2	110.5	A96 A515 E516 A521 V522 T523	A96-R519 HydrophobicContact CB-CB 3.89Å; A515-R519 WeakPolarHBondContact O-CG 3.41Å; A515-R519 PolarHBondContact O-N 3.24Å; E516-R519 PolarHBondContact O-N 2.84Å; R519-A521 VanDerWaalsContact C-N 3.32Å; R519-A521 PolarHBondContact O-N 3.21Å; R519-V522 PolarHBondContact O-N 2.89Å; R519-T523 WeakPolarHBondContact O-CB 3.34Å; R519-T523 PolarHBondContact O-N 3.29Å; R519-T523 PolarHBondContact O-OG1 2.93Å
520	S	86.2	Confident	83	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-55.6	-45.6	174.6	-66.2	0	0	0	0	112.3	V97 E516 F517 V522 T523 C524	V97-S520 PolarHBondContact N-OG 2.84Å; V97-S520 WeakPolarHBondContact O-CB 3.08Å; V97-S520 PolarHBondContact O-OG 2.68Å; E516-S520 PolarHBondContact O-N 2.73Å; E516-S520 PolarHBondContact O-OG 2.92Å; F517-S520 PolarHBondContact O-N 3.33Å; S520-V522 VanDerWaalsContact C-N 3.34Å; S520-V522 PolarHBondContact O-N 2.99Å; S520-T523 PolarHBondContact O-N 2.84Å; S520-C524 VanDerWaalsContact O-CB 3.27Å; S520-C524 WeakPolarHBondContact O-CB 3.29Å; S520-C524 PolarHBondContact O-N 3.02Å
521	A	85.8	Confident	82.7	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-62.9	-37.5	-178.5	0	0	0	0	0	114	F517 I518 R519 E525 F526 F528 L533	F517-A521 HydrophobicContact CE1-CB 4.37Å; F517-A521 VanDerWaalsContact O-CB 3.26Å; F517-A521 WeakPolarHBondContact O-CB 3.41Å; F517-A521 PolarHBondContact O-N 3.21Å; I518-A521 PolarHBondContact O-N 2.7Å; R519-A521 VanDerWaalsContact C-N 3.32Å; R519-A521 PolarHBondContact O-N 3.21Å; A521-E525 WeakPolarHBondContact O-CA 3.09Å; A521-E525 PolarHBondContact O-N 3.21Å; A521-F526 HydrophobicContact CB-CB 4.2Å; A521-F526 HydrophobicContact CB-CD2 3.57Å; A521-F526 HydrophobicContact CB-CE2 4.2Å; A521-F526 HydrophobicContact CB-CG 4.15Å; A521-F526 PolarHBondContact O-N 2.8Å; A521-F528 HydrophobicContact CB-CE2 3.9Å; A521-F528 HydrophobicContact CB-CZ 3.93Å; A521-L533 HydrophobicContact CB-CD1 4.06Å
522	V	82.2	Confident	82.6	Confident	38 Å²	38	42.5 Å²	42.5	23%	0.23	21%	0.208	C	C	.	.	H	α-helix	trans	-75.3	-46.1	176	174.1	0	0	0	0	110.9	Y461 I518 R519 S520 C524 L533	Y461-V522 HydrophobicContact CE1-CG2 3.65Å; Y461-V522 WeakPolarHBondContact OH-CG2 3.44Å; I518-V522 HydrophobicContact CG2-CG2 4.43Å; I518-V522 VanDerWaalsContact O-CG2 3.32Å; I518-V522 WeakPolarHBondContact O-CG2 3.33Å; I518-V522 PolarHBondContact O-N 2.68Å; R519-V522 PolarHBondContact O-N 2.89Å; S520-V522 VanDerWaalsContact C-N 3.34Å; S520-V522 PolarHBondContact O-N 2.99Å; V522-C524 PolarHBondContact O-N 2.86Å; V522-L533 HydrophobicContact CG2-CB 3.79Å
523	T	75.3	Confident	82.6	Confident	75 Å²	75	38 Å²	38	46%	0.46	19%	0.185	S	C	.	.	H	α-helix	trans	-69.3	-30.2	-177.6	-63.8	0	0	0	0	113.6	A96 R519 S520	A96-T523 HydrophobicContact CB-CG2 3.92Å; A96-T523 WeakPolarHBondContact CB-OG1 3.36Å; R519-T523 WeakPolarHBondContact O-CB 3.34Å; R519-T523 PolarHBondContact O-N 3.29Å; R519-T523 PolarHBondContact O-OG1 2.93Å; S520-T523 PolarHBondContact O-N 2.84Å
524	C	76.5	Confident	82.3	Confident	10 Å²	10	40.2 Å²	40.2	7%	0.068	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.9	3.4	-179.3	-65.5	0	0	0	0	114.2	K102 S520 V522 F526	K102-C524 HydrophobicContact CB-CB 4.25Å; K102-C524 HydrophobicContact CD-CB 4.17Å; K102-C524 WeakPolarHBondContact CE-O 3.42Å; K102-C524 HydrophobicContact CG-CB 3.97Å; K102-C524 PolarHBondContact NZ-O 2.84Å; S520-C524 VanDerWaalsContact O-CB 3.27Å; S520-C524 WeakPolarHBondContact O-CB 3.29Å; S520-C524 PolarHBondContact O-N 3.02Å; V522-C524 PolarHBondContact O-N 2.86Å; C524-F526 HydrophobicContact CB-CD1 3.75Å; C524-F526 HydrophobicContact CB-CE1 3.29Å; C524-F526 HydrophobicContact CB-CZ 4.03Å
525	E	77.2	Confident	81.9	Confident	69 Å²	69	44.3 Å²	44.3	32%	0.322	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.2	61.4	-175.5	-65.5	-154.4	125.8	0	0	112.8	A521 V532 R534	A521-E525 WeakPolarHBondContact O-CA 3.09Å; A521-E525 PolarHBondContact O-N 3.21Å; E525-V532 HydrophobicContact CB-CG1 3.7Å; E525-V532 HydrophobicContact CG-CG1 4Å; E525-R534 IonicContact OE1-CZ 3.86Å; E525-R534 IonicContact OE1-NE 2.64Å; E525-R534 PolarHBondContact OE1-NE 2.92Å; E525-R534 IonicContact OE1-NH2 2.76Å; E525-R534 PolarHBondContact OE1-NH2 3.02Å; E525-R534 IonicContact OE2-NH2 2.71Å; E525-R534 PolarHBondContact OE2-NH2 2.68Å
526	F	84.1	Confident	81.9	Confident	5 Å²	5	47.3 Å²	47.3	2%	0.022	23%	0.226	C	C	.	.			trans	-67.7	133	174.4	-63.7	-13.6	0	0	0	110.4	P99 L499 P500 F517 A521 C524 F528	P99-F526 HydrophobicContact CG-CE1 3.85Å; P99-F526 HydrophobicContact CG-CZ 3.92Å; L499-F526 HydrophobicContact CD2-CE2 3.89Å; L499-F526 HydrophobicContact CD2-CZ 4.11Å; P500-F526 HydrophobicContact CG-CB 4.21Å; P500-F526 HydrophobicContact CG-CD1 3.93Å; P500-F526 HydrophobicContact CG-CD2 3.6Å; P500-F526 HydrophobicContact CG-CE1 4.18Å; P500-F526 HydrophobicContact CG-CE2 3.94Å; P500-F526 HydrophobicContact CG-CG 3.65Å; P500-F526 HydrophobicContact CG-CZ 4.23Å; F517-F526 HydrophobicContact CZ-CD2 4.44Å; A521-F526 HydrophobicContact CB-CB 4.2Å; A521-F526 HydrophobicContact CB-CD2 3.57Å; A521-F526 HydrophobicContact CB-CE2 4.2Å; A521-F526 HydrophobicContact CB-CG 4.15Å; A521-F526 PolarHBondContact O-N 2.8Å; C524-F526 HydrophobicContact CB-CD1 3.75Å; C524-F526 HydrophobicContact CB-CE1 3.29Å; C524-F526 HydrophobicContact CB-CZ 4.03Å; F526-F528 HydrophobicContact CB-CD2 4.43Å; F526-F528 HydrophobicContact CB-CE1 4.39Å; F526-F528 HydrophobicContact CB-CE2 3.63Å; F526-F528 HydrophobicContact CB-CZ 3.61Å; F526-F528 AromaticContact CD2-CZ 4Å; F526-F528 HydrophobicContact CD2-CZ 4Å; F526-F528 HydrophobicContact CG-CZ 4.34Å; F526-F528 WeakPolarHBondContact O-CD2 3.4Å
527	Q	83.1	Confident	82.1	Confident	151 Å²	151	48 Å²	48	71%	0.706	23%	0.231	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-90.6	124.2	175.3	-68.6	179	3.2	0	0	110.4	V532	Q527-V532 HydrophobicContact CG-CG2 3.73Å
528	F	80.8	Confident	81.8	Confident	30 Å²	30	49.6 Å²	49.6	13%	0.132	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	102.1	177.8	-57.5	-77.7	0	0	0	109.3	I485 F517 A521 F526 E530 A531 L533	I485-F528 HydrophobicContact CD1-CB 3.53Å; I485-F528 HydrophobicContact CD1-CD2 3.95Å; I485-F528 HydrophobicContact CD1-CG 3.94Å; I485-F528 HydrophobicContact CG1-CB 3.9Å; I485-F528 HydrophobicContact CG2-CB 4.22Å; I485-F528 HydrophobicContact CG2-CD1 4.16Å; I485-F528 HydrophobicContact CG2-CG 4.14Å; F517-F528 HydrophobicContact CE1-CE1 4Å; F517-F528 AromaticContact CE1-CZ 3.65Å; F517-F528 HydrophobicContact CE1-CZ 3.65Å; F517-F528 AromaticContact CZ-CE1 3.72Å; F517-F528 HydrophobicContact CZ-CE1 3.72Å; F517-F528 AromaticContact CZ-CZ 3.66Å; F517-F528 HydrophobicContact CZ-CZ 3.66Å; A521-F528 HydrophobicContact CB-CE2 3.9Å; A521-F528 HydrophobicContact CB-CZ 3.93Å; F526-F528 HydrophobicContact CB-CD2 4.43Å; F526-F528 HydrophobicContact CB-CE1 4.39Å; F526-F528 HydrophobicContact CB-CE2 3.63Å; F526-F528 HydrophobicContact CB-CZ 3.61Å; F526-F528 AromaticContact CD2-CZ 4Å; F526-F528 HydrophobicContact CD2-CZ 4Å; F526-F528 HydrophobicContact CG-CZ 4.34Å; F526-F528 WeakPolarHBondContact O-CD2 3.4Å; F528-E530 VanDerWaalsContact C-N 3.29Å; F528-E530 PolarHBondContact O-N 2.92Å; F528-A531 PolarHBondContact N-O 3.47Å; F528-A531 WeakPolarHBondContact O-CB 3.43Å; F528-A531 PolarHBondContact O-N 3.29Å; F528-A531 VanDerWaalsContact O-N 3.08Å; F528-L533 HydrophobicContact CD2-CG 4.3Å; F528-L533 HydrophobicContact CE2-CD1 4.1Å; F528-L533 HydrophobicContact CE2-CG 4.13Å
529	H	71.7	Confident	81.4	Confident	158 Å²	158	52.1 Å²	52.1	73%	0.731	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.1	53.4	-172.1	-56.4	-68.5	0	0	0	111.4	A531	H529-A531 PolarHBondContact O-N 3.36Å
530	E	76	Confident	80.7	Confident	153 Å²	153	58.3 Å²	58.3	72%	0.715	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	70	-18.6	-176.9	-51.4	175.4	173.3	0	0	115.7	W478 F528	W478-E530 PolarHBondContact NE1-O 3.21Å; F528-E530 VanDerWaalsContact C-N 3.29Å; F528-E530 PolarHBondContact O-N 2.92Å
531	A	85.2	Confident	78.9	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	141.1	177.7	0	0	0	0	0	113.3	V476 W478 Y483 F528 H529	V476-A531 HydrophobicContact CG1-CB 3.93Å; W478-A531 HydrophobicContact CB-CB 3.65Å; W478-A531 HydrophobicContact CD2-CB 4.37Å; W478-A531 HydrophobicContact CG-CB 3.82Å; Y483-A531 HydrophobicContact CD2-CB 4.01Å; Y483-A531 HydrophobicContact CE2-CB 4.34Å; Y483-A531 HydrophobicContact CG-CB 4.48Å; F528-A531 PolarHBondContact N-O 3.47Å; F528-A531 WeakPolarHBondContact O-CB 3.43Å; F528-A531 PolarHBondContact O-N 3.29Å; F528-A531 VanDerWaalsContact O-N 3.08Å; H529-A531 PolarHBondContact O-N 3.36Å
532	V	84.4	Confident	76.4	Confident	6 Å²	6	70.5 Å²	70.5	4%	0.036	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	134	175.1	-178.6	0	0	0	0	110.3	G459 W478 E525 Q527 R534	G459-V532 WeakPolarHBondContact CA-O 3.41Å; W478-V532 HydrophobicContact CE3-CB 4.36Å; W478-V532 HydrophobicContact CH2-CB 3.62Å; W478-V532 HydrophobicContact CH2-CG2 3.86Å; W478-V532 HydrophobicContact CZ2-CB 4.29Å; W478-V532 HydrophobicContact CZ2-CG2 4.12Å; W478-V532 HydrophobicContact CZ3-CB 3.65Å; W478-V532 HydrophobicContact CZ3-CG2 4.37Å; W478-V532 WeakPolarHBondContact CZ3-O 3.49Å; E525-V532 HydrophobicContact CB-CG1 3.7Å; E525-V532 HydrophobicContact CG-CG1 4Å; Q527-V532 HydrophobicContact CG-CG2 3.73Å; V532-R534 HydrophobicContact CG1-CG 4.12Å; V532-R534 PolarHBondContact O-N 3.08Å
533	L	82.6	Confident	73.9	Confident	0 Å²	0	77.1 Å²	77.1	0%	0	38%	0.383	C	S	.	.			trans	-76.8	121.2	174.2	-53.1	-176.8	0	0	0	109.5	Y461 I474 V476 I485 A521 V522 F528	Y461-L533 HydrophobicContact CD1-CB 3.89Å; Y461-L533 HydrophobicContact CD1-CD2 4.43Å; Y461-L533 HydrophobicContact CE1-CB 4.17Å; Y461-L533 HydrophobicContact CG-CB 4.29Å; Y461-L533 HydrophobicContact CG-CD2 4.05Å; I474-L533 HydrophobicContact CD1-CD1 4.15Å; I474-L533 HydrophobicContact CG2-CD1 4.06Å; I474-L533 HydrophobicContact CG2-CD2 3.73Å; V476-L533 HydrophobicContact CB-CD2 3.97Å; V476-L533 HydrophobicContact CG1-CD2 4.44Å; V476-L533 HydrophobicContact CG2-CD2 3.98Å; I485-L533 HydrophobicContact CD1-CD2 3.98Å; A521-L533 HydrophobicContact CB-CD1 4.06Å; V522-L533 HydrophobicContact CG2-CB 3.79Å; F528-L533 HydrophobicContact CD2-CG 4.3Å; F528-L533 HydrophobicContact CE2-CD1 4.1Å; F528-L533 HydrophobicContact CE2-CG 4.13Å
534	R	76.5	Confident	71.5	Confident	51 Å²	51	77.4 Å²	77.4	19%	0.192	39%	0.388	C	S	.	.			trans	-125.5	-57.6	-178.2	-66.2	-175.5	156.8	162.4	-5.6	113.3	N225 G459 E525 V532	N225-R534 WeakPolarHBondContact ND2-CD 3.47Å; G459-R534 PolarHBondContact O-N 2.79Å; E525-R534 IonicContact OE1-CZ 3.86Å; E525-R534 IonicContact OE1-NE 2.64Å; E525-R534 PolarHBondContact OE1-NE 2.92Å; E525-R534 IonicContact OE1-NH2 2.76Å; E525-R534 PolarHBondContact OE1-NH2 3.02Å; E525-R534 IonicContact OE2-NH2 2.71Å; E525-R534 PolarHBondContact OE2-NH2 2.68Å; V532-R534 HydrophobicContact CG1-CG 4.12Å; V532-R534 PolarHBondContact O-N 3.08Å
535	R	79.6	Confident	69.2	Low	102 Å²	102	83 Å²	83	39%	0.385	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	117.5	-172.8	-171.9	170.8	63.9	-179.7	0.7	111.7	H457 G459 D460 Y461 V537	H457-R535 PolarHBondContact ND1-NH2 2.71Å; G459-R535 PolarHBondContact O-N 3Å; D460-R535 WeakPolarHBondContact CA-O 3.22Å; D460-R535 VanDerWaalsContact CG-NH2 3.26Å; D460-R535 IonicContact OD1-CZ 3.28Å; D460-R535 IonicContact OD1-NE 3.03Å; D460-R535 PolarHBondContact OD1-NE 3.13Å; D460-R535 IonicContact OD1-NH2 3.84Å; D460-R535 PolarHBondContact OD1-NH2 3.12Å; D460-R535 IonicContact OD2-NH2 2.63Å; D460-R535 PolarHBondContact OD2-NH2 3.2Å; Y461-R535 VanDerWaalsContact CD1-O 3.29Å; Y461-R535 WeakPolarHBondContact CD1-O 3.41Å; Y461-R535 PolarHBondContact N-O 2.8Å; R535-V537 PolarHBondContact O-N 2.82Å
536	P	86.4	Confident	66.9	Low	65 Å²	65	88.2 Å²	88.2	42%	0.422	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	124.8	171.1	24.6	-29.4	0	0	0	110.3	C441 Y461 S538	C441-P536 HydrophobicContact CB-CB 3.67Å; Y461-P536 HydrophobicContact CE1-CB 4.23Å; Y461-P536 VanDerWaalsContact CE1-N 3.35Å; Y461-P536 HydrophobicContact CE2-CB 4.22Å; P536-S538 PolarHBondContact O-N 3.2Å
537	V	87.4	Confident	64.3	Low	28 Å²	28	97.1 Å²	97.1	17%	0.17	49%	0.485	C	S	.	.			trans	-84.4	110.9	168.4	178	0	0	0	0	108.6	C441 H443 K454 L455 D460 Y461 L462 R535	C441-V537 WeakPolarHBondContact CA-O 3.5Å; H443-V537 PolarHBondContact NE2-O 2.66Å; K454-V537 HydrophobicContact CB-CG1 4.34Å; L455-V537 HydrophobicContact CD2-CB 4.44Å; L455-V537 HydrophobicContact CD2-CG2 3.9Å; D460-V537 HydrophobicContact CB-CG2 3.95Å; Y461-V537 PolarHBondContact O-N 2.98Å; L462-V537 HydrophobicContact CB-CB 4.39Å; R535-V537 PolarHBondContact O-N 2.82Å
538	S	83.3	Confident	61.7	Low	39 Å²	39	100.2 Å²	100.2	27%	0.273	50%	0.496	S	S	.	.			trans	-67.9	146.4	-176.3	-171.5	0	0	0	0	112.6	E440 H443 P536 R540	E440-S538 PolarHBondContact OE2-OG 2.88Å; E440-S538 VanDerWaalsContact OE2-OG 3.12Å; H443-S538 PolarHBondContact CE1-O 3Å; H443-S538 VanDerWaalsContact NE2-C 3.25Å; H443-S538 PolarHBondContact NE2-O 2.9Å; P536-S538 PolarHBondContact O-N 3.2Å; S538-R540 VanDerWaalsContact C-N 3.26Å; S538-R540 PolarHBondContact OG-N 2.94Å
539	N	80.6	Confident	59.2	Low	54 Å²	54	106.5 Å²	106.5	29%	0.289	53%	0.53	S	S	.	.	S	Bend	trans	-82.7	-0.9	173.3	-167.9	23.7	0	0	0	112.7	E440 F442 H443 N541	E440-N539 WeakPolarHBondContact O-CB 3.34Å; E440-N539 PolarHBondContact O-N 3.46Å; F442-N539 PolarHBondContact O-ND2 3.29Å; H443-N539 WeakPolarHBondContact CE1-CA 3.45Å; H443-N539 PolarHBondContact ND1-OD1 2.89Å; N539-N541 PolarHBondContact O-N 3.45Å; N539-N541 VanDerWaalsContact O-N 3.13Å
540	R	69.6	Low	57.1	Low	190 Å²	190	102.2 Å²	102.2	72%	0.717	53%	0.529	S	S	*	.	S	Bend	trans	-70.1	106.7	169.8	-62.4	-178.2	-171.9	-130.7	3.4	108.9	E440 S538	E440-R540 IonicContact OE1-CZ 2.79Å; E440-R540 IonicContact OE1-NE 2.69Å; E440-R540 PolarHBondContact OE1-NE 2.97Å; E440-R540 IonicContact OE1-NH2 2.86Å; E440-R540 PolarHBondContact OE1-NH2 3.22Å; E440-R540 IonicContact OE2-NE 3.56Å; S538-R540 VanDerWaalsContact C-N 3.26Å; S538-R540 PolarHBondContact OG-N 2.94Å
541	N	48	Very low	54.9	Low	133 Å²	133	106.5 Å²	106.5	71%	0.711	54%	0.538	S	S	*	.			trans	-51.2	141.1	173.4	-79.8	-23.2	0	0	0	110.8	N539 E543	N539-N541 PolarHBondContact O-N 3.45Å; N539-N541 VanDerWaalsContact O-N 3.13Å; N541-E543 PolarHBondContact O-N 3.07Å
542	S	34.5	Very low	52.2	Low	124 Å²	124	115.1 Å²	115.1	87%	0.867	58%	0.583	S	S	*	*			trans	-72.5	57.5	173.5	46.9	0	0	0	0	112.4	S544	S542-S544 PolarHBondContact O-N 3.13Å
543	E	28.9	Very low	50.1	Low	177 Å²	177	123.7 Å²	123.7	83%	0.827	64%	0.644	S	S	*	*			trans	-65.8	94.1	155.1	-71.3	-158.5	173.7	0	0	107.8	N541	N541-E543 PolarHBondContact O-N 3.07Å
544	S	25.9	Very low	48.4	Very low	80 Å²	80	129.9 Å²	129.9	56%	0.559	68%	0.676	S	S	*	*			trans	-42.4	144.9	178	58.3	0	0	0	0	112.5	S542 K546	S542-S544 PolarHBondContact O-N 3.13Å; S544-K546 PolarHBondContact O-N 2.86Å
545	P	26.5	Very low	47	Very low	127 Å²	127	134.1 Å²	134.1	83%	0.825	70%	0.701	S	S	*	*			trans	-58.2	107.1	161.9	26.4	-32.4	0	0	0	107.7	K547	P545-K547 PolarHBondContact O-N 3.3Å
546	K	30.7	Very low	45.2	Very low	179 Å²	179	135.8 Å²	135.8	78%	0.778	72%	0.719	S	S	*	*			trans	-59.2	115.6	178.8	-80.1	179.5	179.9	167.7	0	107.7	S544 F548	S544-K546 PolarHBondContact O-N 2.86Å; K546-F548 PolarHBondContact O-N 3.39Å
547	K	29.4	Very low	42.7	Very low	193 Å²	193	140 Å²	140	84%	0.839	74%	0.736	S	S	*	*			trans	-50.3	102.2	176.7	-68.2	176.3	176.6	177.9	0	110.4	P545 L549	P545-K547 PolarHBondContact O-N 3.3Å; K547-L549 PolarHBondContact O-N 3.45Å
548	F	27.8	Very low	39.9	Very low	215 Å²	215	147 Å²	147	94%	0.943	77%	0.772	S	S	*	*			trans	-78.9	67.1	158.6	-101.3	-85	0	0	0	109	K546	K546-F548 PolarHBondContact O-N 3.39Å
549	L	27.3	Very low	37	Very low	163 Å²	163	154.2 Å²	154.2	85%	0.853	81%	0.805	S	S	*	*			trans	-134.5	96.3	169.5	-97	170	0	0	0	107	K547	K547-L549 PolarHBondContact O-N 3.45Å
550	G	28.5	Very low	33.9	Very low	68 Å²	68	161.4 Å²	161.4	70%	0.701	84%	0.842	S	S	*	*			trans	164.2	64.9	-178.2	0	0	0	0	0	116.7
551	R	29.5	Very low	31.2	Very low	243 Å²	243	159.2 Å²	159.2	92%	0.917	85%	0.852	S	S	*	*				-177.3	116.7	117.9	-99.7	169.2	-172.6	-165.3	1.5	111.6
552	L	29	Very low	29.8	Very low	180 Å²	180	161.3 Å²	161.3	94%	0.942	86%	0.863	S	S	*	*			trans	-74	131.3	150.3	-81	160.7	0	0	0	108.3
553	S	39.7	Very low	29.4	Very low	187 Å²	187	164.7 Å²	164.7	100%	1.308	86%	0.863	S	S	*	*			trans	-149	0	150.6	60.8	0	0	0	0	107.2

Retrieved 553 of 553 residues in 197.5 ms (Link to these results)

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