A0A087X8Z5_POEFO Loading...

Extracellular matrix protein 2

AlphaFold DB , UniProt , Accession A0A087X8Z5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 733 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	50.6	Low	50.2	Low	229 Å²	229	156.9 Å²	156.9	100%	1.128	73%	0.732	S	S	*	*				0	78.5	0	-62	-176.8	-74.8	0	0	110.9
2	R	46.7	Very low	49.3	Very low	219 Å²	219	155.4 Å²	155.4	83%	0.826	73%	0.732	S	S	*	*			trans	-139	-28.5	171.6	-94.2	-171.9	173.3	179.1	-3	115
3	Q	50	Low	48.3	Very low	150 Å²	150	154.1 Å²	154.1	70%	0.701	73%	0.731	S	S	*	*	S	Bend	trans	-66.7	-36.2	172.7	-103.9	65	14.7	0	0	114.4	L5 V6	Q3-L5 VanDerWaalsContact C-N 3.34Å; Q3-L5 PolarHBondContact O-N 3.12Å; Q3-V6 PolarHBondContact O-N 3.2Å
4	W	49.3	Very low	47.7	Very low	231 Å²	231	152.3 Å²	152.3	88%	0.875	74%	0.735	S	S	*	*	H	α-helix	trans	-65.9	-29.7	-172.7	-90	76.8	0	0	0	114.4	V6	W4-V6 VanDerWaalsContact C-N 3.3Å; W4-V6 PolarHBondContact O-N 3.26Å
5	L	50	Low	47	Very low	136 Å²	136	150.1 Å²	150.1	71%	0.712	73%	0.734	S	S	*	*	H	α-helix	trans	-70.9	-24.2	179	-75.2	165.3	0	0	0	113.2	Q3 A9	Q3-L5 VanDerWaalsContact C-N 3.34Å; Q3-L5 PolarHBondContact O-N 3.12Å; L5-A9 PolarHBondContact O-N 3.09Å
6	V	60.7	Low	46.2	Very low	92 Å²	92	150.1 Å²	150.1	56%	0.558	74%	0.737	S	S	*	*	H	α-helix	trans	-73.8	-36.3	-178.8	-176.4	0	0	0	0	111.4	Q3 W4	Q3-V6 PolarHBondContact O-N 3.2Å; W4-V6 VanDerWaalsContact C-N 3.3Å; W4-V6 PolarHBondContact O-N 3.26Å
7	W	52.5	Low	45.4	Very low	202 Å²	202	150.9 Å²	150.9	77%	0.765	74%	0.744	S	S	*	*	H	α-helix	trans	-74.9	-37.1	179.3	-77	86.2	0	0	0	112.7	A9 L10	W7-A9 VanDerWaalsContact C-N 3.3Å; W7-A9 PolarHBondContact O-N 3.2Å; W7-L10 PolarHBondContact O-N 3.48Å
8	A	53.6	Low	44.7	Very low	62 Å²	62	150.9 Å²	150.9	51%	0.512	75%	0.746	S	S	.	*	H	α-helix	trans	-62.3	-36	175.2	0	0	0	0	0	112.7	L10	A8-L10 PolarHBondContact O-N 2.87Å
9	A	48.6	Very low	44.7	Very low	61 Å²	61	149.1 Å²	149.1	50%	0.504	75%	0.747	S	S	.	*	H	α-helix	trans	-70.4	-27.2	179.8	0	0	0	0	0	114	L5 W7	L5-A9 PolarHBondContact O-N 3.09Å; W7-A9 VanDerWaalsContact C-N 3.3Å; W7-A9 PolarHBondContact O-N 3.2Å
10	L	47.1	Very low	44	Very low	118 Å²	118	148.7 Å²	148.7	62%	0.618	75%	0.747	S	S	*	*	H	α-helix	trans	-82.4	-27.1	-177.8	-93.9	162.6	0	0	0	113.8	W7 A8	W7-L10 PolarHBondContact O-N 3.48Å; A8-L10 PolarHBondContact O-N 2.87Å
11	W	43.5	Very low	43.2	Very low	226 Å²	226	146.2 Å²	146.2	86%	0.856	75%	0.75	S	S	*	*	H	α-helix	trans	-79.6	-23.9	179.5	-126.7	72	0	0	0	113.4	L13	W11-L13 VanDerWaalsContact C-N 3.31Å; W11-L13 PolarHBondContact O-N 2.85Å
12	L	38.9	Very low	42.2	Very low	139 Å²	139	144.3 Å²	144.3	73%	0.728	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.4	-7.9	179.5	-97.4	162.1	0	0	0	114.6
13	L	36.6	Very low	41.3	Very low	138 Å²	138	138 Å²	138	72%	0.723	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.3	2.1	-167.9	-117.8	168.8	0	0	0	115.4	W11	W11-L13 VanDerWaalsContact C-N 3.31Å; W11-L13 PolarHBondContact O-N 2.85Å
14	V	39.9	Very low	40.1	Very low	129 Å²	129	139.1 Å²	139.1	78%	0.782	74%	0.738	S	S	*	*	S	Bend	trans	-106.5	-5	-178.5	-172.4	0	0	0	0	112.6
15	V	37.7	Very low	39	Very low	119 Å²	119	132.9 Å²	132.9	72%	0.721	73%	0.729	S	S	*	*	S	Bend	trans	-86.4	-9.1	-176.4	177.3	0	0	0	0	113.3
16	L	33.1	Very low	37.8	Very low	150 Å²	150	138.2 Å²	138.2	79%	0.785	74%	0.74	S	S	*	*			trans	-131.1	65.8	-170.9	-70.2	175.2	0	0	0	114.5
17	I	32.5	Very low	36.2	Very low	165 Å²	165	142.3 Å²	142.3	85%	0.846	75%	0.753	S	S	*	*			trans	-132.9	93.7	151.5	-55.5	-177.7	0	0	0	109.6
18	L	33.9	Very low	35	Very low	151 Å²	151	143.3 Å²	143.3	79%	0.791	76%	0.756	S	S	*	*			trans	-78.1	162.8	154.6	-85.7	170.4	0	0	0	108.6
19	P	44.1	Very low	33.7	Very low	116 Å²	116	145.1 Å²	145.1	75%	0.753	76%	0.758	S	S	*	*			cis	-145.2	154	39.1	41.3	-21.3	0	0	0	119.7
20	D	31.1	Very low	32.8	Very low	140 Å²	140	148.9 Å²	148.9	75%	0.749	77%	0.765	S	S	*	*				33.2	123.2	121.8	-154.3	8	0	0	0	120.7
21	A	28	Very low	31.8	Very low	98 Å²	98	149.8 Å²	149.8	81%	0.81	77%	0.77	S	S	*	*			trans	-159.5	142.5	156.9	0	0	0	0	0	110.9
22	Q	28.7	Very low	31	Very low	188 Å²	188	142.1 Å²	142.1	88%	0.879	76%	0.761	S	S	*	*			trans	-93.4	169.3	-175.2	-60.8	179.2	-39	0	0	114.2
23	A	26.6	Very low	30.5	Very low	86 Å²	86	142 Å²	142	71%	0.711	77%	0.766	S	S	*	*			trans	118.5	128.7	131.4	0	0	0	0	0	120.1
24	E	26	Very low	30	Very low	175 Å²	175	145.3 Å²	145.3	82%	0.818	77%	0.769	S	S	*	*			trans	58.3	97.5	139.4	-64.5	-168.7	144.2	0	0	122.1
25	S	26.8	Very low	29.5	Very low	100 Å²	100	149 Å²	149	70%	0.699	77%	0.769	S	S	*	*				37.7	134.8	117.7	72.4	0	0	0	0	121.6
26	R	24.7	Very low	28.9	Very low	247 Å²	247	155.1 Å²	155.1	93%	0.932	78%	0.779	S	S	*	*				-162.2	131.8	119.7	-112.2	165.2	-171.6	177.9	4.8	114.1
27	H	26.7	Very low	28.5	Very low	178 Å²	178	151.6 Å²	151.6	82%	0.824	78%	0.778	S	S	*	*			trans	-73.8	146.7	159.2	-77.8	-90.2	0	0	0	110.8
28	R	26.7	Very low	28.3	Very low	223 Å²	223	154 Å²	154	84%	0.842	78%	0.783	S	S	*	*				-168	130.6	121.6	-102.8	-166.9	157.6	145.1	-1.9	109
29	N	26.5	Very low	27.9	Very low	101 Å²	101	157.5 Å²	157.5	54%	0.54	79%	0.785	S	S	.	*				65.4	139.3	83.3	-63.3	33.6	0	0	0	112.3
30	Q	29.1	Very low	27.1	Very low	139 Å²	139	161.3 Å²	161.3	65%	0.65	79%	0.785	S	S	*	*			cis	-164.5	172.8	-2.7	-122	171.7	-67.7	0	0	109.1
31	D	27.1	Very low	26.7	Very low	138 Å²	138	163.4 Å²	163.4	74%	0.738	78%	0.782	S	S	*	*			trans	43.7	136.5	147.8	-50.2	-29.8	0	0	0	120
32	G	26.3	Very low	26.6	Very low	64 Å²	64	165.1 Å²	165.1	66%	0.66	78%	0.778	S	S	*	*			cis	148.6	-162.2	13.2	0	0	0	0	0	109.5
33	V	29.3	Very low	26.5	Very low	137 Å²	137	159.3 Å²	159.3	83%	0.83	77%	0.768	S	S	*	*			trans	64	90.6	172.5	-170.3	0	0	0	0	114.4
34	R	25.4	Very low	26.5	Very low	207 Å²	207	165 Å²	165	78%	0.781	78%	0.78	S	S	*	*				79	137.4	78.1	-84.5	-176.4	164.1	-178.5	-2.1	117
35	R	28.2	Very low	26.5	Very low	208 Å²	208	159.6 Å²	159.6	79%	0.785	77%	0.771	S	S	*	*			trans	88	102.6	149.7	-74.1	167.9	177	-175	-2	120.4
36	R	25.1	Very low	26.5	Very low	247 Å²	247	164.2 Å²	164.2	93%	0.932	78%	0.779	S	S	*	*				41.4	83.3	118	-66.6	-174.5	176	-178	-1.7	117.3
37	G	26.4	Very low	26.6	Very low	75 Å²	75	157.8 Å²	157.8	77%	0.773	76%	0.762	S	S	*	*				61.9	140.4	101	0	0	0	0	0	120.9
38	K	28.5	Very low	26.6	Very low	216 Å²	216	160.3 Å²	160.3	94%	0.939	77%	0.765	S	S	*	*			trans	-145	154.9	154.3	-106.2	171.2	-177.1	176	0	110.1
39	R	25.6	Very low	26.5	Very low	225 Å²	225	154.1 Å²	154.1	85%	0.849	75%	0.752	S	S	*	*			trans	-94.6	177	-179.8	-163.6	-179.2	-164.7	174.8	5	109.6
40	W	26.6	Very low	26.5	Very low	196 Å²	196	154.4 Å²	154.4	74%	0.742	76%	0.762	S	S	*	*			trans	117	103.5	154.6	-68.9	82.3	0	0	0	117.8
41	R	23	Very low	26.4	Very low	184 Å²	184	154.4 Å²	154.4	69%	0.694	76%	0.762	S	S	*	*			trans	67.7	124.3	132.6	-70.4	-167.8	-167.6	-136.6	8.8	123
42	D	24.3	Very low	26.4	Very low	133 Å²	133	150.9 Å²	150.9	71%	0.711	76%	0.758	S	S	*	*				65.5	96.3	121.8	-45.2	-11.7	0	0	0	120.5
43	G	26.7	Very low	26.4	Very low	66 Å²	66	157.5 Å²	157.5	68%	0.68	76%	0.763	S	S	*	*				92.7	98.6	105.1	0	0	0	0	0	119.9
44	Q	27.5	Very low	26.3	Very low	205 Å²	205	156.5 Å²	156.5	96%	0.958	76%	0.763	S	S	*	*			trans	179.3	141.5	147.2	-99	147.6	99.4	0	0	108.2
45	G	26.1	Very low	26.3	Very low	62 Å²	62	156.3 Å²	156.3	64%	0.639	77%	0.767	S	S	*	*			cis	161	156.5	-10.2	0	0	0	0	0	111.8
46	F	26.5	Very low	27.1	Very low	198 Å²	198	151.7 Å²	151.7	87%	0.868	76%	0.764	S	S	*	*			trans	57.3	145.7	151.7	-75.4	-110.8	0	0	0	120.4
47	I	26.7	Very low	27	Very low	111 Å²	111	147.1 Å²	147.1	57%	0.569	76%	0.758	S	S	*	*			cis	-165.7	177.9	-22.7	-144.6	-178.9	0	0	0	108.2	T49	I47-T49 HydrophobicContact CD1-CG2 3.88Å; I47-T49 HydrophobicContact CG1-CG2 4.18Å
48	W	25.9	Very low	26.8	Very low	231 Å²	231	151.6 Å²	151.6	88%	0.875	76%	0.756	S	S	*	*			trans	152.4	94.3	146.1	-90.2	97.2	0	0	0	106.9
49	T	25.9	Very low	26.6	Very low	93 Å²	93	148 Å²	148	57%	0.571	75%	0.745	S	S	*	*				53.2	132.7	65.7	71.4	0	0	0	0	113.4	I47	I47-T49 HydrophobicContact CD1-CG2 3.88Å; I47-T49 HydrophobicContact CG1-CG2 4.18Å
50	S	25.9	Very low	26.4	Very low	107 Å²	107	148.7 Å²	148.7	75%	0.748	75%	0.748	S	S	*	*			cis	-122.4	148.9	34.5	49.4	0	0	0	0	114.3
51	E	27.6	Very low	26.4	Very low	139 Å²	139	146.8 Å²	146.8	65%	0.65	75%	0.752	S	S	*	*				57.1	137.3	71.5	-66.1	-148.4	97.2	0	0	116.5	R53	E51-R53 IonicContact OE1-CZ 2.69Å; E51-R53 IonicContact OE1-NE 2.66Å; E51-R53 PolarHBondContact OE1-NE 3.28Å; E51-R53 IonicContact OE1-NH2 3Å; E51-R53 PolarHBondContact OE1-NH2 3.46Å; E51-R53 IonicContact OE2-NH2 3.13Å; E51-R53 PolarHBondContact OE2-NH2 3Å
52	G	26.9	Very low	26.5	Very low	65 Å²	65	144.3 Å²	144.3	67%	0.67	76%	0.757	S	S	*	*			cis	153.5	179.7	-10.9	0	0	0	0	0	116.4
53	R	26.6	Very low	26.8	Very low	202 Å²	202	143.6 Å²	143.6	76%	0.762	76%	0.759	S	S	*	*			trans	70.8	158.4	163.2	-41.6	-177.2	-172	-169.4	5.9	115.6	E51	E51-R53 IonicContact OE1-CZ 2.69Å; E51-R53 IonicContact OE1-NE 2.66Å; E51-R53 PolarHBondContact OE1-NE 3.28Å; E51-R53 IonicContact OE1-NH2 3Å; E51-R53 PolarHBondContact OE1-NH2 3.46Å; E51-R53 IonicContact OE2-NH2 3.13Å; E51-R53 PolarHBondContact OE2-NH2 3Å
54	S	27.2	Very low	26.7	Very low	117 Å²	117	144 Å²	144	82%	0.818	76%	0.763	S	S	*	*			cis	-147	165.8	18.6	-56.7	0	0	0	0	114.3
55	K	24.6	Very low	26.9	Very low	202 Å²	202	140.7 Å²	140.7	88%	0.878	76%	0.759	S	S	*	*			trans	-105.4	-163.1	169.4	-51.8	176.9	171.4	178.2	0	110.1
56	P	44.9	Very low	26.9	Very low	111 Å²	111	147.5 Å²	147.5	72%	0.721	77%	0.772	S	S	*	*			cis	-130.2	-161.9	-35.3	30.2	-7.7	0	0	0	112.7
57	L	23.2	Very low	26.9	Very low	152 Å²	152	141.5 Å²	141.5	80%	0.796	77%	0.766	S	S	*	*			trans	129.2	153.9	150.1	-69.5	165.4	0	0	0	113.5
58	K	22.3	Very low	27.1	Very low	169 Å²	169	142.5 Å²	142.5	74%	0.735	78%	0.779	S	S	*	*			cis	-174.9	155.3	-36	-143.3	-172.3	-173.1	176	0	109.4
59	I	24.1	Very low	27.3	Very low	140 Å²	140	140.2 Å²	140.2	72%	0.718	78%	0.778	S	S	*	*			trans	75	149.8	162.6	-54	153.7	0	0	0	113.9
60	R	21.9	Very low	27.3	Very low	239 Å²	239	142.6 Å²	142.6	90%	0.902	79%	0.792	S	S	*	*			cis	-143.2	-174.8	13.7	-142.1	154.1	-166.4	166.3	1.9	113.1
61	L	25.9	Very low	27.5	Very low	157 Å²	157	143.3 Å²	143.3	82%	0.822	80%	0.795	S	S	*	*			trans	-131.6	-176.6	179.6	-98.9	167.4	0	0	0	111.9
62	V	25.5	Very low	27.8	Very low	132 Å²	132	141.8 Å²	141.8	80%	0.8	81%	0.806	S	S	*	*			trans	91.4	139.9	161.1	-170.2	0	0	0	0	115.4
63	P	30.5	Very low	27.6	Very low	117 Å²	117	141.8 Å²	141.8	76%	0.76	81%	0.806	S	S	*	*			cis	-147.9	162	-42.7	42.7	-23.4	0	0	0	117.9
64	G	25.3	Very low	27.5	Very low	74 Å²	74	138.5 Å²	138.5	76%	0.763	81%	0.808	S	S	*	*			trans	72.3	-177.2	153.2	0	0	0	0	0	118.7
65	P	31.3	Very low	27.5	Very low	136 Å²	136	141.6 Å²	141.6	88%	0.883	82%	0.815	S	S	*	*			cis	-109.2	-148.7	9.8	42.5	-33.2	0	0	0	115.1
66	K	25.4	Very low	27.6	Very low	206 Å²	206	137.2 Å²	137.2	90%	0.896	81%	0.805	S	S	*	*			trans	-130.3	148	-157.9	-49.7	173.3	-176.2	177.7	0	115.8
67	G	27.6	Very low	26.8	Very low	72 Å²	72	141.2 Å²	141.2	74%	0.742	81%	0.812	S	S	*	*			trans	75.1	175.4	146	0	0	0	0	0	117.9
68	P	31.6	Very low	26.9	Very low	131 Å²	131	145.2 Å²	145.2	85%	0.851	82%	0.817	S	S	*	*			cis	-114.9	-167.2	10.7	42.3	-32	0	0	0	115.1
69	H	28.4	Very low	27.4	Very low	183 Å²	183	146.1 Å²	146.1	85%	0.847	82%	0.816	S	S	*	*			trans	-98.6	156.6	-175.7	-52.3	-106.3	0	0	0	113.8
70	T	26.9	Very low	27.5	Very low	143 Å²	143	146.8 Å²	146.8	88%	0.877	82%	0.821	S	S	*	*			trans	-149.5	162	154.1	15.3	0	0	0	0	110.3
71	P	30.5	Very low	27.9	Very low	123 Å²	123	143 Å²	143	80%	0.799	82%	0.818	S	S	*	*			trans	-96.7	176.6	-161.3	38.9	-37.9	0	0	0	115.3
72	A	32.6	Very low	28.1	Very low	107 Å²	107	141 Å²	141	88%	0.884	81%	0.813	S	S	*	*			trans	-70.2	149.9	174.8	0	0	0	0	0	113.6
73	G	24.2	Very low	28.3	Very low	65 Å²	65	143 Å²	143	67%	0.67	81%	0.814	S	S	*	*			trans	179.5	129.7	169.3	0	0	0	0	0	113.2
74	T	24.4	Very low	28.2	Very low	133 Å²	133	145.6 Å²	145.6	82%	0.816	82%	0.821	S	S	*	*			trans	45.8	111.3	161.6	44.6	0	0	0	0	119.4	T76	T74-T76 PolarHBondContact O-N 3.43Å
75	L	27.4	Very low	28.2	Very low	182 Å²	182	151 Å²	151	95%	0.953	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-62.7	121.9	152.4	-79.3	161.7	0	0	0	109.4
76	T	26.3	Very low	28.2	Very low	109 Å²	109	150.1 Å²	150.1	67%	0.669	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-100.5	132.4	170.9	49	0	0	0	0	110.1	T74 Y78	T74-T76 PolarHBondContact O-N 3.43Å; T76-Y78 PolarHBondContact O-N 2.86Å
77	F	26.9	Very low	28.1	Very low	196 Å²	196	145.2 Å²	145.2	86%	0.86	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-55.5	131.7	178	-76.9	-105.9	0	0	0	112.6	R79	F77-R79 PolarHBondContact O-N 3.13Å; F77-R79 VanDerWaalsContact O-N 3.12Å
78	Y	26.7	Very low	28.4	Very low	235 Å²	235	152.5 Å²	152.5	92%	0.922	82%	0.822	S	S	*	*			trans	-82.7	59.4	165.5	-83.7	-84.5	0	0	0	111.5	T76	T76-Y78 PolarHBondContact O-N 2.86Å
79	R	31.3	Very low	28.1	Very low	189 Å²	189	150.2 Å²	150.2	71%	0.713	81%	0.808	S	S	*	*			trans	-73.1	147.3	154.5	-100.1	-176.6	171.1	176.8	-3.3	107.9	F77	F77-R79 PolarHBondContact O-N 3.13Å; F77-R79 VanDerWaalsContact O-N 3.12Å
80	N	27.5	Very low	28.5	Very low	153 Å²	153	147.9 Å²	147.9	82%	0.818	81%	0.807	S	S	*	*			trans	82.7	71	-177.1	-42.9	-62.2	0	0	0	116.9
81	I	29.9	Very low	28.6	Very low	161 Å²	161	147.8 Å²	147.8	83%	0.826	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-95.5	123	131.7	-63	177.3	0	0	0	105.7
82	P	29.2	Very low	28.7	Very low	113 Å²	113	147.8 Å²	147.8	73%	0.734	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-72	129.7	175.4	-15	29.7	0	0	0	110.5	L84	P82-L84 PolarHBondContact O-N 2.8Å
83	E	31.4	Very low	28.8	Very low	175 Å²	175	146.5 Å²	146.5	82%	0.818	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-62.2	124	169.5	-61.3	-175.7	117.1	0	0	110.3
84	L	26.7	Very low	29.7	Very low	171 Å²	171	150.3 Å²	150.3	90%	0.895	80%	0.795	S	S	*	*			trans	-100.9	102.1	173.6	-167.6	71.4	0	0	0	109.3	P82	P82-L84 PolarHBondContact O-N 2.8Å
85	Q	25.7	Very low	31	Very low	189 Å²	189	151.7 Å²	151.7	88%	0.883	79%	0.792	S	S	*	*			trans	-54	146.3	176.1	-78	-173	-21.2	0	0	112.3
86	S	31.5	Very low	32.5	Very low	116 Å²	116	147.1 Å²	147.1	81%	0.811	77%	0.772	S	S	*	*			trans	-58.6	140.1	-165.9	62.9	0	0	0	0	115.1
87	S	23.3	Very low	34.7	Very low	103 Å²	103	146.2 Å²	146.2	72%	0.72	76%	0.76	S	S	*	*			trans	-141.2	122.6	141	74.7	0	0	0	0	111.2	S89	S87-S89 PolarHBondContact O-N 3.36Å; S87-S89 VanDerWaalsContact O-N 3.11Å
88	Y	33.3	Very low	37.2	Very low	226 Å²	226	136.9 Å²	136.9	89%	0.886	72%	0.719	S	S	*	*			trans	-76.3	97	174.5	-115	-93.6	0	0	0	109.2
89	S	25.6	Very low	39.6	Very low	82 Å²	82	129.9 Å²	129.9	57%	0.573	70%	0.7	S	S	*	*			trans	-124	108.2	169.1	55.3	0	0	0	0	109.8	S87 I91	S87-S89 PolarHBondContact O-N 3.36Å; S87-S89 VanDerWaalsContact O-N 3.11Å; S89-I91 PolarHBondContact O-N 2.96Å; S89-I91 VanDerWaalsContact O-N 3.07Å
90	V	36.5	Very low	41.8	Very low	134 Å²	134	123.2 Å²	123.2	81%	0.812	68%	0.676	S	S	*	*			trans	-71.6	104.1	-177.3	178.8	0	0	0	0	109.6
91	I	29.3	Very low	44.1	Very low	142 Å²	142	121.8 Å²	121.8	73%	0.728	66%	0.659	S	S	*	*			trans	-103.5	117.6	169.3	-56.8	177.2	0	0	0	107.8	S89 G93	S89-I91 PolarHBondContact O-N 2.96Å; S89-I91 VanDerWaalsContact O-N 3.07Å; I91-G93 PolarHBondContact O-N 3.37Å
92	P	32.9	Very low	46.1	Very low	123 Å²	123	117.1 Å²	117.1	80%	0.799	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.4	118	-179.2	27.8	-30.6	0	0	0	110.7
93	G	34.8	Very low	47.7	Very low	80 Å²	80	114.4 Å²	114.4	83%	0.825	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	155.4	-12	168.9	0	0	0	0	0	119.3	I91	I91-G93 PolarHBondContact O-N 3.37Å
94	K	42.3	Very low	49.8	Very low	145 Å²	145	108.8 Å²	108.8	63%	0.63	61%	0.607	S	S	*	*			trans	-85.8	140.2	172.7	-78.6	-161.7	178.3	-168.8	0	111.4	T96 E123	K94-T96 PolarHBondContact O-N 2.94Å; K94-E123 IonicContact NZ-OE1 3.92Å; K94-E123 PolarHBondContact NZ-OE1 3.47Å; K94-E123 IonicContact NZ-OE2 2.81Å; K94-E123 PolarHBondContact NZ-OE2 3.3Å
95	Q	52.3	Low	51.9	Low	161 Å²	161	101.4 Å²	101.4	75%	0.752	57%	0.568	S	S	*	*			trans	-83.2	96.9	172.3	-69	174.8	-77.2	0	0	109.6	Q97 G124	Q95-Q97 PolarHBondContact O-N 3.35Å; Q95-G124 VanDerWaalsContact O-CA 3.3Å; Q95-G124 WeakPolarHBondContact O-CA 3.39Å; Q95-G124 PolarHBondContact O-N 3.47Å
96	T	59.1	Low	53.9	Low	86 Å²	86	95.1 Å²	95.1	53%	0.528	54%	0.54	S	S	.	.			trans	-79.7	35.1	175.2	60.5	0	0	0	0	112.2	K94 D107	K94-T96 PolarHBondContact O-N 2.94Å; T96-D107 PolarHBondContact O-N 3.33Å; T96-D107 VanDerWaalsContact O-N 3.13Å
97	Q	72.2	Confident	55.9	Low	90 Å²	90	91.8 Å²	91.8	42%	0.421	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	134.2	-175.1	-67.7	-177.5	-16.3	0	0	108.8	Q95 T104 M105	Q95-Q97 PolarHBondContact O-N 3.35Å; Q97-T104 HydrophobicContact CB-CG2 4.07Å; Q97-T104 HydrophobicContact CG-CG2 4.35Å; Q97-M105 CarbonylContact C-O 3.53Å; Q97-M105 VanDerWaalsContact CA-O 3.25Å; Q97-M105 WeakPolarHBondContact CA-O 3.46Å
98	C	80.3	Confident	58	Low	0 Å²	0	90.5 Å²	90.5	0%	0	50%	0.498	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	143.7	172.7	-57.5	0	0	0	0	110	T104 M105 C121 G124 R125 V126	C98-T104 CarbonylContact O-C 3.58Å; C98-T104 WeakPolarHBondContact O-CA 3.46Å; C98-M105 PolarHBondContact N-O 2.96Å; C98-M105 PolarHBondContact O-N 3.34Å; C98-C121 HydrophobicContact CB-CB 3.77Å; C98-C121 WeakPolarHBondContact CB-SG 3.44Å; C98-C121 PolarHBondContact N-SG 2.6Å; C98-C121 WeakPolarHBondContact SG-CA 3.45Å; C98-C121 WeakPolarHBondContact SG-CB 3.33Å; C98-C121 CovalentContact SG-SG 2.02Å; C98-C121 PolarHBondContact SG-SG 2.82Å; C98-G124 VanDerWaalsContact SG-CA 3.52Å; C98-R125 PolarHBondContact SG-N 3.35Å; C98-R125 VanDerWaalsContact SG-N 3.42Å; C98-R125 PolarHBondContact SG-O 3.02Å; C98-V126 HydrophobicContact CB-CG2 3.74Å
99	V	77.6	Confident	59.5	Low	88 Å²	88	80.2 Å²	80.2	53%	0.533	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	118.9	170.1	-178.5	0	0	0	0	109.1	L103	V99-L103 CarbonylContact C-O 3.58Å; V99-L103 WeakPolarHBondContact CA-O 3.41Å
100	Y	75.6	Confident	61.9	Low	50 Å²	50	76.4 Å²	76.4	20%	0.196	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	116	176.5	-174.1	-98.2	0	0	0	109.7	G102 L103 W111 P113 V126	Y100-G102 PolarHBondContact O-N 3.39Å; Y100-L103 PolarHBondContact N-O 3.03Å; Y100-L103 WeakPolarHBondContact O-CB 3.25Å; Y100-L103 PolarHBondContact O-N 3.41Å; Y100-W111 HydrophobicContact CD1-CZ2 4.2Å; Y100-W111 AromaticContact CD1-NE1 3.65Å; Y100-W111 HydrophobicContact CD2-CZ2 4.2Å; Y100-W111 AromaticContact CG-CZ2 3.74Å; Y100-W111 HydrophobicContact CG-CZ2 3.74Å; Y100-P113 HydrophobicContact CD1-CB 4.31Å; Y100-P113 HydrophobicContact CE1-CB 3.49Å; Y100-P113 VanDerWaalsContact CE1-CB 3.49Å; Y100-P113 HydrophobicContact CE1-CG 3.7Å; Y100-V126 HydrophobicContact CD2-CB 4.36Å; Y100-V126 HydrophobicContact CD2-CG1 3.82Å; Y100-V126 HydrophobicContact CD2-CG2 4.13Å; Y100-V126 HydrophobicContact CE2-CG1 4.31Å
101	R	76.6	Confident	63.7	Low	123 Å²	123	70.1 Å²	70.1	46%	0.464	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.1	15.3	177.8	-64.4	-171.2	168	-135.9	-19.7	115.7	E162 L163	R101-E162 IonicContact CZ-OE1 2.71Å; R101-E162 IonicContact CZ-OE2 3.82Å; R101-E162 VanDerWaalsContact NH1-CD 3.34Å; R101-E162 IonicContact NH1-OE1 2.76Å; R101-E162 PolarHBondContact NH1-OE1 2.97Å; R101-E162 IonicContact NH1-OE2 3.36Å; R101-E162 VanDerWaalsContact NH2-CD 3.27Å; R101-E162 IonicContact NH2-OE1 4Å; R101-E162 PolarHBondContact NH2-OE1 3.36Å; R101-E162 IonicContact NH2-OE2 3.14Å; R101-E162 PolarHBondContact NH2-OE2 2.94Å; R101-E162 VanDerWaalsContact NH2-OE2 3.11Å; R101-L163 HydrophobicContact CB-CD2 3.74Å; R101-L163 HydrophobicContact CG-CD1 4.08Å; R101-L163 HydrophobicContact CG-CD2 3.95Å
102	G	71.1	Confident	65.7	Low	62 Å²	62	65.1 Å²	65.1	64%	0.639	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.7	-8.1	-174.3	0	0	0	0	0	114.6	Y100	Y100-G102 PolarHBondContact O-N 3.39Å
103	L	64.1	Low	67.6	Low	57 Å²	57	61.6 Å²	61.6	30%	0.298	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	136.9	168.8	-56.5	174.7	0	0	0	109.7	V99 Y100 M105 M555	V99-L103 CarbonylContact C-O 3.58Å; V99-L103 WeakPolarHBondContact CA-O 3.41Å; Y100-L103 PolarHBondContact N-O 3.03Å; Y100-L103 WeakPolarHBondContact O-CB 3.25Å; Y100-L103 PolarHBondContact O-N 3.41Å; L103-M105 HydrophobicContact CB-SD 4.45Å; L103-M555 HydrophobicContact CD2-CE 3.82Å; L103-M555 HydrophobicContact CD2-SD 4.34Å
104	T	74.2	Confident	69.3	Low	57 Å²	57	59.9 Å²	59.9	35%	0.35	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	107.5	176.6	-57.5	0	0	0	0	109.8	Q97 C98	Q97-T104 HydrophobicContact CB-CG2 4.07Å; Q97-T104 HydrophobicContact CG-CG2 4.35Å; C98-T104 CarbonylContact O-C 3.58Å; C98-T104 WeakPolarHBondContact O-CA 3.46Å
105	M	71.8	Confident	70.5	Confident	15 Å²	15	56.1 Å²	56.1	7%	0.074	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	144.2	178.7	-54.9	-53.1	-63.5	0	0	110.1	Q97 C98 L103 A109 W111 C121 Y579	Q97-M105 CarbonylContact C-O 3.53Å; Q97-M105 VanDerWaalsContact CA-O 3.25Å; Q97-M105 WeakPolarHBondContact CA-O 3.46Å; C98-M105 PolarHBondContact N-O 2.96Å; C98-M105 PolarHBondContact O-N 3.34Å; L103-M105 HydrophobicContact CB-SD 4.45Å; M105-A109 HydrophobicContact CB-CB 4.32Å; M105-A109 HydrophobicContact CE-CB 4.12Å; M105-W111 HydrophobicContact CB-CE3 4.12Å; M105-W111 HydrophobicContact CB-CH2 4.09Å; M105-W111 HydrophobicContact CB-CZ3 3.75Å; M105-W111 HydrophobicContact CE-CB 4.03Å; M105-W111 HydrophobicContact CE-CD2 3.85Å; M105-W111 HydrophobicContact CE-CE3 3.68Å; M105-W111 HydrophobicContact CE-CG 3.99Å; M105-W111 HydrophobicContact CE-CZ3 4.45Å; M105-W111 HydrophobicContact CG-CD2 3.87Å; M105-W111 HydrophobicContact CG-CE3 3.69Å; M105-W111 HydrophobicContact CG-CH2 3.76Å; M105-W111 HydrophobicContact CG-CZ2 3.93Å; M105-W111 HydrophobicContact CG-CZ3 3.63Å; M105-W111 HydrophobicContact SD-CD2 4.25Å; M105-W111 HydrophobicContact SD-CE3 4.36Å; M105-C121 HydrophobicContact CB-CB 4.39Å; M105-Y579 HydrophobicContact CE-CD1 4.44Å; M105-Y579 HydrophobicContact CE-CE1 4.18Å
106	L	68.6	Low	71.6	Confident	57 Å²	57	49.7 Å²	49.7	30%	0.298	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	156.7	173.2	-63.2	175.3	0	0	0	110.8	A109 C121 F558	L106-A109 HydrophobicContact CB-CB 4.29Å; L106-A109 WeakPolarHBondContact O-CB 3.42Å; L106-A109 PolarHBondContact O-N 3.06Å; L106-C121 WeakPolarHBondContact O-CB 3.42Å; L106-C121 PolarHBondContact O-SG 2.81Å; L106-F558 HydrophobicContact CD2-CE2 4.03Å; L106-F558 HydrophobicContact CG-CE2 4.39Å
107	D	71.5	Confident	72.6	Confident	46 Å²	46	46.4 Å²	46.4	25%	0.246	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	140.1	168.7	-147.9	3.1	0	0	0	111	T96 A109 S122 E123	T96-D107 PolarHBondContact O-N 3.33Å; T96-D107 VanDerWaalsContact O-N 3.13Å; D107-A109 PolarHBondContact O-N 3.22Å; D107-S122 WeakPolarHBondContact OD1-CA 3.43Å; D107-E123 PolarHBondContact OD1-N 2.66Å
108	L	68.4	Low	72.8	Confident	77 Å²	77	43.5 Å²	43.5	40%	0.403	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.3	0.8	-169	-54.7	179.8	0	0	0	116.8	V110 C121	L108-V110 PolarHBondContact O-N 2.86Å; L108-C121 WeakPolarHBondContact CA-O 3.27Å; L108-C121 PolarHBondContact N-O 3.03Å
109	A	65.1	Low	72.9	Confident	9 Å²	9	43.5 Å²	43.5	7%	0.074	26%	0.256	C	S	.	.			trans	-65.3	136.5	173.5	0	0	0	0	0	111	M105 L106 D107 W111 C121	M105-A109 HydrophobicContact CB-CB 4.32Å; M105-A109 HydrophobicContact CE-CB 4.12Å; L106-A109 HydrophobicContact CB-CB 4.29Å; L106-A109 WeakPolarHBondContact O-CB 3.42Å; L106-A109 PolarHBondContact O-N 3.06Å; D107-A109 PolarHBondContact O-N 3.22Å; A109-W111 VanDerWaalsContact O-CZ3 3.32Å; A109-W111 WeakPolarHBondContact O-CZ3 3.26Å; A109-C121 PolarHBondContact O-N 3.1Å
110	V	75.4	Confident	73	Confident	3 Å²	3	41.2 Å²	41.2	2%	0.018	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	139.1	175.8	178	0	0	0	0	109.3	L108 T118 C119 L120 S578 Y600	L108-V110 PolarHBondContact O-N 2.86Å; V110-T118 HydrophobicContact CG1-CG2 3.62Å; V110-C119 CarbonylContact C-O 3.57Å; V110-C119 VanDerWaalsContact CA-O 3.28Å; V110-C119 WeakPolarHBondContact CA-O 3.47Å; V110-L120 HydrophobicContact CG2-CB 4.35Å; V110-L120 HydrophobicContact CG2-CD1 3.6Å; V110-S578 WeakPolarHBondContact O-CB 3Å; V110-Y600 WeakPolarHBondContact CG2-O 3.29Å
111	W	75.5	Confident	73.4	Confident	1 Å²	1	38.8 Å²	38.8	0%	0.004	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	151.5	175.8	70.6	102.8	0	0	0	110.8	Y100 M105 A109 P113 C119 C121 V126 Y579	Y100-W111 HydrophobicContact CD1-CZ2 4.2Å; Y100-W111 AromaticContact CD1-NE1 3.65Å; Y100-W111 HydrophobicContact CD2-CZ2 4.2Å; Y100-W111 AromaticContact CG-CZ2 3.74Å; Y100-W111 HydrophobicContact CG-CZ2 3.74Å; M105-W111 HydrophobicContact CB-CE3 4.12Å; M105-W111 HydrophobicContact CB-CH2 4.09Å; M105-W111 HydrophobicContact CB-CZ3 3.75Å; M105-W111 HydrophobicContact CE-CB 4.03Å; M105-W111 HydrophobicContact CE-CD2 3.85Å; M105-W111 HydrophobicContact CE-CE3 3.68Å; M105-W111 HydrophobicContact CE-CG 3.99Å; M105-W111 HydrophobicContact CE-CZ3 4.45Å; M105-W111 HydrophobicContact CG-CD2 3.87Å; M105-W111 HydrophobicContact CG-CE3 3.69Å; M105-W111 HydrophobicContact CG-CH2 3.76Å; M105-W111 HydrophobicContact CG-CZ2 3.93Å; M105-W111 HydrophobicContact CG-CZ3 3.63Å; M105-W111 HydrophobicContact SD-CD2 4.25Å; M105-W111 HydrophobicContact SD-CE3 4.36Å; A109-W111 VanDerWaalsContact O-CZ3 3.32Å; A109-W111 WeakPolarHBondContact O-CZ3 3.26Å; W111-P113 VanDerWaalsContact O-CD 3.22Å; W111-P113 WeakPolarHBondContact O-CD 3.44Å; W111-C119 HydrophobicContact CD2-CB 3.94Å; W111-C119 HydrophobicContact CE3-CB 4.27Å; W111-C119 HydrophobicContact CH2-CB 3.87Å; W111-C119 HydrophobicContact CZ2-CB 3.47Å; W111-C119 VanDerWaalsContact CZ2-CB 3.47Å; W111-C119 HydrophobicContact CZ3-CB 4.25Å; W111-C119 PolarHBondContact N-O 3.01Å; W111-C119 PolarHBondContact O-N 2.95Å; W111-C121 HydrophobicContact CH2-CB 4.33Å; W111-C121 HydrophobicContact CZ3-CB 3.91Å; W111-V126 HydrophobicContact CH2-CB 4.41Å; W111-V126 HydrophobicContact CH2-CG1 3.7Å; W111-V126 HydrophobicContact CH2-CG2 4.05Å; W111-V126 HydrophobicContact CZ2-CG1 3.71Å; W111-V126 HydrophobicContact CZ2-CG2 4.31Å; W111-Y579 HydrophobicContact CB-CE1 3.58Å; W111-Y579 HydrophobicContact CG-CE1 4.45Å
112	S	69.6	Low	73.5	Confident	37 Å²	37	35.2 Å²	35.2	26%	0.259	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	92.9	176.4	-56.3	0	0	0	0	110.3	S114 V117 T118	S112-S114 PolarHBondContact O-N 2.93Å; S112-V117 WeakPolarHBondContact CA-O 3.36Å; S112-V117 VanDerWaalsContact CB-O 3.29Å; S112-V117 WeakPolarHBondContact CB-O 3.37Å; S112-T118 PolarHBondContact OG-OG1 2.95Å
113	P	73.3	Confident	73.8	Confident	49 Å²	49	38.2 Å²	38.2	32%	0.318	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	-12.1	-178.1	30.2	-36.3	0	0	0	113.6	Y100 W111 V117 C119	Y100-P113 HydrophobicContact CD1-CB 4.31Å; Y100-P113 HydrophobicContact CE1-CB 3.49Å; Y100-P113 VanDerWaalsContact CE1-CB 3.49Å; Y100-P113 HydrophobicContact CE1-CG 3.7Å; W111-P113 VanDerWaalsContact O-CD 3.22Å; W111-P113 WeakPolarHBondContact O-CD 3.44Å; P113-V117 WeakPolarHBondContact CD-O 3.39Å; P113-V117 HydrophobicContact CG-CB 4.49Å; P113-V117 HydrophobicContact CG-CG1 4.07Å; P113-C119 WeakPolarHBondContact CG-SG 3.4Å
114	S	71.4	Confident	74.2	Confident	45 Å²	45	36.8 Å²	36.8	32%	0.315	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	159.5	159.9	91.1	0	0	0	0	108	S112 C116 V117	S112-S114 PolarHBondContact O-N 2.93Å; S114-C116 PolarHBondContact O-N 2.73Å; S114-C116 PolarHBondContact OG-N 2.91Å; S114-V117 PolarHBondContact O-N 3.44Å; S114-V117 WeakPolarHBondContact OG-CG2 3.49Å; S114-V117 PolarHBondContact OG-N 3.47Å
115	P	67.2	Low	74.3	Confident	66 Å²	66	43.4 Å²	43.4	43%	0.429	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-19.5	-178.3	-29	37.9	0	0	0	116.3	R147 C148	P115-R147 WeakPolarHBondContact CB-O 3.46Å; P115-C148 VanDerWaalsContact O-CB 3.32Å; P115-C148 WeakPolarHBondContact O-CB 3.48Å
116	C	74.7	Confident	74.9	Confident	25 Å²	25	45 Å²	45	17%	0.169	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-11.8	175.5	-72.6	0	0	0	0	114.2	S114 M131 C148	S114-C116 PolarHBondContact O-N 2.73Å; S114-C116 PolarHBondContact OG-N 2.91Å; C116-M131 HydrophobicContact CB-CB 4.48Å; C116-M131 WeakPolarHBondContact O-CB 3.46Å; C116-M131 WeakPolarHBondContact O-CG 3.38Å; C116-M131 PolarHBondContact O-N 3.42Å; C116-C148 WeakPolarHBondContact CA-SG 3.35Å; C116-C148 HydrophobicContact CB-CB 3.91Å; C116-C148 WeakPolarHBondContact CB-SG 3.34Å; C116-C148 WeakPolarHBondContact SG-CA 3.36Å; C116-C148 WeakPolarHBondContact SG-CB 3.21Å; C116-C148 PolarHBondContact SG-O 3.23Å; C116-C148 VanDerWaalsContact SG-O 3.33Å; C116-C148 CovalentContact SG-SG 2.04Å; C116-C148 PolarHBondContact SG-SG 3.35Å
117	V	79.8	Confident	75.7	Confident	17 Å²	17	46.3 Å²	46.3	10%	0.103	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	122.2	-170.5	176.4	0	0	0	0	107.9	S112 P113 S114 C128 D129 E130	S112-V117 WeakPolarHBondContact CA-O 3.36Å; S112-V117 VanDerWaalsContact CB-O 3.29Å; S112-V117 WeakPolarHBondContact CB-O 3.37Å; P113-V117 WeakPolarHBondContact CD-O 3.39Å; P113-V117 HydrophobicContact CG-CB 4.49Å; P113-V117 HydrophobicContact CG-CG1 4.07Å; S114-V117 PolarHBondContact O-N 3.44Å; S114-V117 WeakPolarHBondContact OG-CG2 3.49Å; S114-V117 PolarHBondContact OG-N 3.47Å; V117-C128 HydrophobicContact CG1-CB 3.77Å; V117-D129 WeakPolarHBondContact CA-O 3.31Å; V117-E130 HydrophobicContact CG2-CB 4.12Å; V117-E130 HydrophobicContact CG2-CG 3.84Å
118	T	76.1	Confident	76.2	Confident	30 Å²	30	46.7 Å²	46.7	18%	0.184	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	117.7	173.5	-63.6	0	0	0	0	107.8	V110 S112 C128 D129	V110-T118 HydrophobicContact CG1-CG2 3.62Å; S112-T118 PolarHBondContact OG-OG1 2.95Å; T118-C128 WeakPolarHBondContact O-CA 3.29Å; T118-D129 PolarHBondContact N-O 2.83Å; T118-D129 PolarHBondContact O-N 3.29Å
119	C	82.3	Confident	76.4	Confident	0 Å²	0	49 Å²	49	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	131.5	-178	-61.7	0	0	0	0	110.7	V110 W111 P113 V126 V127 C128	V110-C119 CarbonylContact C-O 3.57Å; V110-C119 VanDerWaalsContact CA-O 3.28Å; V110-C119 WeakPolarHBondContact CA-O 3.47Å; W111-C119 HydrophobicContact CD2-CB 3.94Å; W111-C119 HydrophobicContact CE3-CB 4.27Å; W111-C119 HydrophobicContact CH2-CB 3.87Å; W111-C119 HydrophobicContact CZ2-CB 3.47Å; W111-C119 VanDerWaalsContact CZ2-CB 3.47Å; W111-C119 HydrophobicContact CZ3-CB 4.25Å; W111-C119 PolarHBondContact N-O 3.01Å; W111-C119 PolarHBondContact O-N 2.95Å; P113-C119 WeakPolarHBondContact CG-SG 3.4Å; C119-V126 HydrophobicContact CB-CG1 3.98Å; C119-V127 CarbonylContact C-O 3.53Å; C119-V127 WeakPolarHBondContact CA-O 3.47Å; C119-C128 HydrophobicContact CB-CB 4.08Å; C119-C128 WeakPolarHBondContact CB-SG 3.09Å; C119-C128 WeakPolarHBondContact SG-CB 3.49Å; C119-C128 CovalentContact SG-SG 2.04Å; C119-C128 PolarHBondContact SG-SG 2.71Å
120	L	80.3	Confident	77	Confident	39 Å²	39	54.8 Å²	54.8	20%	0.204	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	137.4	170.4	171.7	65.7	0	0	0	109.1	V110 V127	V110-L120 HydrophobicContact CG2-CB 4.35Å; V110-L120 HydrophobicContact CG2-CD1 3.6Å; L120-V127 PolarHBondContact N-O 2.78Å; L120-V127 PolarHBondContact O-N 3.44Å
121	C	84.3	Confident	76.7	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	126.8	162.8	179.1	0	0	0	0	109.4	C98 M105 L106 L108 A109 W111	C98-C121 HydrophobicContact CB-CB 3.77Å; C98-C121 WeakPolarHBondContact CB-SG 3.44Å; C98-C121 PolarHBondContact N-SG 2.6Å; C98-C121 WeakPolarHBondContact SG-CA 3.45Å; C98-C121 WeakPolarHBondContact SG-CB 3.33Å; C98-C121 CovalentContact SG-SG 2.02Å; C98-C121 PolarHBondContact SG-SG 2.82Å; M105-C121 HydrophobicContact CB-CB 4.39Å; L106-C121 WeakPolarHBondContact O-CB 3.42Å; L106-C121 PolarHBondContact O-SG 2.81Å; L108-C121 WeakPolarHBondContact CA-O 3.27Å; L108-C121 PolarHBondContact N-O 3.03Å; A109-C121 PolarHBondContact O-N 3.1Å; W111-C121 HydrophobicContact CH2-CB 4.33Å; W111-C121 HydrophobicContact CZ3-CB 3.91Å
122	S	78.8	Confident	76.7	Confident	47 Å²	47	64.9 Å²	64.9	33%	0.329	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	117.5	178.4	-174.1	0	0	0	0	111	D107 G124 R125	D107-S122 WeakPolarHBondContact OD1-CA 3.43Å; S122-G124 PolarHBondContact O-N 2.98Å; S122-R125 PolarHBondContact N-O 3.43Å; S122-R125 WeakPolarHBondContact O-CB 3.41Å; S122-R125 PolarHBondContact O-N 2.87Å
123	E	76.8	Confident	77	Confident	126 Å²	126	65.3 Å²	65.3	59%	0.589	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.6	39.4	-175.4	-62	-152.7	172.7	0	0	114	K94 D107 R125	K94-E123 IonicContact NZ-OE1 3.92Å; K94-E123 PolarHBondContact NZ-OE1 3.47Å; K94-E123 IonicContact NZ-OE2 2.81Å; K94-E123 PolarHBondContact NZ-OE2 3.3Å; D107-E123 PolarHBondContact OD1-N 2.66Å; E123-R125 VanDerWaalsContact C-N 3.29Å; E123-R125 PolarHBondContact O-N 3.31Å
124	G	73.5	Confident	77	Confident	27 Å²	27	67.7 Å²	67.7	28%	0.278	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.3	7.9	-179	0	0	0	0	0	114.8	Q95 C98 S122	Q95-G124 VanDerWaalsContact O-CA 3.3Å; Q95-G124 WeakPolarHBondContact O-CA 3.39Å; Q95-G124 PolarHBondContact O-N 3.47Å; C98-G124 VanDerWaalsContact SG-CA 3.52Å; S122-G124 PolarHBondContact O-N 2.98Å
125	R	76.5	Confident	76.9	Confident	195 Å²	195	72.1 Å²	72.1	74%	0.736	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.7	138.2	170.2	-59.9	-176.3	179.7	-164.5	0.5	111	C98 S122 E123	C98-R125 PolarHBondContact SG-N 3.35Å; C98-R125 VanDerWaalsContact SG-N 3.42Å; C98-R125 PolarHBondContact SG-O 3.02Å; S122-R125 PolarHBondContact N-O 3.43Å; S122-R125 WeakPolarHBondContact O-CB 3.41Å; S122-R125 PolarHBondContact O-N 2.87Å; E123-R125 VanDerWaalsContact C-N 3.29Å; E123-R125 PolarHBondContact O-N 3.31Å
126	V	83.3	Confident	76.8	Confident	48 Å²	48	74.1 Å²	74.1	29%	0.291	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	123.1	168.1	-173.8	0	0	0	0	108.7	C98 Y100 W111 C119 C128	C98-V126 HydrophobicContact CB-CG2 3.74Å; Y100-V126 HydrophobicContact CD2-CB 4.36Å; Y100-V126 HydrophobicContact CD2-CG1 3.82Å; Y100-V126 HydrophobicContact CD2-CG2 4.13Å; Y100-V126 HydrophobicContact CE2-CG1 4.31Å; W111-V126 HydrophobicContact CH2-CB 4.41Å; W111-V126 HydrophobicContact CH2-CG1 3.7Å; W111-V126 HydrophobicContact CH2-CG2 4.05Å; W111-V126 HydrophobicContact CZ2-CG1 3.71Å; W111-V126 HydrophobicContact CZ2-CG2 4.31Å; C119-V126 HydrophobicContact CB-CG1 3.98Å; V126-C128 WeakPolarHBondContact CG1-SG 3.4Å
127	V	85.3	Confident	76.6	Confident	86 Å²	86	81.8 Å²	81.8	52%	0.521	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	112	169.6	-178.5	0	0	0	0	106.6	C119 L120	C119-V127 CarbonylContact C-O 3.53Å; C119-V127 WeakPolarHBondContact CA-O 3.47Å; L120-V127 PolarHBondContact N-O 2.78Å; L120-V127 PolarHBondContact O-N 3.44Å
128	C	82	Confident	75.9	Confident	54 Å²	54	82.6 Å²	82.6	37%	0.365	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	132.2	174.8	-55.2	0	0	0	0	109.8	V117 T118 C119 V126	V117-C128 HydrophobicContact CG1-CB 3.77Å; T118-C128 WeakPolarHBondContact O-CA 3.29Å; C119-C128 HydrophobicContact CB-CB 4.08Å; C119-C128 WeakPolarHBondContact CB-SG 3.09Å; C119-C128 WeakPolarHBondContact SG-CB 3.49Å; C119-C128 CovalentContact SG-SG 2.04Å; C119-C128 PolarHBondContact SG-SG 2.71Å; V126-C128 WeakPolarHBondContact CG1-SG 3.4Å
129	D	72.8	Confident	75.2	Confident	125 Å²	125	86.7 Å²	86.7	67%	0.668	48%	0.476	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.4	152	160.7	-163.4	13.5	0	0	0	109.8	V117 T118	V117-D129 WeakPolarHBondContact CA-O 3.31Å; T118-D129 PolarHBondContact N-O 2.83Å; T118-D129 PolarHBondContact O-N 3.29Å
130	E	78.1	Confident	74.1	Confident	131 Å²	131	91.1 Å²	91.1	61%	0.612	50%	0.495	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.9	107.6	-176.5	-177.7	165	-140.6	0	0	109.8	V117 T132	V117-E130 HydrophobicContact CG2-CB 4.12Å; V117-E130 HydrophobicContact CG2-CG 3.84Å; E130-T132 PolarHBondContact O-N 3.01Å; E130-T132 VanDerWaalsContact O-N 3.1Å
131	M	70	Confident	73.5	Confident	76 Å²	76	93 Å²	93	37%	0.374	51%	0.511	S	S	.	.			trans	-57.5	114.7	-177.3	-64.4	-167.9	92.1	0	0	111.2	C116 C133	C116-M131 HydrophobicContact CB-CB 4.48Å; C116-M131 WeakPolarHBondContact O-CB 3.46Å; C116-M131 WeakPolarHBondContact O-CG 3.38Å; C116-M131 PolarHBondContact O-N 3.42Å; M131-C133 PolarHBondContact O-N 2.67Å
132	T	75.1	Confident	72.6	Confident	139 Å²	139	94.5 Å²	94.5	85%	0.853	52%	0.523	S	S	*	.			trans	-82.2	107.9	175.8	47.9	0	0	0	0	110.9	E130	E130-T132 PolarHBondContact O-N 3.01Å; E130-T132 VanDerWaalsContact O-N 3.1Å
133	C	75.8	Confident	72.2	Confident	46 Å²	46	95.3 Å²	95.3	31%	0.311	53%	0.526	S	S	.	.			trans	-66.7	143.8	-178.3	-67.2	0	0	0	0	113.4	M131 C148 C149	M131-C133 PolarHBondContact O-N 2.67Å; C133-C148 PolarHBondContact SG-SG 3.4Å; C133-C149 VanDerWaalsContact CA-SG 3.53Å; C133-C149 HydrophobicContact CB-CB 3.83Å; C133-C149 WeakPolarHBondContact CB-SG 3.46Å; C133-C149 WeakPolarHBondContact SG-CA 3.48Å; C133-C149 WeakPolarHBondContact SG-CB 3.29Å; C133-C149 CovalentContact SG-SG 2.04Å; C133-C149 PolarHBondContact SG-SG 2.89Å
134	P	73.9	Confident	71.5	Confident	100 Å²	100	91.2 Å²	91.2	65%	0.649	51%	0.51	S	S	*	.			trans	-63.1	148.9	175.9	26.8	-34.6	0	0	0	111.9	M136	P134-M136 PolarHBondContact O-N 3.03Å
135	T	68.3	Low	70.7	Confident	137 Å²	137	95 Å²	95	84%	0.84	54%	0.539	S	S	*	.			trans	-72.9	90.3	-175	30.9	0	0	0	0	112.9
136	M	65.6	Low	70	Confident	108 Å²	108	87.4 Å²	87.4	53%	0.532	52%	0.521	S	S	.	.			trans	-70.8	152.5	174.5	-65.7	-69.1	-87.6	0	0	112.5	P134	P134-M136 PolarHBondContact O-N 3.03Å
137	H	69.6	Low	69.2	Low	187 Å²	187	90.6 Å²	90.6	87%	0.866	53%	0.527	S	S	*	.			trans	-125.8	99.7	169.8	-77.6	18.4	0	0	0	108.8
138	C	66.6	Low	68.8	Low	33 Å²	33	87 Å²	87	22%	0.223	51%	0.507	C	S	.	.			trans	-146.1	143.1	-172.6	-177.9	0	0	0	0	110.7	F140 C152	C138-F140 VanDerWaalsContact C-N 3.33Å; C138-F140 PolarHBondContact O-N 3.22Å; C138-F140 PolarHBondContact SG-O 3.36Å; C138-C152 HydrophobicContact CB-CB 4.49Å; C138-C152 WeakPolarHBondContact CB-SG 3.37Å; C138-C152 VanDerWaalsContact SG-CA 3.58Å; C138-C152 WeakPolarHBondContact SG-CB 3.32Å; C138-C152 CovalentContact SG-SG 2.03Å; C138-C152 PolarHBondContact SG-SG 2.97Å
139	P	61.1	Low	68.6	Low	117 Å²	117	86.6 Å²	86.6	76%	0.76	50%	0.504	S	S	*	.	S	Bend	trans	-64.3	-33	179.3	24.2	-34.8	0	0	0	113.8
140	F	58.2	Low	68.7	Low	92 Å²	92	82.7 Å²	82.7	40%	0.404	49%	0.485	S	S	.	.	S	Bend	trans	-138.1	94.3	175.3	-54.7	-68.5	0	0	0	110.1	C138 C152 M153 E154 P155	C138-F140 VanDerWaalsContact C-N 3.33Å; C138-F140 PolarHBondContact O-N 3.22Å; C138-F140 PolarHBondContact SG-O 3.36Å; F140-C152 CarbonylContact O-C 3.04Å; F140-C152 VanDerWaalsContact O-CA 3.29Å; F140-C152 WeakPolarHBondContact O-CA 3.43Å; F140-M153 CarbonylContact C-O 3.46Å; F140-M153 WeakPolarHBondContact CB-O 3.5Å; F140-M153 PolarHBondContact O-N 3.25Å; F140-M153 VanDerWaalsContact O-O 3.09Å; F140-E154 HydrophobicContact CD2-CB 4.38Å; F140-E154 HydrophobicContact CD2-CG 4.04Å; F140-E154 HydrophobicContact CE2-CG 4.45Å; F140-P155 HydrophobicContact CD1-CB 4.17Å; F140-P155 HydrophobicContact CD1-CG 3.76Å; F140-P155 HydrophobicContact CE1-CB 4.45Å; F140-P155 HydrophobicContact CE1-CG 3.64Å; F140-P155 HydrophobicContact CG-CG 4.43Å; F140-P155 HydrophobicContact CZ-CG 4.2Å
141	P	67.6	Low	68.5	Low	80 Å²	80	79.1 Å²	79.1	52%	0.519	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	129	170.9	32.2	-30.3	0	0	0	110.4	P150 V151	P141-P150 HydrophobicContact CB-CB 4.05Å; P141-V151 CarbonylContact C-O 3.54Å; P141-V151 WeakPolarHBondContact CA-O 3.32Å
142	A	65.1	Low	68.6	Low	31 Å²	31	79.2 Å²	79.2	26%	0.256	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	149.8	174.4	0	0	0	0	0	111.1	V151 M153	A142-V151 PolarHBondContact N-O 2.68Å; A142-V151 PolarHBondContact O-N 2.75Å; A142-M153 HydrophobicContact CB-CB 3.99Å; A142-M153 HydrophobicContact CB-CE 3.54Å; A142-M153 HydrophobicContact CB-CG 4.19Å
143	T	71.8	Confident	67.6	Low	64 Å²	64	76.3 Å²	76.3	39%	0.393	46%	0.457	S	S	.	.			trans	-106.7	117.8	-175.1	-53.2	0	0	0	0	110	R147 C148 P150	T143-R147 HydrophobicContact CG2-CB 4.26Å; T143-R147 WeakPolarHBondContact CG2-O 3.44Å; T143-C148 WeakPolarHBondContact CG2-O 3.43Å; T143-P150 WeakPolarHBondContact OG1-CA 3.29Å
144	P	62.5	Low	66.3	Low	40 Å²	40	82.1 Å²	82.1	26%	0.26	48%	0.48	S	S	.	.			trans	-57.5	149	170.1	-24.8	33.4	0	0	0	111.9	G146 R147 V151 M153	P144-G146 PolarHBondContact O-N 2.97Å; P144-R147 PolarHBondContact O-N 3.47Å; P144-R147 VanDerWaalsContact O-N 3.12Å; P144-V151 HydrophobicContact CG-CG2 3.9Å; P144-M153 HydrophobicContact CG-CE 4.1Å; P144-M153 HydrophobicContact CG-SD 3.88Å
145	A	55.7	Low	64.8	Low	106 Å²	106	81.7 Å²	81.7	88%	0.876	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	138.2	172.8	0	0	0	0	0	110.8	R147	A145-R147 VanDerWaalsContact C-N 3.31Å; A145-R147 PolarHBondContact O-N 2.91Å
146	G	61.4	Low	63.1	Low	35 Å²	35	82.8 Å²	82.8	36%	0.361	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.9	-9.8	-177.2	0	0	0	0	0	116.1	P144	P144-G146 PolarHBondContact O-N 2.97Å
147	R	67.6	Low	61.5	Low	115 Å²	115	83 Å²	83	43%	0.434	49%	0.49	S	S	.	.			trans	-102.8	148.3	177.7	-72.6	-171.5	163.3	-168.4	-4.3	112.7	P115 T143 P144 A145 E595	P115-R147 WeakPolarHBondContact CB-O 3.46Å; T143-R147 HydrophobicContact CG2-CB 4.26Å; T143-R147 WeakPolarHBondContact CG2-O 3.44Å; P144-R147 PolarHBondContact O-N 3.47Å; P144-R147 VanDerWaalsContact O-N 3.12Å; A145-R147 VanDerWaalsContact C-N 3.31Å; A145-R147 PolarHBondContact O-N 2.91Å; R147-E595 IonicContact CZ-OE2 3.73Å; R147-E595 IonicContact NH2-OE1 2.64Å; R147-E595 IonicContact NH2-OE2 3.11Å; R147-E595 PolarHBondContact NH2-OE2 3.48Å
148	C	75.3	Confident	59.6	Low	12 Å²	12	77.6 Å²	77.6	8%	0.081	48%	0.484	C	S	.	.	S	Bend	trans	-73.5	-67.3	173	173.7	0	0	0	0	112.1	P115 C116 C133 T143	P115-C148 VanDerWaalsContact O-CB 3.32Å; P115-C148 WeakPolarHBondContact O-CB 3.48Å; C116-C148 WeakPolarHBondContact CA-SG 3.35Å; C116-C148 HydrophobicContact CB-CB 3.91Å; C116-C148 WeakPolarHBondContact CB-SG 3.34Å; C116-C148 WeakPolarHBondContact SG-CA 3.36Å; C116-C148 WeakPolarHBondContact SG-CB 3.21Å; C116-C148 PolarHBondContact SG-O 3.23Å; C116-C148 VanDerWaalsContact SG-O 3.33Å; C116-C148 CovalentContact SG-SG 2.04Å; C116-C148 PolarHBondContact SG-SG 3.35Å; C133-C148 PolarHBondContact SG-SG 3.4Å; T143-C148 WeakPolarHBondContact CG2-O 3.43Å
149	C	78.1	Confident	57.9	Low	45 Å²	45	84.6 Å²	84.6	30%	0.304	52%	0.518	S	S	.	.	S	Bend	trans	-87.6	143.3	-164.9	-63.3	0	0	0	0	113.4	C133	C133-C149 VanDerWaalsContact CA-SG 3.53Å; C133-C149 HydrophobicContact CB-CB 3.83Å; C133-C149 WeakPolarHBondContact CB-SG 3.46Å; C133-C149 WeakPolarHBondContact SG-CA 3.48Å; C133-C149 WeakPolarHBondContact SG-CB 3.29Å; C133-C149 CovalentContact SG-SG 2.04Å; C133-C149 PolarHBondContact SG-SG 2.89Å
150	P	75.7	Confident	56.2	Low	42 Å²	42	84.7 Å²	84.7	27%	0.273	52%	0.522	S	S	.	.			trans	-68.6	134.7	-178.6	27.8	-34.7	0	0	0	111.4	P141 T143	P141-P150 HydrophobicContact CB-CB 4.05Å; T143-P150 WeakPolarHBondContact OG1-CA 3.29Å
151	V	73.1	Confident	55.4	Low	56 Å²	56	86.3 Å²	86.3	34%	0.339	54%	0.542	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	176.5	163.8	-65.6	0	0	0	0	109	P141 A142 P144 M153	P141-V151 CarbonylContact C-O 3.54Å; P141-V151 WeakPolarHBondContact CA-O 3.32Å; A142-V151 PolarHBondContact N-O 2.68Å; A142-V151 PolarHBondContact O-N 2.75Å; P144-V151 HydrophobicContact CG-CG2 3.9Å; V151-M153 HydrophobicContact CG2-CG 3.9Å; V151-M153 HydrophobicContact CG2-SD 4.24Å; V151-M153 PolarHBondContact O-N 3.5Å
152	C	72.1	Confident	53.8	Low	79 Å²	79	89 Å²	89	53%	0.534	55%	0.548	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	114.7	174.4	-69.9	0	0	0	0	110.8	C138 F140	C138-C152 HydrophobicContact CB-CB 4.49Å; C138-C152 WeakPolarHBondContact CB-SG 3.37Å; C138-C152 VanDerWaalsContact SG-CA 3.58Å; C138-C152 WeakPolarHBondContact SG-CB 3.32Å; C138-C152 CovalentContact SG-SG 2.03Å; C138-C152 PolarHBondContact SG-SG 2.97Å; F140-C152 CarbonylContact O-C 3.04Å; F140-C152 VanDerWaalsContact O-CA 3.29Å; F140-C152 WeakPolarHBondContact O-CA 3.43Å
153	M	55.1	Low	52.3	Low	78 Å²	78	92 Å²	92	38%	0.384	56%	0.558	S	S	.	*			trans	-142.7	140.9	169.4	-34.7	-169.4	-71	0	0	110.5	F140 A142 P144 V151	F140-M153 CarbonylContact C-O 3.46Å; F140-M153 WeakPolarHBondContact CB-O 3.5Å; F140-M153 PolarHBondContact O-N 3.25Å; F140-M153 VanDerWaalsContact O-O 3.09Å; A142-M153 HydrophobicContact CB-CB 3.99Å; A142-M153 HydrophobicContact CB-CE 3.54Å; A142-M153 HydrophobicContact CB-CG 4.19Å; P144-M153 HydrophobicContact CG-CE 4.1Å; P144-M153 HydrophobicContact CG-SD 3.88Å; V151-M153 HydrophobicContact CG2-CG 3.9Å; V151-M153 HydrophobicContact CG2-SD 4.24Å; V151-M153 PolarHBondContact O-N 3.5Å
154	E	48.9	Very low	50.5	Low	168 Å²	168	94.1 Å²	94.1	79%	0.785	58%	0.576	S	S	*	*			trans	-67.2	156.9	-179.7	-58.7	-169	151.4	0	0	112.5	F140	F140-E154 HydrophobicContact CD2-CB 4.38Å; F140-E154 HydrophobicContact CD2-CG 4.04Å; F140-E154 HydrophobicContact CE2-CG 4.45Å
155	P	42.4	Very low	49.3	Very low	90 Å²	90	95.9 Å²	95.9	58%	0.584	60%	0.601	S	S	*	*			trans	-92.4	136	-155.4	34.9	-35.5	0	0	0	115	F140	F140-P155 HydrophobicContact CD1-CB 4.17Å; F140-P155 HydrophobicContact CD1-CG 3.76Å; F140-P155 HydrophobicContact CE1-CB 4.45Å; F140-P155 HydrophobicContact CE1-CG 3.64Å; F140-P155 HydrophobicContact CG-CG 4.43Å; F140-P155 HydrophobicContact CZ-CG 4.2Å
156	D	31.7	Very low	48.2	Very low	161 Å²	161	97.3 Å²	97.3	86%	0.861	59%	0.594	S	S	*	*			trans	-150.9	173.3	148.1	-140	-30.4	0	0	0	111.6
157	S	31.7	Very low	46.7	Very low	113 Å²	113	100.4 Å²	100.4	79%	0.79	61%	0.61	S	S	*	*			trans	-140	130.5	-144.1	53	0	0	0	0	119.7
158	G	30.3	Very low	45.7	Very low	72 Å²	72	100.9 Å²	100.9	74%	0.742	63%	0.628	S	S	*	*			trans	131.4	107.2	134.5	0	0	0	0	0	123.3
159	L	29.7	Very low	43.9	Very low	180 Å²	180	106.9 Å²	106.9	94%	0.942	66%	0.664	S	S	*	*			trans	80.5	148.7	133.9	-60.1	169.1	0	0	0	124.3
160	S	27.1	Very low	42.2	Very low	120 Å²	120	110.1 Å²	110.1	84%	0.839	69%	0.685	S	S	*	*			trans	-148.3	163.1	-176.8	-47.2	0	0	0	0	114.8
161	P	40.3	Very low	40.4	Very low	126 Å²	126	113.5 Å²	113.5	82%	0.818	71%	0.709	S	S	*	*			trans	-134.1	173.2	175.7	41	-25.1	0	0	0	118.8
162	E	33.9	Very low	38.5	Very low	137 Å²	137	119.3 Å²	119.3	64%	0.64	73%	0.733	S	S	*	*			trans	-154.7	175.1	-171.5	-60.7	-167	172.3	0	0	113.7	R101	R101-E162 IonicContact CZ-OE1 2.71Å; R101-E162 IonicContact CZ-OE2 3.82Å; R101-E162 VanDerWaalsContact NH1-CD 3.34Å; R101-E162 IonicContact NH1-OE1 2.76Å; R101-E162 PolarHBondContact NH1-OE1 2.97Å; R101-E162 IonicContact NH1-OE2 3.36Å; R101-E162 VanDerWaalsContact NH2-CD 3.27Å; R101-E162 IonicContact NH2-OE1 4Å; R101-E162 PolarHBondContact NH2-OE1 3.36Å; R101-E162 IonicContact NH2-OE2 3.14Å; R101-E162 PolarHBondContact NH2-OE2 2.94Å; R101-E162 VanDerWaalsContact NH2-OE2 3.11Å
163	L	34	Very low	37.2	Very low	92 Å²	92	121.2 Å²	121.2	48%	0.482	74%	0.744	S	S	.	*			cis	-170	165.2	-5.4	-120.3	178.1	0	0	0	115.5	R101	R101-L163 HydrophobicContact CB-CD2 3.74Å; R101-L163 HydrophobicContact CG-CD1 4.08Å; R101-L163 HydrophobicContact CG-CD2 3.95Å
164	S	34.8	Very low	36.2	Very low	110 Å²	110	127.4 Å²	127.4	77%	0.769	77%	0.768	S	S	*	*			trans	59.1	169.9	159.4	-66	0	0	0	0	122.4
165	G	35.7	Very low	35.5	Very low	76 Å²	76	127 Å²	127	78%	0.784	77%	0.772	S	S	*	*			cis	170.9	-179.7	-1.4	0	0	0	0	0	110.7
166	D	32.5	Very low	35.1	Very low	136 Å²	136	131.4 Å²	131.4	73%	0.727	78%	0.784	S	S	*	*			cis	-174.1	166.4	-10.9	-163.1	-96.5	0	0	0	113.7
167	S	31.6	Very low	35.4	Very low	101 Å²	101	131.6 Å²	131.6	71%	0.706	78%	0.784	S	S	*	*			trans	70.6	172.1	154	-85.9	0	0	0	0	125
168	P	44.8	Very low	36	Very low	125 Å²	125	132 Å²	132	81%	0.812	78%	0.781	S	S	*	*			cis	-142.8	-156.7	-35.8	42	-20.7	0	0	0	118
169	V	38.5	Very low	36.9	Very low	138 Å²	138	134.4 Å²	134.4	84%	0.836	78%	0.783	S	S	*	*			trans	-133.5	171.4	-166.1	-152.7	0	0	0	0	115.9
170	P	42.6	Very low	37.8	Very low	112 Å²	112	131.7 Å²	131.7	73%	0.727	77%	0.769	S	S	*	*				-165.7	149	124.1	39.4	-17.4	0	0	0	124.2
171	S	38.3	Very low	39.5	Very low	113 Å²	113	130.1 Å²	130.1	79%	0.79	75%	0.754	S	S	*	*			trans	61.3	174.4	140.9	82	0	0	0	0	123.2
172	H	32.7	Very low	40.3	Very low	179 Å²	179	131.7 Å²	131.7	83%	0.829	75%	0.751	S	S	*	*			cis	-169.9	-170	-20.8	-123.5	-5.7	0	0	0	110.3
173	P	43.6	Very low	41.4	Very low	118 Å²	118	132 Å²	132	77%	0.766	75%	0.752	S	S	*	*			cis	-131.7	-120.7	-13.8	40.5	-17	0	0	0	116.4
174	K	35.6	Very low	42.5	Very low	208 Å²	208	129 Å²	129	90%	0.904	74%	0.737	S	S	*	*			trans	-159.6	172.3	-172.8	-72.8	-171.6	179.9	179.5	0	116.8
175	D	33.7	Very low	43.7	Very low	160 Å²	160	128.2 Å²	128.2	86%	0.856	72%	0.723	S	S	*	*			trans	-152.7	177.4	170.1	-137.4	-30.1	0	0	0	116.6
176	H	33.7	Very low	44.7	Very low	183 Å²	183	131.3 Å²	131.3	85%	0.847	72%	0.717	S	S	*	*			trans	-115	173.3	-166.4	-77.6	-91.4	0	0	0	118.8
177	I	38.2	Very low	46	Very low	165 Å²	165	132.1 Å²	132.1	85%	0.846	71%	0.71	S	S	*	*			trans	-134.7	158.4	-170.5	-62.7	177.2	0	0	0	114.1
178	V	44	Very low	47.4	Very low	120 Å²	120	130.7 Å²	130.7	73%	0.727	69%	0.694	S	S	*	*			trans	-112.5	152.8	-175.1	177.6	0	0	0	0	112.7
179	P	49.3	Very low	48.2	Very low	123 Å²	123	128.3 Å²	128.3	80%	0.799	68%	0.677	S	S	*	*			trans	-74.9	158.3	-177.4	-15.4	31.6	0	0	0	116
180	L	49.3	Very low	49.2	Very low	124 Å²	124	130.6 Å²	130.6	65%	0.649	67%	0.67	S	S	*	*			trans	-105.8	174	-175.2	-72.7	85.5	0	0	0	113.9	D184	L180-D184 HydrophobicContact CB-CB 3.95Å; L180-D184 HydrophobicContact CD2-CB 3.77Å; L180-D184 HydrophobicContact CG-CB 4.49Å
181	T	62	Low	49.9	Very low	86 Å²	86	132.3 Å²	132.3	53%	0.528	66%	0.662	S	S	.	*			trans	-103.9	171.8	-172.9	73.6	0	0	0	0	113.7	E183 D184 I185	T181-E183 VanDerWaalsContact C-N 3.32Å; T181-E183 PolarHBondContact O-N 3.16Å; T181-D184 WeakPolarHBondContact CA-OD2 3.34Å; T181-D184 WeakPolarHBondContact CB-OD2 3.46Å; T181-D184 PolarHBondContact N-OD2 2.92Å; T181-D184 WeakPolarHBondContact O-CA 3.27Å; T181-D184 VanDerWaalsContact O-CB 3.27Å; T181-D184 WeakPolarHBondContact O-CB 3.49Å; T181-D184 PolarHBondContact O-N 3.13Å; T181-D184 PolarHBondContact OG1-OD2 2.92Å; T181-I185 PolarHBondContact O-N 3Å
182	Q	58	Low	51	Low	160 Å²	160	132.1 Å²	132.1	75%	0.748	65%	0.649	S	S	*	*	H	α-helix	trans	-71.6	-21	-171.8	-162.5	156.4	-37.8	0	0	114.7	D184 Q186	Q182-D184 VanDerWaalsContact C-N 3.33Å; Q182-Q186 PolarHBondContact O-N 3.45Å
183	E	56.7	Low	52.7	Low	143 Å²	143	128.6 Å²	128.6	67%	0.668	63%	0.633	S	S	*	*	H	α-helix	trans	-73.5	-27.3	169	-64.5	-176.4	177.5	0	0	111.9	T181 R187	T181-E183 VanDerWaalsContact C-N 3.32Å; T181-E183 PolarHBondContact O-N 3.16Å; E183-R187 WeakPolarHBondContact O-CG 3.5Å; E183-R187 PolarHBondContact O-N 2.94Å
184	D	57.5	Low	53.9	Low	30 Å²	30	129.2 Å²	129.2	16%	0.16	63%	0.625	C	S	.	*	H	α-helix	trans	-72.1	-39.2	173.7	-52.2	-54.4	0	0	0	110.6	L180 T181 Q182 Q186 R187 I188	L180-D184 HydrophobicContact CB-CB 3.95Å; L180-D184 HydrophobicContact CD2-CB 3.77Å; L180-D184 HydrophobicContact CG-CB 4.49Å; T181-D184 WeakPolarHBondContact CA-OD2 3.34Å; T181-D184 WeakPolarHBondContact CB-OD2 3.46Å; T181-D184 PolarHBondContact N-OD2 2.92Å; T181-D184 WeakPolarHBondContact O-CA 3.27Å; T181-D184 VanDerWaalsContact O-CB 3.27Å; T181-D184 WeakPolarHBondContact O-CB 3.49Å; T181-D184 PolarHBondContact O-N 3.13Å; T181-D184 PolarHBondContact OG1-OD2 2.92Å; Q182-D184 VanDerWaalsContact C-N 3.33Å; D184-Q186 VanDerWaalsContact C-N 3.32Å; D184-Q186 PolarHBondContact O-N 2.83Å; D184-R187 CarbonylContact O-C 3.52Å; D184-R187 PolarHBondContact O-N 2.92Å; D184-R187 VanDerWaalsContact O-N 3.08Å; D184-R187 IonicContact OD1-CZ 3.67Å; D184-R187 IonicContact OD1-NE 2.69Å; D184-R187 IonicContact OD1-NH2 2.68Å; D184-R187 PolarHBondContact OD1-NH2 2.61Å; D184-I188 VanDerWaalsContact O-CG1 3.31Å; D184-I188 WeakPolarHBondContact O-CG1 3.47Å; D184-I188 PolarHBondContact O-N 2.85Å
185	I	59.1	Low	55.2	Low	93 Å²	93	124.7 Å²	124.7	48%	0.477	61%	0.607	S	S	.	*	H	α-helix	trans	-57.4	-44.5	174.6	-60.8	175.1	0	0	0	110.8	T181 R187 I188 V189	T181-I185 PolarHBondContact O-N 3Å; I185-R187 VanDerWaalsContact C-N 3.32Å; I185-R187 PolarHBondContact O-N 3.15Å; I185-I188 PolarHBondContact O-N 2.92Å; I185-V189 WeakPolarHBondContact O-CG2 3.41Å; I185-V189 PolarHBondContact O-N 3.36Å
186	Q	58.3	Low	56.8	Low	140 Å²	140	122.8 Å²	122.8	65%	0.654	59%	0.593	S	S	*	*	H	α-helix	trans	-66.6	-32	176.5	-72.5	-171.6	-27.8	0	0	113.3	Q182 D184 W190	Q182-Q186 PolarHBondContact O-N 3.45Å; D184-Q186 VanDerWaalsContact C-N 3.32Å; D184-Q186 PolarHBondContact O-N 2.83Å; Q186-W190 PolarHBondContact O-N 2.94Å
187	R	59.1	Low	58.6	Low	153 Å²	153	120 Å²	120	58%	0.577	58%	0.575	S	S	*	*	H	α-helix	trans	-76.7	-20.4	173.7	-70.8	-173.7	-68.2	-170.7	-0.8	113.8	E183 D184 I185 R191	E183-R187 WeakPolarHBondContact O-CG 3.5Å; E183-R187 PolarHBondContact O-N 2.94Å; D184-R187 CarbonylContact O-C 3.52Å; D184-R187 PolarHBondContact O-N 2.92Å; D184-R187 VanDerWaalsContact O-N 3.08Å; D184-R187 IonicContact OD1-CZ 3.67Å; D184-R187 IonicContact OD1-NE 2.69Å; D184-R187 IonicContact OD1-NH2 2.68Å; D184-R187 PolarHBondContact OD1-NH2 2.61Å; I185-R187 VanDerWaalsContact C-N 3.32Å; I185-R187 PolarHBondContact O-N 3.15Å; R187-R191 WeakPolarHBondContact O-CB 3.24Å
188	I	61.6	Low	60.3	Low	72 Å²	72	118.9 Å²	118.9	37%	0.369	57%	0.566	S	S	.	*	H	α-helix	trans	-76	-52	170.5	-70.5	161.5	0	0	0	109.3	D184 I185 W190 R191 E192	D184-I188 VanDerWaalsContact O-CG1 3.31Å; D184-I188 WeakPolarHBondContact O-CG1 3.47Å; D184-I188 PolarHBondContact O-N 2.85Å; I185-I188 PolarHBondContact O-N 2.92Å; I188-W190 VanDerWaalsContact C-N 3.34Å; I188-W190 PolarHBondContact O-N 2.71Å; I188-R191 CarbonylContact O-C 3.57Å; I188-R191 WeakPolarHBondContact O-CA 3.42Å; I188-R191 WeakPolarHBondContact O-CB 3.37Å; I188-R191 PolarHBondContact O-N 3.11Å; I188-E192 HydrophobicContact CG2-CG 4.22Å; I188-E192 WeakPolarHBondContact CG2-OE1 3.43Å; I188-E192 WeakPolarHBondContact O-CG 3.26Å; I188-E192 PolarHBondContact O-N 3.24Å
189	V	61.1	Low	61.7	Low	74 Å²	74	117.2 Å²	117.2	45%	0.448	55%	0.551	S	S	.	*	H	α-helix	trans	-57.5	-42.8	-180	172.6	0	0	0	0	112.5	I185 R191 E192 E193	I185-V189 WeakPolarHBondContact O-CG2 3.41Å; I185-V189 PolarHBondContact O-N 3.36Å; V189-R191 PolarHBondContact O-N 3.21Å; V189-E192 PolarHBondContact O-N 3.24Å; V189-E193 PolarHBondContact O-N 3.34Å
190	W	59.3	Low	63.1	Low	186 Å²	186	115.2 Å²	115.2	71%	0.705	53%	0.531	S	S	*	.	H	α-helix	trans	-65.3	-26.1	174.6	-99.3	95	0	0	0	113.9	Q186 I188	Q186-W190 PolarHBondContact O-N 2.94Å; I188-W190 VanDerWaalsContact C-N 3.34Å; I188-W190 PolarHBondContact O-N 2.71Å
191	R	57.6	Low	64.4	Low	149 Å²	149	117.8 Å²	117.8	56%	0.562	53%	0.532	S	S	*	.	H	α-helix	trans	-79.9	-42.7	176	-165.6	-173.5	-55.7	177.2	4	111	R187 I188 V189 E193 E194 E195	R187-R191 WeakPolarHBondContact O-CB 3.24Å; I188-R191 CarbonylContact O-C 3.57Å; I188-R191 WeakPolarHBondContact O-CA 3.42Å; I188-R191 WeakPolarHBondContact O-CB 3.37Å; I188-R191 PolarHBondContact O-N 3.11Å; V189-R191 PolarHBondContact O-N 3.21Å; R191-E193 PolarHBondContact O-N 3.37Å; R191-E194 PolarHBondContact O-N 3.5Å; R191-E195 WeakPolarHBondContact CD-OE1 3.4Å; R191-E195 HydrophobicContact CG-CG 4.21Å; R191-E195 VanDerWaalsContact CG-OE1 3.26Å; R191-E195 WeakPolarHBondContact CG-OE1 3.04Å; R191-E195 WeakPolarHBondContact O-CB 3.5Å; R191-E195 WeakPolarHBondContact O-CG 3.36Å; R191-E195 PolarHBondContact O-N 3.19Å
192	E	61.8	Low	65	Low	108 Å²	108	118.9 Å²	118.9	51%	0.505	53%	0.534	S	S	.	.	H	α-helix	trans	-58.4	-36.6	173.9	-68.3	171.5	159.6	0	0	111.3	I188 V189 H196	I188-E192 HydrophobicContact CG2-CG 4.22Å; I188-E192 WeakPolarHBondContact CG2-OE1 3.43Å; I188-E192 WeakPolarHBondContact O-CG 3.26Å; I188-E192 PolarHBondContact O-N 3.24Å; V189-E192 PolarHBondContact O-N 3.24Å; E192-H196 VanDerWaalsContact O-CB 3.25Å; E192-H196 WeakPolarHBondContact O-CB 3.46Å; E192-H196 PolarHBondContact O-N 3.05Å
193	E	68.4	Low	65.9	Low	106 Å²	106	118.1 Å²	118.1	50%	0.495	52%	0.524	S	S	.	.	H	α-helix	trans	-71.1	-22.3	174.5	-102.6	-153.2	-153.2	0	0	115.4	V189 R191 R197	V189-E193 PolarHBondContact O-N 3.34Å; R191-E193 PolarHBondContact O-N 3.37Å; E193-R197 PolarHBondContact O-NE 3.34Å; E193-R197 PolarHBondContact O-NH2 3.03Å; E193-R197 IonicContact OE2-CZ 2.73Å; E193-R197 IonicContact OE2-NH2 3.41Å; E193-R197 PolarHBondContact OE2-NH2 2.96Å
194	E	67.5	Low	67	Low	130 Å²	130	119 Å²	119	61%	0.607	52%	0.522	S	S	*	.	H	α-helix	trans	-86.1	-47.6	170.4	-87.1	-98.8	100.8	0	0	110.2	R191 H196 R197 E198	R191-E194 PolarHBondContact O-N 3.5Å; E194-H196 PolarHBondContact O-N 3.05Å; E194-R197 CarbonylContact O-C 3.56Å; E194-R197 WeakPolarHBondContact O-CA 3.43Å; E194-R197 VanDerWaalsContact O-CB 3.27Å; E194-R197 WeakPolarHBondContact O-CB 3.5Å; E194-R197 PolarHBondContact O-N 2.88Å; E194-E198 PolarHBondContact O-N 2.71Å
195	E	63.3	Low	68.2	Low	113 Å²	113	125 Å²	125	53%	0.528	55%	0.546	S	S	.	.	H	α-helix	trans	-58	-45.6	179.1	-74.7	176.9	-170.1	0	0	111.1	R191 R197 E198 E199	R191-E195 WeakPolarHBondContact CD-OE1 3.4Å; R191-E195 HydrophobicContact CG-CG 4.21Å; R191-E195 VanDerWaalsContact CG-OE1 3.26Å; R191-E195 WeakPolarHBondContact CG-OE1 3.04Å; R191-E195 WeakPolarHBondContact O-CB 3.5Å; R191-E195 WeakPolarHBondContact O-CG 3.36Å; R191-E195 PolarHBondContact O-N 3.19Å; E195-R197 VanDerWaalsContact C-N 3.27Å; E195-R197 PolarHBondContact O-N 2.94Å; E195-E198 PolarHBondContact O-N 2.93Å; E195-E199 WeakPolarHBondContact O-CB 3.21Å; E195-E199 PolarHBondContact O-N 3.19Å
196	H	68.3	Low	69.1	Low	121 Å²	121	123.4 Å²	123.4	56%	0.56	54%	0.539	S	S	*	.	H	α-helix	trans	-62.6	-32.5	174.4	-172.9	-77.8	0	0	0	112.6	E192 E194 E200	E192-H196 VanDerWaalsContact O-CB 3.25Å; E192-H196 WeakPolarHBondContact O-CB 3.46Å; E192-H196 PolarHBondContact O-N 3.05Å; E194-H196 PolarHBondContact O-N 3.05Å; H196-E200 WeakPolarHBondContact O-CB 3.15Å; H196-E200 PolarHBondContact O-N 3.1Å
197	R	71.4	Confident	70.3	Confident	124 Å²	124	122.8 Å²	122.8	47%	0.468	54%	0.536	S	S	.	.	H	α-helix	trans	-73.8	-35.7	178.1	-128.5	174.7	-61	-141.6	-4.9	112	E193 E194 E195 R201	E193-R197 PolarHBondContact O-NE 3.34Å; E193-R197 PolarHBondContact O-NH2 3.03Å; E193-R197 IonicContact OE2-CZ 2.73Å; E193-R197 IonicContact OE2-NH2 3.41Å; E193-R197 PolarHBondContact OE2-NH2 2.96Å; E194-R197 CarbonylContact O-C 3.56Å; E194-R197 WeakPolarHBondContact O-CA 3.43Å; E194-R197 VanDerWaalsContact O-CB 3.27Å; E194-R197 WeakPolarHBondContact O-CB 3.5Å; E194-R197 PolarHBondContact O-N 2.88Å; E195-R197 VanDerWaalsContact C-N 3.27Å; E195-R197 PolarHBondContact O-N 2.94Å; R197-R201 WeakPolarHBondContact O-CG 3.4Å; R197-R201 PolarHBondContact O-N 3.43Å
198	E	72.5	Confident	71.4	Confident	141 Å²	141	117.9 Å²	117.9	66%	0.659	53%	0.528	S	S	*	.	H	α-helix	trans	-76.3	-36.9	172.8	-172.4	159.1	-127.2	0	0	111.7	E194 E195 E200 R201 L202	E194-E198 PolarHBondContact O-N 2.71Å; E195-E198 PolarHBondContact O-N 2.93Å; E198-E200 PolarHBondContact O-N 2.81Å; E198-R201 CarbonylContact O-C 3.52Å; E198-R201 WeakPolarHBondContact O-CB 3.48Å; E198-R201 PolarHBondContact O-N 3.4Å; E198-L202 WeakPolarHBondContact O-CB 3.5Å; E198-L202 PolarHBondContact O-N 2.86Å
199	E	74.8	Confident	72.3	Confident	85 Å²	85	121.3 Å²	121.3	40%	0.397	54%	0.536	S	S	.	.	H	α-helix	trans	-63.1	-41.4	175	-149.8	-147.2	147.7	0	0	111.2	E195 R201 L202 R203	E195-E199 WeakPolarHBondContact O-CB 3.21Å; E195-E199 PolarHBondContact O-N 3.19Å; E199-R201 VanDerWaalsContact C-N 3.34Å; E199-R201 PolarHBondContact O-N 3.11Å; E199-L202 WeakPolarHBondContact O-CB 3.32Å; E199-L202 PolarHBondContact O-N 3.1Å; E199-L202 VanDerWaalsContact O-N 3.13Å; E199-R203 VanDerWaalsContact CD-NH2 3.25Å; E199-R203 WeakPolarHBondContact O-CB 3.02Å; E199-R203 VanDerWaalsContact O-CG 3.31Å; E199-R203 WeakPolarHBondContact O-CG 3.24Å; E199-R203 PolarHBondContact O-N 2.97Å; E199-R203 IonicContact OE1-CZ 3.67Å; E199-R203 IonicContact OE1-NE 2.77Å; E199-R203 PolarHBondContact OE1-NE 2.88Å; E199-R203 IonicContact OE1-NH2 3.9Å; E199-R203 PolarHBondContact OE1-NH2 2.61Å; E199-R203 IonicContact OE2-CZ 3.7Å; E199-R203 IonicContact OE2-NE 2.72Å; E199-R203 IonicContact OE2-NH2 2.69Å; E199-R203 PolarHBondContact OE2-NH2 2.95Å; E199-R203 VanDerWaalsContact OE2-NH2 3.13Å
200	E	76.8	Confident	73.4	Confident	82 Å²	82	123.5 Å²	123.5	38%	0.383	54%	0.54	S	S	.	.	H	α-helix	trans	-63.3	-39.8	174.6	-153.4	-150.7	143.2	0	0	111.9	H196 E198 L202 R203 R204	H196-E200 WeakPolarHBondContact O-CB 3.15Å; H196-E200 PolarHBondContact O-N 3.1Å; E198-E200 PolarHBondContact O-N 2.81Å; E200-L202 VanDerWaalsContact C-N 3.32Å; E200-L202 PolarHBondContact O-N 2.85Å; E200-R203 PolarHBondContact O-N 2.97Å; E200-R204 VanDerWaalsContact O-CG 3.31Å; E200-R204 WeakPolarHBondContact O-CG 3.21Å; E200-R204 PolarHBondContact O-N 2.77Å; E200-R204 IonicContact OE1-CZ 2.76Å; E200-R204 IonicContact OE1-NE 2.75Å; E200-R204 PolarHBondContact OE1-NE 2.85Å; E200-R204 IonicContact OE1-NH2 3.37Å; E200-R204 PolarHBondContact OE1-NH2 3Å
201	R	76.6	Confident	74.6	Confident	178 Å²	178	121 Å²	121	67%	0.672	53%	0.534	S	S	*	.	H	α-helix	trans	-63.8	-36.5	172.4	-76.2	171.7	163.7	-177.7	-2.1	112.1	R197 E198 E199 K205	R197-R201 WeakPolarHBondContact O-CG 3.4Å; R197-R201 PolarHBondContact O-N 3.43Å; E198-R201 CarbonylContact O-C 3.52Å; E198-R201 WeakPolarHBondContact O-CB 3.48Å; E198-R201 PolarHBondContact O-N 3.4Å; E199-R201 VanDerWaalsContact C-N 3.34Å; E199-R201 PolarHBondContact O-N 3.11Å; R201-K205 WeakPolarHBondContact O-CG 3.49Å; R201-K205 PolarHBondContact O-N 2.95Å; R201-K205 VanDerWaalsContact O-N 3.11Å
202	L	76.1	Confident	75.9	Confident	109 Å²	109	123 Å²	123	57%	0.571	54%	0.541	S	S	*	.	H	α-helix	trans	-70.5	-45.8	177.6	-170	64.9	0	0	0	111	E198 E199 E200 R204 K205 D206	E198-L202 WeakPolarHBondContact O-CB 3.5Å; E198-L202 PolarHBondContact O-N 2.86Å; E199-L202 WeakPolarHBondContact O-CB 3.32Å; E199-L202 PolarHBondContact O-N 3.1Å; E199-L202 VanDerWaalsContact O-N 3.13Å; E200-L202 VanDerWaalsContact C-N 3.32Å; E200-L202 PolarHBondContact O-N 2.85Å; L202-R204 PolarHBondContact O-N 2.03Å; L202-K205 WeakPolarHBondContact O-CB 3.49Å; L202-K205 PolarHBondContact O-N 3.49Å; L202-K205 VanDerWaalsContact O-N 3.14Å; L202-D206 WeakPolarHBondContact O-CB 3.43Å; L202-D206 PolarHBondContact O-N 3.29Å
203	R	76.8	Confident	76.8	Confident	144 Å²	144	125.5 Å²	125.5	54%	0.543	55%	0.546	S	S	.	.	H	α-helix	trans	-55.3	-49.9	174.1	-71.6	175.1	-176.1	-164.6	10.1	111.2	E199 E200 K205 D206 E207	E199-R203 VanDerWaalsContact CD-NH2 3.25Å; E199-R203 WeakPolarHBondContact O-CB 3.02Å; E199-R203 VanDerWaalsContact O-CG 3.31Å; E199-R203 WeakPolarHBondContact O-CG 3.24Å; E199-R203 PolarHBondContact O-N 2.97Å; E199-R203 IonicContact OE1-CZ 3.67Å; E199-R203 IonicContact OE1-NE 2.77Å; E199-R203 PolarHBondContact OE1-NE 2.88Å; E199-R203 IonicContact OE1-NH2 3.9Å; E199-R203 PolarHBondContact OE1-NH2 2.61Å; E199-R203 IonicContact OE2-CZ 3.7Å; E199-R203 IonicContact OE2-NE 2.72Å; E199-R203 IonicContact OE2-NH2 2.69Å; E199-R203 PolarHBondContact OE2-NH2 2.95Å; E199-R203 VanDerWaalsContact OE2-NH2 3.13Å; E200-R203 PolarHBondContact O-N 2.97Å; R203-K205 VanDerWaalsContact C-N 3.35Å; R203-K205 PolarHBondContact O-N 3.15Å; R203-D206 PolarHBondContact O-N 2.86Å; R203-D206 VanDerWaalsContact O-N 3.12Å; R203-E207 WeakPolarHBondContact O-CG 3.4Å; R203-E207 PolarHBondContact O-N 3.49Å
204	R	80.4	Confident	77.6	Confident	162 Å²	162	129 Å²	129	61%	0.611	56%	0.555	S	S	*	*	H	α-helix	trans	-60.1	-38.3	175.8	-69.5	173.4	-177.3	-137.8	9.4	113.1	E200 L202 A208	E200-R204 VanDerWaalsContact O-CG 3.31Å; E200-R204 WeakPolarHBondContact O-CG 3.21Å; E200-R204 PolarHBondContact O-N 2.77Å; E200-R204 IonicContact OE1-CZ 2.76Å; E200-R204 IonicContact OE1-NE 2.75Å; E200-R204 PolarHBondContact OE1-NE 2.85Å; E200-R204 IonicContact OE1-NH2 3.37Å; E200-R204 PolarHBondContact OE1-NH2 3Å; L202-R204 PolarHBondContact O-N 2.03Å; R204-A208 PolarHBondContact O-N 2.87Å
205	K	81	Confident	78.5	Confident	154 Å²	154	126.6 Å²	126.6	67%	0.67	54%	0.544	S	S	*	.	H	α-helix	trans	-65.8	-41.4	173.4	-80	175.4	178.2	174.5	0	111.9	R201 L202 R203 A208 R209	R201-K205 WeakPolarHBondContact O-CG 3.49Å; R201-K205 PolarHBondContact O-N 2.95Å; R201-K205 VanDerWaalsContact O-N 3.11Å; L202-K205 WeakPolarHBondContact O-CB 3.49Å; L202-K205 PolarHBondContact O-N 3.49Å; L202-K205 VanDerWaalsContact O-N 3.14Å; R203-K205 VanDerWaalsContact C-N 3.35Å; R203-K205 PolarHBondContact O-N 3.15Å; K205-A208 PolarHBondContact O-N 3.26Å; K205-R209 WeakPolarHBondContact O-CB 3.27Å; K205-R209 PolarHBondContact O-N 3.24Å
206	D	78.4	Confident	79.5	Confident	61 Å²	61	129 Å²	129	33%	0.326	55%	0.548	S	S	.	.	H	α-helix	trans	-77.4	-29.4	-175.5	-143.1	53.2	0	0	0	112.1	L202 R203 R209 K210	L202-D206 WeakPolarHBondContact O-CB 3.43Å; L202-D206 PolarHBondContact O-N 3.29Å; R203-D206 PolarHBondContact O-N 2.86Å; R203-D206 VanDerWaalsContact O-N 3.12Å; D206-R209 PolarHBondContact O-N 3.37Å; D206-R209 IonicContact OD1-NH1 2.73Å; D206-K210 WeakPolarHBondContact O-CB 3.34Å; D206-K210 WeakPolarHBondContact O-CD 3.46Å; D206-K210 WeakPolarHBondContact O-CG 3.34Å; D206-K210 PolarHBondContact O-N 3.42Å; D206-K210 WeakPolarHBondContact OD2-CE 3.45Å; D206-K210 IonicContact OD2-NZ 3.12Å
207	E	83.5	Confident	80.3	Confident	126 Å²	126	130.6 Å²	130.6	59%	0.589	55%	0.553	S	S	*	*	H	α-helix	trans	-61.4	-47.1	164.5	-74.5	178.3	164.8	0	0	112.1	R203 R209 K210 K211	R203-E207 WeakPolarHBondContact O-CG 3.4Å; R203-E207 PolarHBondContact O-N 3.49Å; E207-R209 VanDerWaalsContact C-N 3.27Å; E207-R209 PolarHBondContact O-N 2.95Å; E207-K210 PolarHBondContact O-N 3Å; E207-K211 PolarHBondContact O-N 3.13Å
208	A	82.7	Confident	81.2	Confident	51 Å²	51	129 Å²	129	42%	0.421	55%	0.551	S	S	.	*	H	α-helix	trans	-61.3	-36	174.5	0	0	0	0	0	112.1	R204 K205 R212	R204-A208 PolarHBondContact O-N 2.87Å; K205-A208 PolarHBondContact O-N 3.26Å; A208-R212 WeakPolarHBondContact O-CG 3.09Å; A208-R212 PolarHBondContact O-N 3.07Å
209	R	80.4	Confident	81.7	Confident	143 Å²	143	131 Å²	131	54%	0.54	55%	0.553	S	S	.	*	H	α-helix	trans	-69	-40.3	174.6	-165.2	-178	-171.2	-169.4	4.8	112.2	K205 D206 E207 R213	K205-R209 WeakPolarHBondContact O-CB 3.27Å; K205-R209 PolarHBondContact O-N 3.24Å; D206-R209 PolarHBondContact O-N 3.37Å; D206-R209 IonicContact OD1-NH1 2.73Å; E207-R209 VanDerWaalsContact C-N 3.27Å; E207-R209 PolarHBondContact O-N 2.95Å; R209-R213 WeakPolarHBondContact O-CB 3.38Å; R209-R213 WeakPolarHBondContact O-CG 3.49Å; R209-R213 PolarHBondContact O-N 3.43Å
210	K	83.1	Confident	82.3	Confident	120 Å²	120	130.3 Å²	130.3	52%	0.522	55%	0.55	S	S	.	.	H	α-helix	trans	-64.2	-42.3	173.4	-74.7	164	-172.9	171.9	0	111.1	D206 E207 R213 R214	D206-K210 WeakPolarHBondContact O-CB 3.34Å; D206-K210 WeakPolarHBondContact O-CD 3.46Å; D206-K210 WeakPolarHBondContact O-CG 3.34Å; D206-K210 PolarHBondContact O-N 3.42Å; D206-K210 WeakPolarHBondContact OD2-CE 3.45Å; D206-K210 IonicContact OD2-NZ 3.12Å; E207-K210 PolarHBondContact O-N 3Å; K210-R213 PolarHBondContact O-N 3.38Å; K210-R214 PolarHBondContact O-N 3.32Å
211	K	85.3	Confident	82.7	Confident	135 Å²	135	131 Å²	131	59%	0.587	55%	0.553	S	S	*	*	H	α-helix	trans	-60.6	-52.1	175.3	-166.5	-176.5	-175.5	-162.6	0	111.6	E207 R213 R214 E215	E207-K211 PolarHBondContact O-N 3.13Å; K211-R213 PolarHBondContact O-N 2.87Å; K211-R214 WeakPolarHBondContact O-CB 3.41Å; K211-R214 PolarHBondContact O-N 2.83Å; K211-E215 WeakPolarHBondContact CE-OE1 3.4Å; K211-E215 HydrophobicContact CG-CG 4.45Å; K211-E215 IonicContact NZ-OE1 3.14Å; K211-E215 WeakPolarHBondContact O-CG 3.46Å; K211-E215 PolarHBondContact O-N 2.82Å
212	R	84.5	Confident	83.2	Confident	189 Å²	189	130.3 Å²	130.3	71%	0.713	55%	0.55	S	S	*	*	H	α-helix	trans	-59.7	-31.8	176.2	-71.4	-178.8	-177.6	-149	0.8	113.3	A208 R216	A208-R212 WeakPolarHBondContact O-CG 3.09Å; A208-R212 PolarHBondContact O-N 3.07Å; R212-R216 VanDerWaalsContact O-CB 3.29Å; R212-R216 WeakPolarHBondContact O-CB 3.06Å; R212-R216 PolarHBondContact O-N 2.84Å
213	R	80.9	Confident	83.5	Confident	161 Å²	161	131.3 Å²	131.3	61%	0.608	55%	0.552	S	S	*	*	H	α-helix	trans	-69.3	-37.9	173.2	-82.9	177	163.2	-177.7	-7.5	112.9	R209 K210 K211 K217	R209-R213 WeakPolarHBondContact O-CB 3.38Å; R209-R213 WeakPolarHBondContact O-CG 3.49Å; R209-R213 PolarHBondContact O-N 3.43Å; K210-R213 PolarHBondContact O-N 3.38Å; K211-R213 PolarHBondContact O-N 2.87Å; R213-K217 PolarHBondContact O-N 2.91Å
214	R	85	Confident	84	Confident	181 Å²	181	133 Å²	133	68%	0.683	56%	0.558	S	S	*	*	H	α-helix	trans	-66.3	-51.7	172.6	-70.9	179.7	177.2	176.2	-2.4	111.2	K210 K211 R216 K217 E218	K210-R214 PolarHBondContact O-N 3.32Å; K211-R214 WeakPolarHBondContact O-CB 3.41Å; K211-R214 PolarHBondContact O-N 2.83Å; R214-R216 PolarHBondContact O-N 2.9Å; R214-R216 VanDerWaalsContact O-N 3.16Å; R214-K217 PolarHBondContact O-N 2.97Å; R214-E218 WeakPolarHBondContact O-CG 3.48Å; R214-E218 PolarHBondContact O-N 3.49Å
215	E	86.7	Confident	84.5	Confident	79 Å²	79	131 Å²	131	37%	0.369	55%	0.554	S	S	.	*	H	α-helix	trans	-56.4	-33	176.9	-68.1	166.9	171	0	0	112.7	K211 R219	K211-E215 WeakPolarHBondContact CE-OE1 3.4Å; K211-E215 HydrophobicContact CG-CG 4.45Å; K211-E215 IonicContact NZ-OE1 3.14Å; K211-E215 WeakPolarHBondContact O-CG 3.46Å; K211-E215 PolarHBondContact O-N 2.82Å; E215-R219 VanDerWaalsContact O-CG 3.32Å; E215-R219 WeakPolarHBondContact O-CG 3.48Å; E215-R219 PolarHBondContact O-N 2.89Å
216	R	84.9	Confident	85	Confident	162 Å²	162	129.7 Å²	129.7	61%	0.611	55%	0.552	S	S	*	*	H	α-helix	trans	-73.2	-49.7	172.8	-180	174	166.8	157.1	4.7	112.1	R212 R214 E218 R219 E220	R212-R216 VanDerWaalsContact O-CB 3.29Å; R212-R216 WeakPolarHBondContact O-CB 3.06Å; R212-R216 PolarHBondContact O-N 2.84Å; R214-R216 PolarHBondContact O-N 2.9Å; R214-R216 VanDerWaalsContact O-N 3.16Å; R216-E218 VanDerWaalsContact C-N 3.32Å; R216-E218 PolarHBondContact O-N 3.1Å; R216-R219 WeakPolarHBondContact O-CB 3.47Å; R216-R219 PolarHBondContact O-N 3.46Å; R216-E220 HydrophobicContact CG-CG 4.37Å; R216-E220 IonicContact CZ-OE1 3.14Å; R216-E220 IonicContact NE-OE1 2.85Å; R216-E220 PolarHBondContact NE-OE1 2.88Å; R216-E220 IonicContact NE-OE2 3.29Å; R216-E220 IonicContact NH2-OE1 3.71Å; R216-E220 PolarHBondContact NH2-OE1 3.27Å; R216-E220 WeakPolarHBondContact O-CG 3.3Å; R216-E220 PolarHBondContact O-N 3.25Å
217	K	84.8	Confident	85.4	Confident	155 Å²	155	133.8 Å²	133.8	67%	0.674	57%	0.567	S	S	*	*	H	α-helix	trans	-56.9	-43.7	176.8	-84.2	-160.7	166.7	-153.5	0	112.1	R213 R214 R219 E220 E221	R213-K217 PolarHBondContact O-N 2.91Å; R214-K217 PolarHBondContact O-N 2.97Å; K217-R219 VanDerWaalsContact C-N 3.25Å; K217-R219 PolarHBondContact O-N 2.84Å; K217-E220 PolarHBondContact O-N 2.91Å; K217-E221 VanDerWaalsContact O-CB 3.31Å; K217-E221 WeakPolarHBondContact O-CB 3.42Å; K217-E221 PolarHBondContact O-N 3.13Å
218	E	89.7	Confident	85.5	Confident	92 Å²	92	131.7 Å²	131.7	43%	0.43	56%	0.557	S	S	.	*	H	α-helix	trans	-62.1	-29.9	177.1	-72.6	172.9	-139.5	0	0	113.1	R214 R216 R222	R214-E218 WeakPolarHBondContact O-CG 3.48Å; R214-E218 PolarHBondContact O-N 3.49Å; R216-E218 VanDerWaalsContact C-N 3.32Å; R216-E218 PolarHBondContact O-N 3.1Å; E218-R222 WeakPolarHBondContact O-CD 3.37Å; E218-R222 WeakPolarHBondContact O-CG 3.19Å; E218-R222 PolarHBondContact O-N 2.77Å; E218-R222 PolarHBondContact O-NE 2.87Å; E218-R222 IonicContact OE2-NH2 3.63Å
219	R	83.9	Confident	85.8	Confident	183 Å²	183	135.1 Å²	135.1	69%	0.691	56%	0.564	S	S	*	*	H	α-helix	trans	-76.3	-44.8	173.9	-72.4	173	-177.8	-149.7	-0.6	111.5	E215 R216 K217 E221 R222 Q223	E215-R219 VanDerWaalsContact O-CG 3.32Å; E215-R219 WeakPolarHBondContact O-CG 3.48Å; E215-R219 PolarHBondContact O-N 2.89Å; R216-R219 WeakPolarHBondContact O-CB 3.47Å; R216-R219 PolarHBondContact O-N 3.46Å; K217-R219 VanDerWaalsContact C-N 3.25Å; K217-R219 PolarHBondContact O-N 2.84Å; R219-E221 VanDerWaalsContact C-N 3.31Å; R219-E221 PolarHBondContact O-N 3.25Å; R219-R222 PolarHBondContact O-N 2.57Å; R219-Q223 WeakPolarHBondContact O-CG 3.42Å; R219-Q223 PolarHBondContact O-N 2.86Å
220	E	86.1	Confident	86.2	Confident	70 Å²	70	133.5 Å²	133.5	33%	0.327	56%	0.561	S	S	.	*	H	α-helix	trans	-62.8	-38.5	177.5	-69.6	169	152	0	0	111.2	R216 K217 Q223 R224	R216-E220 HydrophobicContact CG-CG 4.37Å; R216-E220 IonicContact CZ-OE1 3.14Å; R216-E220 IonicContact NE-OE1 2.85Å; R216-E220 PolarHBondContact NE-OE1 2.88Å; R216-E220 IonicContact NE-OE2 3.29Å; R216-E220 IonicContact NH2-OE1 3.71Å; R216-E220 PolarHBondContact NH2-OE1 3.27Å; R216-E220 WeakPolarHBondContact O-CG 3.3Å; R216-E220 PolarHBondContact O-N 3.25Å; K217-E220 PolarHBondContact O-N 2.91Å; E220-Q223 PolarHBondContact O-N 2.97Å; E220-R224 WeakPolarHBondContact O-CG 3.31Å; E220-R224 PolarHBondContact O-N 3.2Å
221	E	86.8	Confident	86.4	Confident	97 Å²	97	133.4 Å²	133.4	45%	0.453	56%	0.558	S	S	.	*	H	α-helix	trans	-66.9	-42.7	174.7	-167.5	-164.8	136.9	0	0	112.5	K217 R219 Q223 R224 K225	K217-E221 VanDerWaalsContact O-CB 3.31Å; K217-E221 WeakPolarHBondContact O-CB 3.42Å; K217-E221 PolarHBondContact O-N 3.13Å; R219-E221 VanDerWaalsContact C-N 3.31Å; R219-E221 PolarHBondContact O-N 3.25Å; E221-Q223 VanDerWaalsContact C-N 3.33Å; E221-Q223 PolarHBondContact O-N 3.27Å; E221-R224 PolarHBondContact O-N 2.94Å; E221-K225 HydrophobicContact CG-CD 4.44Å; E221-K225 WeakPolarHBondContact O-CG 3.37Å; E221-K225 PolarHBondContact O-N 3.44Å; E221-K225 IonicContact OE1-NZ 3.51Å; E221-K225 PolarHBondContact OE1-NZ 3.39Å
222	R	87.1	Confident	86.7	Confident	163 Å²	163	133.9 Å²	133.9	62%	0.615	56%	0.556	S	S	*	*	H	α-helix	trans	-63.5	-38.6	173.9	-72.7	171.8	-156.3	-154.1	7	112	E218 R219 K225 M226	E218-R222 WeakPolarHBondContact O-CD 3.37Å; E218-R222 WeakPolarHBondContact O-CG 3.19Å; E218-R222 PolarHBondContact O-N 2.77Å; E218-R222 PolarHBondContact O-NE 2.87Å; E218-R222 IonicContact OE2-NH2 3.63Å; R219-R222 PolarHBondContact O-N 2.57Å; R222-K225 PolarHBondContact O-N 3.28Å; R222-M226 PolarHBondContact O-N 3.09Å
223	Q	81.3	Confident	87	Confident	129 Å²	129	131 Å²	131	60%	0.603	55%	0.551	S	S	*	*	H	α-helix	trans	-67.7	-41.2	175.3	-73.1	-178.2	-61.6	0	0	112	R219 E220 E221 F227	R219-Q223 WeakPolarHBondContact O-CG 3.42Å; R219-Q223 PolarHBondContact O-N 2.86Å; E220-Q223 PolarHBondContact O-N 2.97Å; E221-Q223 VanDerWaalsContact C-N 3.33Å; E221-Q223 PolarHBondContact O-N 3.27Å; Q223-F227 WeakPolarHBondContact O-CB 3.46Å; Q223-F227 PolarHBondContact O-N 3.24Å
224	R	88.2	Confident	87.4	Confident	181 Å²	181	128.3 Å²	128.3	68%	0.683	55%	0.545	S	S	*	.	H	α-helix	trans	-57.9	-46.8	171.5	-78.8	-178.7	172.1	-155.7	-5.6	111.5	E220 E221 F227 E228	E220-R224 WeakPolarHBondContact O-CG 3.31Å; E220-R224 PolarHBondContact O-N 3.2Å; E221-R224 PolarHBondContact O-N 2.94Å; R224-F227 PolarHBondContact O-N 3.39Å; R224-E228 WeakPolarHBondContact O-CB 3.04Å; R224-E228 PolarHBondContact O-N 3.33Å
225	K	90.6	Very high	87.5	Confident	118 Å²	118	124.4 Å²	124.4	51%	0.513	53%	0.534	S	S	.	.	H	α-helix	trans	-61.5	-47.1	179.5	-76.6	172.6	173.7	171.5	0	112.9	E221 R222 F227 E228 E229	E221-K225 HydrophobicContact CG-CD 4.44Å; E221-K225 WeakPolarHBondContact O-CG 3.37Å; E221-K225 PolarHBondContact O-N 3.44Å; E221-K225 IonicContact OE1-NZ 3.51Å; E221-K225 PolarHBondContact OE1-NZ 3.39Å; R222-K225 PolarHBondContact O-N 3.28Å; K225-F227 VanDerWaalsContact C-N 3.3Å; K225-F227 PolarHBondContact O-N 2.95Å; K225-E228 PolarHBondContact O-N 2.87Å; K225-E229 VanDerWaalsContact O-CB 3.22Å; K225-E229 WeakPolarHBondContact O-CB 3.27Å; K225-E229 PolarHBondContact O-N 3.22Å
226	M	90.3	Very high	87.8	Confident	127 Å²	127	127 Å²	127	63%	0.626	55%	0.546	S	S	*	.	H	α-helix	trans	-64.8	-32.3	175.1	-65.4	-167	-39.1	0	0	113.2	R222 K230	R222-M226 PolarHBondContact O-N 3.09Å; M226-K230 VanDerWaalsContact O-CB 3.32Å; M226-K230 WeakPolarHBondContact O-CB 3.28Å; M226-K230 PolarHBondContact O-N 2.96Å
227	F	87.4	Confident	88.1	Confident	148 Å²	148	122 Å²	122	65%	0.649	54%	0.54	S	S	*	.	H	α-helix	trans	-71.9	-40.6	176.5	-175.9	-99.1	0	0	0	111.9	Q223 R224 K225 R231	Q223-F227 WeakPolarHBondContact O-CB 3.46Å; Q223-F227 PolarHBondContact O-N 3.24Å; R224-F227 PolarHBondContact O-N 3.39Å; K225-F227 VanDerWaalsContact C-N 3.3Å; K225-F227 PolarHBondContact O-N 2.95Å; F227-R231 WeakPolarHBondContact O-CB 3.01Å; F227-R231 PolarHBondContact O-N 2.95Å
228	E	84.9	Confident	88.4	Confident	81 Å²	81	119.7 Å²	119.7	38%	0.379	53%	0.534	S	S	.	.	H	α-helix	trans	-68.1	-40.6	175.7	-164.2	-166.8	145.3	0	0	112	R224 K225 R231 R232	R224-E228 WeakPolarHBondContact O-CB 3.04Å; R224-E228 PolarHBondContact O-N 3.33Å; K225-E228 PolarHBondContact O-N 2.87Å; E228-R231 PolarHBondContact O-N 2.97Å; E228-R232 WeakPolarHBondContact O-CG 3.34Å; E228-R232 PolarHBondContact O-N 2.9Å; E228-R232 IonicContact OE1-CZ 2.83Å; E228-R232 IonicContact OE1-NE 3.17Å; E228-R232 PolarHBondContact OE1-NE 3.29Å; E228-R232 IonicContact OE1-NH2 2.76Å; E228-R232 PolarHBondContact OE1-NH2 3.43Å
229	E	90.5	Very high	88.4	Confident	124 Å²	124	122.9 Å²	122.9	58%	0.579	54%	0.542	S	S	*	.	H	α-helix	trans	-58.8	-50.9	173	-172.8	166.4	-144.5	0	0	110.7	K225 R231 R232 E233	K225-E229 VanDerWaalsContact O-CB 3.22Å; K225-E229 WeakPolarHBondContact O-CB 3.27Å; K225-E229 PolarHBondContact O-N 3.22Å; E229-R231 VanDerWaalsContact C-N 3.31Å; E229-R231 PolarHBondContact O-N 2.93Å; E229-R232 WeakPolarHBondContact O-CB 3.24Å; E229-R232 PolarHBondContact O-N 3.42Å; E229-R232 VanDerWaalsContact O-N 3.12Å; E229-E233 PolarHBondContact O-N 3.44Å
230	K	88.1	Confident	88.8	Confident	108 Å²	108	118.8 Å²	118.8	47%	0.47	53%	0.534	S	S	.	.	H	α-helix	trans	-60.3	-36.9	174.1	-174.3	171.4	-174.6	-73.6	0	113.1	M226 R232 E233 E234	M226-K230 VanDerWaalsContact O-CB 3.32Å; M226-K230 WeakPolarHBondContact O-CB 3.28Å; M226-K230 PolarHBondContact O-N 2.96Å; K230-R232 VanDerWaalsContact C-N 3.34Å; K230-E233 PolarHBondContact O-N 2.88Å; K230-E234 IonicContact NZ-OE1 3.73Å; K230-E234 PolarHBondContact NZ-OE1 3.4Å; K230-E234 WeakPolarHBondContact O-CG 3.17Å; K230-E234 PolarHBondContact O-N 3.42Å
231	R	88.4	Confident	88.9	Confident	119 Å²	119	120.5 Å²	120.5	45%	0.449	54%	0.541	S	S	.	.	H	α-helix	trans	-67.7	-35.5	176.8	-153.5	-170.5	78.6	-144.9	-5.5	111.7	F227 E228 E229 E234 E235	F227-R231 WeakPolarHBondContact O-CB 3.01Å; F227-R231 PolarHBondContact O-N 2.95Å; E228-R231 PolarHBondContact O-N 2.97Å; E229-R231 VanDerWaalsContact C-N 3.31Å; E229-R231 PolarHBondContact O-N 2.93Å; R231-E234 PolarHBondContact O-N 3.19Å; R231-E235 IonicContact CZ-OE1 2.76Å; R231-E235 IonicContact NE-OE1 3.84Å; R231-E235 PolarHBondContact NE-OE1 2.88Å; R231-E235 IonicContact NH2-OE1 3.64Å; R231-E235 PolarHBondContact NH2-OE1 2.95Å; R231-E235 VanDerWaalsContact NH2-OE1 3.12Å; R231-E235 WeakPolarHBondContact O-CB 3.31Å; R231-E235 VanDerWaalsContact O-CG 3.27Å; R231-E235 WeakPolarHBondContact O-CG 3.42Å; R231-E235 PolarHBondContact O-N 3.24Å
232	R	90.1	Very high	88.8	Confident	145 Å²	145	121.8 Å²	121.8	55%	0.547	55%	0.549	S	S	.	.	H	α-helix	trans	-65.9	-41.6	172.1	-68.1	169	-174.8	-130	4.4	111.4	E228 E229 K230 E234 E235 E236	E228-R232 WeakPolarHBondContact O-CG 3.34Å; E228-R232 PolarHBondContact O-N 2.9Å; E228-R232 IonicContact OE1-CZ 2.83Å; E228-R232 IonicContact OE1-NE 3.17Å; E228-R232 PolarHBondContact OE1-NE 3.29Å; E228-R232 IonicContact OE1-NH2 2.76Å; E228-R232 PolarHBondContact OE1-NH2 3.43Å; E229-R232 WeakPolarHBondContact O-CB 3.24Å; E229-R232 PolarHBondContact O-N 3.42Å; E229-R232 VanDerWaalsContact O-N 3.12Å; K230-R232 VanDerWaalsContact C-N 3.34Å; R232-E234 VanDerWaalsContact C-N 3.32Å; R232-E234 PolarHBondContact O-N 3.15Å; R232-E235 PolarHBondContact O-N 2.95Å; R232-E236 WeakPolarHBondContact O-CB 3.37Å; R232-E236 WeakPolarHBondContact O-CG 3.22Å; R232-E236 PolarHBondContact O-N 3.16Å
233	E	91.6	Very high	89	Confident	129 Å²	129	118 Å²	118	60%	0.603	54%	0.538	S	S	*	.	H	α-helix	trans	-60	-41.2	172.9	-66.6	179.8	144.3	0	0	111.9	E229 K230 A237	E229-E233 PolarHBondContact O-N 3.44Å; K230-E233 PolarHBondContact O-N 2.88Å; E233-A237 VanDerWaalsContact O-CB 3.23Å; E233-A237 WeakPolarHBondContact O-CB 3.36Å; E233-A237 PolarHBondContact O-N 3.32Å
234	E	88.6	Confident	89.4	Confident	103 Å²	103	118.4 Å²	118.4	48%	0.481	54%	0.538	S	S	.	.	H	α-helix	trans	-68.3	-40.6	176	-73.4	173.2	173.6	0	0	112.7	K230 R231 R232 L238	K230-E234 IonicContact NZ-OE1 3.73Å; K230-E234 PolarHBondContact NZ-OE1 3.4Å; K230-E234 WeakPolarHBondContact O-CG 3.17Å; K230-E234 PolarHBondContact O-N 3.42Å; R231-E234 PolarHBondContact O-N 3.19Å; R232-E234 VanDerWaalsContact C-N 3.32Å; R232-E234 PolarHBondContact O-N 3.15Å; E234-L238 WeakPolarHBondContact O-CB 3.48Å; E234-L238 PolarHBondContact O-N 3.21Å
235	E	87.9	Confident	89.5	Confident	99 Å²	99	115 Å²	115	46%	0.463	53%	0.53	S	S	.	.	H	α-helix	trans	-64.5	-42.7	174.4	-74.9	170.5	-149.3	0	0	111.8	R231 R232 R239	R231-E235 IonicContact CZ-OE1 2.76Å; R231-E235 IonicContact NE-OE1 3.84Å; R231-E235 PolarHBondContact NE-OE1 2.88Å; R231-E235 IonicContact NH2-OE1 3.64Å; R231-E235 PolarHBondContact NH2-OE1 2.95Å; R231-E235 VanDerWaalsContact NH2-OE1 3.12Å; R231-E235 WeakPolarHBondContact O-CB 3.31Å; R231-E235 VanDerWaalsContact O-CG 3.27Å; R231-E235 WeakPolarHBondContact O-CG 3.42Å; R231-E235 PolarHBondContact O-N 3.24Å; R232-E235 PolarHBondContact O-N 2.95Å; E235-R239 WeakPolarHBondContact O-CB 3.32Å; E235-R239 PolarHBondContact O-N 3Å
236	E	92	Very high	89.5	Confident	134 Å²	134	115.4 Å²	115.4	63%	0.626	53%	0.534	S	S	*	.	H	α-helix	trans	-68.9	-39.3	175.7	-74.3	-170.7	177.2	0	0	112.4	R232 R239 L240	R232-E236 WeakPolarHBondContact O-CB 3.37Å; R232-E236 WeakPolarHBondContact O-CG 3.22Å; R232-E236 PolarHBondContact O-N 3.16Å; E236-R239 PolarHBondContact O-N 2.83Å; E236-L240 WeakPolarHBondContact O-CB 3.42Å; E236-L240 WeakPolarHBondContact O-CG 3.44Å; E236-L240 PolarHBondContact O-N 3.18Å
237	A	91.6	Very high	89.5	Confident	58 Å²	58	115.3 Å²	115.3	48%	0.479	53%	0.532	S	S	.	.	H	α-helix	trans	-63.5	-43.8	175.4	0	0	0	0	0	112.1	E233 R239 L240 Q241	E233-A237 VanDerWaalsContact O-CB 3.23Å; E233-A237 WeakPolarHBondContact O-CB 3.36Å; E233-A237 PolarHBondContact O-N 3.32Å; A237-R239 VanDerWaalsContact C-N 3.34Å; A237-L240 PolarHBondContact O-N 2.86Å; A237-Q241 PolarHBondContact O-N 3.38Å
238	L	90.3	Very high	89.7	Confident	105 Å²	105	113.4 Å²	113.4	55%	0.55	53%	0.525	S	S	.	.	H	α-helix	trans	-63	-41.6	175.9	-175.7	66.4	0	0	0	111.3	E234 Q241 M242	E234-L238 WeakPolarHBondContact O-CB 3.48Å; E234-L238 PolarHBondContact O-N 3.21Å; L238-Q241 WeakPolarHBondContact O-CB 3.29Å; L238-Q241 PolarHBondContact O-N 2.79Å; L238-M242 WeakPolarHBondContact O-CG 3.33Å; L238-M242 PolarHBondContact O-N 3.39Å
239	R	90.3	Very high	89.7	Confident	160 Å²	160	117.8 Å²	117.8	60%	0.604	54%	0.538	S	S	*	.	H	α-helix	trans	-61.6	-46.2	175	-179.7	-179.2	168.3	177.7	-3.7	112.2	E235 E236 A237 Q241 M242 E243	E235-R239 WeakPolarHBondContact O-CB 3.32Å; E235-R239 PolarHBondContact O-N 3Å; E236-R239 PolarHBondContact O-N 2.83Å; A237-R239 VanDerWaalsContact C-N 3.34Å; R239-Q241 PolarHBondContact O-N 2.95Å; R239-M242 PolarHBondContact O-N 3.16Å; R239-M242 VanDerWaalsContact O-N 3.15Å; R239-E243 IonicContact CZ-OE1 2.67Å; R239-E243 VanDerWaalsContact CZ-OE1 3.25Å; R239-E243 IonicContact NE-OE1 2.71Å; R239-E243 PolarHBondContact NE-OE1 3.15Å; R239-E243 IonicContact NH2-OE1 3.15Å; R239-E243 PolarHBondContact NH2-OE1 2.97Å; R239-E243 PolarHBondContact O-N 2.94Å
240	L	92.1	Very high	89.5	Confident	97 Å²	97	117.2 Å²	117.2	51%	0.508	53%	0.53	S	S	.	.	H	α-helix	trans	-64.9	-23.7	176.3	-76.6	167.5	0	0	0	113.1	E236 A237 K244	E236-L240 WeakPolarHBondContact O-CB 3.42Å; E236-L240 WeakPolarHBondContact O-CG 3.44Å; E236-L240 PolarHBondContact O-N 3.18Å; A237-L240 PolarHBondContact O-N 2.86Å; L240-K244 WeakPolarHBondContact O-CD 3.24Å; L240-K244 VanDerWaalsContact O-CG 3.3Å; L240-K244 WeakPolarHBondContact O-CG 3.2Å
241	Q	88.8	Confident	89.6	Confident	105 Å²	105	115.8 Å²	115.8	49%	0.491	53%	0.531	S	S	.	.	H	α-helix	trans	-73.8	-48.1	169	-177.2	178.7	-25.7	0	0	111.1	A237 L238 R239 E243 K244 E245	A237-Q241 PolarHBondContact O-N 3.38Å; L238-Q241 WeakPolarHBondContact O-CB 3.29Å; L238-Q241 PolarHBondContact O-N 2.79Å; R239-Q241 PolarHBondContact O-N 2.95Å; Q241-E243 PolarHBondContact O-N 3.41Å; Q241-K244 WeakPolarHBondContact O-CB 3.23Å; Q241-K244 PolarHBondContact O-N 2.87Å; Q241-K244 VanDerWaalsContact O-N 3.16Å; Q241-E245 HydrophobicContact CG-CG 4.49Å; Q241-E245 WeakPolarHBondContact CG-OE1 3.45Å; Q241-E245 PolarHBondContact NE2-OE1 3.33Å; Q241-E245 PolarHBondContact O-N 3.11Å
242	M	85.5	Confident	89.6	Confident	124 Å²	124	115.9 Å²	115.9	61%	0.611	54%	0.535	S	S	*	.	H	α-helix	trans	-59.6	-42.3	178.2	-70.2	-176.9	68.1	0	0	112.7	L238 R239 K244 E245 E246	L238-M242 WeakPolarHBondContact O-CG 3.33Å; L238-M242 PolarHBondContact O-N 3.39Å; R239-M242 PolarHBondContact O-N 3.16Å; R239-M242 VanDerWaalsContact O-N 3.15Å; M242-K244 VanDerWaalsContact C-N 3.3Å; M242-K244 PolarHBondContact O-N 2.85Å; M242-E245 PolarHBondContact O-N 2.79Å; M242-E246 PolarHBondContact O-N 3.24Å
243	E	89.9	Confident	89.3	Confident	84 Å²	84	111.2 Å²	111.2	39%	0.393	52%	0.522	S	S	.	.	H	α-helix	trans	-62.8	-35.6	177.5	-71.3	177	-179.5	0	0	111.6	R239 Q241 E247	R239-E243 IonicContact CZ-OE1 2.67Å; R239-E243 VanDerWaalsContact CZ-OE1 3.25Å; R239-E243 IonicContact NE-OE1 2.71Å; R239-E243 PolarHBondContact NE-OE1 3.15Å; R239-E243 IonicContact NH2-OE1 3.15Å; R239-E243 PolarHBondContact NH2-OE1 2.97Å; R239-E243 PolarHBondContact O-N 2.94Å; Q241-E243 PolarHBondContact O-N 3.41Å; E243-E247 PolarHBondContact O-N 2.91Å; E243-E247 VanDerWaalsContact O-N 3.13Å
244	K	91	Very high	89.3	Confident	138 Å²	138	110.1 Å²	110.1	60%	0.6	52%	0.517	S	S	*	.	H	α-helix	trans	-70.6	-41.2	172.7	-71.8	169.8	-174.5	170.7	0	113.1	L240 Q241 M242 E246 E247 E248	L240-K244 WeakPolarHBondContact O-CD 3.24Å; L240-K244 VanDerWaalsContact O-CG 3.3Å; L240-K244 WeakPolarHBondContact O-CG 3.2Å; Q241-K244 WeakPolarHBondContact O-CB 3.23Å; Q241-K244 PolarHBondContact O-N 2.87Å; Q241-K244 VanDerWaalsContact O-N 3.16Å; M242-K244 VanDerWaalsContact C-N 3.3Å; M242-K244 PolarHBondContact O-N 2.85Å; K244-E246 VanDerWaalsContact C-N 3.26Å; K244-E246 PolarHBondContact O-N 3.1Å; K244-E247 PolarHBondContact O-N 3.01Å; K244-E248 PolarHBondContact O-N 3.01Å
245	E	90.2	Very high	89.3	Confident	109 Å²	109	108.3 Å²	108.3	51%	0.509	51%	0.509	S	S	.	.	H	α-helix	trans	-63.8	-34.4	177.1	-73.2	179	-162.3	0	0	111.2	Q241 M242 W249	Q241-E245 HydrophobicContact CG-CG 4.49Å; Q241-E245 WeakPolarHBondContact CG-OE1 3.45Å; Q241-E245 PolarHBondContact NE2-OE1 3.33Å; Q241-E245 PolarHBondContact O-N 3.11Å; M242-E245 PolarHBondContact O-N 2.79Å; E245-W249 VanDerWaalsContact O-CB 3.31Å; E245-W249 WeakPolarHBondContact O-CB 3.46Å; E245-W249 PolarHBondContact O-N 2.96Å
246	E	89.2	Confident	89.3	Confident	126 Å²	126	106.1 Å²	106.1	59%	0.589	51%	0.508	S	S	*	.	H	α-helix	trans	-68	-43.4	172	-168.3	178.1	163.3	0	0	112.4	M242 K244 W249 R250	M242-E246 PolarHBondContact O-N 3.24Å; K244-E246 VanDerWaalsContact C-N 3.26Å; K244-E246 PolarHBondContact O-N 3.1Å; E246-W249 PolarHBondContact O-N 2.78Å; E246-R250 WeakPolarHBondContact O-CB 2.98Å; E246-R250 WeakPolarHBondContact O-CG 3.24Å; E246-R250 PolarHBondContact O-N 3.38Å
247	E	90.6	Very high	89.2	Confident	125 Å²	125	103.9 Å²	103.9	58%	0.584	50%	0.5	S	S	*	.	H	α-helix	trans	-63.8	-40.8	174.4	-72.5	-161.2	138.3	0	0	112.7	E243 K244 W249 R250 T251	E243-E247 PolarHBondContact O-N 2.91Å; E243-E247 VanDerWaalsContact O-N 3.13Å; K244-E247 PolarHBondContact O-N 3.01Å; E247-W249 VanDerWaalsContact C-N 3.35Å; E247-R250 PolarHBondContact O-N 2.9Å; E247-T251 WeakPolarHBondContact O-CG2 3.5Å; E247-T251 PolarHBondContact O-N 3.06Å; E247-T251 PolarHBondContact O-OG1 3.33Å
248	E	91.4	Very high	89	Confident	109 Å²	109	106.9 Å²	106.9	51%	0.509	50%	0.499	S	S	.	.	H	α-helix	trans	-62.8	-39.3	172.1	-88.2	-157.3	-146.8	0	0	112.2	K244 T251 K252	K244-E248 PolarHBondContact O-N 3.01Å; E248-T251 WeakPolarHBondContact CA-OG1 3.44Å; E248-T251 PolarHBondContact O-OG1 2.73Å; E248-T251 VanDerWaalsContact O-OG1 3.1Å; E248-K252 WeakPolarHBondContact O-CB 3.47Å; E248-K252 WeakPolarHBondContact O-CD 3.4Å; E248-K252 WeakPolarHBondContact O-CG 3.42Å; E248-K252 PolarHBondContact O-N 3.47Å; E248-K252 VanDerWaalsContact O-N 3.11Å; E248-K252 WeakPolarHBondContact OE2-CE 3.28Å; E248-K252 IonicContact OE2-NZ 3.59Å; E248-K252 PolarHBondContact OE2-NZ 2.85Å
249	W	85.9	Confident	88.9	Confident	172 Å²	172	108.9 Å²	108.9	65%	0.652	50%	0.499	S	S	*	.	H	α-helix	trans	-69.8	-41.9	177.5	-173.8	86.2	0	0	0	112	E245 E246 E247 K252 T253	E245-W249 VanDerWaalsContact O-CB 3.31Å; E245-W249 WeakPolarHBondContact O-CB 3.46Å; E245-W249 PolarHBondContact O-N 2.96Å; E246-W249 PolarHBondContact O-N 2.78Å; E247-W249 VanDerWaalsContact C-N 3.35Å; W249-K252 PolarHBondContact O-N 2.87Å; W249-T253 PolarHBondContact O-N 3.33Å; W249-T253 PolarHBondContact O-OG1 2.99Å
250	R	86.4	Confident	88.8	Confident	112 Å²	112	107 Å²	107	42%	0.423	50%	0.497	S	S	.	.	H	α-helix	trans	-60.6	-48.6	175.2	-78.6	-174.3	55.2	-124.6	-24.5	112	E246 E247 K252 T253 E254	E246-R250 WeakPolarHBondContact O-CB 2.98Å; E246-R250 WeakPolarHBondContact O-CG 3.24Å; E246-R250 PolarHBondContact O-N 3.38Å; E247-R250 PolarHBondContact O-N 2.9Å; R250-K252 VanDerWaalsContact C-N 3.34Å; R250-K252 PolarHBondContact O-N 3.25Å; R250-T253 WeakPolarHBondContact O-CB 3.1Å; R250-T253 PolarHBondContact O-N 2.83Å; R250-T253 VanDerWaalsContact O-N 3.15Å; R250-E254 IonicContact CZ-OE1 3.72Å; R250-E254 IonicContact NE-OE1 3.78Å; R250-E254 IonicContact NH2-OE1 2.95Å; R250-E254 PolarHBondContact NH2-OE1 3.03Å; R250-E254 WeakPolarHBondContact O-CG 3.44Å; R250-E254 PolarHBondContact O-N 3.34Å
251	T	89.1	Confident	88.5	Confident	78 Å²	78	109 Å²	109	48%	0.479	50%	0.504	S	S	.	.	H	α-helix	trans	-64.3	-36.8	178.7	48.6	0	0	0	0	112.5	E247 E248 E254 E255	E247-T251 WeakPolarHBondContact O-CG2 3.5Å; E247-T251 PolarHBondContact O-N 3.06Å; E247-T251 PolarHBondContact O-OG1 3.33Å; E248-T251 WeakPolarHBondContact CA-OG1 3.44Å; E248-T251 PolarHBondContact O-OG1 2.73Å; E248-T251 VanDerWaalsContact O-OG1 3.1Å; T251-E254 PolarHBondContact O-N 3.14Å; T251-E255 WeakPolarHBondContact O-CB 3.27Å; T251-E255 VanDerWaalsContact O-CG 3.32Å; T251-E255 WeakPolarHBondContact O-CG 3.47Å; T251-E255 PolarHBondContact O-N 2.82Å
252	K	88.7	Confident	88.6	Confident	121 Å²	121	108 Å²	108	53%	0.526	50%	0.499	S	S	.	.	H	α-helix	trans	-65.7	-35.8	172.2	-71.2	163.1	-163	164.4	0	112.7	E248 W249 R250 E255 A256	E248-K252 WeakPolarHBondContact O-CB 3.47Å; E248-K252 WeakPolarHBondContact O-CD 3.4Å; E248-K252 WeakPolarHBondContact O-CG 3.42Å; E248-K252 PolarHBondContact O-N 3.47Å; E248-K252 VanDerWaalsContact O-N 3.11Å; E248-K252 WeakPolarHBondContact OE2-CE 3.28Å; E248-K252 IonicContact OE2-NZ 3.59Å; E248-K252 PolarHBondContact OE2-NZ 2.85Å; W249-K252 PolarHBondContact O-N 2.87Å; R250-K252 VanDerWaalsContact C-N 3.34Å; R250-K252 PolarHBondContact O-N 3.25Å; K252-E255 WeakPolarHBondContact O-CB 3.43Å; K252-A256 WeakPolarHBondContact O-CB 3.35Å; K252-A256 PolarHBondContact O-N 3.23Å
253	T	85.1	Confident	88.7	Confident	48 Å²	48	108.5 Å²	108.5	29%	0.294	50%	0.5	S	S	.	.	H	α-helix	trans	-68.9	-46.9	174.3	-60.7	0	0	0	0	111.3	W249 R250 E255 A256 D257	W249-T253 PolarHBondContact O-N 3.33Å; W249-T253 PolarHBondContact O-OG1 2.99Å; R250-T253 WeakPolarHBondContact O-CB 3.1Å; R250-T253 PolarHBondContact O-N 2.83Å; R250-T253 VanDerWaalsContact O-N 3.15Å; T253-E255 VanDerWaalsContact C-N 3.3Å; T253-E255 PolarHBondContact O-N 2.95Å; T253-A256 WeakPolarHBondContact O-CB 3.26Å; T253-A256 PolarHBondContact O-N 2.86Å; T253-D257 PolarHBondContact O-N 3.15Å
254	E	89.6	Confident	88.6	Confident	105 Å²	105	109.1 Å²	109.1	49%	0.491	50%	0.503	S	S	.	.	H	α-helix	trans	-61.9	-35.2	176.1	-69.1	172.6	-155.1	0	0	112	R250 T251 R258	R250-E254 IonicContact CZ-OE1 3.72Å; R250-E254 IonicContact NE-OE1 3.78Å; R250-E254 IonicContact NH2-OE1 2.95Å; R250-E254 PolarHBondContact NH2-OE1 3.03Å; R250-E254 WeakPolarHBondContact O-CG 3.44Å; R250-E254 PolarHBondContact O-N 3.34Å; T251-E254 PolarHBondContact O-N 3.14Å; E254-R258 WeakPolarHBondContact O-CB 3.48Å; E254-R258 PolarHBondContact O-N 2.78Å
255	E	89.7	Confident	88.5	Confident	66 Å²	66	105.7 Å²	105.7	31%	0.308	50%	0.497	S	S	.	.	H	α-helix	trans	-63.3	-42.6	168.9	-83.8	-94	125.9	0	0	113.2	T251 K252 T253 R258 R259	T251-E255 WeakPolarHBondContact O-CB 3.27Å; T251-E255 VanDerWaalsContact O-CG 3.32Å; T251-E255 WeakPolarHBondContact O-CG 3.47Å; T251-E255 PolarHBondContact O-N 2.82Å; K252-E255 WeakPolarHBondContact O-CB 3.43Å; T253-E255 VanDerWaalsContact C-N 3.3Å; T253-E255 PolarHBondContact O-N 2.95Å; E255-R258 PolarHBondContact O-N 3.32Å; E255-R258 IonicContact OE1-CZ 3.47Å; E255-R258 IonicContact OE1-NH1 3.67Å; E255-R258 PolarHBondContact OE1-NH1 2.97Å; E255-R258 IonicContact OE1-NH2 2.78Å; E255-R258 PolarHBondContact OE1-NH2 2.83Å; E255-R258 IonicContact OE2-NH2 3.19Å; E255-R259 VanDerWaalsContact O-CG 3.29Å; E255-R259 WeakPolarHBondContact O-CG 3.27Å; E255-R259 PolarHBondContact O-N 2.76Å; E255-R259 VanDerWaalsContact O-N 3.13Å; E255-R259 IonicContact OE2-CZ 3.32Å; E255-R259 IonicContact OE2-NE 2.83Å; E255-R259 IonicContact OE2-NH2 2.99Å; E255-R259 PolarHBondContact OE2-NH2 3.25Å
256	A	88.6	Confident	88.4	Confident	53 Å²	53	108.5 Å²	108.5	44%	0.438	50%	0.502	S	S	.	.	H	α-helix	trans	-68.4	-46.2	-179	0	0	0	0	0	111.6	K252 T253 R258 R259 Q260	K252-A256 WeakPolarHBondContact O-CB 3.35Å; K252-A256 PolarHBondContact O-N 3.23Å; T253-A256 WeakPolarHBondContact O-CB 3.26Å; T253-A256 PolarHBondContact O-N 2.86Å; A256-R258 VanDerWaalsContact C-N 3.29Å; A256-R258 PolarHBondContact O-N 3.18Å; A256-R259 PolarHBondContact O-N 2.92Å; A256-R259 VanDerWaalsContact O-N 3.16Å; A256-Q260 PolarHBondContact O-N 3.49Å
257	D	88.3	Confident	88.3	Confident	87 Å²	87	108.8 Å²	108.8	47%	0.465	51%	0.506	S	S	.	.	H	α-helix	trans	-58.4	-41.3	174.9	-79.3	-13.1	0	0	0	111.4	T253 Q260 Q261	T253-D257 PolarHBondContact O-N 3.15Å; D257-Q260 PolarHBondContact O-N 3.06Å; D257-Q261 WeakPolarHBondContact O-CG 3.47Å; D257-Q261 PolarHBondContact O-N 3.36Å
258	R	88.8	Confident	88.1	Confident	120 Å²	120	108.8 Å²	108.8	45%	0.453	50%	0.503	S	S	.	.	H	α-helix	trans	-61.6	-44.8	176	-167.1	177.5	77.3	-122.9	0.3	111.8	E254 E255 A256 Q261 E262	E254-R258 WeakPolarHBondContact O-CB 3.48Å; E254-R258 PolarHBondContact O-N 2.78Å; E255-R258 PolarHBondContact O-N 3.32Å; E255-R258 IonicContact OE1-CZ 3.47Å; E255-R258 IonicContact OE1-NH1 3.67Å; E255-R258 PolarHBondContact OE1-NH1 2.97Å; E255-R258 IonicContact OE1-NH2 2.78Å; E255-R258 PolarHBondContact OE1-NH2 2.83Å; E255-R258 IonicContact OE2-NH2 3.19Å; A256-R258 VanDerWaalsContact C-N 3.29Å; A256-R258 PolarHBondContact O-N 3.18Å; R258-Q261 PolarHBondContact O-N 2.91Å; R258-E262 PolarHBondContact O-N 2.98Å
259	R	88.5	Confident	88	Confident	147 Å²	147	107.1 Å²	107.1	56%	0.555	50%	0.496	S	S	*	.	H	α-helix	trans	-63.4	-41.8	176.6	-67.5	168.5	-163	-155.6	6.8	111.6	E255 A256 E262 E263	E255-R259 VanDerWaalsContact O-CG 3.29Å; E255-R259 WeakPolarHBondContact O-CG 3.27Å; E255-R259 PolarHBondContact O-N 2.76Å; E255-R259 VanDerWaalsContact O-N 3.13Å; E255-R259 IonicContact OE2-CZ 3.32Å; E255-R259 IonicContact OE2-NE 2.83Å; E255-R259 IonicContact OE2-NH2 2.99Å; E255-R259 PolarHBondContact OE2-NH2 3.25Å; A256-R259 PolarHBondContact O-N 2.92Å; A256-R259 VanDerWaalsContact O-N 3.16Å; R259-E262 WeakPolarHBondContact O-CB 3.35Å; R259-E262 PolarHBondContact O-N 3.28Å; R259-E263 PolarHBondContact O-N 3.35Å
260	Q	87	Confident	88	Confident	121 Å²	121	103.6 Å²	103.6	57%	0.565	49%	0.487	S	S	*	.	H	α-helix	trans	-65.7	-38.3	177.4	-172.9	172.7	-31.7	0	0	112.1	A256 D257 E263 E264	A256-Q260 PolarHBondContact O-N 3.49Å; D257-Q260 PolarHBondContact O-N 3.06Å; Q260-E263 PolarHBondContact O-N 3.3Å; Q260-E264 PolarHBondContact O-N 3.26Å
261	Q	87.1	Confident	88	Confident	138 Å²	138	105.9 Å²	105.9	65%	0.645	50%	0.495	S	S	*	.	H	α-helix	trans	-65.3	-39.4	172.4	-71.3	177.2	31.7	0	0	112.3	D257 R258 E264 S265	D257-Q261 WeakPolarHBondContact O-CG 3.47Å; D257-Q261 PolarHBondContact O-N 3.36Å; R258-Q261 PolarHBondContact O-N 2.91Å; Q261-E264 PolarHBondContact O-N 3.17Å; Q261-S265 WeakPolarHBondContact O-CB 3.46Å; Q261-S265 PolarHBondContact O-N 3.04Å
262	E	89.4	Confident	87.7	Confident	85 Å²	85	107.4 Å²	107.4	40%	0.397	49%	0.492	S	S	.	.	H	α-helix	trans	-61.9	-45.3	172.8	-77.4	-175.3	-136.4	0	0	111.9	R258 R259 S265 R266	R258-E262 PolarHBondContact O-N 2.98Å; R259-E262 WeakPolarHBondContact O-CB 3.35Å; R259-E262 PolarHBondContact O-N 3.28Å; E262-S265 PolarHBondContact O-N 3.12Å; E262-S265 PolarHBondContact O-OG 3.05Å; E262-R266 WeakPolarHBondContact O-CG 3.49Å; E262-R266 PolarHBondContact O-N 2.85Å; E262-R266 IonicContact OE2-NH2 2.66Å
263	E	88.4	Confident	87.6	Confident	134 Å²	134	109.1 Å²	109.1	63%	0.626	50%	0.495	S	S	*	.	H	α-helix	trans	-64.2	-42.9	176.4	-72.1	-169.4	158.7	0	0	112.5	R259 Q260 S265 R266 M267	R259-E263 PolarHBondContact O-N 3.35Å; Q260-E263 PolarHBondContact O-N 3.3Å; E263-S265 VanDerWaalsContact C-N 3.27Å; E263-S265 PolarHBondContact O-N 3.11Å; E263-R266 PolarHBondContact O-N 3.32Å; E263-M267 WeakPolarHBondContact O-CB 3.39Å; E263-M267 WeakPolarHBondContact O-CG 3.39Å; E263-M267 PolarHBondContact O-N 2.84Å
264	E	88.5	Confident	87.5	Confident	97 Å²	97	112.5 Å²	112.5	45%	0.453	51%	0.506	S	S	.	.	H	α-helix	trans	-58.2	-39.4	172	-88.9	-157.9	-156.6	0	0	112.3	Q260 Q261 M267 K268	Q260-E264 PolarHBondContact O-N 3.26Å; Q261-E264 PolarHBondContact O-N 3.17Å; E264-M267 PolarHBondContact O-N 3.27Å; E264-K268 WeakPolarHBondContact O-CB 3.41Å; E264-K268 WeakPolarHBondContact O-CD 3.4Å; E264-K268 WeakPolarHBondContact O-CG 3.37Å; E264-K268 PolarHBondContact O-N 2.74Å; E264-K268 WeakPolarHBondContact OE2-CE 3.23Å; E264-K268 IonicContact OE2-NZ 2.71Å; E264-K268 PolarHBondContact OE2-NZ 2.85Å
265	S	87.5	Confident	87.3	Confident	67 Å²	67	111 Å²	111	47%	0.469	50%	0.499	S	S	.	.	H	α-helix	trans	-65.4	-41.5	178.1	81.2	0	0	0	0	111.9	Q261 E262 E263 K268 E269	Q261-S265 WeakPolarHBondContact O-CB 3.46Å; Q261-S265 PolarHBondContact O-N 3.04Å; E262-S265 PolarHBondContact O-N 3.12Å; E262-S265 PolarHBondContact O-OG 3.05Å; E263-S265 VanDerWaalsContact C-N 3.27Å; E263-S265 PolarHBondContact O-N 3.11Å; S265-K268 PolarHBondContact O-N 3.04Å; S265-E269 PolarHBondContact O-N 3.07Å
266	R	89.3	Confident	87	Confident	167 Å²	167	111.5 Å²	111.5	63%	0.63	50%	0.501	S	S	*	.	H	α-helix	trans	-64.6	-45	175.7	-67.5	171.4	-169.4	-144.8	6.8	111.1	E262 E263 K268 E269 E270	E262-R266 WeakPolarHBondContact O-CG 3.49Å; E262-R266 PolarHBondContact O-N 2.85Å; E262-R266 IonicContact OE2-NH2 2.66Å; E263-R266 PolarHBondContact O-N 3.32Å; R266-K268 VanDerWaalsContact C-N 3.32Å; R266-K268 PolarHBondContact O-N 3.16Å; R266-E269 PolarHBondContact O-N 3.08Å; R266-E270 WeakPolarHBondContact O-CB 3.23Å; R266-E270 PolarHBondContact O-N 3.37Å
267	M	86.6	Confident	86.7	Confident	133 Å²	133	112.8 Å²	112.8	66%	0.655	50%	0.504	S	S	*	.	H	α-helix	trans	-62.3	-37.6	176.9	-73	-70.8	-78.6	0	0	112.2	E263 E264 R271	E263-M267 WeakPolarHBondContact O-CB 3.39Å; E263-M267 WeakPolarHBondContact O-CG 3.39Å; E263-M267 PolarHBondContact O-N 2.84Å; E264-M267 PolarHBondContact O-N 3.27Å; M267-R271 WeakPolarHBondContact O-CB 3.46Å; M267-R271 PolarHBondContact O-N 2.94Å
268	K	86.8	Confident	86.3	Confident	124 Å²	124	114.2 Å²	114.2	54%	0.539	51%	0.507	S	S	.	.	H	α-helix	trans	-67.2	-44.4	175	-73.1	161.5	-169.8	162.4	0	112	E264 S265 R266 R271 R272	E264-K268 WeakPolarHBondContact O-CB 3.41Å; E264-K268 WeakPolarHBondContact O-CD 3.4Å; E264-K268 WeakPolarHBondContact O-CG 3.37Å; E264-K268 PolarHBondContact O-N 2.74Å; E264-K268 WeakPolarHBondContact OE2-CE 3.23Å; E264-K268 IonicContact OE2-NZ 2.71Å; E264-K268 PolarHBondContact OE2-NZ 2.85Å; S265-K268 PolarHBondContact O-N 3.04Å; R266-K268 VanDerWaalsContact C-N 3.32Å; R266-K268 PolarHBondContact O-N 3.16Å; K268-R271 PolarHBondContact O-N 2.85Å; K268-R272 PolarHBondContact O-N 3.49Å
269	E	87.7	Confident	85.6	Confident	75 Å²	75	114.1 Å²	114.1	35%	0.35	51%	0.512	S	S	.	.	H	α-helix	trans	-66.9	-39.6	176.4	-175.1	63.5	-158.3	0	0	112.1	S265 R266 R271 R272 R273	S265-E269 PolarHBondContact O-N 3.07Å; R266-E269 PolarHBondContact O-N 3.08Å; E269-R271 VanDerWaalsContact C-N 3.32Å; E269-R271 PolarHBondContact O-N 2.65Å; E269-R272 PolarHBondContact O-N 3.15Å; E269-R272 IonicContact OE1-CZ 2.6Å; E269-R272 IonicContact OE1-NH1 2.81Å; E269-R272 PolarHBondContact OE1-NH1 3.07Å; E269-R272 IonicContact OE1-NH2 3.2Å; E269-R272 PolarHBondContact OE1-NH2 3.44Å; E269-R272 IonicContact OE2-CZ 2.73Å; E269-R272 IonicContact OE2-NH1 2.82Å; E269-R272 PolarHBondContact OE2-NH1 2.84Å; E269-R272 IonicContact OE2-NH2 3.5Å; E269-R273 WeakPolarHBondContact O-CG 3.36Å; E269-R273 PolarHBondContact O-N 3.09Å
270	E	87.8	Confident	84.8	Confident	98 Å²	98	112.8 Å²	112.8	46%	0.458	51%	0.512	S	S	.	.	H	α-helix	trans	-64.7	-37.5	174.9	-162.4	-168.5	139.4	0	0	111.5	R266 R273 K274	R266-E270 WeakPolarHBondContact O-CB 3.23Å; R266-E270 PolarHBondContact O-N 3.37Å; E270-R273 PolarHBondContact O-N 3.07Å; E270-K274 WeakPolarHBondContact O-CG 3.48Å; E270-K274 PolarHBondContact O-N 3.14Å; E270-K274 WeakPolarHBondContact OE1-CE 3.49Å; E270-K274 IonicContact OE1-NZ 3.62Å; E270-K274 PolarHBondContact OE1-NZ 3.06Å
271	R	84.6	Confident	84.1	Confident	159 Å²	159	112.6 Å²	112.6	60%	0.6	51%	0.509	S	S	*	.	H	α-helix	trans	-65.4	-44.3	173.8	-147.4	-168.7	81.9	-158.9	0.9	111.5	M267 K268 E269 R273 K274 E275	M267-R271 WeakPolarHBondContact O-CB 3.46Å; M267-R271 PolarHBondContact O-N 2.94Å; K268-R271 PolarHBondContact O-N 2.85Å; E269-R271 VanDerWaalsContact C-N 3.32Å; E269-R271 PolarHBondContact O-N 2.65Å; R271-R273 VanDerWaalsContact C-N 3.32Å; R271-R273 PolarHBondContact O-N 2.86Å; R271-K274 WeakPolarHBondContact O-CB 3.47Å; R271-K274 PolarHBondContact O-N 2.94Å; R271-K274 VanDerWaalsContact O-N 3.1Å; R271-E275 IonicContact CZ-OE1 3.97Å; R271-E275 IonicContact NE-OE1 2.8Å; R271-E275 PolarHBondContact NE-OE1 3Å; R271-E275 IonicContact NH2-OE1 3.85Å; R271-E275 PolarHBondContact NH2-OE1 3.33Å; R271-E275 WeakPolarHBondContact O-CG 3.34Å; R271-E275 PolarHBondContact O-N 3.34Å
272	R	84.7	Confident	83.2	Confident	110 Å²	110	111.8 Å²	111.8	42%	0.415	51%	0.506	S	S	.	.	H	α-helix	trans	-62.9	-38.3	176.5	-151.2	-169.8	75.7	-109.1	-24.7	111.8	K268 E269 K274 E275 E276	K268-R272 PolarHBondContact O-N 3.49Å; E269-R272 PolarHBondContact O-N 3.15Å; E269-R272 IonicContact OE1-CZ 2.6Å; E269-R272 IonicContact OE1-NH1 2.81Å; E269-R272 PolarHBondContact OE1-NH1 3.07Å; E269-R272 IonicContact OE1-NH2 3.2Å; E269-R272 PolarHBondContact OE1-NH2 3.44Å; E269-R272 IonicContact OE2-CZ 2.73Å; E269-R272 IonicContact OE2-NH1 2.82Å; E269-R272 PolarHBondContact OE2-NH1 2.84Å; E269-R272 IonicContact OE2-NH2 3.5Å; R272-K274 VanDerWaalsContact C-N 3.34Å; R272-K274 PolarHBondContact O-N 2.87Å; R272-E275 WeakPolarHBondContact O-CB 3.24Å; R272-E275 PolarHBondContact O-N 2.87Å; R272-E276 IonicContact CZ-OE1 3.43Å; R272-E276 IonicContact NE-OE1 3.32Å; R272-E276 PolarHBondContact NE-OE1 2.96Å; R272-E276 IonicContact NH2-OE1 3.55Å; R272-E276 PolarHBondContact NH2-OE1 3.35Å; R272-E276 WeakPolarHBondContact O-CB 3.27Å; R272-E276 VanDerWaalsContact O-CG 3.27Å; R272-E276 WeakPolarHBondContact O-CG 3.37Å; R272-E276 PolarHBondContact O-N 3.46Å
273	R	85.3	Confident	82.1	Confident	157 Å²	157	111.7 Å²	111.7	59%	0.592	51%	0.511	S	S	*	.	H	α-helix	trans	-62.7	-35.5	172.1	-76.9	178.7	170.8	-160.7	-5	113.4	E269 E270 R271 V277	E269-R273 WeakPolarHBondContact O-CG 3.36Å; E269-R273 PolarHBondContact O-N 3.09Å; E270-R273 PolarHBondContact O-N 3.07Å; R271-R273 VanDerWaalsContact C-N 3.32Å; R271-R273 PolarHBondContact O-N 2.86Å; R273-V277 WeakPolarHBondContact O-CB 3.23Å; R273-V277 VanDerWaalsContact O-CG2 3.29Å; R273-V277 WeakPolarHBondContact O-CG2 3.47Å; R273-V277 PolarHBondContact O-N 2.57Å
274	K	84	Confident	80.7	Confident	119 Å²	119	111.9 Å²	111.9	52%	0.517	51%	0.51	S	S	.	.	H	α-helix	trans	-68.2	-44.9	173.6	-72.6	168.4	-174.2	168.1	0	110.9	E270 R271 R272 E276 V277 E278	E270-K274 WeakPolarHBondContact O-CG 3.48Å; E270-K274 PolarHBondContact O-N 3.14Å; E270-K274 WeakPolarHBondContact OE1-CE 3.49Å; E270-K274 IonicContact OE1-NZ 3.62Å; E270-K274 PolarHBondContact OE1-NZ 3.06Å; R271-K274 WeakPolarHBondContact O-CB 3.47Å; R271-K274 PolarHBondContact O-N 2.94Å; R271-K274 VanDerWaalsContact O-N 3.1Å; R272-K274 VanDerWaalsContact C-N 3.34Å; R272-K274 PolarHBondContact O-N 2.87Å; K274-E276 PolarHBondContact O-N 3.37Å; K274-V277 PolarHBondContact O-N 2.79Å; K274-E278 WeakPolarHBondContact O-CB 3.42Å; K274-E278 PolarHBondContact O-N 2.69Å
275	E	83.8	Confident	79.3	Confident	74 Å²	74	113.7 Å²	113.7	35%	0.346	52%	0.518	S	S	.	.	H	α-helix	trans	-58.2	-44.1	173.7	-67.1	163.8	-168.2	0	0	111.6	R271 R272 E278 Q279	R271-E275 IonicContact CZ-OE1 3.97Å; R271-E275 IonicContact NE-OE1 2.8Å; R271-E275 PolarHBondContact NE-OE1 3Å; R271-E275 IonicContact NH2-OE1 3.85Å; R271-E275 PolarHBondContact NH2-OE1 3.33Å; R271-E275 WeakPolarHBondContact O-CG 3.34Å; R271-E275 PolarHBondContact O-N 3.34Å; R272-E275 WeakPolarHBondContact O-CB 3.24Å; R272-E275 PolarHBondContact O-N 2.87Å; E275-E278 PolarHBondContact O-N 2.8Å; E275-Q279 WeakPolarHBondContact O-CG 3.28Å; E275-Q279 PolarHBondContact O-N 2.95Å
276	E	84.2	Confident	77.7	Confident	76 Å²	76	117.2 Å²	117.2	36%	0.355	53%	0.527	S	S	.	.	H	α-helix	trans	-62.7	-40.4	174.6	-73.9	166	-158.6	0	0	112.9	R272 K274 Q280	R272-E276 IonicContact CZ-OE1 3.43Å; R272-E276 IonicContact NE-OE1 3.32Å; R272-E276 PolarHBondContact NE-OE1 2.96Å; R272-E276 IonicContact NH2-OE1 3.55Å; R272-E276 PolarHBondContact NH2-OE1 3.35Å; R272-E276 WeakPolarHBondContact O-CB 3.27Å; R272-E276 VanDerWaalsContact O-CG 3.27Å; R272-E276 WeakPolarHBondContact O-CG 3.37Å; R272-E276 PolarHBondContact O-N 3.46Å; K274-E276 PolarHBondContact O-N 3.37Å; E276-Q280 WeakPolarHBondContact O-CG 3.28Å; E276-Q280 PolarHBondContact O-N 2.86Å
277	V	83.3	Confident	75.9	Confident	81 Å²	81	113.9 Å²	113.9	49%	0.491	53%	0.525	S	S	.	.	H	α-helix	trans	-71.2	-33.4	176.5	166.5	0	0	0	0	111.8	R273 K274 Q280 K281	R273-V277 WeakPolarHBondContact O-CB 3.23Å; R273-V277 VanDerWaalsContact O-CG2 3.29Å; R273-V277 WeakPolarHBondContact O-CG2 3.47Å; R273-V277 PolarHBondContact O-N 2.57Å; K274-V277 PolarHBondContact O-N 2.79Å; V277-Q280 PolarHBondContact O-N 2.73Å; V277-K281 WeakPolarHBondContact O-CG 3.31Å; V277-K281 PolarHBondContact O-N 2.83Å
278	E	79.2	Confident	74.1	Confident	116 Å²	116	118.2 Å²	118.2	54%	0.542	53%	0.534	S	S	.	.	H	α-helix	trans	-69.3	-45.7	176.3	-160	127	-114.8	0	0	110.8	K274 E275 Q280 K281 E282	K274-E278 WeakPolarHBondContact O-CB 3.42Å; K274-E278 PolarHBondContact O-N 2.69Å; E275-E278 PolarHBondContact O-N 2.8Å; E278-Q280 VanDerWaalsContact C-N 3.29Å; E278-Q280 PolarHBondContact O-N 3.36Å; E278-K281 WeakPolarHBondContact O-CA 3.19Å; E278-K281 WeakPolarHBondContact O-CB 3.5Å; E278-K281 PolarHBondContact O-N 2.75Å; E278-E282 PolarHBondContact O-N 2.96Å
279	Q	73.9	Confident	72.4	Confident	119 Å²	119	119.7 Å²	119.7	56%	0.556	55%	0.547	S	S	*	.	H	α-helix	trans	-59.3	-37.7	170.5	-71.5	176.7	4.6	0	0	112.5	E275 K281 E282 V283	E275-Q279 WeakPolarHBondContact O-CG 3.28Å; E275-Q279 PolarHBondContact O-N 2.95Å; Q279-K281 VanDerWaalsContact C-N 3.27Å; Q279-K281 PolarHBondContact O-N 3.42Å; Q279-E282 PolarHBondContact O-N 2.77Å; Q279-V283 WeakPolarHBondContact O-CG2 3.24Å; Q279-V283 PolarHBondContact O-N 3.28Å
280	Q	71.1	Confident	70.4	Confident	118 Å²	118	126.6 Å²	126.6	55%	0.551	57%	0.57	S	S	*	*	H	α-helix	trans	-68.2	-21.8	172.7	-77.4	-174	33	0	0	113.9	E276 V277 E278 K284	E276-Q280 WeakPolarHBondContact O-CG 3.28Å; E276-Q280 PolarHBondContact O-N 2.86Å; V277-Q280 PolarHBondContact O-N 2.73Å; E278-Q280 VanDerWaalsContact C-N 3.29Å; E278-Q280 PolarHBondContact O-N 3.36Å; Q280-K284 WeakPolarHBondContact O-CB 3.48Å; Q280-K284 WeakPolarHBondContact O-CD 3.35Å; Q280-K284 VanDerWaalsContact O-CG 3.26Å; Q280-K284 WeakPolarHBondContact O-CG 3.45Å; Q280-K284 PolarHBondContact O-N 2.76Å
281	K	72.8	Confident	68.4	Low	117 Å²	117	124.7 Å²	124.7	51%	0.509	58%	0.577	S	S	.	*	H	α-helix	trans	-77.1	-47.3	168.9	-70.8	173	-177.4	172.4	0	110.7	V277 E278 Q279 V283 K284 E285	V277-K281 WeakPolarHBondContact O-CG 3.31Å; V277-K281 PolarHBondContact O-N 2.83Å; E278-K281 WeakPolarHBondContact O-CA 3.19Å; E278-K281 WeakPolarHBondContact O-CB 3.5Å; E278-K281 PolarHBondContact O-N 2.75Å; Q279-K281 VanDerWaalsContact C-N 3.27Å; Q279-K281 PolarHBondContact O-N 3.42Å; K281-V283 VanDerWaalsContact C-N 3.32Å; K281-V283 PolarHBondContact O-N 2.97Å; K281-K284 CarbonylContact O-C 3.55Å; K281-K284 WeakPolarHBondContact O-CA 3.29Å; K281-K284 WeakPolarHBondContact O-CB 3.22Å; K281-K284 PolarHBondContact O-N 3.06Å; K281-E285 PolarHBondContact O-N 3.02Å
282	E	68.4	Low	66.2	Low	121 Å²	121	124.5 Å²	124.5	57%	0.565	59%	0.587	S	S	*	*	H	α-helix	trans	-55.5	-47.2	176.8	-67.5	-177.8	138.3	0	0	111.2	E278 Q279 K284 E285 E286	E278-E282 PolarHBondContact O-N 2.96Å; Q279-E282 PolarHBondContact O-N 2.77Å; E282-K284 VanDerWaalsContact C-N 3.3Å; E282-K284 PolarHBondContact O-N 3.23Å; E282-E285 PolarHBondContact O-N 2.74Å; E282-E285 VanDerWaalsContact O-N 3.13Å; E282-E286 PolarHBondContact O-N 3.47Å
283	V	65.9	Low	64.1	Low	83 Å²	83	125.4 Å²	125.4	50%	0.503	61%	0.605	S	S	.	*	H	α-helix	trans	-63.8	-33.1	174.8	173.5	0	0	0	0	112.2	Q279 K281 V287	Q279-V283 WeakPolarHBondContact O-CG2 3.24Å; Q279-V283 PolarHBondContact O-N 3.28Å; K281-V283 VanDerWaalsContact C-N 3.32Å; K281-V283 PolarHBondContact O-N 2.97Å; V283-V287 WeakPolarHBondContact O-CB 3.35Å; V283-V287 VanDerWaalsContact O-CG2 3.25Å; V283-V287 WeakPolarHBondContact O-CG2 3.08Å; V283-V287 PolarHBondContact O-N 3.38Å
284	K	59.6	Low	62	Low	139 Å²	139	127.5 Å²	127.5	60%	0.604	62%	0.619	S	S	*	*	H	α-helix	trans	-72.7	-30.7	173.5	-83	174.6	178.9	169.9	0	113	Q280 K281 E282 V287 W288	Q280-K284 WeakPolarHBondContact O-CB 3.48Å; Q280-K284 WeakPolarHBondContact O-CD 3.35Å; Q280-K284 VanDerWaalsContact O-CG 3.26Å; Q280-K284 WeakPolarHBondContact O-CG 3.45Å; Q280-K284 PolarHBondContact O-N 2.76Å; K281-K284 CarbonylContact O-C 3.55Å; K281-K284 WeakPolarHBondContact O-CA 3.29Å; K281-K284 WeakPolarHBondContact O-CB 3.22Å; K281-K284 PolarHBondContact O-N 3.06Å; E282-K284 VanDerWaalsContact C-N 3.3Å; E282-K284 PolarHBondContact O-N 3.23Å; K284-V287 PolarHBondContact O-N 2.97Å; K284-W288 WeakPolarHBondContact O-CB 3.39Å; K284-W288 PolarHBondContact O-N 2.8Å
285	E	58.3	Low	59.6	Low	134 Å²	134	130.8 Å²	130.8	63%	0.626	64%	0.636	S	S	*	*	H	α-helix	trans	-74.3	-38.4	173.2	-70.8	-171.5	170	0	0	111.3	K281 E282 V287 W288 L289	K281-E285 PolarHBondContact O-N 3.02Å; E282-E285 PolarHBondContact O-N 2.74Å; E282-E285 VanDerWaalsContact O-N 3.13Å; E285-V287 VanDerWaalsContact C-N 3.31Å; E285-V287 PolarHBondContact O-N 3.39Å; E285-W288 PolarHBondContact O-N 3.07Å; E285-L289 WeakPolarHBondContact O-CB 3.27Å; E285-L289 VanDerWaalsContact O-CG 3.31Å; E285-L289 WeakPolarHBondContact O-CG 3.47Å; E285-L289 PolarHBondContact O-N 2.82Å
286	E	53.9	Low	57.4	Low	141 Å²	141	135.7 Å²	135.7	66%	0.659	66%	0.661	S	S	*	*	H	α-helix	trans	-59.4	-39.9	167.3	-75.1	-156.8	131.8	0	0	112.3	E282 L289 R290	E282-E286 PolarHBondContact O-N 3.47Å; E286-L289 PolarHBondContact O-N 3.35Å; E286-R290 PolarHBondContact O-N 3.33Å
287	V	52.9	Low	55.3	Low	97 Å²	97	137.3 Å²	137.3	59%	0.588	68%	0.678	S	S	*	*	H	α-helix	trans	-68.6	-38.1	174.5	168	0	0	0	0	111.6	V283 K284 E285 R290	V283-V287 WeakPolarHBondContact O-CB 3.35Å; V283-V287 VanDerWaalsContact O-CG2 3.25Å; V283-V287 WeakPolarHBondContact O-CG2 3.08Å; V283-V287 PolarHBondContact O-N 3.38Å; K284-V287 PolarHBondContact O-N 2.97Å; E285-V287 VanDerWaalsContact C-N 3.31Å; E285-V287 PolarHBondContact O-N 3.39Å; V287-R290 WeakPolarHBondContact O-CB 3.46Å; V287-R290 PolarHBondContact O-N 2.84Å; V287-R290 VanDerWaalsContact O-N 3.09Å
288	W	48.8	Very low	52.8	Low	224 Å²	224	138.8 Å²	138.8	85%	0.848	69%	0.692	S	S	*	*	H	α-helix	trans	-64.4	-39.4	173.7	-116.7	88	0	0	0	112.3	K284 E285 R290 G291	K284-W288 WeakPolarHBondContact O-CB 3.39Å; K284-W288 PolarHBondContact O-N 2.8Å; E285-W288 PolarHBondContact O-N 3.07Å; W288-R290 PolarHBondContact O-N 2.91Å; W288-G291 PolarHBondContact O-N 3.4Å; W288-G291 VanDerWaalsContact O-N 3.12Å
289	L	49.8	Very low	51	Low	155 Å²	155	142.7 Å²	142.7	81%	0.812	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.9	-13.8	172.9	-73.4	166.2	0	0	0	113.3	E285 E286	E285-L289 WeakPolarHBondContact O-CB 3.27Å; E285-L289 VanDerWaalsContact O-CG 3.31Å; E285-L289 WeakPolarHBondContact O-CG 3.47Å; E285-L289 PolarHBondContact O-N 2.82Å; E286-L289 PolarHBondContact O-N 3.35Å
290	R	46.5	Very low	48.9	Very low	221 Å²	221	145.6 Å²	145.6	83%	0.834	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.8	-7.9	171.8	-108.1	-179.8	-176.7	165.8	6.1	115.1	E286 V287 W288	E286-R290 PolarHBondContact O-N 3.33Å; V287-R290 WeakPolarHBondContact O-CB 3.46Å; V287-R290 PolarHBondContact O-N 2.84Å; V287-R290 VanDerWaalsContact O-N 3.09Å; W288-R290 PolarHBondContact O-N 2.91Å
291	G	46.2	Very low	47.1	Very low	58 Å²	58	147.6 Å²	147.6	60%	0.598	73%	0.73	S	S	*	*			trans	42.3	90.3	158.7	0	0	0	0	0	118	W288	W288-G291 PolarHBondContact O-N 3.4Å; W288-G291 VanDerWaalsContact O-N 3.12Å
292	D	38.5	Very low	45.1	Very low	154 Å²	154	149.4 Å²	149.4	82%	0.824	75%	0.745	S	S	*	*			trans	-134.2	131.9	171.8	-120.8	-30	0	0	0	113.8
293	V	39.5	Very low	43.4	Very low	130 Å²	130	151.2 Å²	151.2	79%	0.788	76%	0.757	S	S	*	*			trans	59.4	121.2	160.5	-170.6	0	0	0	0	120.7
294	F	41.3	Very low	42.5	Very low	200 Å²	200	152.8 Å²	152.8	88%	0.877	77%	0.769	S	S	*	*			trans	-69.2	144.2	165.7	-82.4	-117.3	0	0	0	113.1
295	Q	33.2	Very low	42.4	Very low	188 Å²	188	151.6 Å²	151.6	88%	0.879	78%	0.776	S	S	*	*			trans	-153.4	127.7	142.1	-120.1	172.5	13.1	0	0	113.4
296	M	37.5	Very low	41.7	Very low	178 Å²	178	150.9 Å²	150.9	88%	0.877	78%	0.783	S	S	*	*			trans	-124	139.9	158.1	-69.5	-178.9	72.9	0	0	107.4
297	P	41.4	Very low	40.9	Very low	109 Å²	109	150.7 Å²	150.7	71%	0.708	79%	0.791	S	S	*	*				-138.8	133.9	125.2	40.4	-29.3	0	0	0	111.1
298	S	30.6	Very low	40.4	Very low	112 Å²	112	151.1 Å²	151.1	78%	0.783	80%	0.795	S	S	*	*				99	154	97.8	66.8	0	0	0	0	112.9
299	K	40.3	Very low	39.6	Very low	198 Å²	198	146.6 Å²	146.6	86%	0.861	79%	0.793	S	S	*	*			trans	-148.1	105.8	-164.4	176.4	-155.8	173.3	-171.4	0	111.6
300	E	30.9	Very low	39	Very low	181 Å²	181	148 Å²	148	85%	0.846	80%	0.795	S	S	*	*			trans	-165.8	147.5	176	-102.5	141.1	-155.6	0	0	107.1
301	E	32.3	Very low	38.8	Very low	159 Å²	159	142.5 Å²	142.5	74%	0.743	79%	0.788	S	S	*	*			cis	-160.8	179.4	-8.2	-145.7	-171.5	178.1	0	0	110.7
302	L	32.3	Very low	38.1	Very low	156 Å²	156	145.1 Å²	145.1	82%	0.817	79%	0.793	S	S	*	*			trans	78.1	156.5	158.9	-64.7	162.4	0	0	0	121.2
303	L	32.4	Very low	37.9	Very low	159 Å²	159	145.5 Å²	145.5	83%	0.832	79%	0.789	S	S	*	*			trans	-137.4	170.4	-172.8	-72.1	165.9	0	0	0	107.7
304	P	47.3	Very low	37.6	Very low	115 Å²	115	144.9 Å²	144.9	75%	0.747	79%	0.786	S	S	*	*			cis	-125.9	-136.7	-41	39.6	-19.8	0	0	0	110.2
305	P	56.9	Low	37	Very low	114 Å²	114	142 Å²	142	74%	0.74	78%	0.78	S	S	*	*			trans	-87.9	172.9	-155.5	41.3	-43.5	0	0	0	116.4
306	P	43.1	Very low	37	Very low	120 Å²	120	141.1 Å²	141.1	78%	0.779	78%	0.776	S	S	*	*				-148.5	-176.6	107	41.1	-25.9	0	0	0	116.2
307	V	37.9	Very low	36.7	Very low	137 Å²	137	140.5 Å²	140.5	83%	0.83	78%	0.775	S	S	*	*			trans	-107.1	140.8	172.6	175.1	0	0	0	0	110.8
308	P	42.8	Very low	36.2	Very low	105 Å²	105	144.5 Å²	144.5	68%	0.682	78%	0.781	S	S	*	*			trans	-139.7	118.9	142.3	19.8	2.1	0	0	0	113.2
309	T	30.6	Very low	36.1	Very low	129 Å²	129	147.7 Å²	147.7	79%	0.791	78%	0.784	S	S	*	*				77.7	140.4	89.8	58.7	0	0	0	0	118.2
310	H	37.8	Very low	35.5	Very low	184 Å²	184	144.5 Å²	144.5	85%	0.852	78%	0.78	S	S	*	*			trans	-79.6	166.7	172.5	-71.4	-101.8	0	0	0	113.9
311	P	41.7	Very low	35.4	Very low	106 Å²	106	139.9 Å²	139.9	69%	0.688	77%	0.774	S	S	*	*			trans	-104	141.1	132.4	-0.7	21.8	0	0	0	109.7
312	T	32.1	Very low	35.9	Very low	114 Å²	114	138.6 Å²	138.6	70%	0.699	78%	0.779	S	S	*	*				65.9	148.9	57.1	76	0	0	0	0	114.4
313	E	34.5	Very low	35.6	Very low	161 Å²	161	134.3 Å²	134.3	75%	0.752	77%	0.772	S	S	*	*			cis	-155.8	171	-2.4	-114.9	148.8	141.9	0	0	107
314	T	34	Very low	35.4	Very low	117 Å²	117	135.4 Å²	135.4	72%	0.718	77%	0.773	S	S	*	*			cis	-124.7	-125.5	7	-23	0	0	0	0	109.9
315	D	28.3	Very low	34.4	Very low	141 Å²	141	138.3 Å²	138.3	75%	0.754	78%	0.777	S	S	*	*			cis	-156.5	174.3	-3.8	-137.5	-57	0	0	0	110.5
316	E	33.1	Very low	32.9	Very low	169 Å²	169	142.2 Å²	142.2	79%	0.79	79%	0.785	S	S	*	*			trans	-141.6	172.3	-167.4	-61.3	-163	122.3	0	0	118.5
317	L	31.1	Very low	32.3	Very low	164 Å²	164	145.6 Å²	145.6	86%	0.859	79%	0.791	S	S	*	*			trans	115.6	152.6	144.4	-72.8	159.7	0	0	0	120.2
318	K	29.7	Very low	31.7	Very low	194 Å²	194	148.7 Å²	148.7	84%	0.843	80%	0.796	S	S	*	*			trans	-108.2	167.2	-171.9	-50.7	165.1	178.6	171.4	0	110.2
319	E	29.2	Very low	31.1	Very low	179 Å²	179	152.4 Å²	152.4	84%	0.836	80%	0.804	S	S	*	*				-177.9	167.5	108.3	-116.9	-179.5	-161.3	0	0	116.6
320	V	26.8	Very low	31	Very low	130 Å²	130	155.9 Å²	155.9	79%	0.788	81%	0.811	S	S	*	*			trans	76.4	136	153.3	166.6	0	0	0	0	122.4
321	A	29.7	Very low	30.7	Very low	85 Å²	85	156.3 Å²	156.3	70%	0.702	81%	0.814	S	S	*	*			trans	-139.9	167.4	154.2	0	0	0	0	0	105.6
322	P	41.8	Very low	30.1	Very low	131 Å²	131	160.5 Å²	160.5	85%	0.851	82%	0.824	S	S	*	*			cis	-150.6	-161.2	40.8	44.4	-22.2	0	0	0	116
323	G	26.5	Very low	29.9	Very low	66 Å²	66	164.3 Å²	164.3	68%	0.68	83%	0.834	S	S	*	*			trans	97.2	149.1	163.5	0	0	0	0	0	115.5
324	E	27.8	Very low	29.9	Very low	182 Å²	182	165.6 Å²	165.6	85%	0.85	84%	0.84	S	S	*	*			cis	-154.2	152.6	-5.3	-108.9	159.9	-165.3	0	0	110
325	E	27	Very low	29.8	Very low	176 Å²	176	168.4 Å²	168.4	82%	0.822	85%	0.845	S	S	*	*			trans	20.1	135.8	150.8	-61.8	170	-171.3	0	0	123
326	E	25.8	Very low	30.1	Very low	197 Å²	197	170.5 Å²	170.5	92%	0.921	85%	0.85	S	S	*	*				-167.3	160.7	101.4	-101.3	176.3	-179.6	0	0	111.2
327	E	30.6	Very low	30.3	Very low	191 Å²	191	169.9 Å²	169.9	89%	0.893	85%	0.847	S	S	*	*			trans	-111.8	155.1	-178.7	-59.7	175.9	144	0	0	110.6
328	E	25.9	Very low	30.5	Very low	202 Å²	202	168 Å²	168	94%	0.944	84%	0.843	S	S	*	*			trans	-164.8	157	135.8	-114.7	171.6	-162.7	0	0	111.4
329	E	29.9	Very low	31.2	Very low	182 Å²	182	163.9 Å²	163.9	85%	0.85	83%	0.834	S	S	*	*			trans	-107	141.2	-172	-57.8	172.5	133.2	0	0	111.1
330	E	27.3	Very low	32.5	Very low	202 Å²	202	159 Å²	159	94%	0.944	82%	0.816	S	S	*	*			trans	-131.2	115.4	154.4	-73.2	-167.3	145.7	0	0	109
331	E	31.3	Very low	34.2	Very low	193 Å²	193	159.2 Å²	159.2	90%	0.902	82%	0.818	S	S	*	*			trans	-85.5	124.4	167.7	-63.6	-177.3	129.7	0	0	108.9
332	E	29	Very low	36.3	Very low	194 Å²	194	157.8 Å²	157.8	91%	0.907	80%	0.798	S	S	*	*			trans	-119	140.2	156.2	-73.1	-158.2	137.9	0	0	109.4
333	E	29.1	Very low	37.8	Very low	195 Å²	195	153 Å²	153	91%	0.911	77%	0.767	S	S	*	*			trans	-82.3	172.5	-166.9	-64.8	-176.9	127	0	0	113.9
334	E	34.5	Very low	40	Very low	187 Å²	187	154.6 Å²	154.6	87%	0.874	77%	0.774	S	S	*	*			trans	-37.2	126.3	178.7	-55.2	175.6	162.2	0	0	116.5
335	E	30.3	Very low	42.4	Very low	177 Å²	177	148.9 Å²	148.9	83%	0.827	76%	0.764	S	S	*	*				-132	113.2	119.7	-73.9	-158.3	153.9	0	0	109.4	E337	E335-E337 PolarHBondContact O-N 2.93Å
336	E	35.9	Very low	45.3	Very low	184 Å²	184	141.4 Å²	141.4	86%	0.86	73%	0.731	S	S	*	*			trans	-72.6	72	164.5	-78.9	-161.2	144.5	0	0	109.7	T338	E336-T338 PolarHBondContact O-N 3.41Å
337	E	36.1	Very low	48.3	Very low	156 Å²	156	136.8 Å²	136.8	73%	0.729	71%	0.712	S	S	*	*			trans	-58.4	111.2	156.4	-82.1	-148.5	135.2	0	0	107.6	E335 T339	E335-E337 PolarHBondContact O-N 2.93Å; E337-T339 PolarHBondContact O-N 3.15Å
338	T	36.9	Very low	51.1	Low	125 Å²	125	130.5 Å²	130.5	77%	0.767	68%	0.684	S	S	*	*			trans	-73.7	72.8	177.5	34.1	0	0	0	0	109.5	E336 V340	E336-T338 PolarHBondContact O-N 3.41Å; T338-V340 PolarHBondContact O-N 3.15Å
339	T	42.7	Very low	53.9	Low	108 Å²	108	123.8 Å²	123.8	66%	0.663	66%	0.659	S	S	*	*			trans	-51.6	106.3	-179.6	48.5	0	0	0	0	109.8	E337 V341	E337-T339 PolarHBondContact O-N 3.15Å; T339-V341 PolarHBondContact O-N 3.36Å
340	V	57	Low	56.5	Low	75 Å²	75	123 Å²	123	46%	0.455	66%	0.661	S	S	.	*			trans	-67.8	103.4	-179.1	179	0	0	0	0	107.3	T338 L342 I368	T338-V340 PolarHBondContact O-N 3.15Å; V340-L342 VanDerWaalsContact C-N 3.28Å; V340-L342 HydrophobicContact CG1-CD2 3.74Å; V340-L342 HydrophobicContact CG1-CG 4.28Å; V340-L342 PolarHBondContact O-N 2.92Å; V340-I368 HydrophobicContact CG1-CD1 3.81Å; V340-I368 HydrophobicContact CG1-CG1 3.94Å
341	V	62.1	Low	59.5	Low	135 Å²	135	116 Å²	116	82%	0.818	63%	0.632	S	S	*	*			trans	-72.1	85.8	-179.4	-174.9	0	0	0	0	109.3	T339	T339-V341 PolarHBondContact O-N 3.36Å
342	L	73.8	Confident	62.5	Low	56 Å²	56	108.6 Å²	108.6	29%	0.293	60%	0.601	S	S	.	*	P	Polyproline II helix	trans	-67.9	145.1	176.8	-61.1	173.9	0	0	0	110.6	V340 A344 C346 I348 M353 I368	V340-L342 VanDerWaalsContact C-N 3.28Å; V340-L342 HydrophobicContact CG1-CD2 3.74Å; V340-L342 HydrophobicContact CG1-CG 4.28Å; V340-L342 PolarHBondContact O-N 2.92Å; L342-A344 PolarHBondContact O-N 3.35Å; L342-C346 HydrophobicContact CB-CB 4.34Å; L342-I348 HydrophobicContact CD1-CB 4.45Å; L342-I348 HydrophobicContact CD1-CD1 3.89Å; L342-I348 HydrophobicContact CD1-CG1 3.84Å; L342-I348 HydrophobicContact CD2-CD1 3.52Å; L342-I348 HydrophobicContact CD2-CG1 4.16Å; L342-I348 HydrophobicContact CG-CD1 4.33Å; L342-M353 HydrophobicContact CD2-CE 3.62Å; L342-M353 HydrophobicContact CD2-SD 4.11Å; L342-I368 HydrophobicContact CD2-CD1 4.31Å
343	P	73.6	Confident	65.5	Low	31 Å²	31	99.3 Å²	99.3	20%	0.201	56%	0.558	C	S	.	*	P	Polyproline II helix	trans	-57.5	136.9	168.4	-19.1	29.5	0	0	0	110.7	G345 C346 L360 P364	P343-G345 PolarHBondContact O-N 2.99Å; P343-G345 VanDerWaalsContact O-N 3.15Å; P343-C346 VanDerWaalsContact O-CB 3.32Å; P343-C346 WeakPolarHBondContact O-CB 3.27Å; P343-C346 PolarHBondContact O-N 3.05Å; P343-L360 HydrophobicContact CB-CD2 4.06Å; P343-P364 HydrophobicContact CG-CB 3.79Å
344	A	74.3	Confident	68.6	Low	99 Å²	99	92.3 Å²	92.3	82%	0.818	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	119.4	-179.7	0	0	0	0	0	111	L342 V358	L342-A344 PolarHBondContact O-N 3.35Å; A344-V358 VanDerWaalsContact O-CG1 3.27Å; A344-V358 WeakPolarHBondContact O-CG1 3.23Å
345	G	78.3	Confident	71.3	Confident	62 Å²	62	83.4 Å²	83.4	64%	0.639	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	102.4	-5.1	-173.3	0	0	0	0	0	114.9	P343 V358	P343-G345 PolarHBondContact O-N 2.99Å; P343-G345 VanDerWaalsContact O-N 3.15Å; G345-V358 VanDerWaalsContact O-CG2 3.29Å; G345-V358 WeakPolarHBondContact O-CG2 3.4Å
346	C	87.1	Confident	74.2	Confident	19 Å²	19	79.4 Å²	79.4	13%	0.128	47%	0.468	C	S	.	.			trans	-81.8	146.9	163.4	-65.8	0	0	0	0	111.4	L342 P343 M353 T354 C355	L342-C346 HydrophobicContact CB-CB 4.34Å; P343-C346 VanDerWaalsContact O-CB 3.32Å; P343-C346 WeakPolarHBondContact O-CB 3.27Å; P343-C346 PolarHBondContact O-N 3.05Å; C346-M353 HydrophobicContact CB-CE 3.92Å; C346-T354 CarbonylContact C-O 3.2Å; C346-T354 VanDerWaalsContact CA-O 3.26Å; C346-T354 WeakPolarHBondContact CA-O 3.33Å; C346-C355 HydrophobicContact CB-CB 4.09Å; C346-C355 WeakPolarHBondContact CB-SG 3.4Å; C346-C355 WeakPolarHBondContact SG-CB 3.44Å; C346-C355 CovalentContact SG-SG 2.03Å; C346-C355 PolarHBondContact SG-SG 2.98Å
347	D	88.6	Confident	76.9	Confident	100 Å²	100	76 Å²	76	54%	0.535	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	155.9	172.3	-172.7	25.9	0	0	0	110.8	M353 T354	D347-M353 WeakPolarHBondContact O-CA 3.1Å; D347-T354 PolarHBondContact N-O 3.13Å; D347-T354 PolarHBondContact O-N 3.11Å
348	I	88.8	Confident	79.6	Confident	58 Å²	58	70.4 Å²	70.4	30%	0.297	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	124.2	173.6	-69.9	-169	0	0	0	110.3	L342 S352 M353 I368	L342-I348 HydrophobicContact CD1-CB 4.45Å; L342-I348 HydrophobicContact CD1-CD1 3.89Å; L342-I348 HydrophobicContact CD1-CG1 3.84Å; L342-I348 HydrophobicContact CD2-CD1 3.52Å; L342-I348 HydrophobicContact CD2-CG1 4.16Å; L342-I348 HydrophobicContact CG-CD1 4.33Å; I348-S352 WeakPolarHBondContact CA-O 3.46Å; I348-M353 HydrophobicContact CD1-CB 4.21Å; I348-M353 HydrophobicContact CD1-CG 4.14Å; I348-M353 HydrophobicContact CD1-SD 4.09Å; I348-M353 HydrophobicContact CG1-CB 3.88Å; I348-M353 HydrophobicContact CG1-CG 3.83Å; I348-M353 HydrophobicContact CG1-SD 4.41Å; I348-I368 HydrophobicContact CD1-CD1 3.53Å
349	S	85.6	Confident	82.2	Confident	61 Å²	61	71.3 Å²	71.3	43%	0.427	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	119	174.9	45.9	0	0	0	0	110.3	V351 S352	S349-V351 PolarHBondContact O-N 2.84Å; S349-S352 PolarHBondContact N-O 3.07Å; S349-S352 WeakPolarHBondContact O-CB 3.24Å; S349-S352 PolarHBondContact O-N 3.06Å
350	D	84.8	Confident	84.6	Confident	167 Å²	167	67.5 Å²	67.5	89%	0.893	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.1	-86.9	-174.5	-59.8	-34	0	0	0	114.4
351	V	90.9	Very high	86.3	Confident	55 Å²	55	69 Å²	69	33%	0.333	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.6	20.5	-177.8	-67	0	0	0	0	111.8	S349 L371 K372 S373	S349-V351 PolarHBondContact O-N 2.84Å; V351-L371 WeakPolarHBondContact O-CD1 3.46Å; V351-K372 HydrophobicContact CB-CB 4.3Å; V351-K372 HydrophobicContact CB-CG 4.18Å; V351-K372 HydrophobicContact CG2-CB 4.16Å; V351-K372 HydrophobicContact CG2-CD 4.14Å; V351-K372 HydrophobicContact CG2-CG 4.19Å; V351-K372 PolarHBondContact O-N 2.81Å; V351-S373 PolarHBondContact O-N 3.06Å
352	S	93	Very high	87.7	Confident	36 Å²	36	68.7 Å²	68.7	25%	0.252	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	133.3	-178.4	-51.9	0	0	0	0	110.9	I348 S349 S373	I348-S352 WeakPolarHBondContact CA-O 3.46Å; S349-S352 PolarHBondContact N-O 3.07Å; S349-S352 WeakPolarHBondContact O-CB 3.24Å; S349-S352 PolarHBondContact O-N 3.06Å; S352-S373 WeakPolarHBondContact CA-O 3.46Å; S352-S373 WeakPolarHBondContact OG-CB 3.46Å
353	M	93	Very high	88.6	Confident	0 Å²	0	67 Å²	67	0%	0	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	132.2	176.4	179.4	173	179.5	0	0	109.7	L342 C346 D347 I348 C355 L366 I368 L371 S373 L374 S375	L342-M353 HydrophobicContact CD2-CE 3.62Å; L342-M353 HydrophobicContact CD2-SD 4.11Å; C346-M353 HydrophobicContact CB-CE 3.92Å; D347-M353 WeakPolarHBondContact O-CA 3.1Å; I348-M353 HydrophobicContact CD1-CB 4.21Å; I348-M353 HydrophobicContact CD1-CG 4.14Å; I348-M353 HydrophobicContact CD1-SD 4.09Å; I348-M353 HydrophobicContact CG1-CB 3.88Å; I348-M353 HydrophobicContact CG1-CG 3.83Å; I348-M353 HydrophobicContact CG1-SD 4.41Å; M353-C355 WeakPolarHBondContact CE-SG 3.46Å; M353-L366 HydrophobicContact CE-CD1 4.35Å; M353-L366 HydrophobicContact CE-CD2 3.54Å; M353-L366 HydrophobicContact SD-CD1 3.82Å; M353-L366 HydrophobicContact SD-CD2 3.7Å; M353-L366 HydrophobicContact SD-CG 4.42Å; M353-I368 HydrophobicContact SD-CD1 4.08Å; M353-L371 HydrophobicContact CB-CD1 3.71Å; M353-L371 HydrophobicContact CB-CD2 4.11Å; M353-S373 PolarHBondContact N-O 3.06Å; M353-L374 HydrophobicContact CB-CD1 4.07Å; M353-L374 HydrophobicContact CG-CD1 4.06Å; M353-L374 WeakPolarHBondContact O-CA 3.23Å; M353-L374 HydrophobicContact SD-CD1 4.13Å; M353-S375 PolarHBondContact O-N 3.06Å
354	T	93	Very high	89.4	Confident	47 Å²	47	65.9 Å²	65.9	29%	0.288	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	131.7	-179.8	55.4	0	0	0	0	110.2	C346 D347 S375	C346-T354 CarbonylContact C-O 3.2Å; C346-T354 VanDerWaalsContact CA-O 3.26Å; C346-T354 WeakPolarHBondContact CA-O 3.33Å; D347-T354 PolarHBondContact N-O 3.13Å; D347-T354 PolarHBondContact O-N 3.11Å; T354-S375 WeakPolarHBondContact CA-O 3.47Å
355	C	92.4	Very high	90	Very high	0 Å²	0	67.5 Å²	67.5	0%	0	38%	0.382	C	S	.	.			trans	-136	54.4	178.8	-53.7	0	0	0	0	110.1	C346 M353 V358 L360 S375 L376 N379	C346-C355 HydrophobicContact CB-CB 4.09Å; C346-C355 WeakPolarHBondContact CB-SG 3.4Å; C346-C355 WeakPolarHBondContact SG-CB 3.44Å; C346-C355 CovalentContact SG-SG 2.03Å; C346-C355 PolarHBondContact SG-SG 2.98Å; M353-C355 WeakPolarHBondContact CE-SG 3.46Å; C355-V358 VanDerWaalsContact C-CG2 3.45Å; C355-V358 HydrophobicContact CB-CG2 4.2Å; C355-V358 WeakPolarHBondContact O-CG2 3.13Å; C355-L360 HydrophobicContact CB-CD1 3.95Å; C355-S375 PolarHBondContact N-O 2.97Å; C355-L376 HydrophobicContact CB-CD2 3.66Å; C355-N379 PolarHBondContact O-ND2 3.47Å
356	E	91.1	Very high	90.5	Very high	94 Å²	94	65.2 Å²	65.2	44%	0.439	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	129.8	-165.9	-60.8	-174.3	176.2	0	0	112.2	V358 S375 E377	E356-V358 PolarHBondContact O-N 3.03Å; E356-S375 VanDerWaalsContact OE1-CB 3.28Å; E356-S375 WeakPolarHBondContact OE1-CB 3.33Å; E356-S375 PolarHBondContact OE1-OG 3.07Å; E356-E377 WeakPolarHBondContact CA-O 3.37Å; E356-E377 HydrophobicContact CG-CB 4.42Å
357	N	91.5	Very high	90.6	Very high	112 Å²	112	70 Å²	70	60%	0.599	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.1	19.4	-177.9	-50.3	-82.8	0	0	0	115.8	Q359 E377 G378	N357-Q359 PolarHBondContact O-N 2.85Å; N357-Q359 VanDerWaalsContact O-N 3.11Å; N357-E377 PolarHBondContact N-O 3.05Å; N357-G378 WeakPolarHBondContact CA-O 3.19Å
358	V	92.4	Very high	90.7	Very high	39 Å²	39	66.6 Å²	66.6	24%	0.236	36%	0.361	C	S	.	.			trans	-74.1	4.6	-179.2	-175.9	0	0	0	0	113.1	A344 G345 C355 E356 L360 N379	A344-V358 VanDerWaalsContact O-CG1 3.27Å; A344-V358 WeakPolarHBondContact O-CG1 3.23Å; G345-V358 VanDerWaalsContact O-CG2 3.29Å; G345-V358 WeakPolarHBondContact O-CG2 3.4Å; C355-V358 VanDerWaalsContact C-CG2 3.45Å; C355-V358 HydrophobicContact CB-CG2 4.2Å; C355-V358 WeakPolarHBondContact O-CG2 3.13Å; E356-V358 PolarHBondContact O-N 3.03Å; V358-L360 HydrophobicContact CB-CG 4.18Å; V358-L360 HydrophobicContact CG1-CD2 4.15Å; V358-L360 HydrophobicContact CG1-CG 4.15Å; V358-L360 PolarHBondContact O-N 2.96Å; V358-N379 PolarHBondContact N-OD1 3.12Å
359	Q	92.5	Very high	90.8	Very high	144 Å²	144	67.1 Å²	67.1	67%	0.673	37%	0.368	S	S	*	.			trans	62.9	13.9	179.1	-49.4	-173.6	6.5	0	0	115.8	N357 I361 N379 N380	N357-Q359 PolarHBondContact O-N 2.85Å; N357-Q359 VanDerWaalsContact O-N 3.11Å; Q359-I361 PolarHBondContact O-N 3.25Å; Q359-N379 PolarHBondContact N-OD1 3.34Å; Q359-N380 PolarHBondContact O-ND2 2.93Å
360	L	92.4	Very high	91.1	Very high	28 Å²	28	70.5 Å²	70.5	15%	0.147	38%	0.377	C	S	.	.			trans	-51.3	126.2	-177.1	-62.1	172.3	0	0	0	112.1	P343 C355 V358 L376 N379 N380 I381	P343-L360 HydrophobicContact CB-CD2 4.06Å; C355-L360 HydrophobicContact CB-CD1 3.95Å; V358-L360 HydrophobicContact CB-CG 4.18Å; V358-L360 HydrophobicContact CG1-CD2 4.15Å; V358-L360 HydrophobicContact CG1-CG 4.15Å; V358-L360 PolarHBondContact O-N 2.96Å; L360-L376 HydrophobicContact CD1-CD2 4.27Å; L360-N379 HydrophobicContact CB-CB 4.11Å; L360-N379 WeakPolarHBondContact CB-OD1 3.47Å; L360-N379 PolarHBondContact N-OD1 2.88Å; L360-N380 CarbonylContact O-C 3.47Å; L360-N380 VanDerWaalsContact O-CA 3.24Å; L360-N380 WeakPolarHBondContact O-CA 3.25Å; L360-N380 WeakPolarHBondContact O-CB 3.29Å; L360-N380 PolarHBondContact O-N 3.21Å; L360-I381 HydrophobicContact CB-CD1 4.42Å; L360-I381 HydrophobicContact CB-CG1 4.19Å; L360-I381 WeakPolarHBondContact O-CG1 3.17Å; L360-I381 PolarHBondContact O-N 3.03Å; L360-I381 VanDerWaalsContact O-N 3.1Å
361	I	93.4	Very high	91.6	Very high	105 Å²	105	62.6 Å²	62.6	54%	0.538	34%	0.335	S	S	.	.	S	Bend	trans	-92.9	-24.2	-177.7	-58	173.1	0	0	0	111.8	Q359 N380 I381	Q359-I361 PolarHBondContact O-N 3.25Å; I361-N380 HydrophobicContact CG1-CB 4.15Å; I361-I381 WeakPolarHBondContact O-CA 3.03Å
362	H	92.1	Very high	91.9	Very high	129 Å²	129	64 Å²	64	60%	0.597	34%	0.337	S	S	*	.	S	Bend	trans	-129	153.2	-179.5	-59.8	-45.8	0	0	0	109.9
363	F	92.1	Very high	92.1	Very high	21 Å²	21	63.5 Å²	63.5	9%	0.092	33%	0.333	C	S	.	.			trans	-62.2	127.5	172.3	-169.3	-84	0	0	0	109.7	L374 L376 I381 I384 A388 F389	F363-L374 HydrophobicContact CE2-CD2 4.23Å; F363-L374 HydrophobicContact CZ-CD2 3.91Å; F363-L376 HydrophobicContact CD2-CD1 3.9Å; F363-L376 HydrophobicContact CE2-CD1 3.7Å; F363-L376 HydrophobicContact CZ-CD1 4.46Å; F363-I381 HydrophobicContact CB-CG2 4.46Å; F363-I384 HydrophobicContact CD2-CG2 4.48Å; F363-A388 HydrophobicContact CD1-CB 3.82Å; F363-A388 HydrophobicContact CE1-CB 3.87Å; F363-A388 WeakPolarHBondContact CE1-O 3.35Å; F363-A388 HydrophobicContact CG-CB 4.29Å; F363-A388 HydrophobicContact CZ-CB 4.38Å; F363-F389 HydrophobicContact CE2-CD1 4.4Å; F363-F389 AromaticContact CE2-CE1 3.6Å; F363-F389 HydrophobicContact CE2-CE1 3.6Å; F363-F389 AromaticContact CE2-CZ 3.81Å; F363-F389 HydrophobicContact CE2-CZ 3.81Å; F363-F389 AromaticContact CZ-CD1 3.82Å; F363-F389 HydrophobicContact CZ-CD1 3.82Å; F363-F389 AromaticContact CZ-CE1 3.49Å; F363-F389 HydrophobicContact CZ-CE1 3.49Å; F363-F389 VanDerWaalsContact CZ-CE1 3.49Å; F363-F389 HydrophobicContact CZ-CZ 4.03Å
364	P	89.6	Confident	92.3	Very high	8 Å²	8	63.5 Å²	63.5	5%	0.052	33%	0.333	C	S	.	.			trans	-70.2	145.9	-176.8	28.3	-34.2	0	0	0	111.6	P343 L366 L376	P343-P364 HydrophobicContact CG-CB 3.79Å; P364-L366 HydrophobicContact CB-CD2 4.17Å; P364-L366 HydrophobicContact CB-CG 4.39Å; P364-L366 HydrophobicContact CG-CD1 4.19Å; P364-L366 HydrophobicContact CG-CD2 4.15Å; P364-L366 HydrophobicContact CG-CG 4.09Å; P364-L366 PolarHBondContact O-N 3.12Å; P364-L376 HydrophobicContact CG-CD2 4.44Å
365	P	87.1	Confident	92.4	Very high	133 Å²	133	61.2 Å²	61.2	86%	0.864	32%	0.319	S	S	*	.			trans	-72.4	111.9	172	29.6	-32.2	0	0	0	109.7
366	L	88.8	Confident	92.6	Very high	14 Å²	14	61.2 Å²	61.2	7%	0.073	32%	0.319	C	S	.	.			trans	-117.3	132.8	-176.4	-60.2	-179.3	0	0	0	111.5	M353 P364 L374 G391 I392	M353-L366 HydrophobicContact CE-CD1 4.35Å; M353-L366 HydrophobicContact CE-CD2 3.54Å; M353-L366 HydrophobicContact SD-CD1 3.82Å; M353-L366 HydrophobicContact SD-CD2 3.7Å; M353-L366 HydrophobicContact SD-CG 4.42Å; P364-L366 HydrophobicContact CB-CD2 4.17Å; P364-L366 HydrophobicContact CB-CG 4.39Å; P364-L366 HydrophobicContact CG-CD1 4.19Å; P364-L366 HydrophobicContact CG-CD2 4.15Å; P364-L366 HydrophobicContact CG-CG 4.09Å; P364-L366 PolarHBondContact O-N 3.12Å; L366-L374 HydrophobicContact CD1-CD1 3.89Å; L366-L374 HydrophobicContact CD1-CD2 4.02Å; L366-G391 WeakPolarHBondContact O-CA 3.49Å; L366-I392 HydrophobicContact CB-CD1 4Å; L366-I392 HydrophobicContact CB-CG2 3.98Å; L366-I392 HydrophobicContact CD1-CD1 3.82Å
367	N	90	Very high	92.9	Very high	120 Å²	120	58.3 Å²	58.3	64%	0.642	31%	0.306	S	S	*	.	B	Isolated β-bridge	trans	-137	79.5	176.3	-172.7	51.7	0	0	0	109.7	G391	N367-G391 CarbonylContact C-O 3.57Å
368	I	90.8	Very high	93.1	Very high	27 Å²	27	54 Å²	54	14%	0.138	29%	0.287	C	S	.	.			trans	-137.9	80.8	-171.6	-45.6	178.9	0	0	0	108	V340 L342 I348 M353 E370 L371 G391 I392	V340-I368 HydrophobicContact CG1-CD1 3.81Å; V340-I368 HydrophobicContact CG1-CG1 3.94Å; L342-I368 HydrophobicContact CD2-CD1 4.31Å; I348-I368 HydrophobicContact CD1-CD1 3.53Å; M353-I368 HydrophobicContact SD-CD1 4.08Å; I368-E370 PolarHBondContact O-N 3.06Å; I368-E370 VanDerWaalsContact O-N 3.1Å; I368-L371 HydrophobicContact CB-CB 4.08Å; I368-L371 HydrophobicContact CG2-CB 4.04Å; I368-L371 WeakPolarHBondContact O-CB 3.25Å; I368-L371 PolarHBondContact O-N 2.82Å; I368-G391 CarbonylContact C-O 3.09Å; I368-G391 PolarHBondContact N-O 2.72Å; I368-I392 HydrophobicContact CB-CG2 4.04Å
369	P	90.8	Very high	93.3	Very high	69 Å²	69	52.4 Å²	52.4	45%	0.448	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-27.8	-166.5	-28.7	37.3	0	0	0	115.7	L371 N394	P369-L371 VanDerWaalsContact C-N 3.3Å; P369-L371 PolarHBondContact O-N 2.99Å; P369-N394 PolarHBondContact O-ND2 2.95Å
370	E	92.4	Very high	93.5	Very high	132 Å²	132	47.8 Å²	47.8	62%	0.617	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-5	177.8	-61.8	-54.9	135.5	0	0	113.9	I368 K372	I368-E370 PolarHBondContact O-N 3.06Å; I368-E370 VanDerWaalsContact O-N 3.1Å; E370-K372 PolarHBondContact O-N 3.38Å
371	L	95	Very high	93.7	Very high	2 Å²	2	46.4 Å²	46.4	1%	0.01	25%	0.25	C	S	.	.			trans	-67.2	126.6	-176	-166.2	75.2	0	0	0	111.9	V351 M353 I368 P369 L374 I392 N394 L395	V351-L371 WeakPolarHBondContact O-CD1 3.46Å; M353-L371 HydrophobicContact CB-CD1 3.71Å; M353-L371 HydrophobicContact CB-CD2 4.11Å; I368-L371 HydrophobicContact CB-CB 4.08Å; I368-L371 HydrophobicContact CG2-CB 4.04Å; I368-L371 WeakPolarHBondContact O-CB 3.25Å; I368-L371 PolarHBondContact O-N 2.82Å; P369-L371 VanDerWaalsContact C-N 3.3Å; P369-L371 PolarHBondContact O-N 2.99Å; L371-L374 HydrophobicContact CD2-CB 4.39Å; L371-I392 HydrophobicContact CB-CB 4.44Å; L371-I392 HydrophobicContact CB-CG2 4.13Å; L371-I392 HydrophobicContact CD2-CB 4.32Å; L371-I392 HydrophobicContact CD2-CD1 4.39Å; L371-I392 HydrophobicContact CD2-CG2 3.87Å; L371-N394 CarbonylContact O-C 3.35Å; L371-L395 HydrophobicContact CD2-CD2 4.01Å; L371-L395 HydrophobicContact CG-CD2 4Å; L371-L395 PolarHBondContact O-N 2.79Å
372	K	96.5	Very high	93.9	Very high	83 Å²	83	43.8 Å²	43.8	36%	0.361	24%	0.241	S	C	.	.			trans	-111.1	-24.2	-179.4	-64.7	-166.4	171.3	-151	0	114.3	V351 E370 E396 W397	V351-K372 HydrophobicContact CB-CB 4.3Å; V351-K372 HydrophobicContact CB-CG 4.18Å; V351-K372 HydrophobicContact CG2-CB 4.16Å; V351-K372 HydrophobicContact CG2-CD 4.14Å; V351-K372 HydrophobicContact CG2-CG 4.19Å; V351-K372 PolarHBondContact O-N 2.81Å; E370-K372 PolarHBondContact O-N 3.38Å; K372-E396 IonicContact NZ-OE1 2.71Å; K372-E396 PolarHBondContact NZ-OE1 3.39Å; K372-E396 VanDerWaalsContact NZ-OE1 3.17Å; K372-E396 PolarHBondContact O-N 3.23Å; K372-W397 PolarHBondContact O-N 2.64Å; K372-W397 VanDerWaalsContact O-N 3.11Å
373	S	97.1	Very high	94.1	Very high	26 Å²	26	39.6 Å²	39.6	18%	0.182	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	132.1	-175.7	-68.9	0	0	0	0	110.3	V351 S352 M353	V351-S373 PolarHBondContact O-N 3.06Å; S352-S373 WeakPolarHBondContact CA-O 3.46Å; S352-S373 WeakPolarHBondContact OG-CB 3.46Å; M353-S373 PolarHBondContact N-O 3.06Å
374	L	96.6	Very high	94.3	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	116.6	176.8	176.9	62.5	0	0	0	110.4	M353 F363 L366 L371 L376 F389 I392 L395 W397 I398 N399	M353-L374 HydrophobicContact CB-CD1 4.07Å; M353-L374 HydrophobicContact CG-CD1 4.06Å; M353-L374 WeakPolarHBondContact O-CA 3.23Å; M353-L374 HydrophobicContact SD-CD1 4.13Å; F363-L374 HydrophobicContact CE2-CD2 4.23Å; F363-L374 HydrophobicContact CZ-CD2 3.91Å; L366-L374 HydrophobicContact CD1-CD1 3.89Å; L366-L374 HydrophobicContact CD1-CD2 4.02Å; L371-L374 HydrophobicContact CD2-CB 4.39Å; L374-L376 HydrophobicContact CD1-CD2 3.96Å; L374-L376 HydrophobicContact CD1-CG 4.05Å; L374-L376 HydrophobicContact CD2-CD1 4.25Å; L374-L376 HydrophobicContact CG-CD1 4.39Å; L374-L376 HydrophobicContact CG-CG 4.11Å; L374-F389 HydrophobicContact CD2-CE1 4.27Å; L374-I392 HydrophobicContact CD2-CD1 3.95Å; L374-L395 HydrophobicContact CB-CD1 4.46Å; L374-L395 HydrophobicContact CB-CD2 3.91Å; L374-L395 HydrophobicContact CD2-CD1 4.47Å; L374-W397 PolarHBondContact N-O 3.46Å; L374-W397 VanDerWaalsContact N-O 3.1Å; L374-I398 WeakPolarHBondContact O-CA 3.31Å; L374-N399 PolarHBondContact O-N 2.77Å
375	S	96.8	Very high	94.4	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	121.2	171.3	-166.3	0	0	0	0	111.5	M353 T354 C355 E356 N399	M353-S375 PolarHBondContact O-N 3.06Å; T354-S375 WeakPolarHBondContact CA-O 3.47Å; C355-S375 PolarHBondContact N-O 2.97Å; E356-S375 VanDerWaalsContact OE1-CB 3.28Å; E356-S375 WeakPolarHBondContact OE1-CB 3.33Å; E356-S375 PolarHBondContact OE1-OG 3.07Å; S375-N399 PolarHBondContact OG-ND2 2.9Å
376	L	96.2	Very high	94.6	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	23%	0.226	C	C	.	.			trans	-122.2	30.3	175.2	-58.4	178.5	0	0	0	110.6	C355 L360 F363 P364 L374 N379 I381 N399 L400 N403	C355-L376 HydrophobicContact CB-CD2 3.66Å; L360-L376 HydrophobicContact CD1-CD2 4.27Å; F363-L376 HydrophobicContact CD2-CD1 3.9Å; F363-L376 HydrophobicContact CE2-CD1 3.7Å; F363-L376 HydrophobicContact CZ-CD1 4.46Å; P364-L376 HydrophobicContact CG-CD2 4.44Å; L374-L376 HydrophobicContact CD1-CD2 3.96Å; L374-L376 HydrophobicContact CD1-CG 4.05Å; L374-L376 HydrophobicContact CD2-CD1 4.25Å; L374-L376 HydrophobicContact CG-CD1 4.39Å; L374-L376 HydrophobicContact CG-CG 4.11Å; L376-N379 VanDerWaalsContact C-ND2 3.3Å; L376-N379 PolarHBondContact O-ND2 3.49Å; L376-I381 HydrophobicContact CB-CD1 4.16Å; L376-I381 HydrophobicContact CD1-CD1 3.85Å; L376-N399 PolarHBondContact N-O 3.07Å; L376-L400 HydrophobicContact CB-CD2 4.25Å; L376-L400 HydrophobicContact CD1-CD2 4.04Å; L376-N403 PolarHBondContact O-ND2 2.92Å
377	E	96.8	Very high	94.6	Very high	33 Å²	33	38.8 Å²	38.8	15%	0.154	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	145	-176.7	-178.2	162.3	167.5	0	0	113.1	E356 N357 N379 N399 K401 K402	E356-E377 WeakPolarHBondContact CA-O 3.37Å; E356-E377 HydrophobicContact CG-CB 4.42Å; N357-E377 PolarHBondContact N-O 3.05Å; E377-N379 PolarHBondContact O-N 3.08Å; E377-N379 PolarHBondContact O-ND2 2.93Å; E377-N399 PolarHBondContact OE2-ND2 3.36Å; E377-K401 VanDerWaalsContact CA-O 3.31Å; E377-K401 WeakPolarHBondContact CA-O 3.49Å; E377-K401 HydrophobicContact CG-CB 4.03Å; E377-K401 HydrophobicContact CG-CG 4.13Å; E377-K401 WeakPolarHBondContact OE1-CE 3.18Å; E377-K401 IonicContact OE1-NZ 2.61Å; E377-K401 PolarHBondContact OE1-NZ 3.21Å; E377-K401 IonicContact OE2-NZ 2.68Å; E377-K402 HydrophobicContact CG-CB 4.28Å; E377-K402 HydrophobicContact CG-CD 4.35Å; E377-K402 IonicContact OE1-NZ 3.22Å
378	G	96.3	Very high	94.7	Very high	20 Å²	20	33.8 Å²	33.8	21%	0.206	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.4	20.7	172.5	0	0	0	0	0	114.9	N357 K401 K402	N357-G378 WeakPolarHBondContact CA-O 3.19Å; G378-K401 PolarHBondContact N-O 3.5Å; G378-K402 CarbonylContact C-O 3.56Å; G378-K402 VanDerWaalsContact CA-O 3.24Å; G378-K402 WeakPolarHBondContact CA-O 3.3Å; G378-K402 PolarHBondContact N-O 3.01Å
379	N	96.4	Very high	94.9	Very high	6 Å²	6	32.7 Å²	32.7	3%	0.032	20%	0.203	C	C	.	.			trans	-98.6	-175.8	-179.3	-74.9	-73.3	0	0	0	112.5	C355 V358 Q359 L360 L376 E377 I381 K402 N403	C355-N379 PolarHBondContact O-ND2 3.47Å; V358-N379 PolarHBondContact N-OD1 3.12Å; Q359-N379 PolarHBondContact N-OD1 3.34Å; L360-N379 HydrophobicContact CB-CB 4.11Å; L360-N379 WeakPolarHBondContact CB-OD1 3.47Å; L360-N379 PolarHBondContact N-OD1 2.88Å; L376-N379 VanDerWaalsContact C-ND2 3.3Å; L376-N379 PolarHBondContact O-ND2 3.49Å; E377-N379 PolarHBondContact O-N 3.08Å; E377-N379 PolarHBondContact O-ND2 2.93Å; N379-I381 HydrophobicContact CB-CD1 4.34Å; N379-I381 HydrophobicContact CB-CG1 4.07Å; N379-K402 PolarHBondContact N-O 3.14Å; N379-N403 WeakPolarHBondContact CA-OD1 3.16Å; N379-N403 WeakPolarHBondContact CB-OD1 3.42Å; N379-N403 PolarHBondContact O-OD1 2.9Å
380	N	96.9	Very high	95	Very high	47 Å²	47	35.3 Å²	35.3	25%	0.251	21%	0.213	S	C	.	.			trans	-104.7	15.8	179.9	-69.3	-64.3	0	0	0	112.8	Q359 L360 I361 S382 K404	Q359-N380 PolarHBondContact O-ND2 2.93Å; L360-N380 CarbonylContact O-C 3.47Å; L360-N380 VanDerWaalsContact O-CA 3.24Å; L360-N380 WeakPolarHBondContact O-CA 3.25Å; L360-N380 WeakPolarHBondContact O-CB 3.29Å; L360-N380 PolarHBondContact O-N 3.21Å; I361-N380 HydrophobicContact CG1-CB 4.15Å; N380-S382 PolarHBondContact O-N 2.92Å; N380-K404 HydrophobicContact CB-CD 4.39Å; N380-K404 WeakPolarHBondContact OD1-CE 3.39Å; N380-K404 PolarHBondContact OD1-NZ 3.06Å
381	I	96.8	Very high	94.9	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	19%	0.191	C	C	.	.			trans	-65.4	119.9	-168.8	-55.4	174	0	0	0	109.5	L360 I361 F363 L376 N379 S383 N403 K404 L405	L360-I381 HydrophobicContact CB-CD1 4.42Å; L360-I381 HydrophobicContact CB-CG1 4.19Å; L360-I381 WeakPolarHBondContact O-CG1 3.17Å; L360-I381 PolarHBondContact O-N 3.03Å; L360-I381 VanDerWaalsContact O-N 3.1Å; I361-I381 WeakPolarHBondContact O-CA 3.03Å; F363-I381 HydrophobicContact CB-CG2 4.46Å; L376-I381 HydrophobicContact CB-CD1 4.16Å; L376-I381 HydrophobicContact CD1-CD1 3.85Å; N379-I381 HydrophobicContact CB-CD1 4.34Å; N379-I381 HydrophobicContact CB-CG1 4.07Å; I381-S383 WeakPolarHBondContact CG2-O 3.22Å; I381-N403 VanDerWaalsContact CB-OD1 3.27Å; I381-N403 WeakPolarHBondContact CB-OD1 3.36Å; I381-N403 WeakPolarHBondContact CG1-OD1 3.32Å; I381-N403 PolarHBondContact N-OD1 2.69Å; I381-K404 CarbonylContact O-C 3.53Å; I381-K404 WeakPolarHBondContact O-CA 3.34Å; I381-K404 PolarHBondContact O-N 2.88Å; I381-L405 HydrophobicContact CG2-CD2 3.96Å; I381-L405 WeakPolarHBondContact O-CD2 3.4Å; I381-L405 PolarHBondContact O-N 3.27Å; I381-L405 VanDerWaalsContact O-N 3.13Å
382	S	96.3	Very high	94.8	Very high	49 Å²	49	29.6 Å²	29.6	34%	0.343	19%	0.19	S	C	.	.			trans	-98.9	-16.5	-177.8	63.8	0	0	0	0	114.7	N380 K404	N380-S382 PolarHBondContact O-N 2.92Å; S382-K404 WeakPolarHBondContact CA-O 3.48Å
383	S	96.1	Very high	94.7	Very high	41 Å²	41	28.2 Å²	28.2	29%	0.287	19%	0.19	S	C	.	.			trans	-151	151.9	-173.5	48	0	0	0	0	113.2	I381 G409	I381-S383 WeakPolarHBondContact CG2-O 3.22Å; S383-G409 CarbonylContact C-O 3.46Å; S383-G409 WeakPolarHBondContact CA-O 3.44Å; S383-G409 WeakPolarHBondContact CB-O 3.38Å
384	I	96.4	Very high	94.6	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	20%	0.196	C	C	.	.	B	Isolated β-bridge	trans	-125.2	109.5	173.8	-51.7	175.9	0	0	0	107.3	F363 A388 F389 L400 L405 G409 I410 D411 A414 F415	F363-I384 HydrophobicContact CD2-CG2 4.48Å; I384-A388 HydrophobicContact CG2-CB 3.63Å; I384-F389 HydrophobicContact CG2-CE2 3.8Å; I384-F389 HydrophobicContact CG2-CZ 4.18Å; I384-L400 HydrophobicContact CD1-CD1 3.67Å; I384-L405 HydrophobicContact CD1-CD1 4Å; I384-L405 HydrophobicContact CD1-CD2 4.12Å; I384-L405 HydrophobicContact CG1-CD2 3.75Å; I384-G409 PolarHBondContact N-O 2.81Å; I384-I410 HydrophobicContact CD1-CD1 4.31Å; I384-I410 HydrophobicContact CD1-CG1 4.13Å; I384-I410 HydrophobicContact CG1-CG1 4.31Å; I384-D411 PolarHBondContact O-N 3.32Å; I384-A414 HydrophobicContact CB-CB 4.28Å; I384-A414 HydrophobicContact CG2-CB 3.82Å; I384-F415 HydrophobicContact CD1-CE1 4.49Å; I384-F415 HydrophobicContact CD1-CZ 3.97Å
385	P	93.4	Very high	94.7	Very high	73 Å²	73	29.8 Å²	29.8	47%	0.474	20%	0.196	S	C	.	.			trans	-73.3	162.6	-176.7	29.7	-34.9	0	0	0	112.8	G387 A388	P385-G387 PolarHBondContact O-N 3.22Å; P385-A388 HydrophobicContact CG-CB 4.11Å; P385-A388 WeakPolarHBondContact O-CB 3.44Å; P385-A388 PolarHBondContact O-N 2.92Å; P385-A388 VanDerWaalsContact O-N 3.15Å
386	A	91.3	Very high	94.7	Very high	64 Å²	64	32.4 Å²	32.4	53%	0.529	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	127.5	171.3	0	0	0	0	0	110.9	A388 D411	A386-A388 VanDerWaalsContact C-N 3.31Å; A386-A388 PolarHBondContact O-N 2.8Å; A386-D411 HydrophobicContact CB-CB 4.22Å
387	G	88.3	Confident	94.8	Very high	22 Å²	22	35.5 Å²	35.5	23%	0.227	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.2	16.3	178.1	0	0	0	0	0	115.7	P385 F389 N390	P385-G387 PolarHBondContact O-N 3.22Å; G387-F389 PolarHBondContact O-N 2.96Å; G387-F389 VanDerWaalsContact O-N 3.07Å; G387-N390 WeakPolarHBondContact CA-ND2 3.32Å; G387-N390 WeakPolarHBondContact CA-OD1 3.36Å; G387-N390 VanDerWaalsContact O-CB 3.24Å; G387-N390 WeakPolarHBondContact O-CB 3.44Å; G387-N390 PolarHBondContact O-N 3.37Å; G387-N390 PolarHBondContact O-ND2 3.03Å
388	A	91.9	Very high	94.9	Very high	15 Å²	15	34 Å²	34	12%	0.124	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.4	-33.6	176.2	0	0	0	0	0	113.9	F363 I384 P385 A386	F363-A388 HydrophobicContact CD1-CB 3.82Å; F363-A388 HydrophobicContact CE1-CB 3.87Å; F363-A388 WeakPolarHBondContact CE1-O 3.35Å; F363-A388 HydrophobicContact CG-CB 4.29Å; F363-A388 HydrophobicContact CZ-CB 4.38Å; I384-A388 HydrophobicContact CG2-CB 3.63Å; P385-A388 HydrophobicContact CG-CB 4.11Å; P385-A388 WeakPolarHBondContact O-CB 3.44Å; P385-A388 PolarHBondContact O-N 2.92Å; P385-A388 VanDerWaalsContact O-N 3.15Å; A386-A388 VanDerWaalsContact C-N 3.31Å; A386-A388 PolarHBondContact O-N 2.8Å
389	F	94.7	Very high	95	Very high	5 Å²	5	33.3 Å²	33.3	2%	0.022	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	8.8	-179.1	-50.3	-87.6	0	0	0	114.3	F363 L374 I384 G387 G391 I392 L395 I398 A414 F415 L418	F363-F389 HydrophobicContact CE2-CD1 4.4Å; F363-F389 AromaticContact CE2-CE1 3.6Å; F363-F389 HydrophobicContact CE2-CE1 3.6Å; F363-F389 AromaticContact CE2-CZ 3.81Å; F363-F389 HydrophobicContact CE2-CZ 3.81Å; F363-F389 AromaticContact CZ-CD1 3.82Å; F363-F389 HydrophobicContact CZ-CD1 3.82Å; F363-F389 AromaticContact CZ-CE1 3.49Å; F363-F389 HydrophobicContact CZ-CE1 3.49Å; F363-F389 VanDerWaalsContact CZ-CE1 3.49Å; F363-F389 HydrophobicContact CZ-CZ 4.03Å; L374-F389 HydrophobicContact CD2-CE1 4.27Å; I384-F389 HydrophobicContact CG2-CE2 3.8Å; I384-F389 HydrophobicContact CG2-CZ 4.18Å; G387-F389 PolarHBondContact O-N 2.96Å; G387-F389 VanDerWaalsContact O-N 3.07Å; F389-G391 VanDerWaalsContact C-N 3.28Å; F389-G391 PolarHBondContact O-N 2.94Å; F389-I392 HydrophobicContact CB-CD1 4.49Å; F389-I392 HydrophobicContact CB-CG1 3.96Å; F389-I392 HydrophobicContact CD1-CD1 3.95Å; F389-I392 HydrophobicContact CD1-CG1 4.28Å; F389-I392 CarbonylContact O-C 3.5Å; F389-I392 WeakPolarHBondContact O-CG1 3.42Å; F389-I392 PolarHBondContact O-N 3.14Å; F389-L395 HydrophobicContact CD1-CD1 3.75Å; F389-L395 HydrophobicContact CE1-CD1 4.42Å; F389-I398 HydrophobicContact CD1-CD1 3.9Å; F389-I398 HydrophobicContact CE1-CD1 3.51Å; F389-I398 HydrophobicContact CE1-CG1 4.21Å; F389-I398 HydrophobicContact CE1-CG2 4.5Å; F389-I398 HydrophobicContact CZ-CD1 3.93Å; F389-A414 WeakPolarHBondContact CD2-O 3.35Å; F389-F415 HydrophobicContact CD2-CD1 4.34Å; F389-F415 AromaticContact CE2-CD1 3.65Å; F389-F415 HydrophobicContact CE2-CD1 3.65Å; F389-F415 AromaticContact CE2-CE1 3.68Å; F389-F415 HydrophobicContact CE2-CE1 3.68Å; F389-F415 HydrophobicContact CZ-CD1 4.11Å; F389-F415 AromaticContact CZ-CE1 3.78Å; F389-F415 HydrophobicContact CZ-CE1 3.78Å; F389-L418 HydrophobicContact CB-CD1 4.1Å; F389-L418 HydrophobicContact CB-CD2 3.82Å; F389-L418 HydrophobicContact CB-CG 4.13Å; F389-L418 HydrophobicContact CD1-CD1 4.33Å; F389-L418 HydrophobicContact CD2-CD1 4.01Å; F389-L418 HydrophobicContact CG-CD1 3.9Å; F389-L418 HydrophobicContact CG-CD2 4.45Å; F389-L418 HydrophobicContact CG-CG 4.47Å
390	N	92.1	Very high	95.1	Very high	124 Å²	124	33.1 Å²	33.1	66%	0.663	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-35.1	-174.4	-78.2	-9.5	0	0	0	113.6	G387 I392	G387-N390 WeakPolarHBondContact CA-ND2 3.32Å; G387-N390 WeakPolarHBondContact CA-OD1 3.36Å; G387-N390 VanDerWaalsContact O-CB 3.24Å; G387-N390 WeakPolarHBondContact O-CB 3.44Å; G387-N390 PolarHBondContact O-N 3.37Å; G387-N390 PolarHBondContact O-ND2 3.03Å; N390-I392 VanDerWaalsContact C-N 3.3Å
391	G	90.3	Very high	95.1	Very high	14 Å²	14	33.2 Å²	33.2	14%	0.144	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-83.4	-0.7	177.1	0	0	0	0	0	114.5	L366 N367 I368 F389 P393	L366-G391 WeakPolarHBondContact O-CA 3.49Å; N367-G391 CarbonylContact C-O 3.57Å; I368-G391 CarbonylContact C-O 3.09Å; I368-G391 PolarHBondContact N-O 2.72Å; F389-G391 VanDerWaalsContact C-N 3.28Å; F389-G391 PolarHBondContact O-N 2.94Å; G391-P393 VanDerWaalsContact C-CD 3.49Å
392	I	94.4	Very high	95.1	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	22%	0.22	C	C	.	.			trans	-134.7	56	-178.3	55.2	-172.9	0	0	0	110.7	L366 I368 L371 L374 F389 N390 N394 L395	L366-I392 HydrophobicContact CB-CD1 4Å; L366-I392 HydrophobicContact CB-CG2 3.98Å; L366-I392 HydrophobicContact CD1-CD1 3.82Å; I368-I392 HydrophobicContact CB-CG2 4.04Å; L371-I392 HydrophobicContact CB-CB 4.44Å; L371-I392 HydrophobicContact CB-CG2 4.13Å; L371-I392 HydrophobicContact CD2-CB 4.32Å; L371-I392 HydrophobicContact CD2-CD1 4.39Å; L371-I392 HydrophobicContact CD2-CG2 3.87Å; L374-I392 HydrophobicContact CD2-CD1 3.95Å; F389-I392 HydrophobicContact CB-CD1 4.49Å; F389-I392 HydrophobicContact CB-CG1 3.96Å; F389-I392 HydrophobicContact CD1-CD1 3.95Å; F389-I392 HydrophobicContact CD1-CG1 4.28Å; F389-I392 CarbonylContact O-C 3.5Å; F389-I392 WeakPolarHBondContact O-CG1 3.42Å; F389-I392 PolarHBondContact O-N 3.14Å; N390-I392 VanDerWaalsContact C-N 3.3Å; I392-N394 VanDerWaalsContact C-N 3.28Å; I392-N394 PolarHBondContact O-N 2.9Å; I392-L395 HydrophobicContact CB-CD1 4.26Å; I392-L395 HydrophobicContact CB-CG 4.3Å; I392-L395 HydrophobicContact CD1-CD1 3.75Å; I392-L395 HydrophobicContact CG1-CD1 3.78Å; I392-L395 HydrophobicContact CG1-CG 4.36Å; I392-L395 WeakPolarHBondContact O-CG 3.31Å
393	P	94.1	Very high	95.2	Very high	54 Å²	54	35.6 Å²	35.6	35%	0.351	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-14	-167.4	31.9	-38.6	0	0	0	114.9	G391	G391-P393 VanDerWaalsContact C-CD 3.49Å
394	N	95.6	Very high	95.3	Very high	58 Å²	58	38.7 Å²	38.7	31%	0.31	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	8.1	-173.9	-71	-43.8	0	0	0	114.1	P369 L371 I392 E396	P369-N394 PolarHBondContact O-ND2 2.95Å; L371-N394 CarbonylContact O-C 3.35Å; I392-N394 VanDerWaalsContact C-N 3.28Å; I392-N394 PolarHBondContact O-N 2.9Å; N394-E396 PolarHBondContact O-N 2.93Å
395	L	97.6	Very high	95.4	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.215	C	C	.	.			trans	-55.4	125.8	178.8	-73.5	173.1	0	0	0	112.6	L371 L374 F389 I392 I398 L418 M420 L421	L371-L395 HydrophobicContact CD2-CD2 4.01Å; L371-L395 HydrophobicContact CG-CD2 4Å; L371-L395 PolarHBondContact O-N 2.79Å; L374-L395 HydrophobicContact CB-CD1 4.46Å; L374-L395 HydrophobicContact CB-CD2 3.91Å; L374-L395 HydrophobicContact CD2-CD1 4.47Å; F389-L395 HydrophobicContact CD1-CD1 3.75Å; F389-L395 HydrophobicContact CE1-CD1 4.42Å; I392-L395 HydrophobicContact CB-CD1 4.26Å; I392-L395 HydrophobicContact CB-CG 4.3Å; I392-L395 HydrophobicContact CD1-CD1 3.75Å; I392-L395 HydrophobicContact CG1-CD1 3.78Å; I392-L395 HydrophobicContact CG1-CG 4.36Å; I392-L395 WeakPolarHBondContact O-CG 3.31Å; L395-I398 HydrophobicContact CD1-CD1 3.93Å; L395-I398 HydrophobicContact CD1-CG1 3.83Å; L395-L418 HydrophobicContact CB-CD2 4.19Å; L395-L418 HydrophobicContact CD1-CD2 4.36Å; L395-M420 CarbonylContact O-C 3.44Å; L395-M420 VanDerWaalsContact O-C 3.25Å; L395-L421 HydrophobicContact CB-CD1 4.48Å; L395-L421 VanDerWaalsContact O-CA 3.24Å; L395-L421 WeakPolarHBondContact O-CA 3.28Å; L395-L421 PolarHBondContact O-N 3.26Å; L395-L421 VanDerWaalsContact O-N 3.11Å
396	E	97.9	Very high	95.5	Very high	55 Å²	55	37.8 Å²	37.8	26%	0.257	21%	0.208	S	C	.	.	S	Bend	trans	-98.5	-25.6	171.1	-58.8	-165	-123.3	0	0	111.4	K372 N394 M420 R422 R423	K372-E396 IonicContact NZ-OE1 2.71Å; K372-E396 PolarHBondContact NZ-OE1 3.39Å; K372-E396 VanDerWaalsContact NZ-OE1 3.17Å; K372-E396 PolarHBondContact O-N 3.23Å; N394-E396 PolarHBondContact O-N 2.93Å; E396-M420 HydrophobicContact CG-CB 4.21Å; E396-R422 PolarHBondContact O-N 3.4Å; E396-R422 IonicContact OE2-CZ 3.97Å; E396-R422 IonicContact OE2-NE 2.89Å; E396-R422 PolarHBondContact OE2-NE 2.97Å; E396-R422 IonicContact OE2-NH2 3.7Å; E396-R423 PolarHBondContact O-N 3.45Å; E396-R423 VanDerWaalsContact O-N 3.12Å
397	W	98.3	Very high	95.7	Very high	65 Å²	65	35.8 Å²	35.8	25%	0.246	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	137.1	176.9	172.4	49.5	0	0	0	113.4	K372 L374 N399 R423 Y425	K372-W397 PolarHBondContact O-N 2.64Å; K372-W397 VanDerWaalsContact O-N 3.11Å; L374-W397 PolarHBondContact N-O 3.46Å; L374-W397 VanDerWaalsContact N-O 3.1Å; W397-N399 HydrophobicContact CH2-CB 4.27Å; W397-N399 HydrophobicContact CZ2-CB 3.54Å; W397-R423 WeakPolarHBondContact CA-O 3.5Å; W397-R423 HydrophobicContact CB-CB 4.17Å; W397-R423 VanDerWaalsContact CD1-CB 3.46Å; W397-R423 HydrophobicContact CG-CB 4.13Å; W397-Y425 AromaticContact CE2-CE2 3.87Å; W397-Y425 HydrophobicContact CZ2-CD2 4.32Å; W397-Y425 HydrophobicContact CZ2-CE2 4.07Å; W397-Y425 AromaticContact NE1-CD2 3.39Å; W397-Y425 AromaticContact NE1-CE2 3.17Å; W397-Y425 AromaticContact NE1-CZ 3.66Å
398	I	98	Very high	96	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	129	169.9	-66.6	164.4	0	0	0	109.6	L374 F389 L395 L400 L418 L421 R423 L424 Y425	L374-I398 WeakPolarHBondContact O-CA 3.31Å; F389-I398 HydrophobicContact CD1-CD1 3.9Å; F389-I398 HydrophobicContact CE1-CD1 3.51Å; F389-I398 HydrophobicContact CE1-CG1 4.21Å; F389-I398 HydrophobicContact CE1-CG2 4.5Å; F389-I398 HydrophobicContact CZ-CD1 3.93Å; L395-I398 HydrophobicContact CD1-CD1 3.93Å; L395-I398 HydrophobicContact CD1-CG1 3.83Å; I398-L400 HydrophobicContact CG2-CD1 3.54Å; I398-L400 HydrophobicContact CG2-CG 3.71Å; I398-L418 HydrophobicContact CD1-CD1 3.65Å; I398-L421 HydrophobicContact CB-CD1 4.31Å; I398-L421 HydrophobicContact CD1-CD1 3.7Å; I398-L421 HydrophobicContact CD1-CD2 4.09Å; I398-L421 HydrophobicContact CG1-CD1 3.79Å; I398-R423 PolarHBondContact N-O 2.9Å; I398-L424 HydrophobicContact CB-CD1 3.87Å; I398-L424 HydrophobicContact CG2-CD1 3.8Å; I398-Y425 PolarHBondContact O-N 3.39Å
399	N	98.2	Very high	96.2	Very high	7 Å²	7	39.7 Å²	39.7	4%	0.037	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	116.3	167.4	-176.1	17.1	0	0	0	111	L374 S375 L376 E377 W397 K401 Y425	L374-N399 PolarHBondContact O-N 2.77Å; S375-N399 PolarHBondContact OG-ND2 2.9Å; L376-N399 PolarHBondContact N-O 3.07Å; E377-N399 PolarHBondContact OE2-ND2 3.36Å; W397-N399 HydrophobicContact CH2-CB 4.27Å; W397-N399 HydrophobicContact CZ2-CB 3.54Å; N399-K401 WeakPolarHBondContact OD1-CB 3.16Å; N399-K401 PolarHBondContact OD1-N 2.73Å; N399-K401 VanDerWaalsContact OD1-N 3.09Å; N399-Y425 HydrophobicContact CB-CD2 4.21Å
400	L	97.8	Very high	96.3	Very high	1 Å²	1	40 Å²	40	1%	0.005	22%	0.224	C	C	.	.			trans	-122.2	19.5	177.6	-75.1	159.2	0	0	0	111.4	L376 I384 I398 N403 L405 L424 Y425 L426 N429	L376-L400 HydrophobicContact CB-CD2 4.25Å; L376-L400 HydrophobicContact CD1-CD2 4.04Å; I384-L400 HydrophobicContact CD1-CD1 3.67Å; I398-L400 HydrophobicContact CG2-CD1 3.54Å; I398-L400 HydrophobicContact CG2-CG 3.71Å; L400-N403 WeakPolarHBondContact O-CB 3.25Å; L400-N403 PolarHBondContact O-ND2 2.87Å; L400-L405 HydrophobicContact CB-CD1 4Å; L400-L405 HydrophobicContact CD1-CD1 4.31Å; L400-L405 HydrophobicContact CD2-CD1 4.43Å; L400-L405 HydrophobicContact CG-CD1 4.49Å; L400-L424 HydrophobicContact CD1-CD1 4.44Å; L400-Y425 PolarHBondContact N-O 3.14Å; L400-L426 HydrophobicContact CB-CD2 4.03Å; L400-L426 HydrophobicContact CD1-CD2 4Å; L400-N429 PolarHBondContact O-ND2 3.1Å
401	K	97.6	Very high	96.4	Very high	50 Å²	50	36.8 Å²	36.8	22%	0.217	21%	0.206	C	C	.	.			trans	-58.4	154.7	-179.9	174.4	165.3	169.3	-120.1	0	112.7	E377 G378 N399 N403 D427 E428	E377-K401 VanDerWaalsContact CA-O 3.31Å; E377-K401 WeakPolarHBondContact CA-O 3.49Å; E377-K401 HydrophobicContact CG-CB 4.03Å; E377-K401 HydrophobicContact CG-CG 4.13Å; E377-K401 WeakPolarHBondContact OE1-CE 3.18Å; E377-K401 IonicContact OE1-NZ 2.61Å; E377-K401 PolarHBondContact OE1-NZ 3.21Å; E377-K401 IonicContact OE2-NZ 2.68Å; G378-K401 PolarHBondContact N-O 3.5Å; N399-K401 WeakPolarHBondContact OD1-CB 3.16Å; N399-K401 PolarHBondContact OD1-N 2.73Å; N399-K401 VanDerWaalsContact OD1-N 3.09Å; K401-N403 PolarHBondContact O-N 3.18Å; K401-N403 PolarHBondContact O-ND2 2.9Å; K401-D427 CarbonylContact C-O 3.56Å; K401-D427 VanDerWaalsContact CA-O 3.24Å; K401-D427 WeakPolarHBondContact CA-O 3.22Å; K401-D427 HydrophobicContact CB-CB 4.42Å; K401-D427 HydrophobicContact CD-CB 3.97Å; K401-D427 HydrophobicContact CG-CB 3.96Å; K401-E428 WeakPolarHBondContact CE-OE1 3.32Å; K401-E428 IonicContact NZ-OE1 2.85Å
402	K	97.6	Very high	96.4	Very high	88 Å²	88	39.7 Å²	39.7	38%	0.383	22%	0.223	S	C	.	.	S	Bend	trans	50.3	55.7	177.9	-70.7	171.5	-177.1	169.8	0	112.3	E377 G378 N379 D427 E428	E377-K402 HydrophobicContact CG-CB 4.28Å; E377-K402 HydrophobicContact CG-CD 4.35Å; E377-K402 IonicContact OE1-NZ 3.22Å; G378-K402 CarbonylContact C-O 3.56Å; G378-K402 VanDerWaalsContact CA-O 3.24Å; G378-K402 WeakPolarHBondContact CA-O 3.3Å; G378-K402 PolarHBondContact N-O 3.01Å; N379-K402 PolarHBondContact N-O 3.14Å; K402-D427 PolarHBondContact N-O 2.9Å; K402-E428 WeakPolarHBondContact CA-O 3.29Å; K402-E428 HydrophobicContact CB-CB 4.46Å; K402-E428 WeakPolarHBondContact CE-OE1 3.45Å; K402-E428 WeakPolarHBondContact CE-OE2 3.23Å; K402-E428 HydrophobicContact CG-CB 3.74Å; K402-E428 VanDerWaalsContact CG-CD 3.46Å; K402-E428 HydrophobicContact CG-CG 4.22Å; K402-E428 VanDerWaalsContact CG-OE2 3.27Å; K402-E428 WeakPolarHBondContact CG-OE2 3.37Å
403	N	98.1	Very high	96.2	Very high	10 Å²	10	45.2 Å²	45.2	5%	0.053	25%	0.247	C	C	.	.	S	Bend	trans	-125.1	-168.1	176.7	-90.3	-86.3	0	0	0	110	L376 N379 I381 L400 K401 L405 E428 N429	L376-N403 PolarHBondContact O-ND2 2.92Å; N379-N403 WeakPolarHBondContact CA-OD1 3.16Å; N379-N403 WeakPolarHBondContact CB-OD1 3.42Å; N379-N403 PolarHBondContact O-OD1 2.9Å; I381-N403 VanDerWaalsContact CB-OD1 3.27Å; I381-N403 WeakPolarHBondContact CB-OD1 3.36Å; I381-N403 WeakPolarHBondContact CG1-OD1 3.32Å; I381-N403 PolarHBondContact N-OD1 2.69Å; L400-N403 WeakPolarHBondContact O-CB 3.25Å; L400-N403 PolarHBondContact O-ND2 2.87Å; K401-N403 PolarHBondContact O-N 3.18Å; K401-N403 PolarHBondContact O-ND2 2.9Å; N403-L405 HydrophobicContact CB-CG 4.26Å; N403-E428 PolarHBondContact N-O 2.58Å; N403-N429 WeakPolarHBondContact CA-OD1 3.47Å; N403-N429 WeakPolarHBondContact CB-OD1 3.41Å; N403-N429 PolarHBondContact O-OD1 2.81Å
404	K	97.6	Very high	96.2	Very high	106 Å²	106	42.7 Å²	42.7	46%	0.461	23%	0.231	S	C	.	.			trans	-116.8	23.9	-178.4	-68.2	174.6	177.9	167.7	0	111.7	N380 I381 S382 T406 N429 L430	N380-K404 HydrophobicContact CB-CD 4.39Å; N380-K404 WeakPolarHBondContact OD1-CE 3.39Å; N380-K404 PolarHBondContact OD1-NZ 3.06Å; I381-K404 CarbonylContact O-C 3.53Å; I381-K404 WeakPolarHBondContact O-CA 3.34Å; I381-K404 PolarHBondContact O-N 2.88Å; S382-K404 WeakPolarHBondContact CA-O 3.48Å; K404-T406 PolarHBondContact O-N 3.39Å; K404-N429 PolarHBondContact N-OD1 3.35Å; K404-L430 HydrophobicContact CB-CD1 4.3Å
405	L	97.9	Very high	96.1	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.217	C	C	.	.			trans	-62.6	128.9	-177	-61.7	175	0	0	0	110.2	I381 I384 L400 N403 I410 L426 N429 L430 L431	I381-L405 HydrophobicContact CG2-CD2 3.96Å; I381-L405 WeakPolarHBondContact O-CD2 3.4Å; I381-L405 PolarHBondContact O-N 3.27Å; I381-L405 VanDerWaalsContact O-N 3.13Å; I384-L405 HydrophobicContact CD1-CD1 4Å; I384-L405 HydrophobicContact CD1-CD2 4.12Å; I384-L405 HydrophobicContact CG1-CD2 3.75Å; L400-L405 HydrophobicContact CB-CD1 4Å; L400-L405 HydrophobicContact CD1-CD1 4.31Å; L400-L405 HydrophobicContact CD2-CD1 4.43Å; L400-L405 HydrophobicContact CG-CD1 4.49Å; N403-L405 HydrophobicContact CB-CG 4.26Å; L405-I410 HydrophobicContact CB-CD1 4.5Å; L405-I410 HydrophobicContact CD1-CD1 4.48Å; L405-L426 HydrophobicContact CD1-CD2 3.84Å; L405-N429 HydrophobicContact CB-CB 4.37Å; L405-N429 WeakPolarHBondContact CB-OD1 3.33Å; L405-N429 WeakPolarHBondContact CG-OD1 3.49Å; L405-N429 PolarHBondContact N-OD1 2.82Å; L405-L430 CarbonylContact O-C 3.53Å; L405-L430 VanDerWaalsContact O-CA 3.23Å; L405-L430 WeakPolarHBondContact O-CA 3.26Å; L405-L430 WeakPolarHBondContact O-CB 3.38Å; L405-L430 PolarHBondContact O-N 2.99Å; L405-L431 HydrophobicContact CB-CD2 4.13Å; L405-L431 PolarHBondContact O-N 3.43Å
406	T	97	Very high	95.5	Very high	55 Å²	55	45.7 Å²	45.7	34%	0.337	24%	0.244	S	C	.	.	B	Isolated β-bridge	trans	-111.6	151.9	171.1	57.8	0	0	0	0	108.8	K404 A408 G409 I410 L430	K404-T406 PolarHBondContact O-N 3.39Å; T406-A408 PolarHBondContact O-N 2.95Å; T406-A408 VanDerWaalsContact O-N 3.16Å; T406-G409 WeakPolarHBondContact O-CA 3.06Å; T406-G409 PolarHBondContact O-N 3.41Å; T406-G409 PolarHBondContact OG1-N 3.49Å; T406-I410 PolarHBondContact O-N 2.69Å; T406-L430 HydrophobicContact CG2-CB 3.83Å; T406-L430 HydrophobicContact CG2-CD1 4.44Å
407	S	95.6	Very high	94.9	Very high	22 Å²	22	45.3 Å²	45.3	15%	0.154	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-22.5	-177.8	-54.4	0	0	0	0	112.9	L431 D432 V433	S407-L431 WeakPolarHBondContact OG-CA 3.33Å; S407-L431 WeakPolarHBondContact OG-CB 3.39Å; S407-D432 PolarHBondContact OG-N 2.85Å; S407-V433 PolarHBondContact OG-N 3.37Å; S407-V433 VanDerWaalsContact OG-N 3.15Å; S407-V433 PolarHBondContact OG-O 3.22Å
408	A	94.7	Very high	94.7	Very high	102 Å²	102	42.5 Å²	42.5	84%	0.843	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-12.3	170.5	0	0	0	0	0	114.2	T406	T406-A408 PolarHBondContact O-N 2.95Å; T406-A408 VanDerWaalsContact O-N 3.16Å
409	G	94.4	Very high	94.5	Very high	16 Å²	16	50.3 Å²	50.3	17%	0.165	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-18.1	174.7	0	0	0	0	0	113.7	S383 I384 T406	S383-G409 CarbonylContact C-O 3.46Å; S383-G409 WeakPolarHBondContact CA-O 3.44Å; S383-G409 WeakPolarHBondContact CB-O 3.38Å; I384-G409 PolarHBondContact N-O 2.81Å; T406-G409 WeakPolarHBondContact O-CA 3.06Å; T406-G409 PolarHBondContact O-N 3.41Å; T406-G409 PolarHBondContact OG1-N 3.49Å
410	I	96.8	Very high	94.4	Very high	13 Å²	13	54.5 Å²	54.5	7%	0.067	30%	0.299	C	S	.	.	B	Isolated β-bridge	trans	-86.8	119.9	171.5	-61.2	-179.4	0	0	0	107.8	I384 L405 T406 A414 F415 L431 P435	I384-I410 HydrophobicContact CD1-CD1 4.31Å; I384-I410 HydrophobicContact CD1-CG1 4.13Å; I384-I410 HydrophobicContact CG1-CG1 4.31Å; L405-I410 HydrophobicContact CB-CD1 4.5Å; L405-I410 HydrophobicContact CD1-CD1 4.48Å; T406-I410 PolarHBondContact O-N 2.69Å; I410-A414 HydrophobicContact CG2-CB 3.96Å; I410-F415 HydrophobicContact CG2-CE2 3.9Å; I410-L431 HydrophobicContact CD1-CD2 3.73Å; I410-P435 HydrophobicContact CD1-CG 4.21Å
411	D	95.6	Very high	94.4	Very high	56 Å²	56	54.5 Å²	54.5	30%	0.299	30%	0.299	S	S	.	.			trans	-62.6	138	172	-175.3	-84.3	0	0	0	110.1	I384 A386 K413 A414	I384-D411 PolarHBondContact O-N 3.32Å; A386-D411 HydrophobicContact CB-CB 4.22Å; D411-K413 PolarHBondContact O-N 2.9Å; D411-K413 WeakPolarHBondContact OD1-CA 3.27Å; D411-K413 PolarHBondContact OD1-N 2.77Å; D411-A414 HydrophobicContact CB-CB 4.32Å; D411-A414 WeakPolarHBondContact O-CB 3.41Å; D411-A414 PolarHBondContact O-N 3.32Å
412	P	89.9	Confident	94.5	Very high	75 Å²	75	57.2 Å²	57.2	49%	0.487	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-24.7	-179.8	-29.9	36.8	0	0	0	114.8	S436 D437	P412-S436 WeakPolarHBondContact CA-OG 3.46Å; P412-S436 PolarHBondContact O-OG 3.3Å; P412-D437 WeakPolarHBondContact O-CB 3.27Å
413	K	90.6	Very high	94.5	Very high	115 Å²	115	58.8 Å²	58.8	50%	0.5	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.8	15.8	178.8	-64.1	178.9	178.3	179.7	0	113.3	D411 F415 M416	D411-K413 PolarHBondContact O-N 2.9Å; D411-K413 WeakPolarHBondContact OD1-CA 3.27Å; D411-K413 PolarHBondContact OD1-N 2.77Å; K413-F415 VanDerWaalsContact C-N 3.32Å; K413-F415 PolarHBondContact O-N 3.1Å; K413-M416 HydrophobicContact CB-CB 3.9Å; K413-M416 HydrophobicContact CB-SD 4.2Å; K413-M416 HydrophobicContact CD-SD 3.81Å; K413-M416 HydrophobicContact CG-CB 4.44Å; K413-M416 HydrophobicContact CG-SD 3.93Å; K413-M416 VanDerWaalsContact O-CB 3.24Å; K413-M416 WeakPolarHBondContact O-CB 3.48Å; K413-M416 PolarHBondContact O-N 3.43Å
414	A	93.4	Very high	94.5	Very high	2 Å²	2	58.3 Å²	58.3	2%	0.017	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-49.8	178.7	0	0	0	0	0	112	I384 F389 I410 D411 M416	I384-A414 HydrophobicContact CB-CB 4.28Å; I384-A414 HydrophobicContact CG2-CB 3.82Å; F389-A414 WeakPolarHBondContact CD2-O 3.35Å; I410-A414 HydrophobicContact CG2-CB 3.96Å; D411-A414 HydrophobicContact CB-CB 4.32Å; D411-A414 WeakPolarHBondContact O-CB 3.41Å; D411-A414 PolarHBondContact O-N 3.32Å; A414-M416 VanDerWaalsContact C-N 3.34Å
415	F	93.1	Very high	94.6	Very high	4 Å²	4	55.3 Å²	55.3	2%	0.018	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	1	-179.6	-53	-74.1	0	0	0	114	I384 F389 I410 K413 G417 L418 L424 P435 L438	I384-F415 HydrophobicContact CD1-CE1 4.49Å; I384-F415 HydrophobicContact CD1-CZ 3.97Å; F389-F415 HydrophobicContact CD2-CD1 4.34Å; F389-F415 AromaticContact CE2-CD1 3.65Å; F389-F415 HydrophobicContact CE2-CD1 3.65Å; F389-F415 AromaticContact CE2-CE1 3.68Å; F389-F415 HydrophobicContact CE2-CE1 3.68Å; F389-F415 HydrophobicContact CZ-CD1 4.11Å; F389-F415 AromaticContact CZ-CE1 3.78Å; F389-F415 HydrophobicContact CZ-CE1 3.78Å; I410-F415 HydrophobicContact CG2-CE2 3.9Å; K413-F415 VanDerWaalsContact C-N 3.32Å; K413-F415 PolarHBondContact O-N 3.1Å; F415-G417 PolarHBondContact O-N 3.22Å; F415-G417 VanDerWaalsContact O-N 3.14Å; F415-L418 HydrophobicContact CB-CD1 4.42Å; F415-L418 HydrophobicContact CD1-CD1 4.16Å; F415-L418 PolarHBondContact O-N 2.8Å; F415-L424 HydrophobicContact CD1-CD2 4.4Å; F415-L424 HydrophobicContact CE1-CD1 3.92Å; F415-L424 HydrophobicContact CE1-CD2 4.08Å; F415-L424 HydrophobicContact CE2-CD2 4.4Å; F415-L424 HydrophobicContact CZ-CD1 4.29Å; F415-L424 HydrophobicContact CZ-CD2 4.08Å; F415-P435 HydrophobicContact CE2-CB 4.34Å; F415-L438 HydrophobicContact CD2-CD2 3.72Å; F415-L438 HydrophobicContact CE2-CD2 4.15Å; F415-L438 HydrophobicContact CG-CD2 4.21Å
416	M	84.8	Confident	94.6	Very high	117 Å²	117	55.3 Å²	55.3	58%	0.576	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	111.5	-174.7	-171.5	-173.1	-175.7	0	0	110.9	K413 A414	K413-M416 HydrophobicContact CB-CB 3.9Å; K413-M416 HydrophobicContact CB-SD 4.2Å; K413-M416 HydrophobicContact CD-SD 3.81Å; K413-M416 HydrophobicContact CG-CB 4.44Å; K413-M416 HydrophobicContact CG-SD 3.93Å; K413-M416 VanDerWaalsContact O-CB 3.24Å; K413-M416 WeakPolarHBondContact O-CB 3.48Å; K413-M416 PolarHBondContact O-N 3.43Å; A414-M416 VanDerWaalsContact C-N 3.34Å
417	G	85.1	Confident	94.7	Very high	47 Å²	47	53.1 Å²	53.1	49%	0.485	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	118.5	-11.1	178.3	0	0	0	0	0	114.7	F415 K419	F415-G417 PolarHBondContact O-N 3.22Å; F415-G417 VanDerWaalsContact O-N 3.14Å; G417-K419 WeakPolarHBondContact O-CG 3.33Å; G417-K419 PolarHBondContact O-N 2.86Å
418	L	94.9	Very high	94.8	Very high	6 Å²	6	55.9 Å²	55.9	3%	0.031	29%	0.292	C	S	.	.			trans	-72.5	72	175.7	-71.8	178.8	0	0	0	112.4	F389 L395 I398 F415 M420 L421 P439	F389-L418 HydrophobicContact CB-CD1 4.1Å; F389-L418 HydrophobicContact CB-CD2 3.82Å; F389-L418 HydrophobicContact CB-CG 4.13Å; F389-L418 HydrophobicContact CD1-CD1 4.33Å; F389-L418 HydrophobicContact CD2-CD1 4.01Å; F389-L418 HydrophobicContact CG-CD1 3.9Å; F389-L418 HydrophobicContact CG-CD2 4.45Å; F389-L418 HydrophobicContact CG-CG 4.47Å; L395-L418 HydrophobicContact CB-CD2 4.19Å; L395-L418 HydrophobicContact CD1-CD2 4.36Å; I398-L418 HydrophobicContact CD1-CD1 3.65Å; F415-L418 HydrophobicContact CB-CD1 4.42Å; F415-L418 HydrophobicContact CD1-CD1 4.16Å; F415-L418 PolarHBondContact O-N 2.8Å; L418-M420 PolarHBondContact O-N 2.99Å; L418-M420 VanDerWaalsContact O-N 3.16Å; L418-L421 HydrophobicContact CB-CB 4.06Å; L418-L421 HydrophobicContact CD1-CD2 4.1Å; L418-L421 PolarHBondContact O-N 2.95Å; L418-P439 WeakPolarHBondContact O-CB 3.31Å
419	K	94.1	Very high	95	Very high	164 Å²	164	51.3 Å²	51.3	71%	0.713	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-5.9	-173.6	-68.7	167	-171.1	169.7	0	115.4	G417 T441	G417-K419 WeakPolarHBondContact O-CG 3.33Å; G417-K419 PolarHBondContact O-N 2.86Å; K419-T441 WeakPolarHBondContact O-CG2 3.28Å
420	M	96.6	Very high	95.1	Very high	96 Å²	96	53.8 Å²	53.8	47%	0.473	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.7	-4.9	179.2	-60.4	-58.3	-177.3	0	0	113.1	L395 E396 L418 R422	L395-M420 CarbonylContact O-C 3.44Å; L395-M420 VanDerWaalsContact O-C 3.25Å; E396-M420 HydrophobicContact CG-CB 4.21Å; L418-M420 PolarHBondContact O-N 2.99Å; L418-M420 VanDerWaalsContact O-N 3.16Å; M420-R422 PolarHBondContact O-N 2.83Å
421	L	97.9	Very high	95.2	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	26%	0.259	C	S	.	.			trans	-66.2	124	-172.9	-168.8	71.3	0	0	0	110.8	L395 I398 L418 R423 L424 P439 T441 L442	L395-L421 HydrophobicContact CB-CD1 4.48Å; L395-L421 VanDerWaalsContact O-CA 3.24Å; L395-L421 WeakPolarHBondContact O-CA 3.28Å; L395-L421 PolarHBondContact O-N 3.26Å; L395-L421 VanDerWaalsContact O-N 3.11Å; I398-L421 HydrophobicContact CB-CD1 4.31Å; I398-L421 HydrophobicContact CD1-CD1 3.7Å; I398-L421 HydrophobicContact CD1-CD2 4.09Å; I398-L421 HydrophobicContact CG1-CD1 3.79Å; L418-L421 HydrophobicContact CB-CB 4.06Å; L418-L421 HydrophobicContact CD1-CD2 4.1Å; L418-L421 PolarHBondContact O-N 2.95Å; L421-R423 WeakPolarHBondContact CD1-O 3.5Å; L421-L424 HydrophobicContact CD2-CB 4.32Å; L421-P439 HydrophobicContact CB-CG 3.96Å; L421-P439 HydrophobicContact CD2-CG 3.79Å; L421-P439 HydrophobicContact CG-CG 4.41Å; L421-T441 CarbonylContact O-C 3.47Å; L421-T441 WeakPolarHBondContact O-CB 3.35Å; L421-T441 PolarHBondContact O-OG1 2.82Å; L421-L442 HydrophobicContact CD2-CD1 4.03Å; L421-L442 HydrophobicContact CG-CD1 4Å; L421-L442 WeakPolarHBondContact O-CA 3.09Å; L421-L442 PolarHBondContact O-N 2.83Å
422	R	98.3	Very high	95.3	Very high	108 Å²	108	53 Å²	53	41%	0.408	26%	0.258	S	S	.	.			trans	-109.1	-33.6	177.7	-58.1	177.7	-174.9	-76.7	-8.6	112.2	E396 M420 Q443 E444	E396-R422 PolarHBondContact O-N 3.4Å; E396-R422 IonicContact OE2-CZ 3.97Å; E396-R422 IonicContact OE2-NE 2.89Å; E396-R422 PolarHBondContact OE2-NE 2.97Å; E396-R422 IonicContact OE2-NH2 3.7Å; M420-R422 PolarHBondContact O-N 2.83Å; R422-Q443 HydrophobicContact CB-CG 4.15Å; R422-Q443 HydrophobicContact CG-CG 4.43Å; R422-Q443 WeakPolarHBondContact O-CA 3.22Å; R422-Q443 PolarHBondContact O-N 2.87Å; R422-E444 PolarHBondContact O-N 2.88Å
423	R	98.7	Very high	95.6	Very high	121 Å²	121	53 Å²	53	46%	0.457	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	129.7	-173.1	-60.5	-166.1	172.7	119.9	1.7	111.8	E396 W397 I398 L421 Y425 E444	E396-R423 PolarHBondContact O-N 3.45Å; E396-R423 VanDerWaalsContact O-N 3.12Å; W397-R423 WeakPolarHBondContact CA-O 3.5Å; W397-R423 HydrophobicContact CB-CB 4.17Å; W397-R423 VanDerWaalsContact CD1-CB 3.46Å; W397-R423 HydrophobicContact CG-CB 4.13Å; I398-R423 PolarHBondContact N-O 2.9Å; L421-R423 WeakPolarHBondContact CD1-O 3.5Å; R423-Y425 HydrophobicContact CB-CE1 4.29Å; R423-E444 WeakPolarHBondContact CA-O 3.19Å; R423-E444 VanDerWaalsContact CD-OE2 3.23Å; R423-E444 WeakPolarHBondContact CD-OE2 3.43Å; R423-E444 HydrophobicContact CG-CB 4.06Å; R423-E444 IonicContact CZ-OE2 2.61Å; R423-E444 IonicContact NE-OE2 3.83Å; R423-E444 PolarHBondContact NE-OE2 2.68Å
424	L	98.5	Very high	95.9	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	116.4	175.6	178.8	59.5	0	0	0	110	I398 L400 F415 L421 L426 L438 L442 E444 L445 K446	I398-L424 HydrophobicContact CB-CD1 3.87Å; I398-L424 HydrophobicContact CG2-CD1 3.8Å; L400-L424 HydrophobicContact CD1-CD1 4.44Å; F415-L424 HydrophobicContact CD1-CD2 4.4Å; F415-L424 HydrophobicContact CE1-CD1 3.92Å; F415-L424 HydrophobicContact CE1-CD2 4.08Å; F415-L424 HydrophobicContact CE2-CD2 4.4Å; F415-L424 HydrophobicContact CZ-CD1 4.29Å; F415-L424 HydrophobicContact CZ-CD2 4.08Å; L421-L424 HydrophobicContact CD2-CB 4.32Å; L424-L426 HydrophobicContact CD1-CD2 4.46Å; L424-L426 HydrophobicContact CD1-CG 4.27Å; L424-L426 HydrophobicContact CD2-CD1 4Å; L424-L426 HydrophobicContact CG-CD1 4.08Å; L424-L426 HydrophobicContact CG-CG 4.1Å; L424-L438 HydrophobicContact CD2-CD2 3.58Å; L424-L442 HydrophobicContact CB-CD1 3.78Å; L424-L442 HydrophobicContact CB-CD2 4.39Å; L424-E444 PolarHBondContact N-O 3.09Å; L424-L445 HydrophobicContact CB-CD1 4.26Å; L424-L445 HydrophobicContact CD2-CD1 4.24Å; L424-L445 HydrophobicContact CG-CD1 4.3Å; L424-K446 PolarHBondContact O-N 3.18Å; L424-K446 VanDerWaalsContact O-N 3.07Å
425	Y	98.6	Very high	95.9	Very high	42 Å²	42	48.6 Å²	48.6	17%	0.165	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	122.3	177.2	-52.6	-20.7	0	0	0	110	W397 I398 N399 L400 R423 E444 K446	W397-Y425 AromaticContact CE2-CE2 3.87Å; W397-Y425 HydrophobicContact CZ2-CD2 4.32Å; W397-Y425 HydrophobicContact CZ2-CE2 4.07Å; W397-Y425 AromaticContact NE1-CD2 3.39Å; W397-Y425 AromaticContact NE1-CE2 3.17Å; W397-Y425 AromaticContact NE1-CZ 3.66Å; I398-Y425 PolarHBondContact O-N 3.39Å; N399-Y425 HydrophobicContact CB-CD2 4.21Å; L400-Y425 PolarHBondContact N-O 3.14Å; R423-Y425 HydrophobicContact CB-CE1 4.29Å; Y425-E444 HydrophobicContact CE1-CG 4.09Å; Y425-E444 PolarHBondContact OH-OE1 2.86Å; Y425-K446 HydrophobicContact CD1-CB 4.02Å; Y425-K446 HydrophobicContact CD1-CD 3.6Å; Y425-K446 HydrophobicContact CD1-CG 3.77Å; Y425-K446 HydrophobicContact CE1-CD 3.66Å; Y425-K446 HydrophobicContact CE1-CG 4.04Å; Y425-K446 HydrophobicContact CG-CD 4.23Å
426	L	98.4	Very high	95.8	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.258	C	S	.	.			trans	-126.5	19.7	-178.1	-68.6	166.6	0	0	0	111.2	L400 L405 L424 N429 L431 P435 K446 I447 N450	L400-L426 HydrophobicContact CB-CD2 4.03Å; L400-L426 HydrophobicContact CD1-CD2 4Å; L405-L426 HydrophobicContact CD1-CD2 3.84Å; L424-L426 HydrophobicContact CD1-CD2 4.46Å; L424-L426 HydrophobicContact CD1-CG 4.27Å; L424-L426 HydrophobicContact CD2-CD1 4Å; L424-L426 HydrophobicContact CG-CD1 4.08Å; L424-L426 HydrophobicContact CG-CG 4.1Å; L426-N429 WeakPolarHBondContact O-CB 3.42Å; L426-N429 PolarHBondContact O-ND2 2.79Å; L426-L431 HydrophobicContact CB-CD1 4.07Å; L426-L431 HydrophobicContact CD1-CD1 4.11Å; L426-P435 HydrophobicContact CD1-CG 3.95Å; L426-K446 PolarHBondContact N-O 3.49Å; L426-I447 HydrophobicContact CB-CG1 4.49Å; L426-I447 HydrophobicContact CB-CG2 4.24Å; L426-N450 PolarHBondContact O-ND2 2.99Å
427	D	98.4	Very high	96	Very high	9 Å²	9	50.3 Å²	50.3	5%	0.048	26%	0.255	C	S	.	.			trans	-63.9	155.6	-174.9	-49.6	-80.9	0	0	0	112.9	K401 K402 N429 K446 I447 N448	K401-D427 CarbonylContact C-O 3.56Å; K401-D427 VanDerWaalsContact CA-O 3.24Å; K401-D427 WeakPolarHBondContact CA-O 3.22Å; K401-D427 HydrophobicContact CB-CB 4.42Å; K401-D427 HydrophobicContact CD-CB 3.97Å; K401-D427 HydrophobicContact CG-CB 3.96Å; K402-D427 PolarHBondContact N-O 2.9Å; D427-N429 PolarHBondContact O-N 3.47Å; D427-N429 PolarHBondContact O-ND2 3.32Å; D427-K446 VanDerWaalsContact OD1-CB 3.31Å; D427-K446 WeakPolarHBondContact OD1-CB 3.47Å; D427-K446 VanDerWaalsContact OD2-CB 3.28Å; D427-K446 WeakPolarHBondContact OD2-CB 3.22Å; D427-I447 PolarHBondContact OD1-N 2.94Å; D427-N448 CarbonylContact C-O 3.27Å; D427-N448 VanDerWaalsContact CA-O 3.28Å; D427-N448 WeakPolarHBondContact CA-O 3.35Å; D427-N448 HydrophobicContact CB-CB 4.46Å; D427-N448 VanDerWaalsContact OD1-CB 3.23Å; D427-N448 WeakPolarHBondContact OD1-CB 3.41Å; D427-N448 PolarHBondContact OD1-N 3.16Å; D427-N448 PolarHBondContact OD1-ND2 3.09Å
428	E	98.2	Very high	96.5	Very high	81 Å²	81	48.8 Å²	48.8	38%	0.379	24%	0.236	S	C	.	.	S	Bend	trans	53.3	51.2	176.8	-62.4	174.9	-107.7	0	0	112.1	K401 K402 N403 N448 E449	K401-E428 WeakPolarHBondContact CE-OE1 3.32Å; K401-E428 IonicContact NZ-OE1 2.85Å; K402-E428 WeakPolarHBondContact CA-O 3.29Å; K402-E428 HydrophobicContact CB-CB 4.46Å; K402-E428 WeakPolarHBondContact CE-OE1 3.45Å; K402-E428 WeakPolarHBondContact CE-OE2 3.23Å; K402-E428 HydrophobicContact CG-CB 3.74Å; K402-E428 VanDerWaalsContact CG-CD 3.46Å; K402-E428 HydrophobicContact CG-CG 4.22Å; K402-E428 VanDerWaalsContact CG-OE2 3.27Å; K402-E428 WeakPolarHBondContact CG-OE2 3.37Å; N403-E428 PolarHBondContact N-O 2.58Å; E428-N448 PolarHBondContact N-O 3.22Å; E428-E449 WeakPolarHBondContact CA-O 3.5Å; E428-E449 HydrophobicContact CB-CB 4.47Å; E428-E449 HydrophobicContact CG-CB 3.8Å; E428-E449 HydrophobicContact CG-CG 4.15Å
429	N	98.4	Very high	96.4	Very high	6 Å²	6	49.3 Å²	49.3	3%	0.032	24%	0.24	C	C	.	.	S	Bend	trans	-126.2	-166	179.3	-87.9	-85.4	0	0	0	111	L400 N403 K404 L405 L426 D427 L431 N450	L400-N429 PolarHBondContact O-ND2 3.1Å; N403-N429 WeakPolarHBondContact CA-OD1 3.47Å; N403-N429 WeakPolarHBondContact CB-OD1 3.41Å; N403-N429 PolarHBondContact O-OD1 2.81Å; K404-N429 PolarHBondContact N-OD1 3.35Å; L405-N429 HydrophobicContact CB-CB 4.37Å; L405-N429 WeakPolarHBondContact CB-OD1 3.33Å; L405-N429 WeakPolarHBondContact CG-OD1 3.49Å; L405-N429 PolarHBondContact N-OD1 2.82Å; L426-N429 WeakPolarHBondContact O-CB 3.42Å; L426-N429 PolarHBondContact O-ND2 2.79Å; D427-N429 PolarHBondContact O-N 3.47Å; D427-N429 PolarHBondContact O-ND2 3.32Å; N429-L431 HydrophobicContact CB-CG 4.44Å; N429-N450 VanDerWaalsContact CB-OD1 3.29Å; N429-N450 WeakPolarHBondContact CB-OD1 3.32Å; N429-N450 PolarHBondContact N-ND2 3.02Å; N429-N450 PolarHBondContact O-OD1 2.99Å
430	L	98	Very high	96.5	Very high	68 Å²	68	44.5 Å²	44.5	36%	0.356	23%	0.227	S	C	.	.	B	Isolated β-bridge	trans	-120.1	27.9	-173.7	-56.8	173.4	0	0	0	112.4	K404 L405 T406 N450 K451	K404-L430 HydrophobicContact CB-CD1 4.3Å; L405-L430 CarbonylContact O-C 3.53Å; L405-L430 VanDerWaalsContact O-CA 3.23Å; L405-L430 WeakPolarHBondContact O-CA 3.26Å; L405-L430 WeakPolarHBondContact O-CB 3.38Å; L405-L430 PolarHBondContact O-N 2.99Å; T406-L430 HydrophobicContact CG2-CB 3.83Å; T406-L430 HydrophobicContact CG2-CD1 4.44Å; L430-N450 PolarHBondContact N-OD1 2.88Å; L430-K451 HydrophobicContact CD2-CD 4.36Å; L430-K451 VanDerWaalsContact CD2-NZ 3.29Å
431	L	98.3	Very high	96.5	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.219	C	C	.	.			trans	-73	132.2	179.9	-54.5	179.7	0	0	0	111	L405 S407 I410 L426 N429 P435 I447 N450 K451 L452	L405-L431 HydrophobicContact CB-CD2 4.13Å; L405-L431 PolarHBondContact O-N 3.43Å; S407-L431 WeakPolarHBondContact OG-CA 3.33Å; S407-L431 WeakPolarHBondContact OG-CB 3.39Å; I410-L431 HydrophobicContact CD1-CD2 3.73Å; L426-L431 HydrophobicContact CB-CD1 4.07Å; L426-L431 HydrophobicContact CD1-CD1 4.11Å; N429-L431 HydrophobicContact CB-CG 4.44Å; L431-P435 HydrophobicContact CD1-CG 4.38Å; L431-I447 HydrophobicContact CD1-CG2 3.85Å; L431-N450 VanDerWaalsContact CB-OD1 3.26Å; L431-N450 WeakPolarHBondContact CB-OD1 3.46Å; L431-N450 WeakPolarHBondContact CG-OD1 3.46Å; L431-N450 PolarHBondContact N-OD1 3.37Å; L431-K451 CarbonylContact O-C 3.49Å; L431-K451 VanDerWaalsContact O-CA 3.27Å; L431-K451 WeakPolarHBondContact O-CA 3.44Å; L431-K451 PolarHBondContact O-N 3.09Å; L431-L452 HydrophobicContact CB-CD2 4.28Å; L431-L452 PolarHBondContact O-N 3.38Å
432	D	97.1	Very high	96.5	Very high	53 Å²	53	42.4 Å²	42.4	28%	0.283	22%	0.219	S	C	.	.	S	Bend	trans	-110.8	-10.4	176.1	71	-26.4	0	0	0	114.3	S407 L452 R453	S407-D432 PolarHBondContact OG-N 2.85Å; D432-L452 WeakPolarHBondContact O-CA 3.29Å; D432-R453 HydrophobicContact CB-CG 4.41Å; D432-R453 PolarHBondContact O-N 3.41Å; D432-R453 IonicContact OD2-CZ 3.88Å; D432-R453 IonicContact OD2-NH1 3.87Å; D432-R453 PolarHBondContact OD2-NH1 2.85Å
433	V	96.6	Very high	96.5	Very high	75 Å²	75	40.4 Å²	40.4	46%	0.455	22%	0.215	S	C	.	.	S	Bend	trans	-136.3	153.9	163	-63.1	0	0	0	0	111.4	S407	S407-V433 PolarHBondContact OG-N 3.37Å; S407-V433 VanDerWaalsContact OG-N 3.15Å; S407-V433 PolarHBondContact OG-O 3.22Å
434	V	96.4	Very high	96.5	Very high	12 Å²	12	35.9 Å²	35.9	7%	0.073	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-61.5	136.1	172.9	-179.9	0	0	0	0	109.5	L438 I447 L452 F460	V434-L438 HydrophobicContact CG1-CD1 4.41Å; V434-I447 HydrophobicContact CG1-CD1 4.21Å; V434-I447 HydrophobicContact CG2-CD1 4.49Å; V434-L452 HydrophobicContact CG2-CD1 4.25Å; V434-L452 HydrophobicContact CG2-CD2 4.32Å; V434-F460 HydrophobicContact CG1-CD1 4.25Å; V434-F460 HydrophobicContact CG1-CE1 3.78Å; V434-F460 HydrophobicContact CG2-CE1 4.08Å; V434-F460 HydrophobicContact CG2-CZ 4.15Å
435	P	94.3	Very high	96.5	Very high	12 Å²	12	35.9 Å²	35.9	8%	0.078	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-59.2	141.1	176.8	-24.3	34.5	0	0	0	113.2	I410 F415 L426 L431 L438	I410-P435 HydrophobicContact CD1-CG 4.21Å; F415-P435 HydrophobicContact CE2-CB 4.34Å; L426-P435 HydrophobicContact CD1-CG 3.95Å; L431-P435 HydrophobicContact CD1-CG 4.38Å; P435-L438 HydrophobicContact CB-CD2 4.21Å; P435-L438 HydrophobicContact CB-CG 4.34Å
436	S	90.4	Very high	96.5	Very high	57 Å²	57	35.8 Å²	35.8	40%	0.399	20%	0.199	S	C	.	.	S	Bend	trans	-76.3	166.8	173.7	57	0	0	0	0	112.7	P412 L438	P412-S436 WeakPolarHBondContact CA-OG 3.46Å; P412-S436 PolarHBondContact O-OG 3.3Å; S436-L438 PolarHBondContact O-N 2.92Å
437	D	89.1	Confident	96.5	Very high	99 Å²	99	35.8 Å²	35.8	53%	0.529	20%	0.199	S	C	.	.	S	Bend	trans	49.7	32.7	170.3	-55.5	-8.6	0	0	0	115	P412	P412-D437 WeakPolarHBondContact O-CB 3.27Å
438	L	94.5	Very high	96.5	Very high	16 Å²	16	36.2 Å²	36.2	8%	0.084	20%	0.202	C	C	.	.			trans	-62	142	173.4	-71.2	175.7	0	0	0	111.1	F415 L424 V434 P435 S436 S440 L445 L463	F415-L438 HydrophobicContact CD2-CD2 3.72Å; F415-L438 HydrophobicContact CE2-CD2 4.15Å; F415-L438 HydrophobicContact CG-CD2 4.21Å; L424-L438 HydrophobicContact CD2-CD2 3.58Å; V434-L438 HydrophobicContact CG1-CD1 4.41Å; P435-L438 HydrophobicContact CB-CD2 4.21Å; P435-L438 HydrophobicContact CB-CG 4.34Å; S436-L438 PolarHBondContact O-N 2.92Å; L438-S440 PolarHBondContact O-N 2.84Å; L438-L445 HydrophobicContact CD1-CD1 4.47Å; L438-L445 HydrophobicContact CD1-CD2 3.86Å; L438-L463 HydrophobicContact CB-CD1 4.38Å; L438-L463 HydrophobicContact CB-CD2 3.95Å; L438-L463 HydrophobicContact CD1-CD1 4.3Å
439	P	94.2	Very high	96.5	Very high	16 Å²	16	35.6 Å²	35.6	10%	0.104	20%	0.199	C	C	.	.			trans	-69.2	132.9	-172.8	26.1	-33.4	0	0	0	112.2	L418 L421 T441 L442 L463	L418-P439 WeakPolarHBondContact O-CB 3.31Å; L421-P439 HydrophobicContact CB-CG 3.96Å; L421-P439 HydrophobicContact CD2-CG 3.79Å; L421-P439 HydrophobicContact CG-CG 4.41Å; P439-T441 PolarHBondContact O-N 2.6Å; P439-L442 WeakPolarHBondContact O-CB 3.46Å; P439-L442 PolarHBondContact O-N 3.44Å; P439-L463 WeakPolarHBondContact O-CD2 3.28Å
440	S	95.3	Very high	96.5	Very high	64 Å²	64	35.8 Å²	35.8	45%	0.448	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-5.4	-178.4	54.9	0	0	0	0	115.5	L438 L442 D462 S465	L438-S440 PolarHBondContact O-N 2.84Å; S440-L442 VanDerWaalsContact C-N 3.34Å; S440-D462 WeakPolarHBondContact CB-O 3.26Å; S440-S465 VanDerWaalsContact O-CB 3.23Å; S440-S465 WeakPolarHBondContact O-CB 3.47Å; S440-S465 PolarHBondContact O-OG 3.22Å
441	T	96.9	Very high	96.5	Very high	51 Å²	51	37.6 Å²	37.6	31%	0.313	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-9.7	169.2	51.7	0	0	0	0	114	K419 L421 P439 Q443	K419-T441 WeakPolarHBondContact O-CG2 3.28Å; L421-T441 CarbonylContact O-C 3.47Å; L421-T441 WeakPolarHBondContact O-CB 3.35Å; L421-T441 PolarHBondContact O-OG1 2.82Å; P439-T441 PolarHBondContact O-N 2.6Å; T441-Q443 VanDerWaalsContact O-CG 3.24Å; T441-Q443 WeakPolarHBondContact O-CG 2.94Å; T441-Q443 PolarHBondContact O-N 2.97Å
442	L	97.9	Very high	96.5	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.205	C	C	.	.			trans	-62.1	130.9	-177.8	-163	73	0	0	0	111	L421 L424 P439 S440 L445 L463 S465 L466	L421-L442 HydrophobicContact CD2-CD1 4.03Å; L421-L442 HydrophobicContact CG-CD1 4Å; L421-L442 WeakPolarHBondContact O-CA 3.09Å; L421-L442 PolarHBondContact O-N 2.83Å; L424-L442 HydrophobicContact CB-CD1 3.78Å; L424-L442 HydrophobicContact CB-CD2 4.39Å; P439-L442 WeakPolarHBondContact O-CB 3.46Å; P439-L442 PolarHBondContact O-N 3.44Å; S440-L442 VanDerWaalsContact C-N 3.34Å; L442-L445 HydrophobicContact CD2-CB 3.85Å; L442-L445 HydrophobicContact CD2-CD1 4.1Å; L442-L445 HydrophobicContact CD2-CD2 4.22Å; L442-L445 HydrophobicContact CD2-CG 4.28Å; L442-L463 HydrophobicContact CB-CD2 4.43Å; L442-S465 CarbonylContact O-C 3.45Å; L442-S465 VanDerWaalsContact O-C 3.25Å; L442-L466 HydrophobicContact CB-CD1 4.4Å; L442-L466 HydrophobicContact CD2-CD1 4.17Å; L442-L466 HydrophobicContact CG-CD1 4.07Å; L442-L466 WeakPolarHBondContact O-CA 3.4Å; L442-L466 PolarHBondContact O-N 2.82Å
443	Q	98.5	Very high	96.4	Very high	67 Å²	67	42.5 Å²	42.5	31%	0.313	22%	0.219	S	C	.	.			trans	-113.5	-24.5	-175.8	-47.9	-161.9	-92.8	0	0	111.9	R422 T441 V467 I468	R422-Q443 HydrophobicContact CB-CG 4.15Å; R422-Q443 HydrophobicContact CG-CG 4.43Å; R422-Q443 WeakPolarHBondContact O-CA 3.22Å; R422-Q443 PolarHBondContact O-N 2.87Å; T441-Q443 VanDerWaalsContact O-CG 3.24Å; T441-Q443 WeakPolarHBondContact O-CG 2.94Å; T441-Q443 PolarHBondContact O-N 2.97Å; Q443-V467 PolarHBondContact O-N 3.06Å; Q443-I468 PolarHBondContact O-N 2.9Å
444	E	98.8	Very high	96.4	Very high	25 Å²	25	39.8 Å²	39.8	12%	0.117	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	121.1	-176.8	-176.5	174.6	178.7	0	0	109.8	R422 R423 L424 Y425 K446 I468	R422-E444 PolarHBondContact O-N 2.88Å; R423-E444 WeakPolarHBondContact CA-O 3.19Å; R423-E444 VanDerWaalsContact CD-OE2 3.23Å; R423-E444 WeakPolarHBondContact CD-OE2 3.43Å; R423-E444 HydrophobicContact CG-CB 4.06Å; R423-E444 IonicContact CZ-OE2 2.61Å; R423-E444 IonicContact NE-OE2 3.83Å; R423-E444 PolarHBondContact NE-OE2 2.68Å; L424-E444 PolarHBondContact N-O 3.09Å; Y425-E444 HydrophobicContact CE1-CG 4.09Å; Y425-E444 PolarHBondContact OH-OE1 2.86Å; E444-K446 WeakPolarHBondContact OE1-CE 3.25Å; E444-K446 IonicContact OE1-NZ 3.79Å; E444-I468 WeakPolarHBondContact CA-O 3.49Å; E444-I468 HydrophobicContact CB-CB 4.31Å; E444-I468 HydrophobicContact CG-CB 4.02Å; E444-I468 HydrophobicContact CG-CD1 4.28Å; E444-I468 HydrophobicContact CG-CG2 4.05Å
445	L	98.7	Very high	96.5	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	119.5	-179.9	177.8	56.7	0	0	0	109.6	L424 L438 L442 I447 F460 L463 L466 I468 L469 E470	L424-L445 HydrophobicContact CB-CD1 4.26Å; L424-L445 HydrophobicContact CD2-CD1 4.24Å; L424-L445 HydrophobicContact CG-CD1 4.3Å; L438-L445 HydrophobicContact CD1-CD1 4.47Å; L438-L445 HydrophobicContact CD1-CD2 3.86Å; L442-L445 HydrophobicContact CD2-CB 3.85Å; L442-L445 HydrophobicContact CD2-CD1 4.1Å; L442-L445 HydrophobicContact CD2-CD2 4.22Å; L442-L445 HydrophobicContact CD2-CG 4.28Å; L445-I447 HydrophobicContact CD1-CD1 4.04Å; L445-I447 HydrophobicContact CD1-CG1 3.9Å; L445-I447 HydrophobicContact CD2-CD1 4.2Å; L445-I447 HydrophobicContact CG-CD1 4.11Å; L445-I447 HydrophobicContact CG-CG1 4.04Å; L445-F460 HydrophobicContact CD2-CE1 4.31Å; L445-L463 HydrophobicContact CD2-CD1 4.39Å; L445-L466 HydrophobicContact CB-CD1 3.84Å; L445-L466 HydrophobicContact CB-CD2 4.41Å; L445-I468 PolarHBondContact N-O 2.81Å; L445-L469 HydrophobicContact CB-CD1 4.14Å; L445-L469 HydrophobicContact CD2-CD1 4.05Å; L445-L469 HydrophobicContact CG-CD1 4.1Å; L445-L469 WeakPolarHBondContact O-CA 3.47Å; L445-E470 PolarHBondContact O-N 3.31Å
446	K	98.7	Very high	96.5	Very high	41 Å²	41	44.1 Å²	44.1	18%	0.178	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	122.8	178.5	-56.4	-175.1	177.3	-107.8	0	110.2	L424 Y425 L426 D427 E444 E470	L424-K446 PolarHBondContact O-N 3.18Å; L424-K446 VanDerWaalsContact O-N 3.07Å; Y425-K446 HydrophobicContact CD1-CB 4.02Å; Y425-K446 HydrophobicContact CD1-CD 3.6Å; Y425-K446 HydrophobicContact CD1-CG 3.77Å; Y425-K446 HydrophobicContact CE1-CD 3.66Å; Y425-K446 HydrophobicContact CE1-CG 4.04Å; Y425-K446 HydrophobicContact CG-CD 4.23Å; L426-K446 PolarHBondContact N-O 3.49Å; D427-K446 VanDerWaalsContact OD1-CB 3.31Å; D427-K446 WeakPolarHBondContact OD1-CB 3.47Å; D427-K446 VanDerWaalsContact OD2-CB 3.28Å; D427-K446 WeakPolarHBondContact OD2-CB 3.22Å; E444-K446 WeakPolarHBondContact OE1-CE 3.25Å; E444-K446 IonicContact OE1-NZ 3.79Å; K446-E470 HydrophobicContact CB-CB 4.42Å; K446-E470 WeakPolarHBondContact CD-OE2 3.23Å; K446-E470 HydrophobicContact CG-CB 4.26Å; K446-E470 HydrophobicContact CG-CG 4.28Å; K446-E470 WeakPolarHBondContact CG-OE2 3.38Å; K446-E470 IonicContact NZ-OE1 2.66Å; K446-E470 PolarHBondContact NZ-OE1 3.24Å; K446-E470 IonicContact NZ-OE2 2.83Å; K446-E470 PolarHBondContact NZ-OE2 2.7Å
447	I	98.4	Very high	96.8	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.225	C	C	.	.			trans	-137.4	42.7	178.4	-34.3	179.7	0	0	0	109.3	L426 D427 L431 V434 L445 N450 L452 E470 L471 N474	L426-I447 HydrophobicContact CB-CG1 4.49Å; L426-I447 HydrophobicContact CB-CG2 4.24Å; D427-I447 PolarHBondContact OD1-N 2.94Å; L431-I447 HydrophobicContact CD1-CG2 3.85Å; V434-I447 HydrophobicContact CG1-CD1 4.21Å; V434-I447 HydrophobicContact CG2-CD1 4.49Å; L445-I447 HydrophobicContact CD1-CD1 4.04Å; L445-I447 HydrophobicContact CD1-CG1 3.9Å; L445-I447 HydrophobicContact CD2-CD1 4.2Å; L445-I447 HydrophobicContact CG-CD1 4.11Å; L445-I447 HydrophobicContact CG-CG1 4.04Å; I447-N450 HydrophobicContact CG2-CB 4.14Å; I447-L452 HydrophobicContact CB-CD1 4.34Å; I447-L452 HydrophobicContact CG2-CD1 4.14Å; I447-E470 PolarHBondContact N-O 3.14Å; I447-L471 HydrophobicContact CB-CD2 4.12Å; I447-L471 HydrophobicContact CD1-CD2 4.29Å; I447-L471 HydrophobicContact CG1-CD2 4.32Å; I447-N474 PolarHBondContact O-ND2 3.3Å
448	N	98.5	Very high	97	Very high	18 Å²	18	45.7 Å²	45.7	10%	0.096	23%	0.23	C	C	.	.			trans	-71.9	160.8	178.7	-53.8	-69.7	0	0	0	111.1	D427 E428 N450 E470 L471 E472	D427-N448 CarbonylContact C-O 3.27Å; D427-N448 VanDerWaalsContact CA-O 3.28Å; D427-N448 WeakPolarHBondContact CA-O 3.35Å; D427-N448 HydrophobicContact CB-CB 4.46Å; D427-N448 VanDerWaalsContact OD1-CB 3.23Å; D427-N448 WeakPolarHBondContact OD1-CB 3.41Å; D427-N448 PolarHBondContact OD1-N 3.16Å; D427-N448 PolarHBondContact OD1-ND2 3.09Å; E428-N448 PolarHBondContact N-O 3.22Å; N448-N450 VanDerWaalsContact C-N 3.3Å; N448-N450 PolarHBondContact O-N 3.07Å; N448-N450 PolarHBondContact O-ND2 2.91Å; N448-E470 WeakPolarHBondContact ND2-CB 3.42Å; N448-E470 PolarHBondContact ND2-OE2 3.06Å; N448-E470 WeakPolarHBondContact OD1-CB 3.28Å; N448-L471 PolarHBondContact OD1-N 3.21Å; N448-E472 CarbonylContact C-O 3.2Å; N448-E472 WeakPolarHBondContact CA-O 3.45Å; N448-E472 HydrophobicContact CB-CB 4.31Å; N448-E472 VanDerWaalsContact OD1-CB 3.27Å; N448-E472 WeakPolarHBondContact OD1-CB 3.15Å; N448-E472 PolarHBondContact OD1-N 3.39Å
449	E	98.3	Very high	97	Very high	68 Å²	68	46.2 Å²	46.2	32%	0.318	24%	0.235	S	C	.	.	S	Bend	trans	49.9	46.9	177.2	-56.5	-54.4	124.6	0	0	113.7	E428 E472 G473 R499	E428-E449 WeakPolarHBondContact CA-O 3.5Å; E428-E449 HydrophobicContact CB-CB 4.47Å; E428-E449 HydrophobicContact CG-CB 3.8Å; E428-E449 HydrophobicContact CG-CG 4.15Å; E449-E472 PolarHBondContact N-O 3.35Å; E449-G473 WeakPolarHBondContact CA-O 3.13Å; E449-G473 WeakPolarHBondContact OE1-CA 3.15Å; E449-R499 VanDerWaalsContact CD-NH1 3.31Å; E449-R499 VanDerWaalsContact CD-NH2 3.3Å; E449-R499 IonicContact OE1-CZ 3.57Å; E449-R499 IonicContact OE1-NH1 3.62Å; E449-R499 PolarHBondContact OE1-NH1 3.45Å; E449-R499 IonicContact OE1-NH2 2.71Å; E449-R499 PolarHBondContact OE1-NH2 2.88Å; E449-R499 VanDerWaalsContact OE1-NH2 3.08Å; E449-R499 IonicContact OE2-CZ 3.92Å; E449-R499 IonicContact OE2-NH1 3.87Å; E449-R499 PolarHBondContact OE2-NH1 2.98Å; E449-R499 IonicContact OE2-NH2 2.57Å; E449-R499 PolarHBondContact OE2-NH2 3.29Å
450	N	98.5	Very high	97.1	Very high	10 Å²	10	45.4 Å²	45.4	5%	0.053	23%	0.23	C	C	.	.	S	Bend	trans	-116.6	-159.2	178.7	-92.5	-93	0	0	0	109.8	L426 N429 L430 L431 I447 N448 L452 G473 N474	L426-N450 PolarHBondContact O-ND2 2.99Å; N429-N450 VanDerWaalsContact CB-OD1 3.29Å; N429-N450 WeakPolarHBondContact CB-OD1 3.32Å; N429-N450 PolarHBondContact N-ND2 3.02Å; N429-N450 PolarHBondContact O-OD1 2.99Å; L430-N450 PolarHBondContact N-OD1 2.88Å; L431-N450 VanDerWaalsContact CB-OD1 3.26Å; L431-N450 WeakPolarHBondContact CB-OD1 3.46Å; L431-N450 WeakPolarHBondContact CG-OD1 3.46Å; L431-N450 PolarHBondContact N-OD1 3.37Å; I447-N450 HydrophobicContact CG2-CB 4.14Å; N448-N450 VanDerWaalsContact C-N 3.3Å; N448-N450 PolarHBondContact O-N 3.07Å; N448-N450 PolarHBondContact O-ND2 2.91Å; N450-L452 HydrophobicContact CB-CG 4.46Å; N450-G473 PolarHBondContact N-O 2.88Å; N450-N474 WeakPolarHBondContact CA-OD1 3.16Å; N450-N474 VanDerWaalsContact CB-OD1 3.27Å; N450-N474 WeakPolarHBondContact CB-OD1 3.38Å; N450-N474 PolarHBondContact O-OD1 2.89Å
451	K	97.6	Very high	97	Very high	106 Å²	106	46.8 Å²	46.8	46%	0.461	23%	0.229	S	C	.	.			trans	-128.9	25.2	-174.9	-60.5	-179.1	-177.9	175.8	0	111.9	L430 L431 R453 N474	L430-K451 HydrophobicContact CD2-CD 4.36Å; L430-K451 VanDerWaalsContact CD2-NZ 3.29Å; L431-K451 CarbonylContact O-C 3.49Å; L431-K451 VanDerWaalsContact O-CA 3.27Å; L431-K451 WeakPolarHBondContact O-CA 3.44Å; L431-K451 PolarHBondContact O-N 3.09Å; K451-R453 WeakPolarHBondContact O-CG 3.21Å; K451-R453 PolarHBondContact O-N 2.95Å; K451-N474 PolarHBondContact N-OD1 3.15Å
452	L	98.1	Very high	96.8	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	24%	0.24	C	C	.	.			trans	-55.6	118.4	-174.9	-62	176.8	0	0	0	110.5	L431 D432 V434 I447 N450 L471 N474 L475 L476	L431-L452 HydrophobicContact CB-CD2 4.28Å; L431-L452 PolarHBondContact O-N 3.38Å; D432-L452 WeakPolarHBondContact O-CA 3.29Å; V434-L452 HydrophobicContact CG2-CD1 4.25Å; V434-L452 HydrophobicContact CG2-CD2 4.32Å; I447-L452 HydrophobicContact CB-CD1 4.34Å; I447-L452 HydrophobicContact CG2-CD1 4.14Å; N450-L452 HydrophobicContact CB-CG 4.46Å; L452-L471 HydrophobicContact CD1-CD2 3.8Å; L452-N474 HydrophobicContact CB-CB 4.18Å; L452-N474 VanDerWaalsContact CB-OD1 3.29Å; L452-N474 WeakPolarHBondContact CB-OD1 3.18Å; L452-N474 VanDerWaalsContact CG-OD1 3.24Å; L452-N474 WeakPolarHBondContact CG-OD1 3.44Å; L452-N474 PolarHBondContact N-OD1 3.44Å; L452-L475 CarbonylContact O-C 3.04Å; L452-L475 WeakPolarHBondContact O-CA 3.34Å; L452-L475 WeakPolarHBondContact O-CB 2.88Å; L452-L475 PolarHBondContact O-N 2.96Å; L452-L476 HydrophobicContact CB-CD2 4.07Å
453	R	95.1	Very high	96.7	Very high	156 Å²	156	49.3 Å²	49.3	59%	0.589	24%	0.241	S	C	*	.			trans	-92.8	-1.7	-173.3	-66.8	-171.6	176.2	126.9	-0.6	114.7	D432 K451 L475 N480	D432-R453 HydrophobicContact CB-CG 4.41Å; D432-R453 PolarHBondContact O-N 3.41Å; D432-R453 IonicContact OD2-CZ 3.88Å; D432-R453 IonicContact OD2-NH1 3.87Å; D432-R453 PolarHBondContact OD2-NH1 2.85Å; K451-R453 WeakPolarHBondContact O-CG 3.21Å; K451-R453 PolarHBondContact O-N 2.95Å; R453-L475 HydrophobicContact CG-CD1 4.42Å; R453-N480 VanDerWaalsContact O-CB 3.27Å; R453-N480 WeakPolarHBondContact O-CB 3.5Å; R453-N480 PolarHBondContact O-ND2 2.92Å
454	G	96.4	Very high	96.6	Very high	17 Å²	17	48.4 Å²	48.4	18%	0.175	24%	0.242	C	C	.	.			trans	167.2	175.2	-176.9	0	0	0	0	0	111.2	N480	G454-N480 CarbonylContact C-O 3.46Å; G454-N480 WeakPolarHBondContact CA-O 3.36Å
455	I	97.4	Very high	96.6	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.01	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-139.6	120.3	175.9	-51.8	176.7	0	0	0	107.7	F460 L471 L476 N480 V481 N482 A485 F486	I455-F460 HydrophobicContact CD1-CE2 4.04Å; I455-F460 HydrophobicContact CD1-CZ 4.2Å; I455-F460 HydrophobicContact CG2-CD2 4.09Å; I455-F460 HydrophobicContact CG2-CE2 3.56Å; I455-F460 HydrophobicContact CG2-CZ 4.09Å; I455-L471 HydrophobicContact CD1-CD1 3.89Å; I455-L476 HydrophobicContact CD1-CD1 3.81Å; I455-L476 HydrophobicContact CD1-CD2 4.2Å; I455-L476 HydrophobicContact CG1-CD1 4.37Å; I455-L476 HydrophobicContact CG1-CD2 3.83Å; I455-N480 PolarHBondContact N-O 2.93Å; I455-V481 HydrophobicContact CB-CG1 4.39Å; I455-V481 HydrophobicContact CB-CG2 4.37Å; I455-V481 HydrophobicContact CD1-CG2 4.14Å; I455-V481 HydrophobicContact CG1-CG2 4.14Å; I455-N482 WeakPolarHBondContact O-CB 3.44Å; I455-N482 PolarHBondContact O-N 2.95Å; I455-A485 HydrophobicContact CB-CB 4.27Å; I455-A485 HydrophobicContact CG2-CB 3.62Å; I455-F486 HydrophobicContact CD1-CE1 4.24Å; I455-F486 HydrophobicContact CD1-CZ 4.12Å
456	D	95.7	Very high	96.6	Very high	113 Å²	113	48.6 Å²	48.6	60%	0.604	25%	0.246	S	C	*	.			trans	-84.2	164.9	-179.7	-72.8	-52.9	0	0	0	111.9	N458 S459 A485	D456-N458 PolarHBondContact O-N 3.4Å; D456-S459 PolarHBondContact N-OG 2.96Å; D456-S459 PolarHBondContact O-N 2.91Å; D456-S459 PolarHBondContact O-OG 3.46Å; D456-A485 WeakPolarHBondContact O-CB 3.43Å
457	E	95.2	Very high	96.6	Very high	72 Å²	72	48.7 Å²	48.7	34%	0.336	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-31	179.7	-168.6	150.9	-167.6	0	0	113.3	R484	E457-R484 HydrophobicContact CG-CB 4.02Å; E457-R484 VanDerWaalsContact OE1-CD 3.31Å; E457-R484 WeakPolarHBondContact OE1-CD 3.49Å; E457-R484 IonicContact OE1-CZ 2.63Å; E457-R484 IonicContact OE1-NE 3.86Å; E457-R484 IonicContact OE1-NH1 3.52Å; E457-R484 PolarHBondContact OE1-NH1 2.57Å; E457-R484 IonicContact OE2-NH1 3.52Å
458	N	94.1	Very high	96.6	Very high	117 Å²	117	50.9 Å²	50.9	63%	0.626	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.6	0.5	-176.5	-57.4	-21.8	0	0	0	113.8	D456 F460 Q461	D456-N458 PolarHBondContact O-N 3.4Å; N458-F460 PolarHBondContact O-N 3.47Å; N458-F460 VanDerWaalsContact O-N 3.11Å; N458-Q461 HydrophobicContact CB-CB 4.42Å; N458-Q461 VanDerWaalsContact O-CB 3.29Å; N458-Q461 WeakPolarHBondContact O-CB 3.43Å; N458-Q461 PolarHBondContact O-N 2.92Å
459	S	94.9	Very high	96.6	Very high	27 Å²	27	50 Å²	50	19%	0.189	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-20.4	-174.6	-67.1	0	0	0	0	114.1	D456	D456-S459 PolarHBondContact N-OG 2.96Å; D456-S459 PolarHBondContact O-N 2.91Å; D456-S459 PolarHBondContact O-OG 3.46Å
460	F	96.1	Very high	96.6	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.9	26.9	174.3	-55.6	-54	0	0	0	112.6	V434 L445 I455 N458 L463 L469 L471 F486 P488 L489	V434-F460 HydrophobicContact CG1-CD1 4.25Å; V434-F460 HydrophobicContact CG1-CE1 3.78Å; V434-F460 HydrophobicContact CG2-CE1 4.08Å; V434-F460 HydrophobicContact CG2-CZ 4.15Å; L445-F460 HydrophobicContact CD2-CE1 4.31Å; I455-F460 HydrophobicContact CD1-CE2 4.04Å; I455-F460 HydrophobicContact CD1-CZ 4.2Å; I455-F460 HydrophobicContact CG2-CD2 4.09Å; I455-F460 HydrophobicContact CG2-CE2 3.56Å; I455-F460 HydrophobicContact CG2-CZ 4.09Å; N458-F460 PolarHBondContact O-N 3.47Å; N458-F460 VanDerWaalsContact O-N 3.11Å; F460-L463 HydrophobicContact CB-CD1 4.31Å; F460-L463 HydrophobicContact CD1-CD1 4.08Å; F460-L463 PolarHBondContact O-N 2.96Å; F460-L469 HydrophobicContact CD2-CD2 4.38Å; F460-L469 HydrophobicContact CE1-CD1 4.17Å; F460-L469 HydrophobicContact CE1-CD2 4.19Å; F460-L469 HydrophobicContact CE2-CD2 3.86Å; F460-L469 HydrophobicContact CZ-CD1 4.24Å; F460-L469 HydrophobicContact CZ-CD2 3.77Å; F460-L471 HydrophobicContact CZ-CD1 4.07Å; F460-F486 HydrophobicContact CD2-CD1 4.16Å; F460-F486 HydrophobicContact CD2-CE1 4.47Å; F460-F486 AromaticContact CE2-CD1 3.95Å; F460-F486 HydrophobicContact CE2-CD1 3.95Å; F460-F486 AromaticContact CE2-CE1 3.81Å; F460-F486 HydrophobicContact CE2-CE1 3.81Å; F460-P488 WeakPolarHBondContact O-CB 3.27Å; F460-L489 HydrophobicContact CB-CD1 4.24Å; F460-L489 HydrophobicContact CB-CD2 3.81Å; F460-L489 HydrophobicContact CB-CG 4.1Å; F460-L489 HydrophobicContact CD2-CD1 3.98Å; F460-L489 HydrophobicContact CG-CD1 4.18Å; F460-L489 HydrophobicContact CG-CD2 4.45Å
461	Q	93.8	Very high	96.6	Very high	93 Å²	93	47.3 Å²	47.3	44%	0.435	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	142.6	177.2	-175.5	56.4	52.3	0	0	111	N458 L463	N458-Q461 HydrophobicContact CB-CB 4.42Å; N458-Q461 VanDerWaalsContact O-CB 3.29Å; N458-Q461 WeakPolarHBondContact O-CB 3.43Å; N458-Q461 PolarHBondContact O-N 2.92Å; Q461-L463 PolarHBondContact O-N 3.37Å
462	D	91.9	Very high	96.6	Very high	102 Å²	102	43.5 Å²	43.5	55%	0.545	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.2	-4.5	-179.8	-58.6	-24.1	0	0	0	117.4	S440 S464	S440-D462 WeakPolarHBondContact CB-O 3.26Å; D462-S464 PolarHBondContact O-N 3.44Å; D462-S464 PolarHBondContact O-OG 3.34Å
463	L	96.5	Very high	96.6	Very high	2 Å²	2	44.1 Å²	44.1	1%	0.01	23%	0.233	C	C	.	.			trans	-73.1	40.3	175.8	-59.5	-172.2	0	0	0	114.1	L438 P439 L442 L445 F460 Q461 S465 L466 L489	L438-L463 HydrophobicContact CB-CD1 4.38Å; L438-L463 HydrophobicContact CB-CD2 3.95Å; L438-L463 HydrophobicContact CD1-CD1 4.3Å; P439-L463 WeakPolarHBondContact O-CD2 3.28Å; L442-L463 HydrophobicContact CB-CD2 4.43Å; L445-L463 HydrophobicContact CD2-CD1 4.39Å; F460-L463 HydrophobicContact CB-CD1 4.31Å; F460-L463 HydrophobicContact CD1-CD1 4.08Å; F460-L463 PolarHBondContact O-N 2.96Å; Q461-L463 PolarHBondContact O-N 3.37Å; L463-S465 PolarHBondContact O-N 3.41Å; L463-S465 VanDerWaalsContact O-N 3.14Å; L463-L466 HydrophobicContact CB-CB 4.36Å; L463-L466 VanDerWaalsContact O-CB 3.25Å; L463-L466 WeakPolarHBondContact O-CB 3.12Å; L463-L466 PolarHBondContact O-N 3.09Å; L463-L466 VanDerWaalsContact O-N 3.08Å; L463-L489 HydrophobicContact CB-CD2 3.77Å; L463-L489 WeakPolarHBondContact O-CD2 3.31Å
464	S	96.3	Very high	96.8	Very high	47 Å²	47	36.8 Å²	36.8	33%	0.329	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-12.1	-179	60.5	0	0	0	0	115.3	D462 Q491	D462-S464 PolarHBondContact O-N 3.44Å; D462-S464 PolarHBondContact O-OG 3.34Å; S464-Q491 WeakPolarHBondContact O-CG 3.15Å; S464-Q491 PolarHBondContact O-NE2 3.49Å
465	S	97.8	Very high	96.9	Very high	30 Å²	30	39.6 Å²	39.6	21%	0.21	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-5	174.3	-52.1	0	0	0	0	113.9	S440 L442 L463 V467	S440-S465 VanDerWaalsContact O-CB 3.23Å; S440-S465 WeakPolarHBondContact O-CB 3.47Å; S440-S465 PolarHBondContact O-OG 3.22Å; L442-S465 CarbonylContact O-C 3.45Å; L442-S465 VanDerWaalsContact O-C 3.25Å; L463-S465 PolarHBondContact O-N 3.41Å; L463-S465 VanDerWaalsContact O-N 3.14Å; S465-V467 PolarHBondContact O-N 3.45Å
466	L	98.5	Very high	96.9	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.216	C	C	.	.			trans	-72.3	128.7	-173.1	-160.1	74.8	0	0	0	111	L442 L445 L463 L469 L489 Q491 L492	L442-L466 HydrophobicContact CB-CD1 4.4Å; L442-L466 HydrophobicContact CD2-CD1 4.17Å; L442-L466 HydrophobicContact CG-CD1 4.07Å; L442-L466 WeakPolarHBondContact O-CA 3.4Å; L442-L466 PolarHBondContact O-N 2.82Å; L445-L466 HydrophobicContact CB-CD1 3.84Å; L445-L466 HydrophobicContact CB-CD2 4.41Å; L463-L466 HydrophobicContact CB-CB 4.36Å; L463-L466 VanDerWaalsContact O-CB 3.25Å; L463-L466 WeakPolarHBondContact O-CB 3.12Å; L463-L466 PolarHBondContact O-N 3.09Å; L463-L466 VanDerWaalsContact O-N 3.08Å; L466-L469 HydrophobicContact CD2-CB 3.98Å; L466-L469 HydrophobicContact CD2-CD1 4.25Å; L466-L469 HydrophobicContact CD2-CD2 4.31Å; L466-L469 HydrophobicContact CD2-CG 4.41Å; L466-L489 HydrophobicContact CB-CD2 4.03Å; L466-L489 HydrophobicContact CD2-CD1 4.37Å; L466-L489 HydrophobicContact CD2-CD2 3.83Å; L466-Q491 CarbonylContact O-C 3.33Å; L466-L492 HydrophobicContact CD2-CD1 4.3Å; L466-L492 HydrophobicContact CG-CD1 4.37Å; L466-L492 VanDerWaalsContact O-CA 3.23Å; L466-L492 WeakPolarHBondContact O-CA 3.28Å; L466-L492 PolarHBondContact O-N 3.46Å
467	V	98.6	Very high	97	Very high	42 Å²	42	35.3 Å²	35.3	26%	0.255	20%	0.196	S	C	.	.			trans	-111.7	-37.4	-176.2	-176.8	0	0	0	0	110.9	Q443 S465 S493 Y494	Q443-V467 PolarHBondContact O-N 3.06Å; S465-V467 PolarHBondContact O-N 3.45Å; V467-S493 VanDerWaalsContact CG1-OG 3.22Å; V467-S493 WeakPolarHBondContact CG1-OG 3.45Å; V467-S493 PolarHBondContact O-N 3.49Å; V467-S493 PolarHBondContact O-OG 3.21Å; V467-Y494 PolarHBondContact O-N 2.89Å
468	I	98.8	Very high	96.9	Very high	47 Å²	47	35.7 Å²	35.7	24%	0.241	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	127.4	-179.1	-61.4	170.3	0	0	0	109	Q443 E444 L445 E470 Y494	Q443-I468 PolarHBondContact O-N 2.9Å; E444-I468 WeakPolarHBondContact CA-O 3.49Å; E444-I468 HydrophobicContact CB-CB 4.31Å; E444-I468 HydrophobicContact CG-CB 4.02Å; E444-I468 HydrophobicContact CG-CD1 4.28Å; E444-I468 HydrophobicContact CG-CG2 4.05Å; L445-I468 PolarHBondContact N-O 2.81Å; I468-E470 HydrophobicContact CG2-CG 4.09Å; I468-Y494 HydrophobicContact CG2-CD1 3.94Å
469	L	98.8	Very high	96.9	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	123.4	173.6	177.9	56.4	0	0	0	110.2	L445 F460 L466 L471 F486 L489 L492 Y494 L495 R496	L445-L469 HydrophobicContact CB-CD1 4.14Å; L445-L469 HydrophobicContact CD2-CD1 4.05Å; L445-L469 HydrophobicContact CG-CD1 4.1Å; L445-L469 WeakPolarHBondContact O-CA 3.47Å; F460-L469 HydrophobicContact CD2-CD2 4.38Å; F460-L469 HydrophobicContact CE1-CD1 4.17Å; F460-L469 HydrophobicContact CE1-CD2 4.19Å; F460-L469 HydrophobicContact CE2-CD2 3.86Å; F460-L469 HydrophobicContact CZ-CD1 4.24Å; F460-L469 HydrophobicContact CZ-CD2 3.77Å; L466-L469 HydrophobicContact CD2-CB 3.98Å; L466-L469 HydrophobicContact CD2-CD1 4.25Å; L466-L469 HydrophobicContact CD2-CD2 4.31Å; L466-L469 HydrophobicContact CD2-CG 4.41Å; L469-L471 HydrophobicContact CD1-CD1 4.14Å; L469-L471 HydrophobicContact CD1-CD2 4.09Å; L469-L471 HydrophobicContact CD1-CG 3.98Å; L469-L471 HydrophobicContact CD2-CD1 4.05Å; L469-L471 HydrophobicContact CG-CD1 3.95Å; L469-L471 HydrophobicContact CG-CG 4.1Å; L469-F486 HydrophobicContact CD2-CD1 4.34Å; L469-F486 HydrophobicContact CD2-CE1 4.26Å; L469-L489 HydrophobicContact CD2-CD1 3.7Å; L469-L492 HydrophobicContact CB-CD1 3.57Å; L469-L492 HydrophobicContact CB-CD2 4.47Å; L469-Y494 PolarHBondContact N-O 3.32Å; L469-Y494 VanDerWaalsContact N-O 3.07Å; L469-L495 HydrophobicContact CB-CD1 4.03Å; L469-L495 HydrophobicContact CD2-CD1 3.95Å; L469-L495 HydrophobicContact CG-CD1 3.92Å; L469-L495 WeakPolarHBondContact O-CA 3.24Å; L469-R496 PolarHBondContact O-N 2.67Å
470	E	98.8	Very high	96.9	Very high	21 Å²	21	34.5 Å²	34.5	10%	0.098	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	126.7	-178.9	-54.7	-178.5	-178.1	0	0	111.7	L445 K446 I447 N448 I468 Y494 R496	L445-E470 PolarHBondContact O-N 3.31Å; K446-E470 HydrophobicContact CB-CB 4.42Å; K446-E470 WeakPolarHBondContact CD-OE2 3.23Å; K446-E470 HydrophobicContact CG-CB 4.26Å; K446-E470 HydrophobicContact CG-CG 4.28Å; K446-E470 WeakPolarHBondContact CG-OE2 3.38Å; K446-E470 IonicContact NZ-OE1 2.66Å; K446-E470 PolarHBondContact NZ-OE1 3.24Å; K446-E470 IonicContact NZ-OE2 2.83Å; K446-E470 PolarHBondContact NZ-OE2 2.7Å; I447-E470 PolarHBondContact N-O 3.14Å; N448-E470 WeakPolarHBondContact ND2-CB 3.42Å; N448-E470 PolarHBondContact ND2-OE2 3.06Å; N448-E470 WeakPolarHBondContact OD1-CB 3.28Å; I468-E470 HydrophobicContact CG2-CG 4.09Å; E470-Y494 HydrophobicContact CG-CD1 4.46Å; E470-Y494 HydrophobicContact CG-CE1 4.06Å; E470-R496 HydrophobicContact CB-CB 4.16Å; E470-R496 HydrophobicContact CG-CB 3.99Å
471	L	98.4	Very high	97	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	21%	0.21	C	C	.	.			trans	-141.7	24.9	-169.4	-60.6	170.2	0	0	0	110.9	I447 N448 L452 I455 F460 L469 N474 L476 F486 R496 L497 N500	I447-L471 HydrophobicContact CB-CD2 4.12Å; I447-L471 HydrophobicContact CD1-CD2 4.29Å; I447-L471 HydrophobicContact CG1-CD2 4.32Å; N448-L471 PolarHBondContact OD1-N 3.21Å; L452-L471 HydrophobicContact CD1-CD2 3.8Å; I455-L471 HydrophobicContact CD1-CD1 3.89Å; F460-L471 HydrophobicContact CZ-CD1 4.07Å; L469-L471 HydrophobicContact CD1-CD1 4.14Å; L469-L471 HydrophobicContact CD1-CD2 4.09Å; L469-L471 HydrophobicContact CD1-CG 3.98Å; L469-L471 HydrophobicContact CD2-CD1 4.05Å; L469-L471 HydrophobicContact CG-CD1 3.95Å; L469-L471 HydrophobicContact CG-CG 4.1Å; L471-N474 PolarHBondContact O-ND2 3.06Å; L471-L476 HydrophobicContact CB-CD1 4.22Å; L471-L476 HydrophobicContact CD1-CD1 4.39Å; L471-F486 HydrophobicContact CD1-CE1 4.5Å; L471-R496 PolarHBondContact N-O 2.96Å; L471-L497 HydrophobicContact CB-CD2 3.97Å; L471-L497 HydrophobicContact CD1-CD2 3.93Å; L471-N500 PolarHBondContact O-ND2 2.92Å
472	E	98.1	Very high	97.1	Very high	25 Å²	25	32.8 Å²	32.8	12%	0.117	20%	0.2	C	C	.	.			trans	-61.2	151.4	178.8	179.5	164.6	-154.7	0	0	111.8	N448 E449 N474 R496 G498 R499	N448-E472 CarbonylContact C-O 3.2Å; N448-E472 WeakPolarHBondContact CA-O 3.45Å; N448-E472 HydrophobicContact CB-CB 4.31Å; N448-E472 VanDerWaalsContact OD1-CB 3.27Å; N448-E472 WeakPolarHBondContact OD1-CB 3.15Å; N448-E472 PolarHBondContact OD1-N 3.39Å; E449-E472 PolarHBondContact N-O 3.35Å; E472-N474 PolarHBondContact O-ND2 3.47Å; E472-R496 HydrophobicContact CB-CG 4.34Å; E472-R496 IonicContact OE1-NH2 3.52Å; E472-R496 PolarHBondContact OE1-NH2 3.12Å; E472-R496 IonicContact OE2-CZ 3.69Å; E472-R496 IonicContact OE2-NE 3.47Å; E472-R496 PolarHBondContact OE2-NE 3.02Å; E472-R496 IonicContact OE2-NH2 3.86Å; E472-R496 PolarHBondContact OE2-NH2 3.41Å; E472-G498 VanDerWaalsContact CA-O 3.25Å; E472-G498 WeakPolarHBondContact CA-O 3.45Å; E472-G498 WeakPolarHBondContact CG-O 3.34Å; E472-R499 HydrophobicContact CG-CB 3.95Å; E472-R499 HydrophobicContact CG-CG 4.3Å; E472-R499 WeakPolarHBondContact OE1-CD 3.29Å
473	G	98.1	Very high	97.2	Very high	13 Å²	13	31.9 Å²	31.9	13%	0.134	20%	0.2	C	C	.	.	S	Bend	trans	67.9	44.7	170.9	0	0	0	0	0	113	E449 N450 G498 R499	E449-G473 WeakPolarHBondContact CA-O 3.13Å; E449-G473 WeakPolarHBondContact OE1-CA 3.15Å; N450-G473 PolarHBondContact N-O 2.88Å; G473-G498 PolarHBondContact N-O 3.46Å; G473-G498 VanDerWaalsContact N-O 3.15Å; G473-R499 VanDerWaalsContact CA-O 3.28Å; G473-R499 WeakPolarHBondContact CA-O 3.18Å; G473-R499 PolarHBondContact N-O 2.82Å
474	N	98.6	Very high	97.1	Very high	2 Å²	2	39 Å²	39	1%	0.011	23%	0.227	C	C	.	.	S	Bend	trans	-127.2	-176.1	-178.2	-83.7	-75.1	0	0	0	111.5	I447 N450 K451 L452 L471 E472 L476 R499 N500 H501	I447-N474 PolarHBondContact O-ND2 3.3Å; N450-N474 WeakPolarHBondContact CA-OD1 3.16Å; N450-N474 VanDerWaalsContact CB-OD1 3.27Å; N450-N474 WeakPolarHBondContact CB-OD1 3.38Å; N450-N474 PolarHBondContact O-OD1 2.89Å; K451-N474 PolarHBondContact N-OD1 3.15Å; L452-N474 HydrophobicContact CB-CB 4.18Å; L452-N474 VanDerWaalsContact CB-OD1 3.29Å; L452-N474 WeakPolarHBondContact CB-OD1 3.18Å; L452-N474 VanDerWaalsContact CG-OD1 3.24Å; L452-N474 WeakPolarHBondContact CG-OD1 3.44Å; L452-N474 PolarHBondContact N-OD1 3.44Å; L471-N474 PolarHBondContact O-ND2 3.06Å; E472-N474 PolarHBondContact O-ND2 3.47Å; N474-L476 HydrophobicContact CB-CG 4.14Å; N474-R499 PolarHBondContact N-O 3.06Å; N474-N500 WeakPolarHBondContact CA-OD1 3.41Å; N474-N500 VanDerWaalsContact CB-OD1 3.22Å; N474-N500 WeakPolarHBondContact CB-OD1 3.38Å; N474-N500 PolarHBondContact O-OD1 3.24Å; N474-N500 VanDerWaalsContact O-OD1 3.09Å; N474-H501 PolarHBondContact O-ND1 2.98Å
475	L	97.9	Very high	97	Very high	77 Å²	77	36.8 Å²	36.8	40%	0.403	21%	0.211	S	C	.	.			trans	-104	29.9	-177.2	-51.3	178.3	0	0	0	112	L452 R453 N480	L452-L475 CarbonylContact O-C 3.04Å; L452-L475 WeakPolarHBondContact O-CA 3.34Å; L452-L475 WeakPolarHBondContact O-CB 2.88Å; L452-L475 PolarHBondContact O-N 2.96Å; R453-L475 HydrophobicContact CG-CD1 4.42Å; L475-N480 PolarHBondContact O-ND2 2.71Å
476	L	98.1	Very high	96.9	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.202	C	C	.	.			trans	-78.8	146.1	-177.7	-52.6	177.1	0	0	0	112	L452 I455 L471 N474 N480 V481 L497 N500 H501 F502	L452-L476 HydrophobicContact CB-CD2 4.07Å; I455-L476 HydrophobicContact CD1-CD1 3.81Å; I455-L476 HydrophobicContact CD1-CD2 4.2Å; I455-L476 HydrophobicContact CG1-CD1 4.37Å; I455-L476 HydrophobicContact CG1-CD2 3.83Å; L471-L476 HydrophobicContact CB-CD1 4.22Å; L471-L476 HydrophobicContact CD1-CD1 4.39Å; N474-L476 HydrophobicContact CB-CG 4.14Å; L476-N480 WeakPolarHBondContact CA-OD1 3.42Å; L476-V481 HydrophobicContact CB-CG2 4.08Å; L476-V481 HydrophobicContact CD2-CG2 4.23Å; L476-L497 HydrophobicContact CD1-CD2 3.85Å; L476-N500 HydrophobicContact CB-CB 4.36Å; L476-N500 WeakPolarHBondContact CB-OD1 3.45Å; L476-N500 VanDerWaalsContact CG-OD1 3.3Å; L476-N500 WeakPolarHBondContact CG-OD1 3.35Å; L476-N500 PolarHBondContact N-OD1 2.9Å; L476-H501 CarbonylContact O-C 3.39Å; L476-H501 WeakPolarHBondContact O-CA 3.05Å; L476-H501 WeakPolarHBondContact O-CB 3.24Å; L476-H501 PolarHBondContact O-N 2.87Å; L476-F502 HydrophobicContact CB-CE1 4.47Å; L476-F502 HydrophobicContact CB-CE2 3.83Å; L476-F502 HydrophobicContact CB-CZ 3.63Å
477	S	97.1	Very high	96.7	Very high	25 Å²	25	38.1 Å²	38.1	18%	0.175	22%	0.224	C	C	.	.			trans	-155.1	166	179.2	62.7	0	0	0	0	110.9	G479 N480 V481	S477-G479 PolarHBondContact O-N 3.48Å; S477-N480 PolarHBondContact N-OD1 3.41Å; S477-N480 PolarHBondContact O-N 2.79Å; S477-N480 PolarHBondContact O-OD1 2.85Å; S477-N480 VanDerWaalsContact O-OD1 3.06Å; S477-N480 VanDerWaalsContact OG-CG 3.32Å; S477-N480 PolarHBondContact OG-ND2 2.71Å; S477-N480 VanDerWaalsContact OG-ND2 3.14Å; S477-V481 PolarHBondContact O-N 3.26Å; S477-V481 VanDerWaalsContact O-N 3.13Å
478	E	93.3	Very high	96.6	Very high	80 Å²	80	37.5 Å²	37.5	37%	0.374	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-18.4	176.5	69.5	-72.4	167	0	0	113.8	R503	E478-R503 WeakPolarHBondContact OE1-CD 3.48Å; E478-R503 PolarHBondContact OE2-N 2.8Å
479	G	93.9	Very high	96.5	Very high	73 Å²	73	35.2 Å²	35.2	75%	0.753	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-8.4	176.9	0	0	0	0	0	115.5	S477	S477-G479 PolarHBondContact O-N 3.48Å
480	N	96.5	Very high	96.3	Very high	46 Å²	46	40.7 Å²	40.7	25%	0.246	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129	-5.8	-177.6	70.2	23.9	0	0	0	115.2	R453 G454 I455 L475 L476 S477	R453-N480 VanDerWaalsContact O-CB 3.27Å; R453-N480 WeakPolarHBondContact O-CB 3.5Å; R453-N480 PolarHBondContact O-ND2 2.92Å; G454-N480 CarbonylContact C-O 3.46Å; G454-N480 WeakPolarHBondContact CA-O 3.36Å; I455-N480 PolarHBondContact N-O 2.93Å; L475-N480 PolarHBondContact O-ND2 2.71Å; L476-N480 WeakPolarHBondContact CA-OD1 3.42Å; S477-N480 PolarHBondContact N-OD1 3.41Å; S477-N480 PolarHBondContact O-N 2.79Å; S477-N480 PolarHBondContact O-OD1 2.85Å; S477-N480 VanDerWaalsContact O-OD1 3.06Å; S477-N480 VanDerWaalsContact OG-CG 3.32Å; S477-N480 PolarHBondContact OG-ND2 2.71Å; S477-N480 VanDerWaalsContact OG-ND2 3.14Å
481	V	97.1	Very high	96.3	Very high	12 Å²	12	44.4 Å²	44.4	7%	0.073	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-95.8	120.7	168.3	175.9	0	0	0	0	109.5	I455 L476 S477 F486 F502	I455-V481 HydrophobicContact CB-CG1 4.39Å; I455-V481 HydrophobicContact CB-CG2 4.37Å; I455-V481 HydrophobicContact CD1-CG2 4.14Å; I455-V481 HydrophobicContact CG1-CG2 4.14Å; L476-V481 HydrophobicContact CB-CG2 4.08Å; L476-V481 HydrophobicContact CD2-CG2 4.23Å; S477-V481 PolarHBondContact O-N 3.26Å; S477-V481 VanDerWaalsContact O-N 3.13Å; V481-F486 HydrophobicContact CG1-CE2 3.74Å; V481-F486 HydrophobicContact CG1-CZ 4.06Å; V481-F502 HydrophobicContact CB-CE1 4.42Å; V481-F502 HydrophobicContact CG2-CE1 3.96Å; V481-F502 HydrophobicContact CG2-CZ 3.9Å
482	N	96.4	Very high	96.3	Very high	44 Å²	44	44.4 Å²	44.4	24%	0.235	26%	0.255	C	S	.	.			trans	-66.4	130.4	177.4	-176.3	-56.5	0	0	0	110.5	I455 R484 A485	I455-N482 WeakPolarHBondContact O-CB 3.44Å; I455-N482 PolarHBondContact O-N 2.95Å; N482-R484 PolarHBondContact O-N 2.91Å; N482-R484 PolarHBondContact OD1-N 2.89Å; N482-A485 HydrophobicContact CB-CB 4.35Å; N482-A485 VanDerWaalsContact O-CB 3.32Å; N482-A485 WeakPolarHBondContact O-CB 3.31Å; N482-A485 PolarHBondContact O-N 3.28Å
483	P	93	Very high	96.3	Very high	84 Å²	84	44.7 Å²	44.7	55%	0.545	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	0.6	179.4	-27.1	36.2	0	0	0	117.3	Q507 G508	P483-Q507 HydrophobicContact CB-CB 4.19Å; P483-G508 WeakPolarHBondContact O-CA 3.4Å
484	R	94.3	Very high	96.3	Very high	151 Å²	151	46.2 Å²	46.2	57%	0.57	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118	-1	170	-58.8	-154.8	-161	88.7	7.3	114.5	E457 N482 F486 A487	E457-R484 HydrophobicContact CG-CB 4.02Å; E457-R484 VanDerWaalsContact OE1-CD 3.31Å; E457-R484 WeakPolarHBondContact OE1-CD 3.49Å; E457-R484 IonicContact OE1-CZ 2.63Å; E457-R484 IonicContact OE1-NE 3.86Å; E457-R484 IonicContact OE1-NH1 3.52Å; E457-R484 PolarHBondContact OE1-NH1 2.57Å; E457-R484 IonicContact OE2-NH1 3.52Å; N482-R484 PolarHBondContact O-N 2.91Å; N482-R484 PolarHBondContact OD1-N 2.89Å; R484-F486 PolarHBondContact O-N 2.82Å; R484-F486 VanDerWaalsContact O-N 3.14Å; R484-A487 HydrophobicContact CB-CB 4.44Å; R484-A487 WeakPolarHBondContact O-CB 3.43Å; R484-A487 PolarHBondContact O-N 2.95Å
485	A	95.6	Very high	96.3	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-37.6	-176	0	0	0	0	0	113.8	I455 D456 N482 P488	I455-A485 HydrophobicContact CB-CB 4.27Å; I455-A485 HydrophobicContact CG2-CB 3.62Å; D456-A485 WeakPolarHBondContact O-CB 3.43Å; N482-A485 HydrophobicContact CB-CB 4.35Å; N482-A485 VanDerWaalsContact O-CB 3.32Å; N482-A485 WeakPolarHBondContact O-CB 3.31Å; N482-A485 PolarHBondContact O-N 3.28Å; A485-P488 WeakPolarHBondContact O-CD 3.17Å
486	F	95.9	Very high	96.4	Very high	1 Å²	1	44.6 Å²	44.6	0%	0.004	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-3.7	178.9	-50.2	-69.3	0	0	0	114.2	I455 F460 L469 L471 V481 R484 P488 L489 L495 L497 L509	I455-F486 HydrophobicContact CD1-CE1 4.24Å; I455-F486 HydrophobicContact CD1-CZ 4.12Å; F460-F486 HydrophobicContact CD2-CD1 4.16Å; F460-F486 HydrophobicContact CD2-CE1 4.47Å; F460-F486 AromaticContact CE2-CD1 3.95Å; F460-F486 HydrophobicContact CE2-CD1 3.95Å; F460-F486 AromaticContact CE2-CE1 3.81Å; F460-F486 HydrophobicContact CE2-CE1 3.81Å; L469-F486 HydrophobicContact CD2-CD1 4.34Å; L469-F486 HydrophobicContact CD2-CE1 4.26Å; L471-F486 HydrophobicContact CD1-CE1 4.5Å; V481-F486 HydrophobicContact CG1-CE2 3.74Å; V481-F486 HydrophobicContact CG1-CZ 4.06Å; R484-F486 PolarHBondContact O-N 2.82Å; R484-F486 VanDerWaalsContact O-N 3.14Å; F486-P488 VanDerWaalsContact C-CD 3.46Å; F486-L489 HydrophobicContact CB-CD1 4.37Å; F486-L489 HydrophobicContact CD1-CD1 4.05Å; F486-L489 WeakPolarHBondContact O-CB 3.45Å; F486-L489 PolarHBondContact O-N 2.83Å; F486-L489 VanDerWaalsContact O-N 3.14Å; F486-L495 HydrophobicContact CE1-CD1 4.4Å; F486-L495 HydrophobicContact CE1-CD2 4.47Å; F486-L497 HydrophobicContact CZ-CD1 4.27Å; F486-L509 HydrophobicContact CD2-CD2 4.18Å; F486-L509 HydrophobicContact CE2-CD2 4.36Å
487	A	93.9	Very high	96.4	Very high	58 Å²	58	44.6 Å²	44.6	48%	0.479	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-31.1	-176.6	0	0	0	0	0	115.3	R484 L489	R484-A487 HydrophobicContact CB-CB 4.44Å; R484-A487 WeakPolarHBondContact O-CB 3.43Å; R484-A487 PolarHBondContact O-N 2.95Å; A487-L489 PolarHBondContact O-N 2.88Å
488	P	95.4	Very high	96.4	Very high	28 Å²	28	43.4 Å²	43.4	18%	0.182	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-18.5	173.2	-21.9	34.7	0	0	0	114.4	F460 A485 F486 I490	F460-P488 WeakPolarHBondContact O-CB 3.27Å; A485-P488 WeakPolarHBondContact O-CD 3.17Å; F486-P488 VanDerWaalsContact C-CD 3.46Å; P488-I490 PolarHBondContact O-N 3.44Å
489	L	97	Very high	96.7	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.244	C	C	.	.			trans	-82.8	56.7	-168.2	-58.9	-178.2	0	0	0	112.7	F460 L463 L466 L469 F486 A487 Q491 L492 S512	F460-L489 HydrophobicContact CB-CD1 4.24Å; F460-L489 HydrophobicContact CB-CD2 3.81Å; F460-L489 HydrophobicContact CB-CG 4.1Å; F460-L489 HydrophobicContact CD2-CD1 3.98Å; F460-L489 HydrophobicContact CG-CD1 4.18Å; F460-L489 HydrophobicContact CG-CD2 4.45Å; L463-L489 HydrophobicContact CB-CD2 3.77Å; L463-L489 WeakPolarHBondContact O-CD2 3.31Å; L466-L489 HydrophobicContact CB-CD2 4.03Å; L466-L489 HydrophobicContact CD2-CD1 4.37Å; L466-L489 HydrophobicContact CD2-CD2 3.83Å; L469-L489 HydrophobicContact CD2-CD1 3.7Å; F486-L489 HydrophobicContact CB-CD1 4.37Å; F486-L489 HydrophobicContact CD1-CD1 4.05Å; F486-L489 WeakPolarHBondContact O-CB 3.45Å; F486-L489 PolarHBondContact O-N 2.83Å; F486-L489 VanDerWaalsContact O-N 3.14Å; A487-L489 PolarHBondContact O-N 2.88Å; L489-Q491 PolarHBondContact O-N 3.25Å; L489-L492 HydrophobicContact CB-CB 3.94Å; L489-L492 HydrophobicContact CB-CD2 4.4Å; L489-L492 HydrophobicContact CD1-CD2 4.01Å; L489-L492 WeakPolarHBondContact O-CB 3.48Å; L489-L492 PolarHBondContact O-N 2.97Å; L489-L492 VanDerWaalsContact O-N 3.09Å; L489-S512 PolarHBondContact O-OG 3.1Å
490	I	95.9	Very high	96.9	Very high	114 Å²	114	41.7 Å²	41.7	59%	0.585	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-8.3	-169.7	60.7	165.4	0	0	0	116	P488 S512	P488-I490 PolarHBondContact O-N 3.44Å; I490-S512 WeakPolarHBondContact O-CB 3.32Å
491	Q	97.8	Very high	96.9	Very high	99 Å²	99	44 Å²	44	46%	0.463	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.3	0	176.2	-72.1	-177.9	64.1	0	0	113.4	S464 L466 L489 S493	S464-Q491 WeakPolarHBondContact O-CG 3.15Å; S464-Q491 PolarHBondContact O-NE2 3.49Å; L466-Q491 CarbonylContact O-C 3.33Å; L489-Q491 PolarHBondContact O-N 3.25Å; Q491-S493 PolarHBondContact O-N 3.33Å
492	L	98.3	Very high	97	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.215	C	C	.	.			trans	-66.4	117.7	-173.1	-171	77.2	0	0	0	110.7	L466 L469 L489 L495 P510 S512 L513	L466-L492 HydrophobicContact CD2-CD1 4.3Å; L466-L492 HydrophobicContact CG-CD1 4.37Å; L466-L492 VanDerWaalsContact O-CA 3.23Å; L466-L492 WeakPolarHBondContact O-CA 3.28Å; L466-L492 PolarHBondContact O-N 3.46Å; L469-L492 HydrophobicContact CB-CD1 3.57Å; L469-L492 HydrophobicContact CB-CD2 4.47Å; L489-L492 HydrophobicContact CB-CB 3.94Å; L489-L492 HydrophobicContact CB-CD2 4.4Å; L489-L492 HydrophobicContact CD1-CD2 4.01Å; L489-L492 WeakPolarHBondContact O-CB 3.48Å; L489-L492 PolarHBondContact O-N 2.97Å; L489-L492 VanDerWaalsContact O-N 3.09Å; L492-L495 HydrophobicContact CD2-CB 4.11Å; L492-L495 HydrophobicContact CD2-CD1 4.33Å; L492-L495 HydrophobicContact CD2-CD2 4.35Å; L492-P510 HydrophobicContact CB-CG 4.05Å; L492-P510 HydrophobicContact CD2-CG 3.84Å; L492-S512 PolarHBondContact N-OG 2.99Å; L492-S512 VanDerWaalsContact N-OG 3.16Å; L492-S512 CarbonylContact O-C 3.36Å; L492-S512 WeakPolarHBondContact O-CB 3.45Å; L492-S512 PolarHBondContact O-OG 3.06Å; L492-L513 HydrophobicContact CD2-CD1 4.21Å; L492-L513 HydrophobicContact CG-CD1 4.27Å; L492-L513 VanDerWaalsContact O-CA 3.29Å; L492-L513 WeakPolarHBondContact O-CA 3.26Å; L492-L513 PolarHBondContact O-N 2.84Å; L492-L513 VanDerWaalsContact O-N 3.14Å
493	S	98.2	Very high	97	Very high	31 Å²	31	47.8 Å²	47.8	22%	0.217	23%	0.228	C	C	.	.			trans	-106	-26.7	178.2	62.8	0	0	0	0	112.9	V467 Q491 L514 E515	V467-S493 VanDerWaalsContact CG1-OG 3.22Å; V467-S493 WeakPolarHBondContact CG1-OG 3.45Å; V467-S493 PolarHBondContact O-N 3.49Å; V467-S493 PolarHBondContact O-OG 3.21Å; Q491-S493 PolarHBondContact O-N 3.33Å; S493-L514 WeakPolarHBondContact O-CA 3.32Å; S493-L514 PolarHBondContact O-N 2.83Å; S493-E515 PolarHBondContact O-N 3.02Å
494	Y	98.7	Very high	97.1	Very high	46 Å²	46	45.6 Å²	45.6	18%	0.18	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	124.5	-177.3	-175.7	-81.5	0	0	0	110.4	V467 I468 L469 E470 R496 E515 Y517	V467-Y494 PolarHBondContact O-N 2.89Å; I468-Y494 HydrophobicContact CG2-CD1 3.94Å; L469-Y494 PolarHBondContact N-O 3.32Å; L469-Y494 VanDerWaalsContact N-O 3.07Å; E470-Y494 HydrophobicContact CG-CD1 4.46Å; E470-Y494 HydrophobicContact CG-CE1 4.06Å; Y494-R496 HydrophobicContact CE1-CB 3.84Å; Y494-E515 HydrophobicContact CD2-CB 4.02Å; Y494-E515 HydrophobicContact CD2-CG 4.5Å; Y494-E515 WeakPolarHBondContact CD2-OE2 3.42Å; Y494-Y517 HydrophobicContact CD2-CD2 4.44Å; Y494-Y517 AromaticContact CD2-CE2 3.87Å; Y494-Y517 HydrophobicContact CD2-CE2 3.87Å; Y494-Y517 HydrophobicContact CE1-CD2 4.41Å; Y494-Y517 AromaticContact CE2-CD2 3.8Å; Y494-Y517 HydrophobicContact CE2-CD2 3.8Å; Y494-Y517 AromaticContact CE2-CE2 3.19Å; Y494-Y517 HydrophobicContact CE2-CE2 3.19Å; Y494-Y517 AromaticContact CE2-CZ 3.96Å; Y494-Y517 AromaticContact CZ-CD2 3.75Å; Y494-Y517 AromaticContact CZ-CE2 3.61Å
495	L	98.7	Very high	97.2	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	121.3	177.3	180	58	0	0	0	111.3	L469 F486 L492 L497 L509 L513 E515 L516 Y517	L469-L495 HydrophobicContact CB-CD1 4.03Å; L469-L495 HydrophobicContact CD2-CD1 3.95Å; L469-L495 HydrophobicContact CG-CD1 3.92Å; L469-L495 WeakPolarHBondContact O-CA 3.24Å; F486-L495 HydrophobicContact CE1-CD1 4.4Å; F486-L495 HydrophobicContact CE1-CD2 4.47Å; L492-L495 HydrophobicContact CD2-CB 4.11Å; L492-L495 HydrophobicContact CD2-CD1 4.33Å; L492-L495 HydrophobicContact CD2-CD2 4.35Å; L495-L497 HydrophobicContact CD1-CD1 4.21Å; L495-L497 HydrophobicContact CD1-CG 4.06Å; L495-L497 HydrophobicContact CD2-CD1 3.73Å; L495-L497 HydrophobicContact CD2-CG 4.44Å; L495-L497 HydrophobicContact CG-CD1 3.86Å; L495-L497 HydrophobicContact CG-CG 4.04Å; L495-L509 HydrophobicContact CD2-CD2 3.47Å; L495-L509 VanDerWaalsContact CD2-CD2 3.47Å; L495-L513 HydrophobicContact CB-CD1 3.6Å; L495-L513 HydrophobicContact CB-CD2 4.32Å; L495-L513 HydrophobicContact CD2-CD2 4.43Å; L495-E515 PolarHBondContact N-O 2.79Å; L495-L516 HydrophobicContact CB-CD1 4.36Å; L495-L516 HydrophobicContact CD2-CD1 4.17Å; L495-L516 HydrophobicContact CG-CD1 4.31Å; L495-Y517 PolarHBondContact O-N 2.78Å
496	R	98.6	Very high	97.1	Very high	44 Å²	44	38.8 Å²	38.8	17%	0.166	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	112.8	179.2	-168.9	172.7	-175.2	66.2	18.6	111.2	L469 E470 L471 E472 Y494 E519	L469-R496 PolarHBondContact O-N 2.67Å; E470-R496 HydrophobicContact CB-CB 4.16Å; E470-R496 HydrophobicContact CG-CB 3.99Å; L471-R496 PolarHBondContact N-O 2.96Å; E472-R496 HydrophobicContact CB-CG 4.34Å; E472-R496 IonicContact OE1-NH2 3.52Å; E472-R496 PolarHBondContact OE1-NH2 3.12Å; E472-R496 IonicContact OE2-CZ 3.69Å; E472-R496 IonicContact OE2-NE 3.47Å; E472-R496 PolarHBondContact OE2-NE 3.02Å; E472-R496 IonicContact OE2-NH2 3.86Å; E472-R496 PolarHBondContact OE2-NH2 3.41Å; Y494-R496 HydrophobicContact CE1-CB 3.84Å; R496-E519 IonicContact CZ-OE1 2.78Å; R496-E519 IonicContact NH1-OE1 3.62Å; R496-E519 PolarHBondContact NH1-OE1 3.27Å; R496-E519 IonicContact NH2-OE1 2.73Å; R496-E519 PolarHBondContact NH2-OE1 2.98Å
497	L	98.3	Very high	96.8	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.206	C	C	.	.			trans	-128.1	21.7	-176.2	-75.6	168.7	0	0	0	111.6	L471 L476 F486 L495 N500 F502 P506 Y517 L518 N521	L471-L497 HydrophobicContact CB-CD2 3.97Å; L471-L497 HydrophobicContact CD1-CD2 3.93Å; L476-L497 HydrophobicContact CD1-CD2 3.85Å; F486-L497 HydrophobicContact CZ-CD1 4.27Å; L495-L497 HydrophobicContact CD1-CD1 4.21Å; L495-L497 HydrophobicContact CD1-CG 4.06Å; L495-L497 HydrophobicContact CD2-CD1 3.73Å; L495-L497 HydrophobicContact CD2-CG 4.44Å; L495-L497 HydrophobicContact CG-CD1 3.86Å; L495-L497 HydrophobicContact CG-CG 4.04Å; L497-N500 PolarHBondContact O-ND2 3.34Å; L497-F502 HydrophobicContact CB-CE2 4.17Å; L497-F502 HydrophobicContact CD1-CE2 4.45Å; L497-F502 HydrophobicContact CD2-CE2 4Å; L497-F502 HydrophobicContact CD2-CZ 4.24Å; L497-F502 HydrophobicContact CG-CE2 4.45Å; L497-P506 HydrophobicContact CD1-CG 4.01Å; L497-Y517 CarbonylContact C-O 3.19Å; L497-Y517 WeakPolarHBondContact CA-O 3.43Å; L497-Y517 PolarHBondContact N-O 3.47Å; L497-L518 HydrophobicContact CB-CD2 3.63Å; L497-L518 HydrophobicContact CD1-CD2 4.25Å; L497-N521 PolarHBondContact O-ND2 3.28Å
498	G	98.1	Very high	96.6	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	19%	0.193	C	C	.	.			trans	-61.9	167.1	177.2	0	0	0	0	0	113.3	E472 G473 N500 Y517 E519	E472-G498 VanDerWaalsContact CA-O 3.25Å; E472-G498 WeakPolarHBondContact CA-O 3.45Å; E472-G498 WeakPolarHBondContact CG-O 3.34Å; G473-G498 PolarHBondContact N-O 3.46Å; G473-G498 VanDerWaalsContact N-O 3.15Å; G498-N500 PolarHBondContact O-N 2.82Å; G498-N500 VanDerWaalsContact O-N 3.07Å; G498-N500 PolarHBondContact O-ND2 3.22Å; G498-Y517 PolarHBondContact N-O 3.06Å; G498-E519 CarbonylContact C-O 3.37Å; G498-E519 WeakPolarHBondContact CA-O 3.32Å
499	R	98.3	Very high	96.6	Very high	112 Å²	112	39.6 Å²	39.6	42%	0.423	19%	0.185	S	C	.	.	S	Bend	trans	46.8	42.8	176.3	-64.7	175.2	53.7	-139.7	-19.5	113.5	E449 E472 G473 N474 E519 N520	E449-R499 VanDerWaalsContact CD-NH1 3.31Å; E449-R499 VanDerWaalsContact CD-NH2 3.3Å; E449-R499 IonicContact OE1-CZ 3.57Å; E449-R499 IonicContact OE1-NH1 3.62Å; E449-R499 PolarHBondContact OE1-NH1 3.45Å; E449-R499 IonicContact OE1-NH2 2.71Å; E449-R499 PolarHBondContact OE1-NH2 2.88Å; E449-R499 VanDerWaalsContact OE1-NH2 3.08Å; E449-R499 IonicContact OE2-CZ 3.92Å; E449-R499 IonicContact OE2-NH1 3.87Å; E449-R499 PolarHBondContact OE2-NH1 2.98Å; E449-R499 IonicContact OE2-NH2 2.57Å; E449-R499 PolarHBondContact OE2-NH2 3.29Å; E472-R499 HydrophobicContact CG-CB 3.95Å; E472-R499 HydrophobicContact CG-CG 4.3Å; E472-R499 WeakPolarHBondContact OE1-CD 3.29Å; G473-R499 VanDerWaalsContact CA-O 3.28Å; G473-R499 WeakPolarHBondContact CA-O 3.18Å; G473-R499 PolarHBondContact N-O 2.82Å; N474-R499 PolarHBondContact N-O 3.06Å; R499-E519 PolarHBondContact N-O 3.38Å; R499-N520 WeakPolarHBondContact CA-O 3.29Å; R499-N520 HydrophobicContact CB-CB 4.44Å; R499-N520 HydrophobicContact CG-CB 3.57Å
500	N	98.5	Very high	96.4	Very high	6 Å²	6	40.1 Å²	40.1	3%	0.032	19%	0.189	C	C	.	.	S	Bend	trans	-115.6	-165.4	174.5	-86.5	-84.6	0	0	0	109.3	L471 N474 L476 L497 G498 F502 N521	L471-N500 PolarHBondContact O-ND2 2.92Å; N474-N500 WeakPolarHBondContact CA-OD1 3.41Å; N474-N500 VanDerWaalsContact CB-OD1 3.22Å; N474-N500 WeakPolarHBondContact CB-OD1 3.38Å; N474-N500 PolarHBondContact O-OD1 3.24Å; N474-N500 VanDerWaalsContact O-OD1 3.09Å; L476-N500 HydrophobicContact CB-CB 4.36Å; L476-N500 WeakPolarHBondContact CB-OD1 3.45Å; L476-N500 VanDerWaalsContact CG-OD1 3.3Å; L476-N500 WeakPolarHBondContact CG-OD1 3.35Å; L476-N500 PolarHBondContact N-OD1 2.9Å; L497-N500 PolarHBondContact O-ND2 3.34Å; G498-N500 PolarHBondContact O-N 2.82Å; G498-N500 VanDerWaalsContact O-N 3.07Å; G498-N500 PolarHBondContact O-ND2 3.22Å; N500-F502 HydrophobicContact CB-CD2 3.78Å; N500-F502 HydrophobicContact CB-CE2 3.85Å; N500-N521 VanDerWaalsContact CA-OD1 3.31Å; N500-N521 WeakPolarHBondContact CA-OD1 3.41Å; N500-N521 VanDerWaalsContact CB-OD1 3.23Å; N500-N521 WeakPolarHBondContact CB-OD1 3.5Å; N500-N521 PolarHBondContact N-OD1 3.14Å; N500-N521 PolarHBondContact O-OD1 2.85Å
501	H	97.8	Very high	96.4	Very high	93 Å²	93	40.7 Å²	40.7	43%	0.431	19%	0.187	S	C	.	.			trans	-116.7	22	-172.6	-61	70.2	0	0	0	112.8	N474 L476 N521	N474-H501 PolarHBondContact O-ND1 2.98Å; L476-H501 CarbonylContact O-C 3.39Å; L476-H501 WeakPolarHBondContact O-CA 3.05Å; L476-H501 WeakPolarHBondContact O-CB 3.24Å; L476-H501 PolarHBondContact O-N 2.87Å; H501-N521 PolarHBondContact N-OD1 3.36Å
502	F	98	Very high	96.3	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.175	C	C	.	.			trans	-66.5	130.3	179.8	-67.9	-74.1	0	0	0	112	L476 V481 L497 N500 P506 L518 N521 L522 I523	L476-F502 HydrophobicContact CB-CE1 4.47Å; L476-F502 HydrophobicContact CB-CE2 3.83Å; L476-F502 HydrophobicContact CB-CZ 3.63Å; V481-F502 HydrophobicContact CB-CE1 4.42Å; V481-F502 HydrophobicContact CG2-CE1 3.96Å; V481-F502 HydrophobicContact CG2-CZ 3.9Å; L497-F502 HydrophobicContact CB-CE2 4.17Å; L497-F502 HydrophobicContact CD1-CE2 4.45Å; L497-F502 HydrophobicContact CD2-CE2 4Å; L497-F502 HydrophobicContact CD2-CZ 4.24Å; L497-F502 HydrophobicContact CG-CE2 4.45Å; N500-F502 HydrophobicContact CB-CD2 3.78Å; N500-F502 HydrophobicContact CB-CE2 3.85Å; F502-P506 HydrophobicContact CD1-CB 4.39Å; F502-P506 HydrophobicContact CE1-CB 3.98Å; F502-P506 HydrophobicContact CE1-CG 4.27Å; F502-P506 HydrophobicContact CZ-CG 4.49Å; F502-L518 HydrophobicContact CD2-CD2 4.35Å; F502-N521 HydrophobicContact CB-CB 4.45Å; F502-N521 WeakPolarHBondContact CD2-OD1 3.32Å; F502-N521 PolarHBondContact N-OD1 3.13Å; F502-N521 VanDerWaalsContact N-OD1 3.15Å; F502-L522 CarbonylContact O-C 3.36Å; F502-L522 VanDerWaalsContact O-CA 3.29Å; F502-L522 WeakPolarHBondContact O-CA 3.37Å; F502-L522 WeakPolarHBondContact O-CB 3.47Å; F502-L522 PolarHBondContact O-N 2.66Å; F502-I523 HydrophobicContact CB-CG1 4.32Å; F502-I523 WeakPolarHBondContact O-CG1 3.34Å; F502-I523 PolarHBondContact O-N 2.83Å
503	R	96.4	Very high	96.2	Very high	136 Å²	136	37.3 Å²	37.3	51%	0.513	18%	0.175	S	C	.	.	S	Bend	trans	-98.1	-17.6	172.2	-59.4	-178.2	178.4	-141.4	0.8	114	E478 L522 I523 E524	E478-R503 WeakPolarHBondContact OE1-CD 3.48Å; E478-R503 PolarHBondContact OE2-N 2.8Å; R503-L522 WeakPolarHBondContact CA-O 3.35Å; R503-L522 HydrophobicContact CG-CB 4.34Å; R503-I523 WeakPolarHBondContact O-CA 3.29Å; R503-E524 PolarHBondContact O-N 2.85Å
504	T	96.1	Very high	96.2	Very high	39 Å²	39	39.4 Å²	39.4	24%	0.239	18%	0.183	C	C	.	.	B	Isolated β-bridge	trans	-136.5	155.6	173.1	52.5	0	0	0	0	108.5	E525	T504-E525 HydrophobicContact CG2-CG 3.84Å
505	V	95.6	Very high	96.2	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.012	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-60.2	131	172.8	176.7	0	0	0	0	108.9	Q507 L509 L518 I523 V530 F531 L542	V505-Q507 PolarHBondContact O-NE2 3.39Å; V505-L509 HydrophobicContact CG1-CD1 4.06Å; V505-L518 HydrophobicContact CB-CD1 4.45Å; V505-L518 HydrophobicContact CG1-CD1 4Å; V505-L518 HydrophobicContact CG2-CD1 4.07Å; V505-I523 HydrophobicContact CG2-CD1 4.2Å; V505-I523 HydrophobicContact CG2-CG2 4.42Å; V505-V530 HydrophobicContact CB-CG1 4.3Å; V505-V530 HydrophobicContact CB-CG2 3.65Å; V505-V530 HydrophobicContact CG1-CG2 3.57Å; V505-V530 WeakPolarHBondContact O-CG2 3.4Å; V505-F531 HydrophobicContact CB-CZ 4.43Å; V505-F531 HydrophobicContact CG1-CE1 3.7Å; V505-F531 HydrophobicContact CG1-CZ 3.86Å; V505-F531 HydrophobicContact CG2-CZ 4Å; V505-L542 HydrophobicContact CG2-CD2 4.25Å
506	P	93.6	Very high	96.1	Very high	5 Å²	5	40.3 Å²	40.3	3%	0.032	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-62.7	144.5	-175.5	22.9	-33.2	0	0	0	112.5	L497 F502 L509	L497-P506 HydrophobicContact CD1-CG 4.01Å; F502-P506 HydrophobicContact CD1-CB 4.39Å; F502-P506 HydrophobicContact CE1-CB 3.98Å; F502-P506 HydrophobicContact CE1-CG 4.27Å; F502-P506 HydrophobicContact CZ-CG 4.49Å; P506-L509 HydrophobicContact CG-CD2 4.27Å
507	Q	90.5	Very high	96.1	Very high	81 Å²	81	40.2 Å²	40.2	38%	0.379	19%	0.189	S	C	.	.	S	Bend	trans	-83.6	152.1	-179	-58.5	-62.8	-58.1	0	0	111.5	P483 V505	P483-Q507 HydrophobicContact CB-CB 4.19Å; V505-Q507 PolarHBondContact O-NE2 3.39Å
508	G	89.5	Confident	96.1	Very high	20 Å²	20	40.2 Å²	40.2	21%	0.206	19%	0.189	C	C	.	.			trans	79.9	21.6	174.3	0	0	0	0	0	115.3	P483	P483-G508 WeakPolarHBondContact O-CA 3.4Å
509	L	94.7	Very high	96.1	Very high	3 Å²	3	41.1 Å²	41.1	2%	0.016	19%	0.193	C	C	.	.			trans	-58.8	139	173	-68.5	175.1	0	0	0	111.5	F486 L495 V505 P506 L516 T534	F486-L509 HydrophobicContact CD2-CD2 4.18Å; F486-L509 HydrophobicContact CE2-CD2 4.36Å; L495-L509 HydrophobicContact CD2-CD2 3.47Å; L495-L509 VanDerWaalsContact CD2-CD2 3.47Å; V505-L509 HydrophobicContact CG1-CD1 4.06Å; P506-L509 HydrophobicContact CG-CD2 4.27Å; L509-L516 HydrophobicContact CD1-CD1 4.36Å; L509-L516 HydrophobicContact CD1-CD2 3.78Å; L509-T534 HydrophobicContact CB-CG2 3.41Å; L509-T534 VanDerWaalsContact CB-CG2 3.41Å; L509-T534 HydrophobicContact CD1-CG2 4.47Å
510	P	93.9	Very high	96.1	Very high	11 Å²	11	39 Å²	39	7%	0.071	19%	0.19	C	C	.	.			trans	-75.4	144.8	-169.1	29.4	-33.8	0	0	0	112.2	L492 S512 L513	L492-P510 HydrophobicContact CB-CG 4.05Å; L492-P510 HydrophobicContact CD2-CG 3.84Å; P510-S512 PolarHBondContact O-N 2.83Å; P510-S512 VanDerWaalsContact O-N 3.13Å; P510-L513 HydrophobicContact CG-CB 4.5Å; P510-L513 VanDerWaalsContact O-CB 3.24Å; P510-L513 WeakPolarHBondContact O-CB 3.35Å; P510-L513 PolarHBondContact O-N 3.21Å; P510-L513 VanDerWaalsContact O-N 3.08Å
511	K	94	Very high	96.1	Very high	127 Å²	127	39 Å²	39	55%	0.552	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-22.1	-178.1	-178.6	164.8	-173.1	173.4	0	114.2	L513 Q533 T535 N536	K511-L513 PolarHBondContact O-N 3.12Å; K511-Q533 WeakPolarHBondContact CA-O 3.42Å; K511-Q533 WeakPolarHBondContact CB-O 3.2Å; K511-Q533 WeakPolarHBondContact CG-O 3.09Å; K511-T535 VanDerWaalsContact CE-OG1 3.22Å; K511-T535 WeakPolarHBondContact CE-OG1 3.28Å; K511-N536 PolarHBondContact O-ND2 3.27Å
512	S	96	Very high	96.1	Very high	28 Å²	28	37.4 Å²	37.4	20%	0.196	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-17.2	176	48.8	0	0	0	0	113.9	L489 I490 L492 P510 L514	L489-S512 PolarHBondContact O-OG 3.1Å; I490-S512 WeakPolarHBondContact O-CB 3.32Å; L492-S512 PolarHBondContact N-OG 2.99Å; L492-S512 VanDerWaalsContact N-OG 3.16Å; L492-S512 CarbonylContact O-C 3.36Å; L492-S512 WeakPolarHBondContact O-CB 3.45Å; L492-S512 PolarHBondContact O-OG 3.06Å; P510-S512 PolarHBondContact O-N 2.83Å; P510-S512 VanDerWaalsContact O-N 3.13Å; S512-L514 PolarHBondContact O-N 3.02Å
513	L	97.1	Very high	96.1	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.184	C	C	.	.			trans	-64.1	131.6	-169.1	-163	67.4	0	0	0	112.4	L492 L495 P510 K511 E515 L516 N536 L537	L492-L513 HydrophobicContact CD2-CD1 4.21Å; L492-L513 HydrophobicContact CG-CD1 4.27Å; L492-L513 VanDerWaalsContact O-CA 3.29Å; L492-L513 WeakPolarHBondContact O-CA 3.26Å; L492-L513 PolarHBondContact O-N 2.84Å; L492-L513 VanDerWaalsContact O-N 3.14Å; L495-L513 HydrophobicContact CB-CD1 3.6Å; L495-L513 HydrophobicContact CB-CD2 4.32Å; L495-L513 HydrophobicContact CD2-CD2 4.43Å; P510-L513 HydrophobicContact CG-CB 4.5Å; P510-L513 VanDerWaalsContact O-CB 3.24Å; P510-L513 WeakPolarHBondContact O-CB 3.35Å; P510-L513 PolarHBondContact O-N 3.21Å; P510-L513 VanDerWaalsContact O-N 3.08Å; K511-L513 PolarHBondContact O-N 3.12Å; L513-E515 WeakPolarHBondContact CD1-O 3.36Å; L513-L516 HydrophobicContact CD2-CB 4.08Å; L513-L516 HydrophobicContact CD2-CD1 4.15Å; L513-N536 CarbonylContact O-C 3.12Å; L513-L537 HydrophobicContact CB-CD2 4.34Å; L513-L537 HydrophobicContact CD2-CD2 4.07Å; L513-L537 HydrophobicContact CG-CD2 3.97Å; L513-L537 PolarHBondContact O-N 3.44Å
514	L	97.4	Very high	96.1	Very high	74 Å²	74	33.8 Å²	33.8	39%	0.387	17%	0.173	S	C	.	.			trans	-111.6	-39.6	178.9	-54.6	-176.9	0	0	0	111	S493 S512 N536 N538 M539	S493-L514 WeakPolarHBondContact O-CA 3.32Å; S493-L514 PolarHBondContact O-N 2.83Å; S512-L514 PolarHBondContact O-N 3.02Å; L514-N536 HydrophobicContact CD2-CB 3.95Å; L514-N536 WeakPolarHBondContact CD2-O 3.31Å; L514-N538 PolarHBondContact O-N 2.95Å; L514-M539 PolarHBondContact O-N 2.95Å; L514-M539 VanDerWaalsContact O-N 3.09Å
515	E	98.3	Very high	96	Very high	66 Å²	66	36.2 Å²	36.2	31%	0.308	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	130.4	-178.2	-51.6	-175.5	-150.3	0	0	111.1	S493 Y494 L495 L513 Y517 M539	S493-E515 PolarHBondContact O-N 3.02Å; Y494-E515 HydrophobicContact CD2-CB 4.02Å; Y494-E515 HydrophobicContact CD2-CG 4.5Å; Y494-E515 WeakPolarHBondContact CD2-OE2 3.42Å; L495-E515 PolarHBondContact N-O 2.79Å; L513-E515 WeakPolarHBondContact CD1-O 3.36Å; E515-Y517 HydrophobicContact CB-CD2 4.45Å; E515-Y517 HydrophobicContact CB-CE2 3.7Å; E515-Y517 WeakPolarHBondContact OE2-CE2 3.42Å; E515-Y517 PolarHBondContact OE2-OH 3.25Å; E515-M539 WeakPolarHBondContact CA-O 3.31Å; E515-M539 HydrophobicContact CB-CB 4.45Å; E515-M539 HydrophobicContact CG-CB 4.2Å
516	L	98.4	Very high	96	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	120.8	-179.6	176.4	63.2	0	0	0	110.6	L495 L509 L513 L518 F531 L537 M539 V540 S541	L495-L516 HydrophobicContact CB-CD1 4.36Å; L495-L516 HydrophobicContact CD2-CD1 4.17Å; L495-L516 HydrophobicContact CG-CD1 4.31Å; L509-L516 HydrophobicContact CD1-CD1 4.36Å; L509-L516 HydrophobicContact CD1-CD2 3.78Å; L513-L516 HydrophobicContact CD2-CB 4.08Å; L513-L516 HydrophobicContact CD2-CD1 4.15Å; L516-L518 HydrophobicContact CD1-CD1 4.09Å; L516-L518 HydrophobicContact CD1-CG 4.09Å; L516-L518 HydrophobicContact CD2-CD1 3.77Å; L516-L518 HydrophobicContact CG-CD1 3.87Å; L516-L518 HydrophobicContact CG-CG 4.14Å; L516-F531 HydrophobicContact CD2-CE1 3.75Å; L516-F531 HydrophobicContact CD2-CZ 4.47Å; L516-L537 HydrophobicContact CB-CD2 4Å; L516-M539 PolarHBondContact N-O 3.09Å; L516-V540 WeakPolarHBondContact O-CA 3.32Å; L516-S541 PolarHBondContact O-N 3.45Å
517	Y	98.7	Very high	95.9	Very high	42 Å²	42	37.8 Å²	37.8	17%	0.165	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	112.2	-178.8	-66.2	-92.6	0	0	0	110.5	Y494 L495 L497 G498 E515 E519	Y494-Y517 HydrophobicContact CD2-CD2 4.44Å; Y494-Y517 AromaticContact CD2-CE2 3.87Å; Y494-Y517 HydrophobicContact CD2-CE2 3.87Å; Y494-Y517 HydrophobicContact CE1-CD2 4.41Å; Y494-Y517 AromaticContact CE2-CD2 3.8Å; Y494-Y517 HydrophobicContact CE2-CD2 3.8Å; Y494-Y517 AromaticContact CE2-CE2 3.19Å; Y494-Y517 HydrophobicContact CE2-CE2 3.19Å; Y494-Y517 AromaticContact CE2-CZ 3.96Å; Y494-Y517 AromaticContact CZ-CD2 3.75Å; Y494-Y517 AromaticContact CZ-CE2 3.61Å; L495-Y517 PolarHBondContact O-N 2.78Å; L497-Y517 CarbonylContact C-O 3.19Å; L497-Y517 WeakPolarHBondContact CA-O 3.43Å; L497-Y517 PolarHBondContact N-O 3.47Å; G498-Y517 PolarHBondContact N-O 3.06Å; E515-Y517 HydrophobicContact CB-CD2 4.45Å; E515-Y517 HydrophobicContact CB-CE2 3.7Å; E515-Y517 WeakPolarHBondContact OE2-CE2 3.42Å; E515-Y517 PolarHBondContact OE2-OH 3.25Å; Y517-E519 WeakPolarHBondContact CA-OE2 3.34Å; Y517-E519 VanDerWaalsContact CB-OE2 3.32Å; Y517-E519 WeakPolarHBondContact CB-OE2 3.4Å
518	L	98.3	Very high	95.7	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.196	C	C	.	.			trans	-125	21.7	-177.4	-74.9	165.3	0	0	0	112.1	L497 F502 V505 L516 N521 I523 S541 L542 N545	L497-L518 HydrophobicContact CB-CD2 3.63Å; L497-L518 HydrophobicContact CD1-CD2 4.25Å; F502-L518 HydrophobicContact CD2-CD2 4.35Å; V505-L518 HydrophobicContact CB-CD1 4.45Å; V505-L518 HydrophobicContact CG1-CD1 4Å; V505-L518 HydrophobicContact CG2-CD1 4.07Å; L516-L518 HydrophobicContact CD1-CD1 4.09Å; L516-L518 HydrophobicContact CD1-CG 4.09Å; L516-L518 HydrophobicContact CD2-CD1 3.77Å; L516-L518 HydrophobicContact CG-CD1 3.87Å; L516-L518 HydrophobicContact CG-CG 4.14Å; L518-N521 PolarHBondContact O-ND2 3.48Å; L518-I523 HydrophobicContact CB-CD1 3.94Å; L518-I523 HydrophobicContact CD1-CD1 4.06Å; L518-I523 HydrophobicContact CD2-CD1 4.39Å; L518-I523 HydrophobicContact CG-CD1 4.37Å; L518-S541 WeakPolarHBondContact CB-O 3.11Å; L518-S541 PolarHBondContact N-O 3.12Å; L518-L542 HydrophobicContact CB-CD2 4.07Å; L518-L542 HydrophobicContact CD1-CD2 4.14Å; L518-N545 PolarHBondContact O-ND2 3.08Å
519	E	97.9	Very high	95.4	Very high	18 Å²	18	41.6 Å²	41.6	8%	0.084	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	152.2	-177.8	55.8	-91.1	-156.7	0	0	114.4	R496 G498 R499 Y517 N521 S541 R543	R496-E519 IonicContact CZ-OE1 2.78Å; R496-E519 IonicContact NH1-OE1 3.62Å; R496-E519 PolarHBondContact NH1-OE1 3.27Å; R496-E519 IonicContact NH2-OE1 2.73Å; R496-E519 PolarHBondContact NH2-OE1 2.98Å; G498-E519 CarbonylContact C-O 3.37Å; G498-E519 WeakPolarHBondContact CA-O 3.32Å; R499-E519 PolarHBondContact N-O 3.38Å; Y517-E519 WeakPolarHBondContact CA-OE2 3.34Å; Y517-E519 VanDerWaalsContact CB-OE2 3.32Å; Y517-E519 WeakPolarHBondContact CB-OE2 3.4Å; E519-N521 VanDerWaalsContact C-N 3.31Å; E519-N521 PolarHBondContact O-N 2.85Å; E519-N521 PolarHBondContact O-ND2 3.11Å; E519-S541 WeakPolarHBondContact OE2-CB 3.4Å; E519-S541 PolarHBondContact OE2-OG 3.38Å; E519-R543 CarbonylContact C-O 3.52Å; E519-R543 WeakPolarHBondContact CA-O 3.43Å; E519-R543 HydrophobicContact CB-CB 4.02Å; E519-R543 WeakPolarHBondContact CB-O 3.08Å
520	N	98.1	Very high	95.1	Very high	67 Å²	67	41.9 Å²	41.9	36%	0.358	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	40.1	178.7	-49.8	-72.1	0	0	0	113.3	R499 R543 H544	R499-N520 WeakPolarHBondContact CA-O 3.29Å; R499-N520 HydrophobicContact CB-CB 4.44Å; R499-N520 HydrophobicContact CG-CB 3.57Å; N520-R543 PolarHBondContact N-O 3.06Å; N520-H544 WeakPolarHBondContact CA-O 3.49Å; N520-H544 HydrophobicContact CB-CB 4.43Å; N520-H544 PolarHBondContact N-O 2.92Å; N520-H544 VanDerWaalsContact OD1-CB 3.25Å; N520-H544 WeakPolarHBondContact OD1-CB 3.4Å; N520-H544 PolarHBondContact OD1-ND1 2.92Å
521	N	98.5	Very high	94.9	Very high	8 Å²	8	41.4 Å²	41.4	4%	0.043	21%	0.21	C	C	.	.	S	Bend	trans	-104.8	-163.5	172	-86.6	-83.8	0	0	0	109.9	L497 N500 H501 F502 L518 E519 I523 H544 N545	L497-N521 PolarHBondContact O-ND2 3.28Å; N500-N521 VanDerWaalsContact CA-OD1 3.31Å; N500-N521 WeakPolarHBondContact CA-OD1 3.41Å; N500-N521 VanDerWaalsContact CB-OD1 3.23Å; N500-N521 WeakPolarHBondContact CB-OD1 3.5Å; N500-N521 PolarHBondContact N-OD1 3.14Å; N500-N521 PolarHBondContact O-OD1 2.85Å; H501-N521 PolarHBondContact N-OD1 3.36Å; F502-N521 HydrophobicContact CB-CB 4.45Å; F502-N521 WeakPolarHBondContact CD2-OD1 3.32Å; F502-N521 PolarHBondContact N-OD1 3.13Å; F502-N521 VanDerWaalsContact N-OD1 3.15Å; L518-N521 PolarHBondContact O-ND2 3.48Å; E519-N521 VanDerWaalsContact C-N 3.31Å; E519-N521 PolarHBondContact O-N 2.85Å; E519-N521 PolarHBondContact O-ND2 3.11Å; N521-I523 HydrophobicContact CB-CD1 4.3Å; N521-I523 HydrophobicContact CB-CG1 4.08Å; N521-H544 PolarHBondContact N-O 2.93Å; N521-N545 VanDerWaalsContact CA-OD1 3.31Å; N521-N545 WeakPolarHBondContact CA-OD1 3.32Å; N521-N545 WeakPolarHBondContact CB-OD1 3.48Å; N521-N545 PolarHBondContact N-OD1 2.96Å; N521-N545 PolarHBondContact O-OD1 3.11Å
522	L	97.8	Very high	94.5	Very high	58 Å²	58	38.6 Å²	38.6	30%	0.304	20%	0.201	S	C	.	.			trans	-116.3	25.8	179.3	-57.9	175	0	0	0	111.3	F502 R503 E524 N545	F502-L522 CarbonylContact O-C 3.36Å; F502-L522 VanDerWaalsContact O-CA 3.29Å; F502-L522 WeakPolarHBondContact O-CA 3.37Å; F502-L522 WeakPolarHBondContact O-CB 3.47Å; F502-L522 PolarHBondContact O-N 2.66Å; R503-L522 WeakPolarHBondContact CA-O 3.35Å; R503-L522 HydrophobicContact CG-CB 4.34Å; L522-E524 PolarHBondContact O-N 3.02Å; L522-N545 PolarHBondContact N-OD1 2.78Å
523	I	98.1	Very high	94.1	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.22	C	C	.	.			trans	-66.5	119.1	-169.4	-60.6	170.8	0	0	0	109.9	F502 R503 V505 L518 N521 L542 N545 K546 L547	F502-I523 HydrophobicContact CB-CG1 4.32Å; F502-I523 WeakPolarHBondContact O-CG1 3.34Å; F502-I523 PolarHBondContact O-N 2.83Å; R503-I523 WeakPolarHBondContact O-CA 3.29Å; V505-I523 HydrophobicContact CG2-CD1 4.2Å; V505-I523 HydrophobicContact CG2-CG2 4.42Å; L518-I523 HydrophobicContact CB-CD1 3.94Å; L518-I523 HydrophobicContact CD1-CD1 4.06Å; L518-I523 HydrophobicContact CD2-CD1 4.39Å; L518-I523 HydrophobicContact CG-CD1 4.37Å; N521-I523 HydrophobicContact CB-CD1 4.3Å; N521-I523 HydrophobicContact CB-CG1 4.08Å; I523-L542 HydrophobicContact CD1-CD2 3.74Å; I523-N545 HydrophobicContact CB-CB 4.14Å; I523-N545 VanDerWaalsContact CB-OD1 3.28Å; I523-N545 WeakPolarHBondContact CB-OD1 3.45Å; I523-N545 WeakPolarHBondContact CG1-OD1 3.48Å; I523-N545 PolarHBondContact N-OD1 3.25Å; I523-K546 CarbonylContact O-C 3.59Å; I523-K546 WeakPolarHBondContact O-CA 3.46Å; I523-K546 PolarHBondContact O-N 2.82Å; I523-L547 HydrophobicContact CG2-CD2 4.07Å; I523-L547 PolarHBondContact O-N 3.03Å
524	E	95.6	Very high	93.9	Very high	61 Å²	61	43.3 Å²	43.3	29%	0.285	22%	0.22	S	C	.	.			trans	-102.3	-25.4	-177	-76.7	164.1	-160.3	0	0	111.7	R503 L522 K546 R551	R503-E524 PolarHBondContact O-N 2.85Å; L522-E524 PolarHBondContact O-N 3.02Å; E524-K546 HydrophobicContact CG-CB 3.85Å; E524-K546 HydrophobicContact CG-CD 3.83Å; E524-K546 HydrophobicContact CG-CG 4.47Å; E524-K546 WeakPolarHBondContact OE1-CD 3.41Å; E524-K546 IonicContact OE1-NZ 3.25Å; E524-K546 PolarHBondContact OE1-NZ 2.96Å; E524-R551 WeakPolarHBondContact O-CB 3.41Å; E524-R551 WeakPolarHBondContact O-CD 3.4Å
525	E	94.6	Very high	93.6	Very high	89 Å²	89	41.5 Å²	41.5	42%	0.416	21%	0.212	S	C	.	.	B	Isolated β-bridge	trans	-144.9	157.4	-178.9	63.8	175	-138.2	0	0	115.4	T504 R551	T504-E525 HydrophobicContact CG2-CG 3.84Å; E525-R551 HydrophobicContact CB-CB 4.08Å
526	I	94.5	Very high	93.3	Very high	2 Å²	2	41.1 Å²	41.1	1%	0.01	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-122.6	105	170.5	-47.3	-177.5	0	0	0	108.9	V530 F531 L542 L547 R551 I552 A553 A556 W557	I526-V530 HydrophobicContact CG2-CG1 4.08Å; I526-F531 HydrophobicContact CG2-CD2 4.11Å; I526-F531 HydrophobicContact CG2-CE2 3.65Å; I526-L542 HydrophobicContact CD1-CD1 3.74Å; I526-L547 HydrophobicContact CD1-CD1 4.08Å; I526-L547 HydrophobicContact CD1-CD2 4.32Å; I526-L547 HydrophobicContact CG1-CD1 4.39Å; I526-L547 HydrophobicContact CG1-CD2 3.78Å; I526-R551 PolarHBondContact N-O 2.78Å; I526-I552 HydrophobicContact CD1-CD1 4.47Å; I526-I552 HydrophobicContact CD1-CG1 4.16Å; I526-A553 WeakPolarHBondContact O-CB 3.44Å; I526-A553 PolarHBondContact O-N 3.32Å; I526-A556 HydrophobicContact CG2-CB 3.89Å; I526-W557 HydrophobicContact CD1-CZ2 3.8Å; I526-W557 HydrophobicContact CG2-CZ2 4.46Å
527	S	91.2	Very high	93.2	Very high	39 Å²	39	41.1 Å²	41.1	27%	0.273	21%	0.212	S	C	.	.			trans	-83.9	158.4	-177.5	61.2	0	0	0	0	113.4	T529 V530	S527-T529 PolarHBondContact O-N 2.97Å; S527-V530 PolarHBondContact O-N 3.46Å
528	E	86.4	Confident	93.1	Very high	94 Å²	94	41.1 Å²	41.1	44%	0.439	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-24.3	-175.8	-59.3	-177.3	175.4	0	0	114.6	N532 A553 M555	E528-N532 PolarHBondContact O-ND2 3.1Å; E528-A553 HydrophobicContact CB-CB 4.47Å; E528-A553 HydrophobicContact CG-CB 3.54Å; E528-M555 HydrophobicContact CB-CB 4.45Å; E528-M555 HydrophobicContact CG-CB 4.28Å; E528-M555 HydrophobicContact CG-CE 4.3Å; E528-M555 WeakPolarHBondContact OE1-CE 3.48Å
529	T	84.9	Confident	93.1	Very high	87 Å²	87	42.8 Å²	42.8	53%	0.534	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-20.5	-170.5	50.6	0	0	0	0	114.6	S527 F531 N532	S527-T529 PolarHBondContact O-N 2.97Å; T529-F531 PolarHBondContact O-N 3.12Å; T529-N532 WeakPolarHBondContact O-CB 3.35Å; T529-N532 PolarHBondContact O-N 2.76Å
530	V	88.3	Confident	93	Very high	9 Å²	9	42 Å²	42	6%	0.055	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-38.6	-162.7	67.1	0	0	0	0	113.8	V505 I526 S527	V505-V530 HydrophobicContact CB-CG1 4.3Å; V505-V530 HydrophobicContact CB-CG2 3.65Å; V505-V530 HydrophobicContact CG1-CG2 3.57Å; V505-V530 WeakPolarHBondContact O-CG2 3.4Å; I526-V530 HydrophobicContact CG2-CG1 4.08Å; S527-V530 PolarHBondContact O-N 3.46Å
531	F	89.9	Confident	93.1	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	5.4	179.6	-61.1	-60.3	0	0	0	114.1	V505 L516 I526 T529 Q533 T534 L537 W557 H560	V505-F531 HydrophobicContact CB-CZ 4.43Å; V505-F531 HydrophobicContact CG1-CE1 3.7Å; V505-F531 HydrophobicContact CG1-CZ 3.86Å; V505-F531 HydrophobicContact CG2-CZ 4Å; L516-F531 HydrophobicContact CD2-CE1 3.75Å; L516-F531 HydrophobicContact CD2-CZ 4.47Å; I526-F531 HydrophobicContact CG2-CD2 4.11Å; I526-F531 HydrophobicContact CG2-CE2 3.65Å; T529-F531 PolarHBondContact O-N 3.12Å; F531-Q533 PolarHBondContact O-N 2.58Å; F531-T534 VanDerWaalsContact CA-OG1 3.31Å; F531-T534 WeakPolarHBondContact CA-OG1 3.46Å; F531-T534 PolarHBondContact O-N 3.1Å; F531-T534 VanDerWaalsContact O-N 3.1Å; F531-T534 PolarHBondContact O-OG1 3.44Å; F531-L537 HydrophobicContact CD1-CD1 3.82Å; F531-L537 HydrophobicContact CE1-CD1 4.18Å; F531-W557 AromaticContact CD2-CE3 3.93Å; F531-W557 HydrophobicContact CD2-CE3 3.93Å; F531-W557 AromaticContact CD2-CH2 3.82Å; F531-W557 HydrophobicContact CD2-CH2 3.82Å; F531-W557 HydrophobicContact CD2-CZ2 4.43Å; F531-W557 AromaticContact CD2-CZ3 3.5Å; F531-W557 HydrophobicContact CD2-CZ3 3.5Å; F531-W557 HydrophobicContact CE2-CE3 4.23Å; F531-W557 AromaticContact CE2-CH2 3.24Å; F531-W557 HydrophobicContact CE2-CH2 3.24Å; F531-W557 AromaticContact CE2-CZ2 3.88Å; F531-W557 HydrophobicContact CE2-CZ2 3.88Å; F531-W557 AromaticContact CE2-CZ3 3.43Å; F531-W557 HydrophobicContact CE2-CZ3 3.43Å; F531-W557 VanDerWaalsContact CE2-CZ3 3.43Å; F531-W557 HydrophobicContact CG-CZ3 4.21Å; F531-W557 AromaticContact CZ-CH2 3.83Å; F531-W557 HydrophobicContact CZ-CH2 3.83Å; F531-W557 HydrophobicContact CZ-CZ3 4.07Å; F531-H560 WeakPolarHBondContact CB-CE1 3.4Å; F531-H560 PolarHBondContact O-CE1 2.94Å; F531-H560 PolarHBondContact O-NE2 2.93Å; F531-H560 VanDerWaalsContact O-NE2 3.16Å
532	N	85.6	Confident	93	Very high	68 Å²	68	38.6 Å²	38.6	36%	0.364	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-15.1	-174.4	-88.7	-31.2	0	0	0	115	E528 T529 N559	E528-N532 PolarHBondContact O-ND2 3.1Å; T529-N532 WeakPolarHBondContact O-CB 3.35Å; T529-N532 PolarHBondContact O-N 2.76Å; N532-N559 PolarHBondContact OD1-ND2 2.83Å
533	Q	86.5	Confident	93	Very high	127 Å²	127	40.6 Å²	40.6	59%	0.593	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.6	-26	176.2	-59.8	-173.4	7.4	0	0	112.8	K511 F531 T535	K511-Q533 WeakPolarHBondContact CA-O 3.42Å; K511-Q533 WeakPolarHBondContact CB-O 3.2Å; K511-Q533 WeakPolarHBondContact CG-O 3.09Å; F531-Q533 PolarHBondContact O-N 2.58Å; Q533-T535 VanDerWaalsContact C-N 3.28Å; Q533-T535 PolarHBondContact O-N 3.43Å; Q533-T535 VanDerWaalsContact O-N 3.13Å
534	T	92.8	Very high	93	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.006	22%	0.221	C	C	.	.			trans	-89.1	42.9	-172	50.8	0	0	0	0	113	L509 F531 N536 L537 H560	L509-T534 HydrophobicContact CB-CG2 3.41Å; L509-T534 VanDerWaalsContact CB-CG2 3.41Å; L509-T534 HydrophobicContact CD1-CG2 4.47Å; F531-T534 VanDerWaalsContact CA-OG1 3.31Å; F531-T534 WeakPolarHBondContact CA-OG1 3.46Å; F531-T534 PolarHBondContact O-N 3.1Å; F531-T534 VanDerWaalsContact O-N 3.1Å; F531-T534 PolarHBondContact O-OG1 3.44Å; T534-N536 PolarHBondContact O-N 2.9Å; T534-L537 HydrophobicContact CG2-CD1 4.5Å; T534-L537 WeakPolarHBondContact O-CG 3.22Å; T534-L537 PolarHBondContact O-N 3.34Å; T534-L537 VanDerWaalsContact O-N 3.12Å; T534-L537 WeakPolarHBondContact OG1-CD1 3.39Å; T534-H560 PolarHBondContact O-NE2 2.92Å
535	T	90.5	Very high	93.2	Very high	36 Å²	36	41.5 Å²	41.5	22%	0.221	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-5	-169.9	67	0	0	0	0	115.7	K511 Q533	K511-T535 VanDerWaalsContact CE-OG1 3.22Å; K511-T535 WeakPolarHBondContact CE-OG1 3.28Å; Q533-T535 VanDerWaalsContact C-N 3.28Å; Q533-T535 PolarHBondContact O-N 3.43Å; Q533-T535 VanDerWaalsContact O-N 3.13Å
536	N	93.9	Very high	93.3	Very high	57 Å²	57	41 Å²	41	31%	0.305	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101	-3.8	-177.7	-64.2	-14.8	0	0	0	113.4	K511 L513 L514 T534 N538	K511-N536 PolarHBondContact O-ND2 3.27Å; L513-N536 CarbonylContact O-C 3.12Å; L514-N536 HydrophobicContact CD2-CB 3.95Å; L514-N536 WeakPolarHBondContact CD2-O 3.31Å; T534-N536 PolarHBondContact O-N 2.9Å; N536-N538 PolarHBondContact O-N 3.43Å
537	L	95.9	Very high	93.3	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.206	C	C	.	.			trans	-52.6	136.8	179.3	-77.6	169.5	0	0	0	112	L513 L516 F531 T534 V540 N562 L563	L513-L537 HydrophobicContact CB-CD2 4.34Å; L513-L537 HydrophobicContact CD2-CD2 4.07Å; L513-L537 HydrophobicContact CG-CD2 3.97Å; L513-L537 PolarHBondContact O-N 3.44Å; L516-L537 HydrophobicContact CB-CD2 4Å; F531-L537 HydrophobicContact CD1-CD1 3.82Å; F531-L537 HydrophobicContact CE1-CD1 4.18Å; T534-L537 HydrophobicContact CG2-CD1 4.5Å; T534-L537 WeakPolarHBondContact O-CG 3.22Å; T534-L537 PolarHBondContact O-N 3.34Å; T534-L537 VanDerWaalsContact O-N 3.12Å; T534-L537 WeakPolarHBondContact OG1-CD1 3.39Å; L537-V540 HydrophobicContact CD1-CG2 4.01Å; L537-V540 HydrophobicContact CD2-CG2 4.29Å; L537-N562 CarbonylContact O-C 3.59Å; L537-N562 VanDerWaalsContact O-C 3.3Å; L537-L563 VanDerWaalsContact O-CA 3.28Å; L537-L563 WeakPolarHBondContact O-CA 3.33Å; L537-L563 PolarHBondContact O-N 2.88Å
538	N	96.2	Very high	93.4	Very high	43 Å²	43	40.4 Å²	40.4	23%	0.23	20%	0.2	C	C	.	.			trans	-119.7	-37.1	-179.7	-179.3	-105.4	0	0	0	112	L514 N536 N562 L563 E564 S565	L514-N538 PolarHBondContact O-N 2.95Å; N536-N538 PolarHBondContact O-N 3.43Å; N538-N562 WeakPolarHBondContact CA-O 3.3Å; N538-N562 PolarHBondContact ND2-O 3.1Å; N538-L563 WeakPolarHBondContact O-CD1 3.39Å; N538-E564 PolarHBondContact ND2-OE2 3.16Å; N538-E564 PolarHBondContact O-N 3.22Å; N538-S565 PolarHBondContact O-N 2.73Å
539	M	97.3	Very high	93.5	Very high	35 Å²	35	37.1 Å²	37.1	17%	0.172	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	132.5	178	174.3	53.8	171.3	0	0	111	L514 E515 L516 S565 D567	L514-M539 PolarHBondContact O-N 2.95Å; L514-M539 VanDerWaalsContact O-N 3.09Å; E515-M539 WeakPolarHBondContact CA-O 3.31Å; E515-M539 HydrophobicContact CB-CB 4.45Å; E515-M539 HydrophobicContact CG-CB 4.2Å; L516-M539 PolarHBondContact N-O 3.09Å; M539-S565 WeakPolarHBondContact CA-O 3.28Å; M539-S565 VanDerWaalsContact SD-CB 3.53Å; M539-S565 PolarHBondContact SD-OG 3.13Å; M539-D567 HydrophobicContact CE-CB 4.45Å
540	V	97.7	Very high	93.6	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	118.7	171.8	178.7	0	0	0	0	110.4	L516 L537 L542 W557 L563 S565 I566 D567	L516-V540 WeakPolarHBondContact O-CA 3.32Å; L537-V540 HydrophobicContact CD1-CG2 4.01Å; L537-V540 HydrophobicContact CD2-CG2 4.29Å; V540-L542 HydrophobicContact CG1-CD1 3.89Å; V540-L542 HydrophobicContact CG1-CG 3.93Å; V540-W557 HydrophobicContact CG1-CH2 4.31Å; V540-W557 HydrophobicContact CG2-CZ3 4.39Å; V540-L563 HydrophobicContact CG2-CD1 3.95Å; V540-S565 PolarHBondContact N-O 3.31Å; V540-S565 VanDerWaalsContact N-O 3.12Å; V540-I566 WeakPolarHBondContact O-CA 3.25Å; V540-D567 PolarHBondContact O-N 2.96Å
541	S	98.3	Very high	93.7	Very high	5 Å²	5	42.9 Å²	42.9	4%	0.035	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	119.7	170.7	164.1	0	0	0	0	110.5	L516 L518 E519	L516-S541 PolarHBondContact O-N 3.45Å; L518-S541 WeakPolarHBondContact CB-O 3.11Å; L518-S541 PolarHBondContact N-O 3.12Å; E519-S541 WeakPolarHBondContact OE2-CB 3.4Å; E519-S541 PolarHBondContact OE2-OG 3.38Å
542	L	97.9	Very high	93.8	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.208	C	C	.	.			trans	-123.4	21.1	173.1	-71.1	160.7	0	0	0	111	V505 L518 I523 I526 V540 N545 L547 D567 L568 N571	V505-L542 HydrophobicContact CG2-CD2 4.25Å; L518-L542 HydrophobicContact CB-CD2 4.07Å; L518-L542 HydrophobicContact CD1-CD2 4.14Å; I523-L542 HydrophobicContact CD1-CD2 3.74Å; I526-L542 HydrophobicContact CD1-CD1 3.74Å; V540-L542 HydrophobicContact CG1-CD1 3.89Å; V540-L542 HydrophobicContact CG1-CG 3.93Å; L542-N545 WeakPolarHBondContact O-CB 3.46Å; L542-N545 PolarHBondContact O-ND2 2.87Å; L542-L547 HydrophobicContact CB-CD1 3.99Å; L542-L547 HydrophobicContact CD1-CD1 4.04Å; L542-L547 HydrophobicContact CG-CD1 4.41Å; L542-D567 CarbonylContact C-O 3.52Å; L542-D567 WeakPolarHBondContact CA-O 3.24Å; L542-D567 PolarHBondContact N-O 3.2Å; L542-L568 HydrophobicContact CB-CD2 4.2Å; L542-L568 HydrophobicContact CD1-CD2 4.22Å; L542-N571 PolarHBondContact O-ND2 2.95Å
543	R	97.8	Very high	93.9	Very high	100 Å²	100	40.8 Å²	40.8	38%	0.377	20%	0.199	S	C	.	.			trans	-56.2	143.6	179.8	172.6	168.6	-162	-141.5	-2.2	113	E519 N520 N545 D567 S569 H570	E519-R543 CarbonylContact C-O 3.52Å; E519-R543 WeakPolarHBondContact CA-O 3.43Å; E519-R543 HydrophobicContact CB-CB 4.02Å; E519-R543 WeakPolarHBondContact CB-O 3.08Å; N520-R543 PolarHBondContact N-O 3.06Å; R543-N545 PolarHBondContact O-ND2 3Å; R543-D567 WeakPolarHBondContact CD-OD2 3.4Å; R543-D567 PolarHBondContact N-O 2.83Å; R543-S569 CarbonylContact C-O 3.49Å; R543-S569 VanDerWaalsContact CA-O 3.27Å; R543-S569 WeakPolarHBondContact CA-O 3.07Å; R543-S569 WeakPolarHBondContact CD-OG 3.48Å; R543-S569 WeakPolarHBondContact CG-OG 3.43Å; R543-S569 PolarHBondContact NE-OG 3.16Å; R543-H570 PolarHBondContact NE-CD2 3.01Å; R543-H570 PolarHBondContact NH2-NE2 3.05Å
544	H	98.1	Very high	93.7	Very high	69 Å²	69	36.7 Å²	36.7	32%	0.319	18%	0.183	S	C	.	.	S	Bend	trans	52.6	58.3	-178.3	-67.7	114.8	0	0	0	112.5	N520 N521 S569 H570	N520-H544 WeakPolarHBondContact CA-O 3.49Å; N520-H544 HydrophobicContact CB-CB 4.43Å; N520-H544 PolarHBondContact N-O 2.92Å; N520-H544 VanDerWaalsContact OD1-CB 3.25Å; N520-H544 WeakPolarHBondContact OD1-CB 3.4Å; N520-H544 PolarHBondContact OD1-ND1 2.92Å; N521-H544 PolarHBondContact N-O 2.93Å; H544-S569 PolarHBondContact N-O 3.02Å; H544-H570 VanDerWaalsContact CA-O 3.32Å; H544-H570 WeakPolarHBondContact CA-O 3.44Å; H544-H570 WeakPolarHBondContact CD2-CB 3.14Å; H544-H570 AromaticContact CD2-CG 3.7Å; H544-H570 AromaticContact CE1-CD2 3.64Å; H544-H570 AromaticContact CE1-CG 3.76Å; H544-H570 AromaticContact CE1-NE2 3.97Å; H544-H570 WeakPolarHBondContact NE2-CB 3.41Å; H544-H570 AromaticContact NE2-CD2 3.69Å; H544-H570 AromaticContact NE2-CE1 3.95Å; H544-H570 AromaticContact NE2-CG 3.32Å; H544-H570 VanDerWaalsContact NE2-CG 3.32Å; H544-H570 AromaticContact NE2-ND1 3.51Å
545	N	98.4	Very high	93.3	Very high	11 Å²	11	38.8 Å²	38.8	6%	0.059	19%	0.193	C	C	.	.	S	Bend	trans	-124	-157.5	169.5	-81.6	-81.5	0	0	0	108.9	L518 N521 L522 I523 L542 R543 N571	L518-N545 PolarHBondContact O-ND2 3.08Å; N521-N545 VanDerWaalsContact CA-OD1 3.31Å; N521-N545 WeakPolarHBondContact CA-OD1 3.32Å; N521-N545 WeakPolarHBondContact CB-OD1 3.48Å; N521-N545 PolarHBondContact N-OD1 2.96Å; N521-N545 PolarHBondContact O-OD1 3.11Å; L522-N545 PolarHBondContact N-OD1 2.78Å; I523-N545 HydrophobicContact CB-CB 4.14Å; I523-N545 VanDerWaalsContact CB-OD1 3.28Å; I523-N545 WeakPolarHBondContact CB-OD1 3.45Å; I523-N545 WeakPolarHBondContact CG1-OD1 3.48Å; I523-N545 PolarHBondContact N-OD1 3.25Å; L542-N545 WeakPolarHBondContact O-CB 3.46Å; L542-N545 PolarHBondContact O-ND2 2.87Å; R543-N545 PolarHBondContact O-ND2 3Å; N545-N571 WeakPolarHBondContact CA-OD1 3.29Å; N545-N571 WeakPolarHBondContact CB-OD1 3.41Å; N545-N571 PolarHBondContact N-OD1 3.1Å; N545-N571 PolarHBondContact O-OD1 3.15Å
546	K	97	Very high	93.1	Very high	77 Å²	77	37 Å²	37	34%	0.335	18%	0.183	S	C	.	.			trans	-126.3	33.8	-178.3	-54.9	-177.9	-164.1	164.9	0	112.3	I523 E524 N571	I523-K546 CarbonylContact O-C 3.59Å; I523-K546 WeakPolarHBondContact O-CA 3.46Å; I523-K546 PolarHBondContact O-N 2.82Å; E524-K546 HydrophobicContact CG-CB 3.85Å; E524-K546 HydrophobicContact CG-CD 3.83Å; E524-K546 HydrophobicContact CG-CG 4.47Å; E524-K546 WeakPolarHBondContact OE1-CD 3.41Å; E524-K546 IonicContact OE1-NZ 3.25Å; E524-K546 PolarHBondContact OE1-NZ 2.96Å; K546-N571 PolarHBondContact N-OD1 2.97Å
547	L	95.7	Very high	92.8	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.17	C	C	.	.			trans	-73.9	138.7	179.9	-66.4	168.1	0	0	0	110.7	I523 I526 L542 L568 N571 D572 F573	I523-L547 HydrophobicContact CG2-CD2 4.07Å; I523-L547 PolarHBondContact O-N 3.03Å; I526-L547 HydrophobicContact CD1-CD1 4.08Å; I526-L547 HydrophobicContact CD1-CD2 4.32Å; I526-L547 HydrophobicContact CG1-CD1 4.39Å; I526-L547 HydrophobicContact CG1-CD2 3.78Å; L542-L547 HydrophobicContact CB-CD1 3.99Å; L542-L547 HydrophobicContact CD1-CD1 4.04Å; L542-L547 HydrophobicContact CG-CD1 4.41Å; L547-L568 HydrophobicContact CD1-CD2 4.18Å; L547-N571 HydrophobicContact CB-CB 4.34Å; L547-N571 WeakPolarHBondContact CB-OD1 3.38Å; L547-N571 PolarHBondContact N-OD1 3.43Å; L547-D572 CarbonylContact O-C 3.37Å; L547-D572 WeakPolarHBondContact O-CA 3.41Å; L547-D572 PolarHBondContact O-N 2.03Å; L547-F573 HydrophobicContact CB-CE1 4.42Å; L547-F573 HydrophobicContact CB-CE2 3.79Å; L547-F573 HydrophobicContact CB-CZ 3.55Å; L547-F573 PolarHBondContact O-N 2.75Å
548	D	92.4	Very high	92.1	Very high	29 Å²	29	39.5 Å²	39.5	16%	0.155	19%	0.191	C	C	.	.			trans	-123.1	161.6	166.1	75.5	61.2	0	0	0	109.8	T550 R551	D548-T550 PolarHBondContact O-N 3.31Å; D548-T550 VanDerWaalsContact O-N 3.1Å; D548-T550 WeakPolarHBondContact OD1-CA 3.28Å; D548-T550 VanDerWaalsContact OD1-CB 3.3Å; D548-T550 WeakPolarHBondContact OD1-CB 3.39Å; D548-T550 PolarHBondContact OD1-N 2.89Å; D548-T550 PolarHBondContact OD1-OG1 3.03Å; D548-R551 PolarHBondContact O-N 2.86Å; D548-R551 VanDerWaalsContact O-N 3.12Å; D548-R551 PolarHBondContact OD1-N 2.8Å; D548-R551 VanDerWaalsContact OD2-CD 3.22Å; D548-R551 WeakPolarHBondContact OD2-CD 3.35Å; D548-R551 IonicContact OD2-CZ 2.77Å; D548-R551 IonicContact OD2-NE 3.89Å; D548-R551 PolarHBondContact OD2-NE 2.86Å
549	E	88.5	Confident	91.4	Very high	26 Å²	26	40.8 Å²	40.8	12%	0.121	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-58	-25	-175.7	57.9	-89	-171.9	0	0	114.5	R551 F573 Y574 L575 P577	E549-R551 VanDerWaalsContact C-N 3.32Å; E549-F573 HydrophobicContact CB-CD1 4.16Å; E549-F573 WeakPolarHBondContact OE2-CA 3.29Å; E549-Y574 PolarHBondContact OE2-N 3.49Å; E549-L575 HydrophobicContact CB-CD1 3.62Å; E549-L575 HydrophobicContact CB-CG 4.05Å; E549-L575 HydrophobicContact CG-CD1 3.73Å; E549-L575 HydrophobicContact CG-CD2 4.11Å; E549-L575 HydrophobicContact CG-CG 3.64Å; E549-P577 HydrophobicContact CB-CB 4.39Å
550	T	87.9	Confident	91	Very high	102 Å²	102	39.4 Å²	39.4	63%	0.626	19%	0.191	S	C	*	.	G	3₁₀ helix	trans	-83.2	-12.4	-176.6	76.1	0	0	0	0	112.8	D548	D548-T550 PolarHBondContact O-N 3.31Å; D548-T550 VanDerWaalsContact O-N 3.1Å; D548-T550 WeakPolarHBondContact OD1-CA 3.28Å; D548-T550 VanDerWaalsContact OD1-CB 3.3Å; D548-T550 WeakPolarHBondContact OD1-CB 3.39Å; D548-T550 PolarHBondContact OD1-N 2.89Å; D548-T550 PolarHBondContact OD1-OG1 3.03Å
551	R	89.7	Confident	90.5	Very high	114 Å²	114	49.3 Å²	49.3	43%	0.43	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-105	4.9	-175.3	-60.5	-179.7	-170.8	-99.7	-1.2	114.3	E524 E525 I526 D548 E549	E524-R551 WeakPolarHBondContact O-CB 3.41Å; E524-R551 WeakPolarHBondContact O-CD 3.4Å; E525-R551 HydrophobicContact CB-CB 4.08Å; I526-R551 PolarHBondContact N-O 2.78Å; D548-R551 PolarHBondContact O-N 2.86Å; D548-R551 VanDerWaalsContact O-N 3.12Å; D548-R551 PolarHBondContact OD1-N 2.8Å; D548-R551 VanDerWaalsContact OD2-CD 3.22Å; D548-R551 WeakPolarHBondContact OD2-CD 3.35Å; D548-R551 IonicContact OD2-CZ 2.77Å; D548-R551 IonicContact OD2-NE 3.89Å; D548-R551 PolarHBondContact OD2-NE 2.86Å; E549-R551 VanDerWaalsContact C-N 3.32Å
552	I	91.4	Very high	90.2	Very high	5 Å²	5	52.9 Å²	52.9	3%	0.026	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-91.3	109.4	165.1	-56.7	-177.4	0	0	0	107.8	I526 F573 P577	I526-I552 HydrophobicContact CD1-CD1 4.47Å; I526-I552 HydrophobicContact CD1-CG1 4.16Å; I552-F573 HydrophobicContact CD1-CE1 3.82Å; I552-F573 HydrophobicContact CD1-CZ 3.91Å; I552-F573 HydrophobicContact CG1-CE1 4.47Å; I552-P577 HydrophobicContact CD1-CB 4.1Å; I552-P577 HydrophobicContact CD1-CG 4.24Å
553	A	88.6	Confident	90	Very high	20 Å²	20	52.9 Å²	52.9	17%	0.165	25%	0.247	C	C	.	.			trans	-67.9	138.8	-178.8	0	0	0	0	0	111.5	I526 E528 M555 A556	I526-A553 WeakPolarHBondContact O-CB 3.44Å; I526-A553 PolarHBondContact O-N 3.32Å; E528-A553 HydrophobicContact CB-CB 4.47Å; E528-A553 HydrophobicContact CG-CB 3.54Å; A553-M555 PolarHBondContact O-N 3.02Å; A553-A556 VanDerWaalsContact O-CB 3.29Å; A553-A556 WeakPolarHBondContact O-CB 3.42Å; A553-A556 PolarHBondContact O-N 3.01Å
554	P	82.8	Confident	90	Very high	41 Å²	41	52.2 Å²	52.2	27%	0.266	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-26.4	-167.9	-27.9	35.6	0	0	0	116.1	Y579	P554-Y579 HydrophobicContact CB-CD1 3.65Å; P554-Y579 HydrophobicContact CB-CD2 4.38Å; P554-Y579 HydrophobicContact CB-CE1 3.65Å; P554-Y579 HydrophobicContact CB-CE2 4.39Å; P554-Y579 HydrophobicContact CB-CG 4.04Å; P554-Y579 HydrophobicContact CG-CD1 4.23Å; P554-Y579 HydrophobicContact CG-CD2 4.22Å; P554-Y579 HydrophobicContact CG-CE1 3.91Å; P554-Y579 HydrophobicContact CG-CE2 3.91Å; P554-Y579 HydrophobicContact CG-CG 4.38Å
555	M	83	Confident	89.9	Confident	44 Å²	44	49.7 Å²	49.7	22%	0.217	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-3	-179.7	-78	64.1	54.8	0	0	113.9	L103 E528 A553 W557 F558	L103-M555 HydrophobicContact CD2-CE 3.82Å; L103-M555 HydrophobicContact CD2-SD 4.34Å; E528-M555 HydrophobicContact CB-CB 4.45Å; E528-M555 HydrophobicContact CG-CB 4.28Å; E528-M555 HydrophobicContact CG-CE 4.3Å; E528-M555 WeakPolarHBondContact OE1-CE 3.48Å; A553-M555 PolarHBondContact O-N 3.02Å; M555-W557 PolarHBondContact O-N 3.09Å; M555-F558 HydrophobicContact CB-CB 4.46Å; M555-F558 VanDerWaalsContact O-CB 3.3Å; M555-F558 WeakPolarHBondContact O-CB 3.46Å; M555-F558 PolarHBondContact O-N 3.23Å
556	A	86.9	Confident	89.9	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-33.8	-173.5	0	0	0	0	0	113.7	I526 A553	I526-A556 HydrophobicContact CG2-CB 3.89Å; A553-A556 VanDerWaalsContact O-CB 3.29Å; A553-A556 WeakPolarHBondContact O-CB 3.42Å; A553-A556 PolarHBondContact O-N 3.01Å
557	W	87.8	Confident	89.9	Confident	8 Å²	8	46.7 Å²	46.7	3%	0.03	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.7	-2.5	-178	-54.4	107.5	0	0	0	114.4	I526 F531 V540 M555 N559 H560 L563 I566 P581	I526-W557 HydrophobicContact CD1-CZ2 3.8Å; I526-W557 HydrophobicContact CG2-CZ2 4.46Å; F531-W557 AromaticContact CD2-CE3 3.93Å; F531-W557 HydrophobicContact CD2-CE3 3.93Å; F531-W557 AromaticContact CD2-CH2 3.82Å; F531-W557 HydrophobicContact CD2-CH2 3.82Å; F531-W557 HydrophobicContact CD2-CZ2 4.43Å; F531-W557 AromaticContact CD2-CZ3 3.5Å; F531-W557 HydrophobicContact CD2-CZ3 3.5Å; F531-W557 HydrophobicContact CE2-CE3 4.23Å; F531-W557 AromaticContact CE2-CH2 3.24Å; F531-W557 HydrophobicContact CE2-CH2 3.24Å; F531-W557 AromaticContact CE2-CZ2 3.88Å; F531-W557 HydrophobicContact CE2-CZ2 3.88Å; F531-W557 AromaticContact CE2-CZ3 3.43Å; F531-W557 HydrophobicContact CE2-CZ3 3.43Å; F531-W557 VanDerWaalsContact CE2-CZ3 3.43Å; F531-W557 HydrophobicContact CG-CZ3 4.21Å; F531-W557 AromaticContact CZ-CH2 3.83Å; F531-W557 HydrophobicContact CZ-CH2 3.83Å; F531-W557 HydrophobicContact CZ-CZ3 4.07Å; V540-W557 HydrophobicContact CG1-CH2 4.31Å; V540-W557 HydrophobicContact CG2-CZ3 4.39Å; M555-W557 PolarHBondContact O-N 3.09Å; W557-N559 PolarHBondContact O-N 2.84Å; W557-H560 WeakPolarHBondContact O-CB 3.37Å; W557-H560 PolarHBondContact O-N 3.06Å; W557-H560 PolarHBondContact O-ND1 2.87Å; W557-L563 HydrophobicContact CD2-CD2 4.3Å; W557-L563 HydrophobicContact CE3-CD2 3.34Å; W557-L563 HydrophobicContact CH2-CD2 4.37Å; W557-L563 HydrophobicContact CZ3-CD2 3.4Å; W557-I566 HydrophobicContact CH2-CD1 4.24Å; W557-I566 HydrophobicContact CZ2-CD1 4.17Å; W557-P581 HydrophobicContact CB-CB 4.06Å
558	F	80.2	Confident	90.1	Very high	101 Å²	101	46.8 Å²	46.8	44%	0.443	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-33.5	-167.8	-177.8	-92.8	0	0	0	115.1	L106 M555	L106-F558 HydrophobicContact CD2-CE2 4.03Å; L106-F558 HydrophobicContact CG-CE2 4.39Å; M555-F558 HydrophobicContact CB-CB 4.46Å; M555-F558 VanDerWaalsContact O-CB 3.3Å; M555-F558 WeakPolarHBondContact O-CB 3.46Å; M555-F558 PolarHBondContact O-N 3.23Å
559	N	82.7	Confident	90.3	Very high	69 Å²	69	45.6 Å²	45.6	37%	0.369	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-3.6	-179	-72.3	-54	0	0	0	114.5	N532 W557	N532-N559 PolarHBondContact OD1-ND2 2.83Å; W557-N559 PolarHBondContact O-N 2.84Å
560	H	88.6	Confident	90.8	Very high	6 Å²	6	47.3 Å²	47.3	3%	0.028	23%	0.228	C	C	.	.			trans	-92	111.9	-173.7	-61.6	83.3	0	0	0	110.9	F531 T534 W557 L563	F531-H560 WeakPolarHBondContact CB-CE1 3.4Å; F531-H560 PolarHBondContact O-CE1 2.94Å; F531-H560 PolarHBondContact O-NE2 2.93Å; F531-H560 VanDerWaalsContact O-NE2 3.16Å; T534-H560 PolarHBondContact O-NE2 2.92Å; W557-H560 WeakPolarHBondContact O-CB 3.37Å; W557-H560 PolarHBondContact O-N 3.06Å; W557-H560 PolarHBondContact O-ND1 2.87Å; H560-L563 HydrophobicContact CB-CB 3.92Å; H560-L563 HydrophobicContact CB-CD2 4.08Å
561	R	86.5	Confident	91.3	Very high	209 Å²	209	42.8 Å²	42.8	79%	0.789	20%	0.2	S	C	*	.	S	Bend	trans	-112	-7	-176.5	-58.4	-175	-177.1	-165.8	-0.5	114.1	S583	R561-S583 WeakPolarHBondContact O-CB 3.05Å
562	N	91.6	Very high	91.6	Very high	80 Å²	80	39.9 Å²	39.9	43%	0.428	19%	0.193	S	C	.	.	S	Bend	trans	-121.8	4.1	-176.3	-51.7	-12.7	0	0	0	111.8	L537 N538 E564	L537-N562 CarbonylContact O-C 3.59Å; L537-N562 VanDerWaalsContact O-C 3.3Å; N538-N562 WeakPolarHBondContact CA-O 3.3Å; N538-N562 PolarHBondContact ND2-O 3.1Å; N562-E564 PolarHBondContact O-N 3.44Å; N562-E564 VanDerWaalsContact O-N 3.09Å
563	L	95.2	Very high	91.8	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.192	C	C	.	.			trans	-81.6	90.3	-174.8	179.1	51.8	0	0	0	108	L537 N538 V540 W557 H560 I566 P581 S583	L537-L563 VanDerWaalsContact O-CA 3.28Å; L537-L563 WeakPolarHBondContact O-CA 3.33Å; L537-L563 PolarHBondContact O-N 2.88Å; N538-L563 WeakPolarHBondContact O-CD1 3.39Å; V540-L563 HydrophobicContact CG2-CD1 3.95Å; W557-L563 HydrophobicContact CD2-CD2 4.3Å; W557-L563 HydrophobicContact CE3-CD2 3.34Å; W557-L563 HydrophobicContact CH2-CD2 4.37Å; W557-L563 HydrophobicContact CZ3-CD2 3.4Å; H560-L563 HydrophobicContact CB-CB 3.92Å; H560-L563 HydrophobicContact CB-CD2 4.08Å; L563-I566 HydrophobicContact CD1-CG1 4.12Å; L563-I566 HydrophobicContact CD2-CD1 4.02Å; L563-I566 HydrophobicContact CD2-CG1 4.3Å; L563-I566 HydrophobicContact CG-CD1 4.29Å; L563-I566 HydrophobicContact CG-CG1 4.16Å; L563-P581 HydrophobicContact CD2-CB 4.45Å; L563-P581 HydrophobicContact CD2-CG 3.98Å; L563-P581 HydrophobicContact CG-CG 4.1Å; L563-S583 PolarHBondContact N-OG 3.23Å; L563-S583 CarbonylContact O-C 3.45Å; L563-S583 VanDerWaalsContact O-C 3.32Å; L563-S583 VanDerWaalsContact O-O 3.12Å; L563-S583 PolarHBondContact O-OG 3.38Å
564	E	96.1	Very high	92	Very high	85 Å²	85	43.4 Å²	43.4	40%	0.397	20%	0.202	S	C	.	.			trans	-86.1	-26.5	-172.1	-72.3	165.7	-173.6	0	0	111.4	N538 N562 V585 H586	N538-E564 PolarHBondContact ND2-OE2 3.16Å; N538-E564 PolarHBondContact O-N 3.22Å; N562-E564 PolarHBondContact O-N 3.44Å; N562-E564 VanDerWaalsContact O-N 3.09Å; E564-V585 HydrophobicContact CB-CB 4.45Å; E564-V585 HydrophobicContact CB-CG2 4.09Å; E564-V585 HydrophobicContact CG-CG2 4.07Å; E564-V585 CarbonylContact O-C 3.58Å; E564-V585 WeakPolarHBondContact O-CA 3.06Å; E564-V585 WeakPolarHBondContact O-CB 3.49Å; E564-V585 PolarHBondContact O-N 3.36Å; E564-H586 PolarHBondContact O-N 3.17Å
565	S	97.5	Very high	92.5	Very high	16 Å²	16	43.4 Å²	43.4	11%	0.112	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	134.4	-174.6	-178.6	0	0	0	0	113.6	N538 M539 V540	N538-S565 PolarHBondContact O-N 2.73Å; M539-S565 WeakPolarHBondContact CA-O 3.28Å; M539-S565 VanDerWaalsContact SD-CB 3.53Å; M539-S565 PolarHBondContact SD-OG 3.13Å; V540-S565 PolarHBondContact N-O 3.31Å; V540-S565 VanDerWaalsContact N-O 3.12Å
566	I	97.4	Very high	93	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	130.9	170.2	-55.9	176.7	0	0	0	110.4	V540 W557 L563 L568 L580 P581 L584 H586 V588	V540-I566 WeakPolarHBondContact O-CA 3.25Å; W557-I566 HydrophobicContact CH2-CD1 4.24Å; W557-I566 HydrophobicContact CZ2-CD1 4.17Å; L563-I566 HydrophobicContact CD1-CG1 4.12Å; L563-I566 HydrophobicContact CD2-CD1 4.02Å; L563-I566 HydrophobicContact CD2-CG1 4.3Å; L563-I566 HydrophobicContact CG-CD1 4.29Å; L563-I566 HydrophobicContact CG-CG1 4.16Å; I566-L568 HydrophobicContact CG2-CD2 3.89Å; I566-L568 HydrophobicContact CG2-CG 3.81Å; I566-L580 HydrophobicContact CD1-CD2 4.44Å; I566-P581 HydrophobicContact CD1-CG 3.73Å; I566-L584 HydrophobicContact CB-CD1 4.21Å; I566-L584 HydrophobicContact CD1-CD1 4.08Å; I566-L584 HydrophobicContact CG1-CD1 3.76Å; I566-H586 PolarHBondContact N-O 3.03Å; I566-V588 PolarHBondContact O-N 3.17Å; I566-V588 VanDerWaalsContact O-N 3.1Å
567	D	98.4	Very high	93.2	Very high	25 Å²	25	41.4 Å²	41.4	13%	0.134	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	113.6	168.2	-173.3	-3.3	0	0	0	111.4	M539 V540 L542 R543 S569 V588	M539-D567 HydrophobicContact CE-CB 4.45Å; V540-D567 PolarHBondContact O-N 2.96Å; L542-D567 CarbonylContact C-O 3.52Å; L542-D567 WeakPolarHBondContact CA-O 3.24Å; L542-D567 PolarHBondContact N-O 3.2Å; R543-D567 WeakPolarHBondContact CD-OD2 3.4Å; R543-D567 PolarHBondContact N-O 2.83Å; D567-S569 WeakPolarHBondContact OD1-CB 3.37Å; D567-S569 PolarHBondContact OD1-N 3.01Å; D567-S569 PolarHBondContact OD1-OG 3.17Å; D567-S569 PolarHBondContact OD2-OG 2.98Å; D567-V588 HydrophobicContact CB-CB 4.22Å; D567-V588 HydrophobicContact CB-CG2 4.38Å
568	L	97.9	Very high	92.9	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.01	19%	0.193	C	C	.	.			trans	-112.7	15.3	176.2	-64.3	179.9	0	0	0	111.9	L542 L547 I566 N571 F573 P577 L580 L587 V588 L589 N592	L542-L568 HydrophobicContact CB-CD2 4.2Å; L542-L568 HydrophobicContact CD1-CD2 4.22Å; L547-L568 HydrophobicContact CD1-CD2 4.18Å; I566-L568 HydrophobicContact CG2-CD2 3.89Å; I566-L568 HydrophobicContact CG2-CG 3.81Å; L568-N571 PolarHBondContact O-ND2 3.39Å; L568-N571 VanDerWaalsContact O-ND2 3.15Å; L568-F573 HydrophobicContact CB-CD2 4.44Å; L568-F573 HydrophobicContact CB-CE2 3.84Å; L568-F573 HydrophobicContact CD1-CE2 4.1Å; L568-F573 HydrophobicContact CD1-CZ 3.98Å; L568-F573 HydrophobicContact CD2-CE2 4.21Å; L568-F573 HydrophobicContact CD2-CZ 4.22Å; L568-F573 HydrophobicContact CG-CE2 4.27Å; L568-F573 HydrophobicContact CG-CZ 4.47Å; L568-P577 HydrophobicContact CD1-CG 4.21Å; L568-L580 HydrophobicContact CD1-CD2 4.35Å; L568-L587 HydrophobicContact CD1-CD1 4.36Å; L568-V588 CarbonylContact C-O 3.49Å; L568-V588 WeakPolarHBondContact CA-O 3.42Å; L568-V588 WeakPolarHBondContact CB-O 3.46Å; L568-V588 PolarHBondContact N-O 3.23Å; L568-L589 HydrophobicContact CB-CD2 3.71Å; L568-L589 HydrophobicContact CB-CG 4.46Å; L568-L589 HydrophobicContact CD1-CD2 4.06Å; L568-N592 PolarHBondContact O-ND2 3.02Å
569	S	98.2	Very high	92.9	Very high	3 Å²	3	39 Å²	39	2%	0.021	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	150.8	-176.1	60.7	0	0	0	0	113.3	R543 H544 D567 N571 V588 V590	R543-S569 CarbonylContact C-O 3.49Å; R543-S569 VanDerWaalsContact CA-O 3.27Å; R543-S569 WeakPolarHBondContact CA-O 3.07Å; R543-S569 WeakPolarHBondContact CD-OG 3.48Å; R543-S569 WeakPolarHBondContact CG-OG 3.43Å; R543-S569 PolarHBondContact NE-OG 3.16Å; H544-S569 PolarHBondContact N-O 3.02Å; D567-S569 WeakPolarHBondContact OD1-CB 3.37Å; D567-S569 PolarHBondContact OD1-N 3.01Å; D567-S569 PolarHBondContact OD1-OG 3.17Å; D567-S569 PolarHBondContact OD2-OG 2.98Å; S569-N571 PolarHBondContact O-N 3.2Å; S569-N571 PolarHBondContact O-ND2 3.12Å; S569-N571 VanDerWaalsContact O-ND2 3.09Å; S569-V588 PolarHBondContact N-O 3.21Å; S569-V590 CarbonylContact C-O 3.42Å; S569-V590 WeakPolarHBondContact CA-O 3.42Å; S569-V590 WeakPolarHBondContact CB-O 3.45Å
570	H	97.9	Very high	93.3	Very high	62 Å²	62	36.1 Å²	36.1	29%	0.287	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.2	47.3	179.8	-48.5	-98.3	0	0	0	114.4	R543 H544 V590	R543-H570 PolarHBondContact NE-CD2 3.01Å; R543-H570 PolarHBondContact NH2-NE2 3.05Å; H544-H570 VanDerWaalsContact CA-O 3.32Å; H544-H570 WeakPolarHBondContact CA-O 3.44Å; H544-H570 WeakPolarHBondContact CD2-CB 3.14Å; H544-H570 AromaticContact CD2-CG 3.7Å; H544-H570 AromaticContact CE1-CD2 3.64Å; H544-H570 AromaticContact CE1-CG 3.76Å; H544-H570 AromaticContact CE1-NE2 3.97Å; H544-H570 WeakPolarHBondContact NE2-CB 3.41Å; H544-H570 AromaticContact NE2-CD2 3.69Å; H544-H570 AromaticContact NE2-CE1 3.95Å; H544-H570 AromaticContact NE2-CG 3.32Å; H544-H570 VanDerWaalsContact NE2-CG 3.32Å; H544-H570 AromaticContact NE2-ND1 3.51Å; H570-V590 PolarHBondContact N-O 3.03Å
571	N	97.9	Very high	93.4	Very high	8 Å²	8	36 Å²	36	4%	0.043	17%	0.165	C	C	.	.	S	Bend	trans	-110.5	-159.6	170.6	-83.4	-92	0	0	0	109.5	L542 N545 K546 L547 L568 S569 F573 N592	L542-N571 PolarHBondContact O-ND2 2.95Å; N545-N571 WeakPolarHBondContact CA-OD1 3.29Å; N545-N571 WeakPolarHBondContact CB-OD1 3.41Å; N545-N571 PolarHBondContact N-OD1 3.1Å; N545-N571 PolarHBondContact O-OD1 3.15Å; K546-N571 PolarHBondContact N-OD1 2.97Å; L547-N571 HydrophobicContact CB-CB 4.34Å; L547-N571 WeakPolarHBondContact CB-OD1 3.38Å; L547-N571 PolarHBondContact N-OD1 3.43Å; L568-N571 PolarHBondContact O-ND2 3.39Å; L568-N571 VanDerWaalsContact O-ND2 3.15Å; S569-N571 PolarHBondContact O-N 3.2Å; S569-N571 PolarHBondContact O-ND2 3.12Å; S569-N571 VanDerWaalsContact O-ND2 3.09Å; N571-F573 HydrophobicContact CB-CD2 3.65Å; N571-F573 HydrophobicContact CB-CE2 3.63Å; N571-N592 WeakPolarHBondContact CA-OD1 3.27Å; N571-N592 VanDerWaalsContact CB-OD1 3.27Å; N571-N592 WeakPolarHBondContact CB-OD1 3.46Å; N571-N592 PolarHBondContact N-OD1 3.14Å; N571-N592 PolarHBondContact O-OD1 3.39Å; N571-N592 VanDerWaalsContact O-OD1 3.07Å
572	D	96.1	Very high	93.5	Very high	53 Å²	53	30 Å²	30	28%	0.283	15%	0.145	S	C	.	.			trans	-105.6	10.3	-175.3	-84.4	-57.8	0	0	0	114.2	L547 Y574 K593	L547-D572 CarbonylContact O-C 3.37Å; L547-D572 WeakPolarHBondContact O-CA 3.41Å; L547-D572 PolarHBondContact O-N 2.03Å; D572-Y574 WeakPolarHBondContact O-CD2 3.22Å; D572-Y574 WeakPolarHBondContact O-CE2 3.33Å; D572-K593 IonicContact OD1-NZ 2.83Å; D572-K593 PolarHBondContact OD1-NZ 3.4Å
573	F	95.8	Very high	93.6	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.128	C	C	.	.			trans	-58.5	132.2	-176.6	-65.2	-78.1	0	0	0	114.1	L547 E549 I552 L568 N571 P577 L589 N592 K593 V594	L547-F573 HydrophobicContact CB-CE1 4.42Å; L547-F573 HydrophobicContact CB-CE2 3.79Å; L547-F573 HydrophobicContact CB-CZ 3.55Å; L547-F573 PolarHBondContact O-N 2.75Å; E549-F573 HydrophobicContact CB-CD1 4.16Å; E549-F573 WeakPolarHBondContact OE2-CA 3.29Å; I552-F573 HydrophobicContact CD1-CE1 3.82Å; I552-F573 HydrophobicContact CD1-CZ 3.91Å; I552-F573 HydrophobicContact CG1-CE1 4.47Å; L568-F573 HydrophobicContact CB-CD2 4.44Å; L568-F573 HydrophobicContact CB-CE2 3.84Å; L568-F573 HydrophobicContact CD1-CE2 4.1Å; L568-F573 HydrophobicContact CD1-CZ 3.98Å; L568-F573 HydrophobicContact CD2-CE2 4.21Å; L568-F573 HydrophobicContact CD2-CZ 4.22Å; L568-F573 HydrophobicContact CG-CE2 4.27Å; L568-F573 HydrophobicContact CG-CZ 4.47Å; N571-F573 HydrophobicContact CB-CD2 3.65Å; N571-F573 HydrophobicContact CB-CE2 3.63Å; F573-P577 HydrophobicContact CD1-CG 4.41Å; F573-P577 HydrophobicContact CE1-CB 4.37Å; F573-P577 HydrophobicContact CE1-CG 4.17Å; F573-L589 HydrophobicContact CD2-CD2 4.08Å; F573-L589 HydrophobicContact CG-CD2 4.38Å; F573-N592 HydrophobicContact CB-CB 4.35Å; F573-N592 WeakPolarHBondContact CD2-OD1 3.28Å; F573-K593 CarbonylContact O-C 3.52Å; F573-K593 VanDerWaalsContact O-CA 3.29Å; F573-K593 WeakPolarHBondContact O-CA 3.31Å; F573-K593 WeakPolarHBondContact O-CB 3.35Å; F573-K593 PolarHBondContact O-N 3.14Å; F573-V594 HydrophobicContact CB-CG2 4.23Å; F573-V594 PolarHBondContact O-N 3.1Å; F573-V594 VanDerWaalsContact O-N 3.14Å
574	Y	93.3	Very high	93.6	Very high	98 Å²	98	26.8 Å²	26.8	38%	0.384	13%	0.128	S	C	.	.	S	Bend	trans	-105	-16	172.9	-65	-90.9	0	0	0	113.5	E549 D572 K593 V594 E595 R596	E549-Y574 PolarHBondContact OE2-N 3.49Å; D572-Y574 WeakPolarHBondContact O-CD2 3.22Å; D572-Y574 WeakPolarHBondContact O-CE2 3.33Å; Y574-K593 HydrophobicContact CD1-CB 3.91Å; Y574-K593 HydrophobicContact CE1-CB 3.85Å; Y574-K593 HydrophobicContact CE1-CD 3.96Å; Y574-K593 HydrophobicContact CE2-CD 4.45Å; Y574-K593 HydrophobicContact CG-CB 4.47Å; Y574-V594 CarbonylContact O-C 3.5Å; Y574-V594 WeakPolarHBondContact O-CA 3.43Å; Y574-E595 PolarHBondContact O-N 3.37Å; Y574-R596 PolarHBondContact O-N 2.72Å
575	L	93.2	Very high	93.6	Very high	42 Å²	42	23.6 Å²	23.6	22%	0.22	11%	0.114	C	C	.	.	B	Isolated β-bridge	trans	-139.6	160.1	172.7	60.3	82	0	0	0	111.3	E549 P577 R596	E549-L575 HydrophobicContact CB-CD1 3.62Å; E549-L575 HydrophobicContact CB-CG 4.05Å; E549-L575 HydrophobicContact CG-CD1 3.73Å; E549-L575 HydrophobicContact CG-CD2 4.11Å; E549-L575 HydrophobicContact CG-CG 3.64Å; L575-P577 WeakPolarHBondContact O-CD 3.04Å; L575-R596 WeakPolarHBondContact CA-O 3.35Å; L575-R596 HydrophobicContact CB-CB 4.41Å
576	V	94.1	Very high	93.6	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.126	C	C	.	.			trans	-66.7	118.7	172.2	179.5	0	0	0	0	109.2	L587 L589 V594 R596 I597 I601 F602 L614	V576-L587 HydrophobicContact CG1-CD2 4.47Å; V576-L589 HydrophobicContact CG1-CD1 4.22Å; V576-L589 HydrophobicContact CG2-CD1 4.18Å; V576-V594 HydrophobicContact CG2-CG1 4.21Å; V576-R596 PolarHBondContact N-O 3.2Å; V576-I597 HydrophobicContact CB-CG2 4.45Å; V576-I597 HydrophobicContact CG2-CB 4.3Å; V576-I597 HydrophobicContact CG2-CG1 3.95Å; V576-I597 HydrophobicContact CG2-CG2 4.07Å; V576-I601 HydrophobicContact CG1-CG1 4.19Å; V576-I601 HydrophobicContact CG1-CG2 4.43Å; V576-F602 HydrophobicContact CG1-CE1 3.97Å; V576-F602 HydrophobicContact CG1-CZ 4Å; V576-L614 HydrophobicContact CG2-CD2 4.23Å
577	P	91.7	Very high	93.6	Very high	2 Å²	2	26.4 Å²	26.4	1%	0.013	13%	0.126	C	C	.	.			trans	-71.4	133.7	-169.9	27.2	-34.4	0	0	0	112.4	E549 I552 L568 F573 L575 Y579 L580	E549-P577 HydrophobicContact CB-CB 4.39Å; I552-P577 HydrophobicContact CD1-CB 4.1Å; I552-P577 HydrophobicContact CD1-CG 4.24Å; L568-P577 HydrophobicContact CD1-CG 4.21Å; F573-P577 HydrophobicContact CD1-CG 4.41Å; F573-P577 HydrophobicContact CE1-CB 4.37Å; F573-P577 HydrophobicContact CE1-CG 4.17Å; L575-P577 WeakPolarHBondContact O-CD 3.04Å; P577-Y579 PolarHBondContact O-N 3.43Å; P577-L580 HydrophobicContact CG-CD1 4.31Å; P577-L580 HydrophobicContact CG-CD2 4.3Å; P577-L580 HydrophobicContact CG-CG 4.22Å; P577-L580 WeakPolarHBondContact O-CD1 3.29Å; P577-L580 WeakPolarHBondContact O-CG 3.46Å
578	S	81	Confident	93.6	Very high	13 Å²	13	26.4 Å²	26.4	9%	0.091	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-28.1	-173.9	-37.8	0	0	0	0	114.8	V110 L580	V110-S578 WeakPolarHBondContact O-CB 3Å; S578-L580 PolarHBondContact O-N 2.93Å; S578-L580 VanDerWaalsContact O-N 3.15Å
579	Y	80.5	Confident	93.6	Very high	45 Å²	45	26.3 Å²	26.3	18%	0.176	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	28	-168.8	-53	-61.2	0	0	0	114	M105 W111 P554 P577	M105-Y579 HydrophobicContact CE-CD1 4.44Å; M105-Y579 HydrophobicContact CE-CE1 4.18Å; W111-Y579 HydrophobicContact CB-CE1 3.58Å; W111-Y579 HydrophobicContact CG-CE1 4.45Å; P554-Y579 HydrophobicContact CB-CD1 3.65Å; P554-Y579 HydrophobicContact CB-CD2 4.38Å; P554-Y579 HydrophobicContact CB-CE1 3.65Å; P554-Y579 HydrophobicContact CB-CE2 4.39Å; P554-Y579 HydrophobicContact CB-CG 4.04Å; P554-Y579 HydrophobicContact CG-CD1 4.23Å; P554-Y579 HydrophobicContact CG-CD2 4.22Å; P554-Y579 HydrophobicContact CG-CE1 3.91Å; P554-Y579 HydrophobicContact CG-CE2 3.91Å; P554-Y579 HydrophobicContact CG-CG 4.38Å; P577-Y579 PolarHBondContact O-N 3.43Å
580	L	90.1	Very high	93.6	Very high	9 Å²	9	27.6 Å²	27.6	5%	0.047	13%	0.134	C	C	.	.			trans	-70.3	148.4	179.4	-71.8	168.9	0	0	0	112.3	I566 L568 P577 S578 L584 L587 H604 M605	I566-L580 HydrophobicContact CD1-CD2 4.44Å; L568-L580 HydrophobicContact CD1-CD2 4.35Å; P577-L580 HydrophobicContact CG-CD1 4.31Å; P577-L580 HydrophobicContact CG-CD2 4.3Å; P577-L580 HydrophobicContact CG-CG 4.22Å; P577-L580 WeakPolarHBondContact O-CD1 3.29Å; P577-L580 WeakPolarHBondContact O-CG 3.46Å; S578-L580 PolarHBondContact O-N 2.93Å; S578-L580 VanDerWaalsContact O-N 3.15Å; L580-L584 HydrophobicContact CB-CD2 4.3Å; L580-L584 HydrophobicContact CD1-CD2 4.25Å; L580-L584 HydrophobicContact CD2-CD2 4.26Å; L580-L587 HydrophobicContact CD1-CD1 4.16Å; L580-L587 HydrophobicContact CD1-CD2 3.59Å; L580-L587 HydrophobicContact CD2-CD1 4.26Å; L580-H604 PolarHBondContact O-NE2 3.49Å; L580-M605 HydrophobicContact CB-CE 3.78Å; L580-M605 HydrophobicContact CD1-CE 4.07Å
581	P	90.8	Very high	93.6	Very high	4 Å²	4	25.8 Å²	25.8	3%	0.026	13%	0.132	C	C	.	.			trans	-61.2	145.4	-178.6	22.9	-31.9	0	0	0	112.6	W557 L563 I566 S583 L584	W557-P581 HydrophobicContact CB-CB 4.06Å; L563-P581 HydrophobicContact CD2-CB 4.45Å; L563-P581 HydrophobicContact CD2-CG 3.98Å; L563-P581 HydrophobicContact CG-CG 4.1Å; I566-P581 HydrophobicContact CD1-CG 3.73Å; P581-S583 VanDerWaalsContact C-N 3.26Å; P581-S583 PolarHBondContact O-N 2.83Å; P581-L584 HydrophobicContact CG-CB 4.25Å; P581-L584 HydrophobicContact CG-CD1 4.19Å; P581-L584 WeakPolarHBondContact O-CB 3.5Å; P581-L584 PolarHBondContact O-N 2.63Å
582	K	89.6	Confident	93.6	Very high	82 Å²	82	25.8 Å²	25.8	36%	0.357	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-27.9	178	171.1	154.8	-178.1	156.3	0	113.5	L584 H604 M605 D606	K582-L584 VanDerWaalsContact C-N 3.28Å; K582-L584 PolarHBondContact O-N 3.04Å; K582-H604 WeakPolarHBondContact CD-O 3.33Å; K582-H604 VanDerWaalsContact CE-O 3.23Å; K582-H604 WeakPolarHBondContact CE-O 3.39Å; K582-H604 VanDerWaalsContact CG-O 3.24Å; K582-H604 WeakPolarHBondContact CG-O 3.45Å; K582-M605 WeakPolarHBondContact O-CA 3.4Å; K582-D606 HydrophobicContact CD-CB 4.27Å; K582-D606 WeakPolarHBondContact CE-OD2 3.5Å; K582-D606 HydrophobicContact CG-CB 4.07Å; K582-D606 IonicContact NZ-OD2 3.15Å; K582-D606 PolarHBondContact NZ-OD2 3.11Å; K582-D606 PolarHBondContact O-N 3.19Å
583	S	93.2	Very high	93.6	Very high	13 Å²	13	26 Å²	26	9%	0.091	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	8.3	-179.9	60.4	0	0	0	0	115	R561 L563 P581	R561-S583 WeakPolarHBondContact O-CB 3.05Å; L563-S583 PolarHBondContact N-OG 3.23Å; L563-S583 CarbonylContact O-C 3.45Å; L563-S583 VanDerWaalsContact O-C 3.32Å; L563-S583 VanDerWaalsContact O-O 3.12Å; L563-S583 PolarHBondContact O-OG 3.38Å; P581-S583 VanDerWaalsContact C-N 3.26Å; P581-S583 PolarHBondContact O-N 2.83Å
584	L	94.6	Very high	93.6	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.131	C	C	.	.			trans	-72.5	132.1	-171.5	-161.1	66.8	0	0	0	112	I566 L580 P581 K582 H586 L587 M605 L609	I566-L584 HydrophobicContact CB-CD1 4.21Å; I566-L584 HydrophobicContact CD1-CD1 4.08Å; I566-L584 HydrophobicContact CG1-CD1 3.76Å; L580-L584 HydrophobicContact CB-CD2 4.3Å; L580-L584 HydrophobicContact CD1-CD2 4.25Å; L580-L584 HydrophobicContact CD2-CD2 4.26Å; P581-L584 HydrophobicContact CG-CB 4.25Å; P581-L584 HydrophobicContact CG-CD1 4.19Å; P581-L584 WeakPolarHBondContact O-CB 3.5Å; P581-L584 PolarHBondContact O-N 2.63Å; K582-L584 VanDerWaalsContact C-N 3.28Å; K582-L584 PolarHBondContact O-N 3.04Å; L584-H586 WeakPolarHBondContact CD1-O 3.5Å; L584-L587 HydrophobicContact CD2-CB 3.95Å; L584-L587 HydrophobicContact CD2-CD1 4.11Å; L584-L587 HydrophobicContact CD2-CD2 4.45Å; L584-L587 HydrophobicContact CD2-CG 4.39Å; L584-M605 HydrophobicContact CB-CE 4.28Å; L584-M605 HydrophobicContact CB-SD 4.27Å; L584-M605 HydrophobicContact CD2-CE 4.04Å; L584-L609 HydrophobicContact CB-CD1 4.42Å; L584-L609 HydrophobicContact CD2-CD1 4.13Å; L584-L609 HydrophobicContact CG-CD1 3.99Å
585	V	96.4	Very high	93.6	Very high	17 Å²	17	23.7 Å²	23.7	10%	0.103	12%	0.123	C	C	.	.			trans	-118.1	-38	-179.7	-168.9	0	0	0	0	110.3	E564 L609 E610 Y611	E564-V585 HydrophobicContact CB-CB 4.45Å; E564-V585 HydrophobicContact CB-CG2 4.09Å; E564-V585 HydrophobicContact CG-CG2 4.07Å; E564-V585 CarbonylContact O-C 3.58Å; E564-V585 WeakPolarHBondContact O-CA 3.06Å; E564-V585 WeakPolarHBondContact O-CB 3.49Å; E564-V585 PolarHBondContact O-N 3.36Å; V585-L609 WeakPolarHBondContact O-CD1 3.49Å; V585-E610 HydrophobicContact CG1-CB 3.78Å; V585-E610 VanDerWaalsContact CG1-CD 3.45Å; V585-E610 HydrophobicContact CG1-CG 3.61Å; V585-E610 PolarHBondContact O-N 3.06Å; V585-Y611 PolarHBondContact O-N 2.9Å
586	H	97.5	Very high	93.5	Very high	76 Å²	76	27 Å²	27	35%	0.352	13%	0.133	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	129.4	175.9	-52	177.2	0	0	0	111.1	E564 I566 L584 Y611	E564-H586 PolarHBondContact O-N 3.17Å; I566-H586 PolarHBondContact N-O 3.03Å; L584-H586 WeakPolarHBondContact CD1-O 3.5Å; H586-Y611 AromaticContact CD2-CD2 3.28Å; H586-Y611 WeakPolarHBondContact CD2-CD2 3.3Å; H586-Y611 AromaticContact CD2-CE2 3.9Å; H586-Y611 AromaticContact NE2-CD2 3.56Å; H586-Y611 AromaticContact NE2-CE2 3.69Å
587	L	98	Very high	93.5	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	115.8	173.9	178.3	59.4	0	0	0	111.4	L568 V576 L580 L584 L589 F602 L609 Y611 L612 Y613	L568-L587 HydrophobicContact CD1-CD1 4.36Å; V576-L587 HydrophobicContact CG1-CD2 4.47Å; L580-L587 HydrophobicContact CD1-CD1 4.16Å; L580-L587 HydrophobicContact CD1-CD2 3.59Å; L580-L587 HydrophobicContact CD2-CD1 4.26Å; L584-L587 HydrophobicContact CD2-CB 3.95Å; L584-L587 HydrophobicContact CD2-CD1 4.11Å; L584-L587 HydrophobicContact CD2-CD2 4.45Å; L584-L587 HydrophobicContact CD2-CG 4.39Å; L587-L589 HydrophobicContact CD1-CD1 4.18Å; L587-L589 HydrophobicContact CD1-CG 4.15Å; L587-L589 HydrophobicContact CD2-CD1 3.83Å; L587-L589 HydrophobicContact CG-CD1 3.96Å; L587-L589 HydrophobicContact CG-CG 4.22Å; L587-F602 HydrophobicContact CD2-CE1 4.05Å; L587-L609 HydrophobicContact CB-CD1 3.88Å; L587-L609 HydrophobicContact CB-CD2 4.19Å; L587-L609 HydrophobicContact CD2-CD2 4.48Å; L587-Y611 PolarHBondContact N-O 3.48Å; L587-L612 HydrophobicContact CB-CD1 4.19Å; L587-L612 HydrophobicContact CD2-CD1 3.91Å; L587-L612 HydrophobicContact CG-CD1 4.12Å; L587-Y613 PolarHBondContact O-N 3.39Å
588	V	98.4	Very high	93.4	Very high	26 Å²	26	27.3 Å²	27.3	16%	0.158	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	116.9	176.7	-164.3	0	0	0	0	110	I566 D567 L568 S569 V590 Y613	I566-V588 PolarHBondContact O-N 3.17Å; I566-V588 VanDerWaalsContact O-N 3.1Å; D567-V588 HydrophobicContact CB-CB 4.22Å; D567-V588 HydrophobicContact CB-CG2 4.38Å; L568-V588 CarbonylContact C-O 3.49Å; L568-V588 WeakPolarHBondContact CA-O 3.42Å; L568-V588 WeakPolarHBondContact CB-O 3.46Å; L568-V588 PolarHBondContact N-O 3.23Å; S569-V588 PolarHBondContact N-O 3.21Å; V588-V590 HydrophobicContact CG1-CB 4.32Å; V588-V590 HydrophobicContact CG1-CG2 3.89Å; V588-Y613 HydrophobicContact CG1-CD2 4.18Å; V588-Y613 HydrophobicContact CG2-CD2 3.94Å
589	L	98.3	Very high	93.6	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.131	C	C	.	.			trans	-125.8	19.6	178.2	-80.7	165.4	0	0	0	111.9	L568 F573 V576 L587 N592 Y613 L614 N617	L568-L589 HydrophobicContact CB-CD2 3.71Å; L568-L589 HydrophobicContact CB-CG 4.46Å; L568-L589 HydrophobicContact CD1-CD2 4.06Å; F573-L589 HydrophobicContact CD2-CD2 4.08Å; F573-L589 HydrophobicContact CG-CD2 4.38Å; V576-L589 HydrophobicContact CG1-CD1 4.22Å; V576-L589 HydrophobicContact CG2-CD1 4.18Å; L587-L589 HydrophobicContact CD1-CD1 4.18Å; L587-L589 HydrophobicContact CD1-CG 4.15Å; L587-L589 HydrophobicContact CD2-CD1 3.83Å; L587-L589 HydrophobicContact CG-CD1 3.96Å; L587-L589 HydrophobicContact CG-CG 4.22Å; L589-N592 VanDerWaalsContact C-ND2 3.31Å; L589-N592 PolarHBondContact O-ND2 3.06Å; L589-Y613 CarbonylContact C-O 3.48Å; L589-Y613 WeakPolarHBondContact CA-O 3.03Å; L589-Y613 PolarHBondContact N-O 3.02Å; L589-L614 HydrophobicContact CB-CD2 3.7Å; L589-L614 HydrophobicContact CB-CG 4.47Å; L589-L614 HydrophobicContact CD1-CD2 3.98Å; L589-N617 PolarHBondContact O-ND2 2.04Å
590	V	98.2	Very high	93.8	Very high	30 Å²	30	28.7 Å²	28.7	18%	0.182	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	140.2	-177.9	176.3	0	0	0	0	112.3	S569 H570 V588 N592 Y613 S615 F616	S569-V590 CarbonylContact C-O 3.42Å; S569-V590 WeakPolarHBondContact CA-O 3.42Å; S569-V590 WeakPolarHBondContact CB-O 3.45Å; H570-V590 PolarHBondContact N-O 3.03Å; V588-V590 HydrophobicContact CG1-CB 4.32Å; V588-V590 HydrophobicContact CG1-CG2 3.89Å; V590-N592 VanDerWaalsContact C-N 3.29Å; V590-N592 PolarHBondContact O-N 3.01Å; V590-Y613 PolarHBondContact N-O 3.14Å; V590-S615 CarbonylContact C-O 3.25Å; V590-S615 VanDerWaalsContact CA-O 3.28Å; V590-S615 WeakPolarHBondContact CA-O 3.04Å; V590-F616 HydrophobicContact CG1-CD2 4.26Å
591	G	97.3	Very high	93.8	Very high	24 Å²	24	28.4 Å²	28.4	25%	0.247	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.5	20.9	170.5	0	0	0	0	0	115.5	S615 F616	G591-S615 PolarHBondContact N-O 2.91Å; G591-F616 WeakPolarHBondContact CA-O 3.01Å
592	N	97.9	Very high	93.9	Very high	8 Å²	8	28.2 Å²	28.2	4%	0.043	14%	0.136	C	C	.	.	S	Bend	trans	-87.7	-161.7	173.2	-80.8	-73.7	0	0	0	111	L568 N571 F573 L589 V590 V594 N617	L568-N592 PolarHBondContact O-ND2 3.02Å; N571-N592 WeakPolarHBondContact CA-OD1 3.27Å; N571-N592 VanDerWaalsContact CB-OD1 3.27Å; N571-N592 WeakPolarHBondContact CB-OD1 3.46Å; N571-N592 PolarHBondContact N-OD1 3.14Å; N571-N592 PolarHBondContact O-OD1 3.39Å; N571-N592 VanDerWaalsContact O-OD1 3.07Å; F573-N592 HydrophobicContact CB-CB 4.35Å; F573-N592 WeakPolarHBondContact CD2-OD1 3.28Å; L589-N592 VanDerWaalsContact C-ND2 3.31Å; L589-N592 PolarHBondContact O-ND2 3.06Å; V590-N592 VanDerWaalsContact C-N 3.29Å; V590-N592 PolarHBondContact O-N 3.01Å; N592-V594 HydrophobicContact CB-CG2 4Å; N592-N617 VanDerWaalsContact CA-OD1 3.28Å; N592-N617 WeakPolarHBondContact CA-OD1 3.38Å; N592-N617 WeakPolarHBondContact CB-OD1 3.23Å; N592-N617 PolarHBondContact N-OD1 3.24Å; N592-N617 PolarHBondContact O-OD1 3.27Å
593	K	95.9	Very high	93.8	Very high	58 Å²	58	24.8 Å²	24.8	25%	0.252	12%	0.123	S	C	.	.			trans	-114.4	22.2	178	-62.8	166.3	-171.8	169.9	0	111.5	D572 F573 Y574 E595 N617	D572-K593 IonicContact OD1-NZ 2.83Å; D572-K593 PolarHBondContact OD1-NZ 3.4Å; F573-K593 CarbonylContact O-C 3.52Å; F573-K593 VanDerWaalsContact O-CA 3.29Å; F573-K593 WeakPolarHBondContact O-CA 3.31Å; F573-K593 WeakPolarHBondContact O-CB 3.35Å; F573-K593 PolarHBondContact O-N 3.14Å; Y574-K593 HydrophobicContact CD1-CB 3.91Å; Y574-K593 HydrophobicContact CE1-CB 3.85Å; Y574-K593 HydrophobicContact CE1-CD 3.96Å; Y574-K593 HydrophobicContact CE2-CD 4.45Å; Y574-K593 HydrophobicContact CG-CB 4.47Å; K593-E595 PolarHBondContact O-N 3.16Å; K593-N617 PolarHBondContact N-OD1 2.75Å
594	V	96.3	Very high	93.4	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.121	C	C	.	.			trans	-60.3	111.4	-170	-179	0	0	0	0	110	F573 Y574 V576 N592 R596 L614 N617 R618 L619	F573-V594 HydrophobicContact CB-CG2 4.23Å; F573-V594 PolarHBondContact O-N 3.1Å; F573-V594 VanDerWaalsContact O-N 3.14Å; Y574-V594 CarbonylContact O-C 3.5Å; Y574-V594 WeakPolarHBondContact O-CA 3.43Å; V576-V594 HydrophobicContact CG2-CG1 4.21Å; N592-V594 HydrophobicContact CB-CG2 4Å; V594-R596 VanDerWaalsContact CG1-O 3.24Å; V594-R596 WeakPolarHBondContact CG1-O 3.44Å; V594-L614 HydrophobicContact CG1-CD2 4.35Å; V594-L614 HydrophobicContact CG2-CD2 4.44Å; V594-N617 HydrophobicContact CB-CB 4.1Å; V594-N617 VanDerWaalsContact CB-OD1 3.29Å; V594-N617 WeakPolarHBondContact CB-OD1 3.36Å; V594-N617 WeakPolarHBondContact CG2-OD1 3.28Å; V594-N617 PolarHBondContact N-OD1 3.29Å; V594-R618 CarbonylContact O-C 3.3Å; V594-R618 WeakPolarHBondContact O-CA 3.19Å; V594-R618 WeakPolarHBondContact O-CB 2.91Å; V594-R618 PolarHBondContact O-N 3.33Å; V594-L619 HydrophobicContact CG1-CD2 3.94Å; V594-L619 PolarHBondContact O-N 3.2Å; V594-L619 VanDerWaalsContact O-N 3.11Å
595	E	92.8	Very high	93.2	Very high	49 Å²	49	25.6 Å²	25.6	23%	0.229	13%	0.125	C	C	.	.			trans	-93.8	-22.1	174.4	-73.4	173.5	179.2	0	0	110.7	R147 Y574 K593 R618	R147-E595 IonicContact CZ-OE2 3.73Å; R147-E595 IonicContact NH2-OE1 2.64Å; R147-E595 IonicContact NH2-OE2 3.11Å; R147-E595 PolarHBondContact NH2-OE2 3.48Å; Y574-E595 PolarHBondContact O-N 3.37Å; K593-E595 PolarHBondContact O-N 3.16Å; E595-R618 HydrophobicContact CG-CB 3.79Å
596	R	90.9	Very high	92.7	Very high	111 Å²	111	29.1 Å²	29.1	42%	0.419	14%	0.144	S	C	.	.	B	Isolated β-bridge	trans	-139.9	148.8	-175.2	-60.8	-169.2	171.1	-157.9	-9.8	116.3	Y574 L575 V576 V594 G623	Y574-R596 PolarHBondContact O-N 2.72Å; L575-R596 WeakPolarHBondContact CA-O 3.35Å; L575-R596 HydrophobicContact CB-CB 4.41Å; V576-R596 PolarHBondContact N-O 3.2Å; V594-R596 VanDerWaalsContact CG1-O 3.24Å; V594-R596 WeakPolarHBondContact CG1-O 3.44Å; R596-G623 CarbonylContact C-O 3.38Å; R596-G623 WeakPolarHBondContact CA-O 3.34Å; R596-G623 WeakPolarHBondContact CB-O 3.12Å
597	I	93.6	Very high	92.2	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.158	C	C	.	.	B	Isolated β-bridge	trans	-117	115.3	162.9	-47.7	178	0	0	0	106.2	V576 I601 F602 L614 L619 G623 I624 E625 S628 F629	V576-I597 HydrophobicContact CB-CG2 4.45Å; V576-I597 HydrophobicContact CG2-CB 4.3Å; V576-I597 HydrophobicContact CG2-CG1 3.95Å; V576-I597 HydrophobicContact CG2-CG2 4.07Å; I597-I601 HydrophobicContact CG2-CG2 3.8Å; I597-F602 HydrophobicContact CG2-CE2 4.26Å; I597-L614 HydrophobicContact CD1-CD1 3.73Å; I597-L614 HydrophobicContact CG1-CD1 4.41Å; I597-L619 HydrophobicContact CD1-CD1 4.22Å; I597-L619 HydrophobicContact CD1-CD2 4.4Å; I597-L619 HydrophobicContact CG1-CD2 3.88Å; I597-G623 PolarHBondContact N-O 2.85Å; I597-I624 HydrophobicContact CB-CG1 4.48Å; I597-I624 HydrophobicContact CD1-CD1 4.02Å; I597-I624 HydrophobicContact CD1-CG1 3.99Å; I597-I624 HydrophobicContact CD1-CG2 4.39Å; I597-I624 HydrophobicContact CG1-CG1 4.13Å; I597-E625 PolarHBondContact O-N 3.05Å; I597-S628 PolarHBondContact O-OG 3.21Å; I597-F629 HydrophobicContact CD1-CE1 4.41Å; I597-F629 HydrophobicContact CD1-CZ 3.94Å
598	P	89.2	Confident	91.8	Very high	8 Å²	8	30.2 Å²	30.2	5%	0.052	16%	0.158	C	C	.	.			trans	-66.6	159	176.6	-19.5	32	0	0	0	112.4	I601 S628	P598-I601 HydrophobicContact CB-CB 4.38Å; P598-I601 HydrophobicContact CB-CD1 4.11Å; P598-I601 HydrophobicContact CB-CG1 4.5Å; P598-I601 HydrophobicContact CG-CD1 4Å; P598-I601 HydrophobicContact CG-CG1 4.35Å; P598-I601 WeakPolarHBondContact O-CB 3.25Å; P598-S628 WeakPolarHBondContact O-CA 3.12Å; P598-S628 WeakPolarHBondContact O-CB 3.2Å; P598-S628 PolarHBondContact O-OG 2.81Å
599	G	85.6	Confident	91.6	Very high	2 Å²	2	29 Å²	29	2%	0.021	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	145.5	172.6	0	0	0	0	0	112.2	I601 E625	G599-I601 PolarHBondContact O-N 3.23Å; G599-E625 WeakPolarHBondContact CA-OE2 3.28Å; G599-E625 PolarHBondContact N-OE2 3.13Å
600	Y	85.6	Confident	91.6	Very high	86 Å²	86	31.5 Å²	31.5	34%	0.337	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	14.7	176.7	-55.7	-92.9	0	0	0	115.5	V110 F602 A603 E627 F630	V110-Y600 WeakPolarHBondContact CG2-O 3.29Å; Y600-F602 PolarHBondContact O-N 3.33Å; Y600-A603 WeakPolarHBondContact O-CB 3.3Å; Y600-A603 PolarHBondContact O-N 2.94Å; Y600-E627 WeakPolarHBondContact CA-O 3.33Å; Y600-E627 HydrophobicContact CD1-CB 4.34Å; Y600-E627 HydrophobicContact CD2-CB 3.83Å; Y600-E627 HydrophobicContact CE1-CB 4.07Å; Y600-E627 HydrophobicContact CE1-CG 4.4Å; Y600-E627 HydrophobicContact CE2-CB 3.5Å; Y600-E627 HydrophobicContact CE2-CG 3.82Å; Y600-E627 HydrophobicContact CG-CB 4.23Å; Y600-E627 PolarHBondContact N-O 3.29Å; Y600-F630 HydrophobicContact CD1-CB 3.89Å; Y600-F630 AromaticContact CD1-CD1 3.71Å; Y600-F630 HydrophobicContact CD1-CD1 3.71Å; Y600-F630 HydrophobicContact CD1-CE1 4.4Å; Y600-F630 AromaticContact CD1-CG 3.78Å; Y600-F630 HydrophobicContact CD1-CG 3.78Å; Y600-F630 HydrophobicContact CE1-CB 4.35Å; Y600-F630 HydrophobicContact CE1-CD1 4.17Å; Y600-F630 HydrophobicContact CE1-CD2 4.31Å; Y600-F630 HydrophobicContact CE1-CG 4.01Å
601	I	89.5	Confident	91.6	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.01	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-19.3	-168.7	-161.7	64.5	0	0	0	114.4	V576 I597 P598 G599 H604	V576-I601 HydrophobicContact CG1-CG1 4.19Å; V576-I601 HydrophobicContact CG1-CG2 4.43Å; I597-I601 HydrophobicContact CG2-CG2 3.8Å; P598-I601 HydrophobicContact CB-CB 4.38Å; P598-I601 HydrophobicContact CB-CD1 4.11Å; P598-I601 HydrophobicContact CB-CG1 4.5Å; P598-I601 HydrophobicContact CG-CD1 4Å; P598-I601 HydrophobicContact CG-CG1 4.35Å; P598-I601 WeakPolarHBondContact O-CB 3.25Å; G599-I601 PolarHBondContact O-N 3.23Å; I601-H604 PolarHBondContact O-CE1 2.95Å
602	F	92.2	Very high	91.6	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.8	-0.1	177.6	-53.2	-60.4	0	0	0	113.6	V576 L587 I597 Y600 H604 M605 L609 L612 S628 F629 T632	V576-F602 HydrophobicContact CG1-CE1 3.97Å; V576-F602 HydrophobicContact CG1-CZ 4Å; L587-F602 HydrophobicContact CD2-CE1 4.05Å; I597-F602 HydrophobicContact CG2-CE2 4.26Å; Y600-F602 PolarHBondContact O-N 3.33Å; F602-H604 PolarHBondContact O-N 3.31Å; F602-H604 VanDerWaalsContact O-N 3.09Å; F602-M605 HydrophobicContact CB-SD 4.26Å; F602-M605 HydrophobicContact CD1-CE 3.88Å; F602-M605 HydrophobicContact CD1-SD 3.94Å; F602-M605 WeakPolarHBondContact O-CB 3.41Å; F602-M605 PolarHBondContact O-N 3.4Å; F602-M605 VanDerWaalsContact O-N 3.1Å; F602-L609 HydrophobicContact CD1-CD2 3.97Å; F602-L609 HydrophobicContact CE1-CD2 3.86Å; F602-L609 HydrophobicContact CZ-CD2 4.35Å; F602-L612 HydrophobicContact CE2-CD2 3.87Å; F602-L612 HydrophobicContact CZ-CD1 4.39Å; F602-L612 HydrophobicContact CZ-CD2 3.65Å; F602-S628 VanDerWaalsContact CD2-O 3.3Å; F602-S628 WeakPolarHBondContact CD2-O 3.43Å; F602-F629 HydrophobicContact CE2-CD1 4.21Å; F602-F629 HydrophobicContact CE2-CE1 4.41Å; F602-T632 HydrophobicContact CB-CG2 3.51Å; F602-T632 HydrophobicContact CD2-CG2 3.71Å; F602-T632 HydrophobicContact CG-CG2 3.76Å
603	A	88	Confident	91.6	Very high	11 Å²	11	34.3 Å²	34.3	9%	0.091	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-18.2	-168.9	0	0	0	0	0	115	Y600 F630	Y600-A603 WeakPolarHBondContact O-CB 3.3Å; Y600-A603 PolarHBondContact O-N 2.94Å; A603-F630 HydrophobicContact CB-CD1 3.87Å; A603-F630 HydrophobicContact CB-CE1 4.46Å; A603-F630 PolarHBondContact N-O 3.02Å
604	H	85.1	Confident	91.7	Very high	12 Å²	12	31.6 Å²	31.6	6%	0.056	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-10.8	177.7	62	-77.9	0	0	0	114.7	L580 K582 I601 F602	L580-H604 PolarHBondContact O-NE2 3.49Å; K582-H604 WeakPolarHBondContact CD-O 3.33Å; K582-H604 VanDerWaalsContact CE-O 3.23Å; K582-H604 WeakPolarHBondContact CE-O 3.39Å; K582-H604 VanDerWaalsContact CG-O 3.24Å; K582-H604 WeakPolarHBondContact CG-O 3.45Å; I601-H604 PolarHBondContact O-CE1 2.95Å; F602-H604 PolarHBondContact O-N 3.31Å; F602-H604 VanDerWaalsContact O-N 3.09Å
605	M	89.9	Confident	91.8	Very high	17 Å²	17	32 Å²	32	8%	0.084	15%	0.154	C	C	.	.			trans	-74.2	145.1	-173.5	-62.7	-178.1	176	0	0	112.5	L580 K582 L584 F602 L609	L580-M605 HydrophobicContact CB-CE 3.78Å; L580-M605 HydrophobicContact CD1-CE 4.07Å; K582-M605 WeakPolarHBondContact O-CA 3.4Å; L584-M605 HydrophobicContact CB-CE 4.28Å; L584-M605 HydrophobicContact CB-SD 4.27Å; L584-M605 HydrophobicContact CD2-CE 4.04Å; F602-M605 HydrophobicContact CB-SD 4.26Å; F602-M605 HydrophobicContact CD1-CE 3.88Å; F602-M605 HydrophobicContact CD1-SD 3.94Å; F602-M605 WeakPolarHBondContact O-CB 3.41Å; F602-M605 PolarHBondContact O-N 3.4Å; F602-M605 VanDerWaalsContact O-N 3.1Å; M605-L609 HydrophobicContact SD-CB 3.99Å; M605-L609 HydrophobicContact SD-CD1 4.17Å
606	D	85.6	Confident	92	Very high	91 Å²	91	35.3 Å²	35.3	49%	0.487	17%	0.167	S	C	.	.	S	Bend	trans	-159	109.7	-167.2	-172.9	-10.3	0	0	0	108.3	K582 G608	K582-D606 HydrophobicContact CD-CB 4.27Å; K582-D606 WeakPolarHBondContact CE-OD2 3.5Å; K582-D606 HydrophobicContact CG-CB 4.07Å; K582-D606 IonicContact NZ-OD2 3.15Å; K582-D606 PolarHBondContact NZ-OD2 3.11Å; K582-D606 PolarHBondContact O-N 3.19Å; D606-G608 VanDerWaalsContact C-N 3.34Å; D606-G608 VanDerWaalsContact CA-N 3.33Å
607	P	87.9	Confident	92.3	Very high	99 Å²	99	30.5 Å²	30.5	64%	0.643	15%	0.15	S	C	*	.	S	Bend	cis	-72.7	-15	15.1	31	-37.6	0	0	0	115.6
608	G	89.1	Confident	92.4	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.01	17%	0.17	C	C	.	.			trans	128.9	167.5	-177.4	0	0	0	0	0	111.7	D606	D606-G608 VanDerWaalsContact C-N 3.34Å; D606-G608 VanDerWaalsContact CA-N 3.33Å
609	L	95.8	Very high	92.7	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.167	C	C	.	.			trans	-85	120.6	-177.5	-165.3	73.5	0	0	0	110.7	L584 V585 L587 F602 M605 L612 T632 S635 M636	L584-L609 HydrophobicContact CB-CD1 4.42Å; L584-L609 HydrophobicContact CD2-CD1 4.13Å; L584-L609 HydrophobicContact CG-CD1 3.99Å; V585-L609 WeakPolarHBondContact O-CD1 3.49Å; L587-L609 HydrophobicContact CB-CD1 3.88Å; L587-L609 HydrophobicContact CB-CD2 4.19Å; L587-L609 HydrophobicContact CD2-CD2 4.48Å; F602-L609 HydrophobicContact CD1-CD2 3.97Å; F602-L609 HydrophobicContact CE1-CD2 3.86Å; F602-L609 HydrophobicContact CZ-CD2 4.35Å; M605-L609 HydrophobicContact SD-CB 3.99Å; M605-L609 HydrophobicContact SD-CD1 4.17Å; L609-L612 HydrophobicContact CD2-CB 3.94Å; L609-L612 HydrophobicContact CD2-CD1 4.17Å; L609-L612 HydrophobicContact CD2-CD2 4.22Å; L609-L612 HydrophobicContact CD2-CG 4.34Å; L609-T632 HydrophobicContact CB-CG2 4.15Å; L609-S635 CarbonylContact O-C 3.56Å; L609-M636 HydrophobicContact CB-CE 4.48Å; L609-M636 HydrophobicContact CD2-CE 4.2Å; L609-M636 HydrophobicContact CG-CE 4.48Å; L609-M636 WeakPolarHBondContact O-CA 3.32Å; L609-M636 PolarHBondContact O-N 3.28Å
610	E	96.7	Very high	92.7	Very high	52 Å²	52	38 Å²	38	24%	0.243	18%	0.181	C	C	.	.			trans	-95.5	-32.3	-179.8	-62.8	177.9	-174.1	0	0	112.5	V585 S635 M637 E638	V585-E610 HydrophobicContact CG1-CB 3.78Å; V585-E610 VanDerWaalsContact CG1-CD 3.45Å; V585-E610 HydrophobicContact CG1-CG 3.61Å; V585-E610 PolarHBondContact O-N 3.06Å; E610-S635 WeakPolarHBondContact CA-O 3.38Å; E610-S635 WeakPolarHBondContact CG-O 3.49Å; E610-M637 HydrophobicContact CB-CG 4.17Å; E610-M637 HydrophobicContact CG-CE 4.04Å; E610-M637 HydrophobicContact CG-CG 4.47Å; E610-M637 WeakPolarHBondContact O-CA 3.44Å; E610-M637 PolarHBondContact O-N 2.83Å; E610-E638 PolarHBondContact O-N 3.13Å
611	Y	98.1	Very high	92.2	Very high	56 Å²	56	35.5 Å²	35.5	22%	0.22	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	121.4	-176.4	-55.9	-104.7	0	0	0	110.9	V585 H586 L587 Y613 E638	V585-Y611 PolarHBondContact O-N 2.9Å; H586-Y611 AromaticContact CD2-CD2 3.28Å; H586-Y611 WeakPolarHBondContact CD2-CD2 3.3Å; H586-Y611 AromaticContact CD2-CE2 3.9Å; H586-Y611 AromaticContact NE2-CD2 3.56Å; H586-Y611 AromaticContact NE2-CE2 3.69Å; L587-Y611 PolarHBondContact N-O 3.48Å; Y611-Y613 WeakPolarHBondContact CD1-OH 3.03Å; Y611-E638 HydrophobicContact CD1-CB 3.78Å; Y611-E638 HydrophobicContact CD1-CG 3.73Å; Y611-E638 HydrophobicContact CE1-CB 4.29Å; Y611-E638 HydrophobicContact CE1-CG 3.71Å
612	L	98.1	Very high	91.8	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	110.2	-179.6	177.8	54.7	0	0	0	111.4	L587 F602 L609 L614 F629 M636 E638 L639 C640	L587-L612 HydrophobicContact CB-CD1 4.19Å; L587-L612 HydrophobicContact CD2-CD1 3.91Å; L587-L612 HydrophobicContact CG-CD1 4.12Å; F602-L612 HydrophobicContact CE2-CD2 3.87Å; F602-L612 HydrophobicContact CZ-CD1 4.39Å; F602-L612 HydrophobicContact CZ-CD2 3.65Å; L609-L612 HydrophobicContact CD2-CB 3.94Å; L609-L612 HydrophobicContact CD2-CD1 4.17Å; L609-L612 HydrophobicContact CD2-CD2 4.22Å; L609-L612 HydrophobicContact CD2-CG 4.34Å; L612-L614 HydrophobicContact CD1-CD1 3.93Å; L612-L614 HydrophobicContact CD1-CG 3.99Å; L612-L614 HydrophobicContact CD2-CD1 3.98Å; L612-L614 HydrophobicContact CG-CD1 3.92Å; L612-L614 HydrophobicContact CG-CG 4.29Å; L612-F629 HydrophobicContact CD2-CE1 4.01Å; L612-M636 HydrophobicContact CB-CE 3.87Å; L612-M636 HydrophobicContact CB-SD 3.89Å; L612-M636 HydrophobicContact CD2-CE 4.14Å; L612-E638 PolarHBondContact N-O 3.02Å; L612-L639 HydrophobicContact CB-CD1 3.95Å; L612-L639 HydrophobicContact CD2-CD1 3.85Å; L612-L639 HydrophobicContact CG-CD1 3.89Å; L612-C640 PolarHBondContact O-N 3.33Å
613	Y	98.4	Very high	91.3	Very high	66 Å²	66	43.9 Å²	43.9	26%	0.259	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	101.9	-179.1	-52.4	-33.9	0	0	0	111.3	L587 V588 L589 V590 Y611 E638 C640	L587-Y613 PolarHBondContact O-N 3.39Å; V588-Y613 HydrophobicContact CG1-CD2 4.18Å; V588-Y613 HydrophobicContact CG2-CD2 3.94Å; L589-Y613 CarbonylContact C-O 3.48Å; L589-Y613 WeakPolarHBondContact CA-O 3.03Å; L589-Y613 PolarHBondContact N-O 3.02Å; V590-Y613 PolarHBondContact N-O 3.14Å; Y611-Y613 WeakPolarHBondContact CD1-OH 3.03Å; Y613-E638 HydrophobicContact CE1-CB 4.26Å; Y613-E638 PolarHBondContact OH-OE2 3.05Å; Y613-C640 HydrophobicContact CD1-CB 3.89Å
614	L	97.9	Very high	91.4	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.222	C	C	.	.			trans	-110.8	16.9	178.7	-79.4	162.9	0	0	0	112.3	V576 L589 V594 I597 L612 N617 L619 C640 L641 N644	V576-L614 HydrophobicContact CG2-CD2 4.23Å; L589-L614 HydrophobicContact CB-CD2 3.7Å; L589-L614 HydrophobicContact CB-CG 4.47Å; L589-L614 HydrophobicContact CD1-CD2 3.98Å; V594-L614 HydrophobicContact CG1-CD2 4.35Å; V594-L614 HydrophobicContact CG2-CD2 4.44Å; I597-L614 HydrophobicContact CD1-CD1 3.73Å; I597-L614 HydrophobicContact CG1-CD1 4.41Å; L612-L614 HydrophobicContact CD1-CD1 3.93Å; L612-L614 HydrophobicContact CD1-CG 3.99Å; L612-L614 HydrophobicContact CD2-CD1 3.98Å; L612-L614 HydrophobicContact CG-CD1 3.92Å; L612-L614 HydrophobicContact CG-CG 4.29Å; L614-N617 WeakPolarHBondContact O-CB 3.32Å; L614-N617 PolarHBondContact O-ND2 3.15Å; L614-L619 HydrophobicContact CB-CD1 4.32Å; L614-L619 HydrophobicContact CD1-CD1 4.37Å; L614-C640 CarbonylContact C-O 3.36Å; L614-C640 WeakPolarHBondContact CA-O 3.43Å; L614-C640 PolarHBondContact N-O 3.3Å; L614-L641 HydrophobicContact CB-CD2 3.9Å; L614-L641 HydrophobicContact CD1-CD2 4.02Å; L614-N644 PolarHBondContact O-ND2 2.87Å
615	S	97.5	Very high	91.4	Very high	10 Å²	10	46 Å²	46	7%	0.07	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	149.7	179.1	-45.1	0	0	0	0	113.2	V590 G591 N617 C640 D642	V590-S615 CarbonylContact C-O 3.25Å; V590-S615 VanDerWaalsContact CA-O 3.28Å; V590-S615 WeakPolarHBondContact CA-O 3.04Å; G591-S615 PolarHBondContact N-O 2.91Å; S615-N617 VanDerWaalsContact C-N 3.33Å; S615-N617 PolarHBondContact O-N 3Å; S615-N617 PolarHBondContact O-ND2 3.02Å; S615-C640 PolarHBondContact N-O 2.94Å; S615-C640 WeakPolarHBondContact OG-CB 3.29Å; S615-D642 CarbonylContact C-O 3.19Å; S615-D642 VanDerWaalsContact CA-O 3.25Å; S615-D642 WeakPolarHBondContact CA-O 3.42Å; S615-D642 VanDerWaalsContact CB-OD1 3.23Å; S615-D642 WeakPolarHBondContact CB-OD1 3.44Å; S615-D642 PolarHBondContact OG-OD1 3.04Å
616	F	97.6	Very high	91.2	Very high	117 Å²	117	48.5 Å²	48.5	51%	0.513	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	38.5	178.2	-60.4	-91	0	0	0	114.5	V590 G591 D642 H643	V590-F616 HydrophobicContact CG1-CD2 4.26Å; G591-F616 WeakPolarHBondContact CA-O 3.01Å; F616-D642 PolarHBondContact N-O 3.4Å; F616-H643 HydrophobicContact CB-CB 4.43Å; F616-H643 HydrophobicContact CD1-CB 3.53Å; F616-H643 AromaticContact CD1-CG 3.85Å; F616-H643 HydrophobicContact CD2-CB 4.17Å; F616-H643 HydrophobicContact CE1-CB 3.68Å; F616-H643 AromaticContact CE1-CD2 3.58Å; F616-H643 AromaticContact CE1-CG 3.43Å; F616-H643 VanDerWaalsContact CE1-CG 3.43Å; F616-H643 AromaticContact CE1-ND1 3.94Å; F616-H643 HydrophobicContact CE2-CB 4.29Å; F616-H643 AromaticContact CE2-ND1 3.83Å; F616-H643 HydrophobicContact CG-CB 3.78Å; F616-H643 HydrophobicContact CZ-CB 4.06Å; F616-H643 AromaticContact CZ-CD2 3.87Å; F616-H643 AromaticContact CZ-CE1 3.89Å; F616-H643 AromaticContact CZ-CG 3.53Å; F616-H643 AromaticContact CZ-ND1 3.52Å
617	N	97.6	Very high	91.3	Very high	10 Å²	10	47.9 Å²	47.9	5%	0.053	24%	0.242	C	C	.	.	S	Bend	trans	-106.9	-159.9	174	-83.9	-79	0	0	0	111.4	L589 N592 K593 V594 L614 S615 N644	L589-N617 PolarHBondContact O-ND2 2.04Å; N592-N617 VanDerWaalsContact CA-OD1 3.28Å; N592-N617 WeakPolarHBondContact CA-OD1 3.38Å; N592-N617 WeakPolarHBondContact CB-OD1 3.23Å; N592-N617 PolarHBondContact N-OD1 3.24Å; N592-N617 PolarHBondContact O-OD1 3.27Å; K593-N617 PolarHBondContact N-OD1 2.75Å; V594-N617 HydrophobicContact CB-CB 4.1Å; V594-N617 VanDerWaalsContact CB-OD1 3.29Å; V594-N617 WeakPolarHBondContact CB-OD1 3.36Å; V594-N617 WeakPolarHBondContact CG2-OD1 3.28Å; V594-N617 PolarHBondContact N-OD1 3.29Å; L614-N617 WeakPolarHBondContact O-CB 3.32Å; L614-N617 PolarHBondContact O-ND2 3.15Å; S615-N617 VanDerWaalsContact C-N 3.33Å; S615-N617 PolarHBondContact O-N 3Å; S615-N617 PolarHBondContact O-ND2 3.02Å; N617-N644 VanDerWaalsContact CA-OD1 3.32Å; N617-N644 WeakPolarHBondContact CA-OD1 3.46Å; N617-N644 WeakPolarHBondContact CB-OD1 3.15Å; N617-N644 PolarHBondContact O-OD1 3.37Å
618	R	95.8	Very high	91.4	Very high	110 Å²	110	43.2 Å²	43.2	42%	0.415	21%	0.211	S	C	.	.			trans	-117.5	4.8	-172.5	-63.4	-176.3	175.4	-162.4	-3	114.3	V594 E595 D620 N644 Q645	V594-R618 CarbonylContact O-C 3.3Å; V594-R618 WeakPolarHBondContact O-CA 3.19Å; V594-R618 WeakPolarHBondContact O-CB 2.91Å; V594-R618 PolarHBondContact O-N 3.33Å; E595-R618 HydrophobicContact CG-CB 3.79Å; R618-D620 PolarHBondContact O-N 3.44Å; R618-N644 PolarHBondContact N-OD1 2.96Å; R618-Q645 PolarHBondContact O-NE2 2.85Å
619	L	94.7	Very high	91.6	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.211	C	C	.	.			trans	-52.4	122.2	-176.5	-60.6	168.1	0	0	0	111.1	V594 I597 L614 I624 L641 N644 Q645 L646	V594-L619 HydrophobicContact CG1-CD2 3.94Å; V594-L619 PolarHBondContact O-N 3.2Å; V594-L619 VanDerWaalsContact O-N 3.11Å; I597-L619 HydrophobicContact CD1-CD1 4.22Å; I597-L619 HydrophobicContact CD1-CD2 4.4Å; I597-L619 HydrophobicContact CG1-CD2 3.88Å; L614-L619 HydrophobicContact CB-CD1 4.32Å; L614-L619 HydrophobicContact CD1-CD1 4.37Å; L619-I624 HydrophobicContact CD1-CD1 4.4Å; L619-I624 HydrophobicContact CD2-CG1 4.21Å; L619-L641 HydrophobicContact CD1-CD2 3.66Å; L619-N644 HydrophobicContact CB-CB 4.25Å; L619-N644 WeakPolarHBondContact CB-OD1 3.23Å; L619-N644 WeakPolarHBondContact CG-OD1 3.17Å; L619-N644 PolarHBondContact N-OD1 3.1Å; L619-Q645 CarbonylContact O-C 3.32Å; L619-Q645 WeakPolarHBondContact O-CA 3.24Å; L619-Q645 WeakPolarHBondContact O-CB 3.21Å; L619-Q645 PolarHBondContact O-N 3.09Å; L619-L646 HydrophobicContact CB-CD2 3.84Å; L619-L646 PolarHBondContact O-N 2.74Å
620	D	85.6	Confident	91.2	Very high	58 Å²	58	47.7 Å²	47.7	31%	0.31	23%	0.231	S	C	.	.			trans	-99.4	-21	-179.7	54.2	19.1	0	0	0	113.8	R618 E622 G623 Q645 L646 I647	R618-D620 PolarHBondContact O-N 3.44Å; D620-E622 PolarHBondContact OD1-N 2.54Å; D620-G623 PolarHBondContact OD1-N 3.27Å; D620-Q645 HydrophobicContact CB-CB 4.41Å; D620-L646 WeakPolarHBondContact O-CA 3.04Å; D620-I647 PolarHBondContact O-N 2.99Å
621	G	76.1	Confident	90.7	Very high	33 Å²	33	46.9 Å²	46.9	34%	0.34	24%	0.236	S	C	.	.	S	Bend	trans	105.2	-18.8	-178	0	0	0	0	0	113.7
622	E	81.2	Confident	90.4	Very high	174 Å²	174	44.2 Å²	44.2	81%	0.813	23%	0.226	S	C	*	.	S	Bend	trans	-81.9	-24.4	166.4	-68.8	-174.2	-170	0	0	111	D620 I624	D620-E622 PolarHBondContact OD1-N 2.54Å; E622-I624 VanDerWaalsContact C-N 3.31Å; E622-I624 PolarHBondContact O-N 3.12Å
623	G	80.5	Confident	90.1	Very high	4 Å²	4	45.4 Å²	45.4	4%	0.041	23%	0.23	C	C	.	.	S	Bend	trans	-78.7	1.2	173.3	0	0	0	0	0	116.4	R596 I597 D620	R596-G623 CarbonylContact C-O 3.38Å; R596-G623 WeakPolarHBondContact CA-O 3.34Å; R596-G623 WeakPolarHBondContact CB-O 3.12Å; I597-G623 PolarHBondContact N-O 2.85Å; D620-G623 PolarHBondContact OD1-N 3.27Å
624	I	90.4	Very high	89.6	Confident	20 Å²	20	48.1 Å²	48.1	10%	0.103	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-108.7	117.5	175.7	-56.4	178	0	0	0	107.6	I597 L619 E622 F629 L646 P650	I597-I624 HydrophobicContact CB-CG1 4.48Å; I597-I624 HydrophobicContact CD1-CD1 4.02Å; I597-I624 HydrophobicContact CD1-CG1 3.99Å; I597-I624 HydrophobicContact CD1-CG2 4.39Å; I597-I624 HydrophobicContact CG1-CG1 4.13Å; L619-I624 HydrophobicContact CD1-CD1 4.4Å; L619-I624 HydrophobicContact CD2-CG1 4.21Å; E622-I624 VanDerWaalsContact C-N 3.31Å; E622-I624 PolarHBondContact O-N 3.12Å; I624-F629 HydrophobicContact CG2-CE2 4Å; I624-L646 HydrophobicContact CD1-CD2 3.85Å; I624-P650 HydrophobicContact CD1-CB 4.34Å; I624-P650 HydrophobicContact CD1-CG 3.98Å; I624-P650 HydrophobicContact CG2-CB 4.5Å
625	E	86	Confident	89.5	Confident	48 Å²	48	48.8 Å²	48.8	22%	0.224	25%	0.25	C	C	.	.			trans	-78.3	149.3	179.7	-71.6	164.2	-151	0	0	110.1	I597 G599 E627 S628	I597-E625 PolarHBondContact O-N 3.05Å; G599-E625 WeakPolarHBondContact CA-OE2 3.28Å; G599-E625 PolarHBondContact N-OE2 3.13Å; E625-E627 PolarHBondContact O-N 2.04Å; E625-E627 VanDerWaalsContact O-N 3.12Å; E625-S628 PolarHBondContact N-OG 3.36Å; E625-S628 VanDerWaalsContact N-OG 3.11Å; E625-S628 VanDerWaalsContact O-CB 3.25Å; E625-S628 WeakPolarHBondContact O-CB 3.37Å; E625-S628 PolarHBondContact O-N 2.84Å; E625-S628 PolarHBondContact O-OG 3.12Å; E625-S628 VanDerWaalsContact O-OG 3.04Å
626	P	85.4	Confident	89.4	Confident	69 Å²	69	48.3 Å²	48.3	45%	0.448	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-34.4	-173.8	-24.9	34	0	0	0	113.5	L651	P626-L651 HydrophobicContact CB-CD1 4Å; P626-L651 HydrophobicContact CG-CD1 4.24Å
627	E	86.6	Confident	89.3	Confident	79 Å²	79	45.2 Å²	45.2	37%	0.369	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	9.5	-178.7	-53.4	89.1	164.4	0	0	113.4	Y600 E625 F629 F630	Y600-E627 WeakPolarHBondContact CA-O 3.33Å; Y600-E627 HydrophobicContact CD1-CB 4.34Å; Y600-E627 HydrophobicContact CD2-CB 3.83Å; Y600-E627 HydrophobicContact CE1-CB 4.07Å; Y600-E627 HydrophobicContact CE1-CG 4.4Å; Y600-E627 HydrophobicContact CE2-CB 3.5Å; Y600-E627 HydrophobicContact CE2-CG 3.82Å; Y600-E627 HydrophobicContact CG-CB 4.23Å; Y600-E627 PolarHBondContact N-O 3.29Å; E625-E627 PolarHBondContact O-N 2.04Å; E625-E627 VanDerWaalsContact O-N 3.12Å; E627-F629 VanDerWaalsContact C-N 3.26Å; E627-F629 PolarHBondContact O-N 3.34Å; E627-F630 WeakPolarHBondContact O-CB 3.05Å; E627-F630 PolarHBondContact O-N 3.25Å
628	S	90.4	Very high	89.3	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-37.9	-178.8	-76.3	0	0	0	0	114.2	I597 P598 F602 E625 F630	I597-S628 PolarHBondContact O-OG 3.21Å; P598-S628 WeakPolarHBondContact O-CA 3.12Å; P598-S628 WeakPolarHBondContact O-CB 3.2Å; P598-S628 PolarHBondContact O-OG 2.81Å; F602-S628 VanDerWaalsContact CD2-O 3.3Å; F602-S628 WeakPolarHBondContact CD2-O 3.43Å; E625-S628 PolarHBondContact N-OG 3.36Å; E625-S628 VanDerWaalsContact N-OG 3.11Å; E625-S628 VanDerWaalsContact O-CB 3.25Å; E625-S628 WeakPolarHBondContact O-CB 3.37Å; E625-S628 PolarHBondContact O-N 2.84Å; E625-S628 PolarHBondContact O-OG 3.12Å; E625-S628 VanDerWaalsContact O-OG 3.04Å; S628-F630 VanDerWaalsContact C-N 3.33Å
629	F	92.4	Very high	89.3	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	6.3	-179.2	-63.8	-67.7	0	0	0	113.4	I597 F602 L612 I624 E627 G631 T632 Y633 L639 P650 M656	I597-F629 HydrophobicContact CD1-CE1 4.41Å; I597-F629 HydrophobicContact CD1-CZ 3.94Å; F602-F629 HydrophobicContact CE2-CD1 4.21Å; F602-F629 HydrophobicContact CE2-CE1 4.41Å; L612-F629 HydrophobicContact CD2-CE1 4.01Å; I624-F629 HydrophobicContact CG2-CE2 4Å; E627-F629 VanDerWaalsContact C-N 3.26Å; E627-F629 PolarHBondContact O-N 3.34Å; F629-G631 PolarHBondContact O-N 2.93Å; F629-T632 PolarHBondContact O-N 3.35Å; F629-T632 PolarHBondContact O-OG1 2.85Å; F629-Y633 HydrophobicContact CB-CD1 4.32Å; F629-Y633 HydrophobicContact CB-CE1 3.62Å; F629-Y633 WeakPolarHBondContact O-CE1 3.47Å; F629-L639 HydrophobicContact CE1-CD1 4.3Å; F629-L639 HydrophobicContact CE1-CD2 4.25Å; F629-L639 HydrophobicContact CZ-CD2 4.34Å; F629-P650 HydrophobicContact CE2-CB 4Å; F629-M656 HydrophobicContact CB-CE 3.63Å; F629-M656 HydrophobicContact CD1-CE 3.71Å; F629-M656 HydrophobicContact CD2-CE 4.11Å; F629-M656 HydrophobicContact CE1-CE 4.41Å; F629-M656 HydrophobicContact CG-CE 3.54Å
630	F	88.3	Confident	89.5	Confident	96 Å²	96	42.6 Å²	42.6	42%	0.421	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	129	175.7	-170.9	-85.5	0	0	0	110.7	Y600 A603 E627 S628 Y633	Y600-F630 HydrophobicContact CD1-CB 3.89Å; Y600-F630 AromaticContact CD1-CD1 3.71Å; Y600-F630 HydrophobicContact CD1-CD1 3.71Å; Y600-F630 HydrophobicContact CD1-CE1 4.4Å; Y600-F630 AromaticContact CD1-CG 3.78Å; Y600-F630 HydrophobicContact CD1-CG 3.78Å; Y600-F630 HydrophobicContact CE1-CB 4.35Å; Y600-F630 HydrophobicContact CE1-CD1 4.17Å; Y600-F630 HydrophobicContact CE1-CD2 4.31Å; Y600-F630 HydrophobicContact CE1-CG 4.01Å; A603-F630 HydrophobicContact CB-CD1 3.87Å; A603-F630 HydrophobicContact CB-CE1 4.46Å; A603-F630 PolarHBondContact N-O 3.02Å; E627-F630 WeakPolarHBondContact O-CB 3.05Å; E627-F630 PolarHBondContact O-N 3.25Å; S628-F630 VanDerWaalsContact C-N 3.33Å; F630-Y633 HydrophobicContact CD2-CE2 4.29Å
631	G	86	Confident	90	Very high	35 Å²	35	39.8 Å²	39.8	36%	0.361	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	97.2	-17.7	-171	0	0	0	0	0	114.6	F629 S635	F629-G631 PolarHBondContact O-N 2.93Å; G631-S635 PolarHBondContact O-OG 3.07Å
632	T	92.4	Very high	91.1	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-11.8	179.2	75	0	0	0	0	114.6	F602 L609 F629 H634 S635 M636	F602-T632 HydrophobicContact CB-CG2 3.51Å; F602-T632 HydrophobicContact CD2-CG2 3.71Å; F602-T632 HydrophobicContact CG-CG2 3.76Å; L609-T632 HydrophobicContact CB-CG2 4.15Å; F629-T632 PolarHBondContact O-N 3.35Å; F629-T632 PolarHBondContact O-OG1 2.85Å; T632-H634 PolarHBondContact O-N 2.95Å; T632-S635 WeakPolarHBondContact CA-OG 3.09Å; T632-S635 PolarHBondContact O-N 3.13Å; T632-S635 PolarHBondContact O-OG 2.99Å; T632-M636 HydrophobicContact CG2-CE 3.86Å; T632-M636 WeakPolarHBondContact O-CB 3.33Å; T632-M636 PolarHBondContact O-N 3.15Å
633	Y	90.5	Very high	91.8	Very high	24 Å²	24	33.3 Å²	33.3	9%	0.094	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-24.4	-174	-57.7	-31.7	0	0	0	115.7	F629 F630 G652 E655 M656 T657	F629-Y633 HydrophobicContact CB-CD1 4.32Å; F629-Y633 HydrophobicContact CB-CE1 3.62Å; F629-Y633 WeakPolarHBondContact O-CE1 3.47Å; F630-Y633 HydrophobicContact CD2-CE2 4.29Å; Y633-G652 WeakPolarHBondContact CE1-O 3.39Å; Y633-E655 HydrophobicContact CD1-CB 4Å; Y633-E655 HydrophobicContact CD2-CB 4.09Å; Y633-E655 WeakPolarHBondContact CD2-OE2 3.28Å; Y633-E655 HydrophobicContact CE1-CB 4.22Å; Y633-E655 HydrophobicContact CE2-CB 4.31Å; Y633-E655 WeakPolarHBondContact CE2-OE2 3.11Å; Y633-E655 HydrophobicContact CG-CB 3.93Å; Y633-M656 HydrophobicContact CD1-CG 4.14Å; Y633-M656 CarbonylContact O-C 3.58Å; Y633-M656 WeakPolarHBondContact O-CA 3.02Å; Y633-T657 PolarHBondContact O-N 3.46Å; Y633-T657 PolarHBondContact O-OG1 2.82Å
634	H	89.6	Confident	92.6	Very high	124 Å²	124	33.5 Å²	33.5	57%	0.574	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.2	2.2	179.5	-63.3	107	0	0	0	113.7	T632 N658	T632-H634 PolarHBondContact O-N 2.95Å; H634-N658 PolarHBondContact O-ND2 3.06Å
635	S	94.1	Very high	92.9	Very high	13 Å²	13	35.4 Å²	35.4	9%	0.091	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.3	-35.9	-173.3	39.8	0	0	0	0	113.5	L609 E610 G631 T632 M637	L609-S635 CarbonylContact O-C 3.56Å; E610-S635 WeakPolarHBondContact CA-O 3.38Å; E610-S635 WeakPolarHBondContact CG-O 3.49Å; G631-S635 PolarHBondContact O-OG 3.07Å; T632-S635 WeakPolarHBondContact CA-OG 3.09Å; T632-S635 PolarHBondContact O-N 3.13Å; T632-S635 PolarHBondContact O-OG 2.99Å; S635-M637 PolarHBondContact O-N 3.47Å
636	M	95.8	Very high	93.3	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.171	C	C	.	.			trans	-56.5	120.3	-178.5	-169.4	67.1	56.1	0	0	111.6	L609 L612 T632 L639 M656 N658 L659	L609-M636 HydrophobicContact CB-CE 4.48Å; L609-M636 HydrophobicContact CD2-CE 4.2Å; L609-M636 HydrophobicContact CG-CE 4.48Å; L609-M636 WeakPolarHBondContact O-CA 3.32Å; L609-M636 PolarHBondContact O-N 3.28Å; L612-M636 HydrophobicContact CB-CE 3.87Å; L612-M636 HydrophobicContact CB-SD 3.89Å; L612-M636 HydrophobicContact CD2-CE 4.14Å; T632-M636 HydrophobicContact CG2-CE 3.86Å; T632-M636 WeakPolarHBondContact O-CB 3.33Å; T632-M636 PolarHBondContact O-N 3.15Å; M636-L639 HydrophobicContact CG-CB 4.28Å; M636-L639 HydrophobicContact SD-CB 4.22Å; M636-M656 HydrophobicContact CB-SD 4.15Å; M636-M656 HydrophobicContact CG-SD 3.9Å; M636-N658 CarbonylContact O-C 3.6Å; M636-L659 HydrophobicContact CG-CD1 3.79Å; M636-L659 VanDerWaalsContact O-CA 3.27Å; M636-L659 WeakPolarHBondContact O-CA 3.48Å; M636-L659 PolarHBondContact O-N 3.02Å; M636-L659 VanDerWaalsContact O-N 3.1Å
637	M	95.3	Very high	93.6	Very high	52 Å²	52	32.7 Å²	32.7	26%	0.256	16%	0.164	S	C	.	.			trans	-106.8	-40.8	175.8	-60.2	-167.5	-168.1	0	0	112.1	E610 S635 N658 H660 L661	E610-M637 HydrophobicContact CB-CG 4.17Å; E610-M637 HydrophobicContact CG-CE 4.04Å; E610-M637 HydrophobicContact CG-CG 4.47Å; E610-M637 WeakPolarHBondContact O-CA 3.44Å; E610-M637 PolarHBondContact O-N 2.83Å; S635-M637 PolarHBondContact O-N 3.47Å; M637-N658 WeakPolarHBondContact CA-O 3.49Å; M637-H660 PolarHBondContact O-N 2.95Å; M637-L661 PolarHBondContact O-N 3.03Å; M637-L661 VanDerWaalsContact O-N 3.11Å
638	E	97.4	Very high	93.8	Very high	56 Å²	56	33.9 Å²	33.9	26%	0.262	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	122.1	178.8	-54.9	-160.1	170.6	0	0	112.5	E610 Y611 L612 Y613 L661	E610-E638 PolarHBondContact O-N 3.13Å; Y611-E638 HydrophobicContact CD1-CB 3.78Å; Y611-E638 HydrophobicContact CD1-CG 3.73Å; Y611-E638 HydrophobicContact CE1-CB 4.29Å; Y611-E638 HydrophobicContact CE1-CG 3.71Å; L612-E638 PolarHBondContact N-O 3.02Å; Y613-E638 HydrophobicContact CE1-CB 4.26Å; Y613-E638 PolarHBondContact OH-OE2 3.05Å; E638-L661 WeakPolarHBondContact CA-O 3.1Å; E638-L661 HydrophobicContact CB-CB 4.24Å; E638-L661 HydrophobicContact CG-CB 3.93Å; E638-L661 HydrophobicContact CG-CD2 4.38Å
639	L	97.5	Very high	93.9	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	110.8	178.9	-180	56.9	0	0	0	110.6	L612 F629 M636 L641 I653 M656 L659 L661 L662 R663	L612-L639 HydrophobicContact CB-CD1 3.95Å; L612-L639 HydrophobicContact CD2-CD1 3.85Å; L612-L639 HydrophobicContact CG-CD1 3.89Å; F629-L639 HydrophobicContact CE1-CD1 4.3Å; F629-L639 HydrophobicContact CE1-CD2 4.25Å; F629-L639 HydrophobicContact CZ-CD2 4.34Å; M636-L639 HydrophobicContact CG-CB 4.28Å; M636-L639 HydrophobicContact SD-CB 4.22Å; L639-L641 HydrophobicContact CD1-CD1 4.14Å; L639-L641 HydrophobicContact CD1-CG 4.02Å; L639-L641 HydrophobicContact CD2-CD1 3.91Å; L639-L641 HydrophobicContact CG-CD1 3.89Å; L639-L641 HydrophobicContact CG-CG 4.1Å; L639-I653 HydrophobicContact CD2-CD1 3.49Å; L639-I653 VanDerWaalsContact CD2-CD1 3.49Å; L639-M656 HydrophobicContact CD2-CE 4.07Å; L639-M656 HydrophobicContact CD2-SD 4.11Å; L639-L659 HydrophobicContact CB-CD1 3.87Å; L639-L661 PolarHBondContact N-O 2.85Å; L639-L662 HydrophobicContact CB-CD1 4.1Å; L639-L662 HydrophobicContact CD2-CD1 4.07Å; L639-L662 HydrophobicContact CG-CD1 4.09Å; L639-R663 PolarHBondContact O-N 3.5Å
640	C	98	Very high	93.9	Very high	9 Å²	9	35 Å²	35	6%	0.061	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	110.6	177.1	-63.2	0	0	0	0	111.3	L612 Y613 L614 S615 R663	L612-C640 PolarHBondContact O-N 3.33Å; Y613-C640 HydrophobicContact CD1-CB 3.89Å; L614-C640 CarbonylContact C-O 3.36Å; L614-C640 WeakPolarHBondContact CA-O 3.43Å; L614-C640 PolarHBondContact N-O 3.3Å; S615-C640 PolarHBondContact N-O 2.94Å; S615-C640 WeakPolarHBondContact OG-CB 3.29Å; C640-R663 HydrophobicContact CB-CB 4.37Å
641	L	97.2	Very high	93.9	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.185	C	C	.	.			trans	-120	16.1	179.5	-71.8	165.6	0	0	0	111.4	L614 L619 L639 N644 L646 P650 R663 L664 N667	L614-L641 HydrophobicContact CB-CD2 3.9Å; L614-L641 HydrophobicContact CD1-CD2 4.02Å; L619-L641 HydrophobicContact CD1-CD2 3.66Å; L639-L641 HydrophobicContact CD1-CD1 4.14Å; L639-L641 HydrophobicContact CD1-CG 4.02Å; L639-L641 HydrophobicContact CD2-CD1 3.91Å; L639-L641 HydrophobicContact CG-CD1 3.89Å; L639-L641 HydrophobicContact CG-CG 4.1Å; L641-N644 PolarHBondContact O-ND2 3.29Å; L641-L646 HydrophobicContact CB-CD1 4.1Å; L641-P650 HydrophobicContact CD1-CG 4.04Å; L641-R663 CarbonylContact C-O 3.25Å; L641-R663 WeakPolarHBondContact CA-O 3.34Å; L641-R663 PolarHBondContact N-O 2.88Å; L641-L664 HydrophobicContact CB-CD2 3.93Å; L641-L664 HydrophobicContact CD1-CD2 4.05Å; L641-N667 PolarHBondContact O-ND2 3.03Å
642	D	97.4	Very high	93.9	Very high	2 Å²	2	34.4 Å²	34.4	1%	0.011	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	161.3	-177.4	63.9	-70.3	0	0	0	113.4	S615 F616 N644 R663 D665	S615-D642 CarbonylContact C-O 3.19Å; S615-D642 VanDerWaalsContact CA-O 3.25Å; S615-D642 WeakPolarHBondContact CA-O 3.42Å; S615-D642 VanDerWaalsContact CB-OD1 3.23Å; S615-D642 WeakPolarHBondContact CB-OD1 3.44Å; S615-D642 PolarHBondContact OG-OD1 3.04Å; F616-D642 PolarHBondContact N-O 3.4Å; D642-N644 PolarHBondContact O-N 2.99Å; D642-N644 VanDerWaalsContact O-N 3.1Å; D642-N644 PolarHBondContact O-ND2 3.12Å; D642-R663 HydrophobicContact CB-CB 4.31Å; D642-R663 PolarHBondContact N-O 3.12Å; D642-R663 IonicContact OD1-CZ 3.08Å; D642-R663 IonicContact OD1-NH1 2.79Å; D642-R663 IonicContact OD1-NH2 2.57Å; D642-R663 IonicContact OD2-CZ 3.09Å; D642-R663 IonicContact OD2-NH1 3.86Å; D642-R663 IonicContact OD2-NH2 2.65Å; D642-R663 PolarHBondContact OD2-NH2 2.87Å; D642-D665 CarbonylContact C-O 3.56Å; D642-D665 WeakPolarHBondContact CA-O 3.22Å; D642-D665 WeakPolarHBondContact CB-O 3.49Å; D642-D665 WeakPolarHBondContact CB-OD1 3.35Å; D642-D665 WeakPolarHBondContact CB-OD2 3.36Å
643	H	97.5	Very high	93.8	Very high	69 Å²	69	34.7 Å²	34.7	32%	0.319	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.1	28.9	179.9	-61.8	85.4	0	0	0	114.6	F616 D665 S666	F616-H643 HydrophobicContact CB-CB 4.43Å; F616-H643 HydrophobicContact CD1-CB 3.53Å; F616-H643 AromaticContact CD1-CG 3.85Å; F616-H643 HydrophobicContact CD2-CB 4.17Å; F616-H643 HydrophobicContact CE1-CB 3.68Å; F616-H643 AromaticContact CE1-CD2 3.58Å; F616-H643 AromaticContact CE1-CG 3.43Å; F616-H643 VanDerWaalsContact CE1-CG 3.43Å; F616-H643 AromaticContact CE1-ND1 3.94Å; F616-H643 HydrophobicContact CE2-CB 4.29Å; F616-H643 AromaticContact CE2-ND1 3.83Å; F616-H643 HydrophobicContact CG-CB 3.78Å; F616-H643 HydrophobicContact CZ-CB 4.06Å; F616-H643 AromaticContact CZ-CD2 3.87Å; F616-H643 AromaticContact CZ-CE1 3.89Å; F616-H643 AromaticContact CZ-CG 3.53Å; F616-H643 AromaticContact CZ-ND1 3.52Å; H643-D665 IonicContact CE1-OD2 3.56Å; H643-D665 PolarHBondContact N-O 3.38Å; H643-D665 IonicContact ND1-OD2 3.96Å; H643-S666 WeakPolarHBondContact CD2-CB 3.35Å; H643-S666 PolarHBondContact CE1-OG 3.48Å; H643-S666 VanDerWaalsContact NE2-CB 3.28Å; H643-S666 WeakPolarHBondContact NE2-CB 3.2Å; H643-S666 PolarHBondContact NE2-OG 3.05Å
644	N	97.3	Very high	93.7	Very high	8 Å²	8	35.3 Å²	35.3	4%	0.043	18%	0.176	C	C	.	.	S	Bend	trans	-98	-163.6	172	-85	-91.5	0	0	0	111.1	L614 N617 R618 L619 L641 D642 L646 N667	L614-N644 PolarHBondContact O-ND2 2.87Å; N617-N644 VanDerWaalsContact CA-OD1 3.32Å; N617-N644 WeakPolarHBondContact CA-OD1 3.46Å; N617-N644 WeakPolarHBondContact CB-OD1 3.15Å; N617-N644 PolarHBondContact O-OD1 3.37Å; R618-N644 PolarHBondContact N-OD1 2.96Å; L619-N644 HydrophobicContact CB-CB 4.25Å; L619-N644 WeakPolarHBondContact CB-OD1 3.23Å; L619-N644 WeakPolarHBondContact CG-OD1 3.17Å; L619-N644 PolarHBondContact N-OD1 3.1Å; L641-N644 PolarHBondContact O-ND2 3.29Å; D642-N644 PolarHBondContact O-N 2.99Å; D642-N644 VanDerWaalsContact O-N 3.1Å; D642-N644 PolarHBondContact O-ND2 3.12Å; N644-L646 HydrophobicContact CB-CG 4.28Å; N644-N667 VanDerWaalsContact CA-OD1 3.26Å; N644-N667 WeakPolarHBondContact CA-OD1 3.31Å; N644-N667 WeakPolarHBondContact CB-OD1 3.43Å; N644-N667 PolarHBondContact N-OD1 3.24Å; N644-N667 PolarHBondContact O-OD1 2.79Å
645	Q	95.5	Very high	93.7	Very high	59 Å²	59	34.1 Å²	34.1	28%	0.276	17%	0.171	S	C	.	.			trans	-110.2	10.8	-179.3	-56.7	-170.9	95	0	0	113.6	R618 L619 D620 I647 N667	R618-Q645 PolarHBondContact O-NE2 2.85Å; L619-Q645 CarbonylContact O-C 3.32Å; L619-Q645 WeakPolarHBondContact O-CA 3.24Å; L619-Q645 WeakPolarHBondContact O-CB 3.21Å; L619-Q645 PolarHBondContact O-N 3.09Å; D620-Q645 HydrophobicContact CB-CB 4.41Å; Q645-I647 PolarHBondContact O-N 3.04Å; Q645-N667 PolarHBondContact N-OD1 2.95Å
646	L	95.1	Very high	93.5	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.169	C	C	.	.			trans	-54.6	128.2	-168	-62.6	174.9	0	0	0	112.6	L619 D620 I624 L641 N644 P650 L664 N667 R668 I669	L619-L646 HydrophobicContact CB-CD2 3.84Å; L619-L646 PolarHBondContact O-N 2.74Å; D620-L646 WeakPolarHBondContact O-CA 3.04Å; I624-L646 HydrophobicContact CD1-CD2 3.85Å; L641-L646 HydrophobicContact CB-CD1 4.1Å; N644-L646 HydrophobicContact CB-CG 4.28Å; L646-P650 HydrophobicContact CD1-CG 4.39Å; L646-L664 HydrophobicContact CD1-CD2 3.81Å; L646-N667 HydrophobicContact CB-CB 4.21Å; L646-N667 VanDerWaalsContact CB-OD1 3.31Å; L646-N667 WeakPolarHBondContact CB-OD1 3.49Å; L646-N667 WeakPolarHBondContact CG-OD1 3.44Å; L646-N667 PolarHBondContact N-OD1 2.91Å; L646-R668 CarbonylContact O-C 3.58Å; L646-R668 VanDerWaalsContact O-CA 3.24Å; L646-R668 WeakPolarHBondContact O-CA 3.41Å; L646-R668 WeakPolarHBondContact O-CB 3.44Å; L646-R668 PolarHBondContact O-N 2.86Å; L646-I669 HydrophobicContact CB-CG1 4.25Å; L646-I669 WeakPolarHBondContact O-CG1 3.02Å; L646-I669 PolarHBondContact O-N 3.31Å
647	I	91.9	Very high	93.1	Very high	60 Å²	60	36.8 Å²	36.8	31%	0.308	19%	0.186	S	C	.	.	S	Bend	trans	-90.2	-25.5	179.2	-56.9	171.4	0	0	0	111.8	D620 Q645 I669 R670	D620-I647 PolarHBondContact O-N 2.99Å; Q645-I647 PolarHBondContact O-N 3.04Å; I647-I669 WeakPolarHBondContact O-CA 3.46Å; I647-R670 PolarHBondContact O-N 2.02Å
648	H	90.8	Very high	92.9	Very high	105 Å²	105	37.3 Å²	37.3	49%	0.486	19%	0.19	S	C	.	.	S	Bend	trans	-136.7	165.5	179.3	-63.1	-67.9	0	0	0	110.2
649	V	92.6	Very high	92.6	Very high	13 Å²	13	34.9 Å²	34.9	8%	0.079	18%	0.179	C	C	.	.	P	Polyproline II helix	trans	-68.9	136.6	166	-176.5	0	0	0	0	108.3	I653 L664 I669 S676 I677 M693	V649-I653 HydrophobicContact CG1-CG1 4.21Å; V649-L664 HydrophobicContact CG1-CD1 4.06Å; V649-L664 HydrophobicContact CG2-CD1 4.23Å; V649-I669 HydrophobicContact CG2-CD1 4.39Å; V649-S676 WeakPolarHBondContact CG1-O 3.41Å; V649-I677 HydrophobicContact CG1-CG1 4.13Å; V649-I677 HydrophobicContact CG2-CD1 4.38Å; V649-I677 HydrophobicContact CG2-CG1 4.46Å; V649-M693 HydrophobicContact CG2-CE 3.86Å
650	P	92.1	Very high	92.4	Very high	11 Å²	11	38.5 Å²	38.5	7%	0.071	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-61.9	155.9	176.8	-22.7	34.1	0	0	0	113.2	I624 F629 L641 L646 I653	I624-P650 HydrophobicContact CD1-CB 4.34Å; I624-P650 HydrophobicContact CD1-CG 3.98Å; I624-P650 HydrophobicContact CG2-CB 4.5Å; F629-P650 HydrophobicContact CE2-CB 4Å; L641-P650 HydrophobicContact CD1-CG 4.04Å; L646-P650 HydrophobicContact CD1-CG 4.39Å; P650-I653 HydrophobicContact CB-CG1 4.19Å; P650-I653 VanDerWaalsContact O-CG1 3.29Å; P650-I653 WeakPolarHBondContact O-CG1 3.41Å
651	L	87.6	Confident	92.2	Very high	113 Å²	113	39.7 Å²	39.7	59%	0.592	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.5	157.8	172.4	-60.3	177.1	0	0	0	111	P626 I653	P626-L651 HydrophobicContact CB-CD1 4Å; P626-L651 HydrophobicContact CG-CD1 4.24Å; L651-I653 PolarHBondContact O-N 3.31Å
652	G	86.3	Confident	92.2	Very high	5 Å²	5	39.7 Å²	39.7	5%	0.052	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.5	-4.9	179.6	0	0	0	0	0	115	Y633 N654 E655	Y633-G652 WeakPolarHBondContact CE1-O 3.39Å; G652-N654 VanDerWaalsContact C-N 3.3Å; G652-N654 PolarHBondContact O-N 3.44Å; G652-E655 PolarHBondContact O-N 2.04Å; G652-E655 VanDerWaalsContact O-N 3.15Å
653	I	91.3	Very high	92.2	Very high	5 Å²	5	43.2 Å²	43.2	3%	0.026	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-62	-40	173.8	-63.6	-65.6	0	0	0	111.1	L639 V649 P650 L651 E655 M656 L659 L662	L639-I653 HydrophobicContact CD2-CD1 3.49Å; L639-I653 VanDerWaalsContact CD2-CD1 3.49Å; V649-I653 HydrophobicContact CG1-CG1 4.21Å; P650-I653 HydrophobicContact CB-CG1 4.19Å; P650-I653 VanDerWaalsContact O-CG1 3.29Å; P650-I653 WeakPolarHBondContact O-CG1 3.41Å; L651-I653 PolarHBondContact O-N 3.31Å; I653-E655 PolarHBondContact O-N 3.32Å; I653-M656 HydrophobicContact CD1-CE 4.02Å; I653-M656 HydrophobicContact CD1-SD 4.11Å; I653-M656 WeakPolarHBondContact O-CB 3.37Å; I653-M656 PolarHBondContact O-N 2.91Å; I653-M656 VanDerWaalsContact O-N 3.13Å; I653-L659 HydrophobicContact CG2-CD2 4.47Å; I653-L662 HydrophobicContact CD1-CD1 4.42Å; I653-L662 HydrophobicContact CG2-CD2 3.56Å
654	N	88.1	Confident	92.1	Very high	37 Å²	37	39.9 Å²	39.9	20%	0.198	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-65.8	-16.7	175.6	63.2	-61.6	0	0	0	113.8	G652 E675	G652-N654 VanDerWaalsContact C-N 3.3Å; G652-N654 PolarHBondContact O-N 3.44Å; N654-E675 WeakPolarHBondContact CB-O 3.44Å; N654-E675 VanDerWaalsContact CG-O 3.31Å
655	E	88.6	Confident	92.1	Very high	100 Å²	100	40 Å²	40	47%	0.467	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-89.3	-7.4	175.6	-60.6	-177.4	-156.4	0	0	112.2	Y633 G652 I653 T657	Y633-E655 HydrophobicContact CD1-CB 4Å; Y633-E655 HydrophobicContact CD2-CB 4.09Å; Y633-E655 WeakPolarHBondContact CD2-OE2 3.28Å; Y633-E655 HydrophobicContact CE1-CB 4.22Å; Y633-E655 HydrophobicContact CE2-CB 4.31Å; Y633-E655 WeakPolarHBondContact CE2-OE2 3.11Å; Y633-E655 HydrophobicContact CG-CB 3.93Å; G652-E655 PolarHBondContact O-N 2.04Å; G652-E655 VanDerWaalsContact O-N 3.15Å; I653-E655 PolarHBondContact O-N 3.32Å; E655-T657 PolarHBondContact O-N 3.04Å
656	M	90.5	Very high	92.1	Very high	8 Å²	8	38.1 Å²	38.1	4%	0.039	19%	0.193	C	C	.	.			trans	-80.6	84.3	-175.9	-61.2	-175.4	178.3	0	0	113.3	F629 Y633 M636 L639 I653 N658 L659	F629-M656 HydrophobicContact CB-CE 3.63Å; F629-M656 HydrophobicContact CD1-CE 3.71Å; F629-M656 HydrophobicContact CD2-CE 4.11Å; F629-M656 HydrophobicContact CE1-CE 4.41Å; F629-M656 HydrophobicContact CG-CE 3.54Å; Y633-M656 HydrophobicContact CD1-CG 4.14Å; Y633-M656 CarbonylContact O-C 3.58Å; Y633-M656 WeakPolarHBondContact O-CA 3.02Å; M636-M656 HydrophobicContact CB-SD 4.15Å; M636-M656 HydrophobicContact CG-SD 3.9Å; L639-M656 HydrophobicContact CD2-CE 4.07Å; L639-M656 HydrophobicContact CD2-SD 4.11Å; I653-M656 HydrophobicContact CD1-CE 4.02Å; I653-M656 HydrophobicContact CD1-SD 4.11Å; I653-M656 WeakPolarHBondContact O-CB 3.37Å; I653-M656 PolarHBondContact O-N 2.91Å; I653-M656 VanDerWaalsContact O-N 3.13Å; M656-N658 VanDerWaalsContact C-N 3.32Å; M656-N658 PolarHBondContact O-N 3.47Å; M656-L659 HydrophobicContact CB-CB 3.79Å; M656-L659 HydrophobicContact CB-CD2 4.17Å; M656-L659 PolarHBondContact O-N 2.81Å; M656-L659 HydrophobicContact SD-CD1 4.35Å; M656-L659 HydrophobicContact SD-CD2 4.03Å
657	T	87.3	Confident	92.2	Very high	60 Å²	60	38.1 Å²	38.1	37%	0.368	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-32.8	-177.1	54.5	0	0	0	0	115.8	Y633 E655 T687	Y633-T657 PolarHBondContact O-N 3.46Å; Y633-T657 PolarHBondContact O-OG1 2.82Å; E655-T657 PolarHBondContact O-N 3.04Å; T657-T687 WeakPolarHBondContact O-CG2 3.38Å; T657-T687 PolarHBondContact O-OG1 3.49Å
658	N	90.4	Very high	92.4	Very high	64 Å²	64	40.9 Å²	40.9	34%	0.342	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.6	9.1	-174.4	-77.6	-38.6	0	0	0	114.7	H634 M636 M637 M656 H660 T687	H634-N658 PolarHBondContact O-ND2 3.06Å; M636-N658 CarbonylContact O-C 3.6Å; M637-N658 WeakPolarHBondContact CA-O 3.49Å; M656-N658 VanDerWaalsContact C-N 3.32Å; M656-N658 PolarHBondContact O-N 3.47Å; N658-H660 PolarHBondContact O-CE1 3.45Å; N658-H660 PolarHBondContact O-N 2.87Å; N658-H660 PolarHBondContact O-ND1 2.78Å; N658-T687 VanDerWaalsContact CA-OG1 3.23Å; N658-T687 WeakPolarHBondContact CA-OG1 3.25Å
659	L	92.4	Very high	92.5	Very high	5 Å²	5	35.9 Å²	35.9	3%	0.026	18%	0.177	C	C	.	.			trans	-74.1	108.4	-175.8	-175.7	70.9	0	0	0	111.9	M636 L639 I653 M656 L661 L662 T687 L688	M636-L659 HydrophobicContact CG-CD1 3.79Å; M636-L659 VanDerWaalsContact O-CA 3.27Å; M636-L659 WeakPolarHBondContact O-CA 3.48Å; M636-L659 PolarHBondContact O-N 3.02Å; M636-L659 VanDerWaalsContact O-N 3.1Å; L639-L659 HydrophobicContact CB-CD1 3.87Å; I653-L659 HydrophobicContact CG2-CD2 4.47Å; M656-L659 HydrophobicContact CB-CB 3.79Å; M656-L659 HydrophobicContact CB-CD2 4.17Å; M656-L659 PolarHBondContact O-N 2.81Å; M656-L659 HydrophobicContact SD-CD1 4.35Å; M656-L659 HydrophobicContact SD-CD2 4.03Å; L659-L661 WeakPolarHBondContact CD1-O 3.36Å; L659-L662 HydrophobicContact CD2-CB 4.08Å; L659-L662 HydrophobicContact CD2-CD2 4.24Å; L659-T687 PolarHBondContact N-OG1 2.77Å; L659-T687 VanDerWaalsContact N-OG1 3.14Å; L659-T687 CarbonylContact O-C 3.35Å; L659-T687 PolarHBondContact O-OG1 2.8Å; L659-L688 HydrophobicContact CG-CD1 4.38Å; L659-L688 WeakPolarHBondContact O-CA 3.09Å; L659-L688 WeakPolarHBondContact O-CB 3.46Å; L659-L688 PolarHBondContact O-N 3.13Å; L659-L688 VanDerWaalsContact O-N 3.14Å
660	H	92.2	Very high	92.4	Very high	76 Å²	76	43.2 Å²	43.2	35%	0.352	20%	0.203	S	C	.	.			trans	-90.1	-31.7	179.1	-66.5	83.3	0	0	0	113.6	M637 N658 T687 V689 A690	M637-H660 PolarHBondContact O-N 2.95Å; N658-H660 PolarHBondContact O-CE1 3.45Å; N658-H660 PolarHBondContact O-N 2.87Å; N658-H660 PolarHBondContact O-ND1 2.78Å; H660-T687 WeakPolarHBondContact CA-O 3.02Å; H660-T687 PolarHBondContact CD2-O 2.7Å; H660-V689 PolarHBondContact O-N 3.45Å; H660-A690 PolarHBondContact O-N 3.36Å; H660-A690 VanDerWaalsContact O-N 3.1Å
661	L	94.5	Very high	92.2	Very high	34 Å²	34	45.5 Å²	45.5	18%	0.178	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	124.2	-179.3	176.3	64.2	0	0	0	111.4	M637 E638 L639 L659 R663 A690	M637-L661 PolarHBondContact O-N 3.03Å; M637-L661 VanDerWaalsContact O-N 3.11Å; E638-L661 WeakPolarHBondContact CA-O 3.1Å; E638-L661 HydrophobicContact CB-CB 4.24Å; E638-L661 HydrophobicContact CG-CB 3.93Å; E638-L661 HydrophobicContact CG-CD2 4.38Å; L639-L661 PolarHBondContact N-O 2.85Å; L659-L661 WeakPolarHBondContact CD1-O 3.36Å; L661-R663 HydrophobicContact CD1-CG 4.07Å; L661-R663 HydrophobicContact CG-CG 4.31Å; L661-A690 WeakPolarHBondContact CA-O 3.35Å; L661-A690 HydrophobicContact CD1-CB 3.73Å
662	L	96.3	Very high	92.3	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	120.1	171	-178.5	54.4	0	0	0	110.7	L639 I653 L659 L664 L688 A690 L691 R692	L639-L662 HydrophobicContact CB-CD1 4.1Å; L639-L662 HydrophobicContact CD2-CD1 4.07Å; L639-L662 HydrophobicContact CG-CD1 4.09Å; I653-L662 HydrophobicContact CD1-CD1 4.42Å; I653-L662 HydrophobicContact CG2-CD2 3.56Å; L659-L662 HydrophobicContact CD2-CB 4.08Å; L659-L662 HydrophobicContact CD2-CD2 4.24Å; L662-L664 HydrophobicContact CD1-CD1 4.35Å; L662-L664 HydrophobicContact CD1-CG 4.16Å; L662-L664 HydrophobicContact CD2-CD1 3.98Å; L662-L664 HydrophobicContact CG-CD1 4.06Å; L662-L664 HydrophobicContact CG-CG 4.18Å; L662-L688 HydrophobicContact CB-CD1 3.99Å; L662-A690 PolarHBondContact N-O 3.47Å; L662-L691 HydrophobicContact CB-CD1 4Å; L662-L691 HydrophobicContact CD2-CD1 3.89Å; L662-L691 HydrophobicContact CG-CD1 3.9Å; L662-L691 WeakPolarHBondContact O-CA 3.4Å; L662-R692 PolarHBondContact O-N 3.01Å
663	R	97.3	Very high	92.4	Very high	75 Å²	75	44 Å²	44	28%	0.283	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	116.4	173.7	-65.9	-167.4	60.3	-153.9	-13.7	111.9	L639 C640 L641 D642 L661 D665 R692	L639-R663 PolarHBondContact O-N 3.5Å; C640-R663 HydrophobicContact CB-CB 4.37Å; L641-R663 CarbonylContact C-O 3.25Å; L641-R663 WeakPolarHBondContact CA-O 3.34Å; L641-R663 PolarHBondContact N-O 2.88Å; D642-R663 HydrophobicContact CB-CB 4.31Å; D642-R663 PolarHBondContact N-O 3.12Å; D642-R663 IonicContact OD1-CZ 3.08Å; D642-R663 IonicContact OD1-NH1 2.79Å; D642-R663 IonicContact OD1-NH2 2.57Å; D642-R663 IonicContact OD2-CZ 3.09Å; D642-R663 IonicContact OD2-NH1 3.86Å; D642-R663 IonicContact OD2-NH2 2.65Å; D642-R663 PolarHBondContact OD2-NH2 2.87Å; L661-R663 HydrophobicContact CD1-CG 4.07Å; L661-R663 HydrophobicContact CG-CG 4.31Å; R663-D665 IonicContact CZ-OD1 3.18Å; R663-D665 IonicContact CZ-OD2 2.85Å; R663-D665 IonicContact NE-OD1 3.82Å; R663-D665 PolarHBondContact NE-OD1 3.11Å; R663-D665 VanDerWaalsContact NH2-CG 3.28Å; R663-D665 IonicContact NH2-OD1 2.78Å; R663-D665 PolarHBondContact NH2-OD1 3.26Å; R663-D665 IonicContact NH2-OD2 2.7Å; R663-D665 PolarHBondContact NH2-OD2 2.79Å; R663-R692 HydrophobicContact CB-CB 4.45Å; R663-R692 HydrophobicContact CG-CB 4.09Å; R663-R692 HydrophobicContact CG-CG 3.96Å
664	L	96.9	Very high	92.1	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.237	C	C	.	.			trans	-123.6	13.1	175.5	-68.1	165.4	0	0	0	111.2	L641 L646 V649 L662 N667 I669 R692 M693 N696	L641-L664 HydrophobicContact CB-CD2 3.93Å; L641-L664 HydrophobicContact CD1-CD2 4.05Å; L646-L664 HydrophobicContact CD1-CD2 3.81Å; V649-L664 HydrophobicContact CG1-CD1 4.06Å; V649-L664 HydrophobicContact CG2-CD1 4.23Å; L662-L664 HydrophobicContact CD1-CD1 4.35Å; L662-L664 HydrophobicContact CD1-CG 4.16Å; L662-L664 HydrophobicContact CD2-CD1 3.98Å; L662-L664 HydrophobicContact CG-CD1 4.06Å; L662-L664 HydrophobicContact CG-CG 4.18Å; L664-N667 WeakPolarHBondContact O-CB 3.44Å; L664-N667 PolarHBondContact O-ND2 3.13Å; L664-I669 HydrophobicContact CB-CD1 4.05Å; L664-I669 HydrophobicContact CD1-CD1 4.43Å; L664-I669 HydrophobicContact CD2-CD1 4.38Å; L664-R692 CarbonylContact C-O 3.19Å; L664-R692 WeakPolarHBondContact CA-O 3.31Å; L664-R692 PolarHBondContact N-O 2.77Å; L664-M693 HydrophobicContact CB-CG 4.45Å; L664-M693 HydrophobicContact CD1-CE 4.01Å; L664-N696 PolarHBondContact O-ND2 3.44Å
665	D	96.3	Very high	91.9	Very high	9 Å²	9	53.1 Å²	53.1	5%	0.048	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	158.3	-176.7	58.6	-84.9	0	0	0	113.6	D642 H643 R663 N667 R692 E694	D642-D665 CarbonylContact C-O 3.56Å; D642-D665 WeakPolarHBondContact CA-O 3.22Å; D642-D665 WeakPolarHBondContact CB-O 3.49Å; D642-D665 WeakPolarHBondContact CB-OD1 3.35Å; D642-D665 WeakPolarHBondContact CB-OD2 3.36Å; H643-D665 IonicContact CE1-OD2 3.56Å; H643-D665 PolarHBondContact N-O 3.38Å; H643-D665 IonicContact ND1-OD2 3.96Å; R663-D665 IonicContact CZ-OD1 3.18Å; R663-D665 IonicContact CZ-OD2 2.85Å; R663-D665 IonicContact NE-OD1 3.82Å; R663-D665 PolarHBondContact NE-OD1 3.11Å; R663-D665 VanDerWaalsContact NH2-CG 3.28Å; R663-D665 IonicContact NH2-OD1 2.78Å; R663-D665 PolarHBondContact NH2-OD1 3.26Å; R663-D665 IonicContact NH2-OD2 2.7Å; R663-D665 PolarHBondContact NH2-OD2 2.79Å; D665-N667 PolarHBondContact O-N 2.86Å; D665-N667 PolarHBondContact O-ND2 3.14Å; D665-R692 HydrophobicContact CB-CB 4.24Å; D665-R692 PolarHBondContact N-O 2.81Å; D665-E694 CarbonylContact C-O 3.41Å; D665-E694 VanDerWaalsContact CA-O 3.26Å; D665-E694 WeakPolarHBondContact CA-O 3.49Å; D665-E694 HydrophobicContact CB-CG 3.88Å; D665-E694 WeakPolarHBondContact CB-O 3.48Å
666	S	96.8	Very high	91.8	Very high	21 Å²	21	48.8 Å²	48.8	15%	0.147	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.6	5.9	179.2	-72.9	0	0	0	0	117.5	H643 E694 N695 K723	H643-S666 WeakPolarHBondContact CD2-CB 3.35Å; H643-S666 PolarHBondContact CE1-OG 3.48Å; H643-S666 VanDerWaalsContact NE2-CB 3.28Å; H643-S666 WeakPolarHBondContact NE2-CB 3.2Å; H643-S666 PolarHBondContact NE2-OG 3.05Å; S666-E694 PolarHBondContact N-O 2.86Å; S666-N695 WeakPolarHBondContact CA-O 3.38Å; S666-K723 PolarHBondContact O-NZ 3.43Å
667	N	96.7	Very high	91.7	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.238	C	C	.	.	S	Bend	trans	-72.9	-157.9	177.1	-86.6	-78.7	0	0	0	113.7	L641 N644 Q645 L646 L664 D665 I669 N696 K723	L641-N667 PolarHBondContact O-ND2 3.03Å; N644-N667 VanDerWaalsContact CA-OD1 3.26Å; N644-N667 WeakPolarHBondContact CA-OD1 3.31Å; N644-N667 WeakPolarHBondContact CB-OD1 3.43Å; N644-N667 PolarHBondContact N-OD1 3.24Å; N644-N667 PolarHBondContact O-OD1 2.79Å; Q645-N667 PolarHBondContact N-OD1 2.95Å; L646-N667 HydrophobicContact CB-CB 4.21Å; L646-N667 VanDerWaalsContact CB-OD1 3.31Å; L646-N667 WeakPolarHBondContact CB-OD1 3.49Å; L646-N667 WeakPolarHBondContact CG-OD1 3.44Å; L646-N667 PolarHBondContact N-OD1 2.91Å; L664-N667 WeakPolarHBondContact O-CB 3.44Å; L664-N667 PolarHBondContact O-ND2 3.13Å; D665-N667 PolarHBondContact O-N 2.86Å; D665-N667 PolarHBondContact O-ND2 3.14Å; N667-I669 HydrophobicContact CB-CD1 4.42Å; N667-I669 HydrophobicContact CB-CG1 4.16Å; N667-N696 VanDerWaalsContact CA-OD1 3.29Å; N667-N696 WeakPolarHBondContact CA-OD1 3.46Å; N667-N696 WeakPolarHBondContact CB-OD1 3.27Å; N667-N696 PolarHBondContact O-OD1 3.18Å; N667-K723 PolarHBondContact O-NZ 3.38Å; N667-K723 VanDerWaalsContact O-NZ 3.09Å
668	R	94.9	Very high	91.7	Very high	118 Å²	118	45.9 Å²	45.9	45%	0.445	22%	0.221	S	C	.	.			trans	-119.2	17	178.4	-58.3	-175.5	176.6	157.1	6.8	113.3	L646 N696 Y697	L646-R668 CarbonylContact O-C 3.58Å; L646-R668 VanDerWaalsContact O-CA 3.24Å; L646-R668 WeakPolarHBondContact O-CA 3.41Å; L646-R668 WeakPolarHBondContact O-CB 3.44Å; L646-R668 PolarHBondContact O-N 2.86Å; R668-N696 PolarHBondContact N-OD1 3.38Å; R668-Y697 HydrophobicContact CB-CD2 4.37Å; R668-Y697 HydrophobicContact CB-CE2 4.33Å; R668-Y697 HydrophobicContact CG-CE2 4.38Å
669	I	93.8	Very high	91.2	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.213	C	C	.	.			trans	-61.8	136.7	-171.1	-58.6	173.3	0	0	0	110	L646 I647 V649 L664 N667 M693 N696 Y697 I698	L646-I669 HydrophobicContact CB-CG1 4.25Å; L646-I669 WeakPolarHBondContact O-CG1 3.02Å; L646-I669 PolarHBondContact O-N 3.31Å; I647-I669 WeakPolarHBondContact O-CA 3.46Å; V649-I669 HydrophobicContact CG2-CD1 4.39Å; L664-I669 HydrophobicContact CB-CD1 4.05Å; L664-I669 HydrophobicContact CD1-CD1 4.43Å; L664-I669 HydrophobicContact CD2-CD1 4.38Å; N667-I669 HydrophobicContact CB-CD1 4.42Å; N667-I669 HydrophobicContact CB-CG1 4.16Å; I669-M693 HydrophobicContact CD1-CE 4.28Å; I669-N696 HydrophobicContact CB-CB 4.22Å; I669-N696 WeakPolarHBondContact CB-OD1 3.41Å; I669-N696 WeakPolarHBondContact CG1-OD1 3.34Å; I669-N696 PolarHBondContact N-OD1 3.01Å; I669-Y697 CarbonylContact O-C 3.12Å; I669-Y697 VanDerWaalsContact O-C 3.27Å; I669-Y697 WeakPolarHBondContact O-CA 3.25Å; I669-Y697 PolarHBondContact O-N 3.29Å; I669-I698 HydrophobicContact CB-CD1 4.39Å; I669-I698 HydrophobicContact CB-CG1 4.33Å; I669-I698 HydrophobicContact CG2-CD1 4.17Å; I669-I698 HydrophobicContact CG2-CG1 4.04Å; I669-I698 PolarHBondContact O-N 2.76Å
670	R	90.6	Very high	90.1	Very high	166 Å²	166	47.2 Å²	47.2	63%	0.626	23%	0.231	S	C	*	.			trans	-112.9	-31.6	-177.5	-62.7	-176.9	-177.2	169.3	3.7	114.4	I647	I647-R670 PolarHBondContact O-N 2.02Å
671	S	87.1	Confident	89.1	Confident	59 Å²	59	50.1 Å²	50.1	41%	0.413	25%	0.249	S	C	.	.			trans	-146.6	152	-176.2	57.2	0	0	0	0	110.3
672	I	90.7	Very high	87.8	Confident	13 Å²	13	53.6 Å²	53.6	7%	0.067	27%	0.268	C	S	.	.			trans	-120.2	127.1	175.9	-55.1	175.5	0	0	0	105.7	S676 I677 M693 I698 V703 A707 F708	I672-S676 VanDerWaalsContact CG2-OG 3.28Å; I672-S676 WeakPolarHBondContact CG2-OG 3.41Å; I672-I677 HydrophobicContact CG2-CD1 3.85Å; I672-I677 HydrophobicContact CG2-CG1 4.37Å; I672-M693 HydrophobicContact CD1-CE 3.63Å; I672-M693 HydrophobicContact CD1-SD 3.7Å; I672-M693 HydrophobicContact CG1-CE 4.04Å; I672-I698 HydrophobicContact CD1-CD1 4.22Å; I672-I698 HydrophobicContact CD1-CG2 4.43Å; I672-I698 HydrophobicContact CG1-CD1 4.5Å; I672-V703 HydrophobicContact CB-CG1 4.24Å; I672-V703 HydrophobicContact CB-CG2 4.39Å; I672-V703 HydrophobicContact CD1-CG1 4.24Å; I672-V703 HydrophobicContact CD1-CG2 4.19Å; I672-V703 HydrophobicContact CG1-CG2 4.36Å; I672-A707 HydrophobicContact CG2-CB 3.78Å; I672-F708 HydrophobicContact CD1-CE1 4.34Å; I672-F708 HydrophobicContact CD1-CZ 3.77Å
673	S	87.7	Confident	85.9	Confident	74 Å²	74	63 Å²	63	52%	0.517	31%	0.312	S	S	.	.			trans	-90.6	157.7	174.5	54.9	0	0	0	0	110.9	E675 S676	S673-E675 PolarHBondContact O-N 2.88Å; S673-E675 VanDerWaalsContact O-N 3.13Å; S673-S676 PolarHBondContact N-OG 3.1Å; S673-S676 VanDerWaalsContact N-OG 3.16Å; S673-S676 PolarHBondContact O-N 3.35Å; S673-S676 VanDerWaalsContact O-N 3.07Å; S673-S676 PolarHBondContact O-OG 2.04Å; S673-S676 VanDerWaalsContact OG-CB 3.31Å; S673-S676 WeakPolarHBondContact OG-CB 3.19Å; S673-S676 PolarHBondContact OG-OG 2.81Å
674	E	85	Confident	84.2	Confident	100 Å²	100	67 Å²	67	47%	0.467	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-26.8	-174	-53.2	-165.7	121.3	0	0	113.4	C678 S704 A706	E674-C678 VanDerWaalsContact O-O 3.13Å; E674-S704 WeakPolarHBondContact OE1-CB 3.39Å; E674-S704 PolarHBondContact OE1-OG 3.42Å; E674-A706 HydrophobicContact CB-CB 4.25Å; E674-A706 HydrophobicContact CG-CB 4.31Å
675	E	85.1	Confident	82.6	Confident	134 Å²	134	73.1 Å²	73.1	63%	0.626	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.8	0.3	-179.2	-62	167.9	-177.7	0	0	113.7	N654 S673 C678 P680	N654-E675 WeakPolarHBondContact CB-O 3.44Å; N654-E675 VanDerWaalsContact CG-O 3.31Å; S673-E675 PolarHBondContact O-N 2.88Å; S673-E675 VanDerWaalsContact O-N 3.13Å; E675-C678 CarbonylContact C-O 3.14Å; E675-C678 WeakPolarHBondContact CA-O 3.32Å; E675-P680 HydrophobicContact CG-CG 4.16Å
676	S	86.5	Confident	81.2	Confident	9 Å²	9	74.9 Å²	74.9	6%	0.063	37%	0.373	C	S	.	.	S	Bend	trans	-86.1	-11.4	-167.4	58.5	0	0	0	0	116.6	V649 I672 S673	V649-S676 WeakPolarHBondContact CG1-O 3.41Å; I672-S676 VanDerWaalsContact CG2-OG 3.28Å; I672-S676 WeakPolarHBondContact CG2-OG 3.41Å; S673-S676 PolarHBondContact N-OG 3.1Å; S673-S676 VanDerWaalsContact N-OG 3.16Å; S673-S676 PolarHBondContact O-N 3.35Å; S673-S676 VanDerWaalsContact O-N 3.07Å; S673-S676 PolarHBondContact O-OG 2.04Å; S673-S676 VanDerWaalsContact OG-CB 3.31Å; S673-S676 WeakPolarHBondContact OG-CB 3.19Å; S673-S676 PolarHBondContact OG-OG 2.81Å
677	I	88.4	Confident	80.4	Confident	5 Å²	5	75.9 Å²	75.9	3%	0.026	38%	0.379	C	S	.	.	S	Bend	trans	-137.6	-44.4	-176.9	-60.5	176.8	0	0	0	109.9	V649 I672 L688 L691 M693 F708	V649-I677 HydrophobicContact CG1-CG1 4.13Å; V649-I677 HydrophobicContact CG2-CD1 4.38Å; V649-I677 HydrophobicContact CG2-CG1 4.46Å; I672-I677 HydrophobicContact CG2-CD1 3.85Å; I672-I677 HydrophobicContact CG2-CG1 4.37Å; I677-L688 HydrophobicContact CG2-CD2 4.25Å; I677-L691 HydrophobicContact CD1-CD2 3.99Å; I677-L691 HydrophobicContact CG2-CD2 4.22Å; I677-M693 HydrophobicContact CD1-CE 4.25Å; I677-M693 HydrophobicContact CD1-SD 4.01Å; I677-F708 HydrophobicContact CD1-CD1 4.49Å; I677-F708 HydrophobicContact CD1-CE1 3.9Å
678	C	85.5	Confident	79.9	Confident	1 Å²	1	76.5 Å²	76.5	1%	0.007	38%	0.382	C	S	.	.	S	Bend	trans	-109.5	149.1	167.1	-57.9	0	0	0	0	109.4	E674 E675 F708 S709 C710	E674-C678 VanDerWaalsContact O-O 3.13Å; E675-C678 CarbonylContact C-O 3.14Å; E675-C678 WeakPolarHBondContact CA-O 3.32Å; C678-F708 VanDerWaalsContact SG-C 3.5Å; C678-S709 WeakPolarHBondContact CB-OG 3.33Å; C678-C710 VanDerWaalsContact CA-SG 3.55Å; C678-C710 HydrophobicContact CB-CB 3.69Å; C678-C710 WeakPolarHBondContact CB-SG 3.39Å; C678-C710 WeakPolarHBondContact SG-CB 3.48Å; C678-C710 PolarHBondContact SG-N 3.07Å; C678-C710 CovalentContact SG-SG 2.04Å; C678-C710 PolarHBondContact SG-SG 3.47Å
679	D	80.9	Confident	79.5	Confident	35 Å²	35	75.3 Å²	75.3	19%	0.187	39%	0.388	C	S	.	.			trans	-86.9	126.5	160.9	-176.3	-41.9	0	0	0	108.2	D681 L682	D679-D681 WeakPolarHBondContact OD1-CA 3.02Å; D679-D681 WeakPolarHBondContact OD1-CB 3.17Å; D679-D681 PolarHBondContact OD1-N 2.86Å; D679-L682 HydrophobicContact CB-CB 4.1Å; D679-L682 HydrophobicContact CB-CD1 3.95Å; D679-L682 HydrophobicContact CB-CG 4.05Å; D679-L682 PolarHBondContact OD1-N 2.96Å
680	P	69.5	Low	79.4	Confident	63 Å²	63	76.2 Å²	76.2	41%	0.409	40%	0.395	S	S	.	.	S	Bend	trans	-78.6	-17.2	-178.9	31.9	-35.8	0	0	0	114.6	E675	E675-P680 HydrophobicContact CG-CG 4.16Å
681	D	70.8	Confident	79.6	Confident	136 Å²	136	68.3 Å²	68.3	73%	0.727	37%	0.365	S	S	*	.	S	Bend	trans	-84.3	-25.4	175	-80.5	-20.4	0	0	0	111.6	D679	D679-D681 WeakPolarHBondContact OD1-CA 3.02Å; D679-D681 WeakPolarHBondContact OD1-CB 3.17Å; D679-D681 PolarHBondContact OD1-N 2.86Å
682	L	67.4	Low	80	Confident	108 Å²	108	70.1 Å²	70.1	57%	0.565	36%	0.363	S	S	*	.			trans	-85.4	121.3	177.3	-65.3	179.4	0	0	0	112.2	D679 E684	D679-L682 HydrophobicContact CB-CB 4.1Å; D679-L682 HydrophobicContact CB-CD1 3.95Å; D679-L682 HydrophobicContact CB-CG 4.05Å; D679-L682 PolarHBondContact OD1-N 2.96Å; L682-E684 VanDerWaalsContact C-N 3.34Å; L682-E684 PolarHBondContact O-N 3.11Å
683	Q	56.4	Low	80.2	Confident	197 Å²	197	69.5 Å²	69.5	92%	0.921	36%	0.36	S	S	*	.			trans	-91.8	15.9	179	-62.8	-170.4	-7.6	0	0	114
684	E	61.6	Low	80.5	Confident	158 Å²	158	67.5 Å²	67.5	74%	0.738	34%	0.342	S	S	*	.	P	Polyproline II helix	trans	-85.5	135.3	-179.2	-56.6	-160.7	155.8	0	0	110.7	L682 T686	L682-E684 VanDerWaalsContact C-N 3.34Å; L682-E684 PolarHBondContact O-N 3.11Å; E684-T686 PolarHBondContact O-N 2.64Å
685	E	62.8	Low	81	Confident	130 Å²	130	65.5 Å²	65.5	61%	0.607	34%	0.335	S	S	*	.	P	Polyproline II helix	trans	-66.8	120.1	175.8	-68.3	-172.3	-153.6	0	0	109.2	R712	E685-R712 IonicContact OE1-NH1 3.96Å; E685-R712 WeakPolarHBondContact OE2-CD 3.48Å; E685-R712 IonicContact OE2-CZ 2.69Å; E685-R712 IonicContact OE2-NE 3.14Å; E685-R712 IonicContact OE2-NH1 2.8Å; E685-R712 PolarHBondContact OE2-NH1 3Å
686	T	68.2	Low	81.5	Confident	45 Å²	45	59.1 Å²	59.1	28%	0.276	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-69.8	150.6	175	51.3	0	0	0	0	111	E684 L688 C710	E684-T686 PolarHBondContact O-N 2.64Å; T686-L688 PolarHBondContact O-N 2.82Å; T686-C710 HydrophobicContact CG2-CB 3.71Å; T686-C710 VanDerWaalsContact CG2-SG 3.55Å; T686-C710 PolarHBondContact OG1-O 3.39Å; T686-C710 PolarHBondContact OG1-SG 3.48Å
687	T	79.9	Confident	81.8	Confident	43 Å²	43	62.5 Å²	62.5	26%	0.264	32%	0.317	S	S	.	.			trans	-71.9	-1	174.3	46.3	0	0	0	0	113.5	T657 N658 L659 H660 V689	T657-T687 WeakPolarHBondContact O-CG2 3.38Å; T657-T687 PolarHBondContact O-OG1 3.49Å; N658-T687 VanDerWaalsContact CA-OG1 3.23Å; N658-T687 WeakPolarHBondContact CA-OG1 3.25Å; L659-T687 PolarHBondContact N-OG1 2.77Å; L659-T687 VanDerWaalsContact N-OG1 3.14Å; L659-T687 CarbonylContact O-C 3.35Å; L659-T687 PolarHBondContact O-OG1 2.8Å; H660-T687 WeakPolarHBondContact CA-O 3.02Å; H660-T687 PolarHBondContact CD2-O 2.7Å; T687-V689 WeakPolarHBondContact O-CG2 3.46Å; T687-V689 PolarHBondContact O-N 3.19Å
688	L	85.5	Confident	82	Confident	12 Å²	12	62.6 Å²	62.6	6%	0.063	32%	0.318	C	S	.	.			trans	-70.8	92.4	-170.4	-174.4	51.5	0	0	0	112.9	L659 L662 I677 T686 A690 L711	L659-L688 HydrophobicContact CG-CD1 4.38Å; L659-L688 WeakPolarHBondContact O-CA 3.09Å; L659-L688 WeakPolarHBondContact O-CB 3.46Å; L659-L688 PolarHBondContact O-N 3.13Å; L659-L688 VanDerWaalsContact O-N 3.14Å; L662-L688 HydrophobicContact CB-CD1 3.99Å; I677-L688 HydrophobicContact CG2-CD2 4.25Å; T686-L688 PolarHBondContact O-N 2.82Å; L688-A690 VanDerWaalsContact CD1-O 3.32Å; L688-A690 WeakPolarHBondContact CD1-O 3.48Å; L688-L711 HydrophobicContact CB-CD2 3.71Å; L688-L711 HydrophobicContact CD2-CD2 3.94Å; L688-L711 HydrophobicContact CG-CD2 3.77Å; L688-L711 WeakPolarHBondContact O-CD2 3.13Å
689	V	87	Confident	82.1	Confident	94 Å²	94	66.7 Å²	66.7	57%	0.57	34%	0.339	S	S	*	.			trans	-72.8	-35.4	179.3	-176.7	0	0	0	0	111.8	H660 T687 S716	H660-V689 PolarHBondContact O-N 3.45Å; T687-V689 WeakPolarHBondContact O-CG2 3.46Å; T687-V689 PolarHBondContact O-N 3.19Å; V689-S716 WeakPolarHBondContact O-CB 3.31Å; V689-S716 PolarHBondContact O-OG 3.39Å
690	A	90.6	Very high	82.1	Confident	19 Å²	19	67.1 Å²	67.1	16%	0.157	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	127.2	-174	0	0	0	0	0	113.7	H660 L661 L662 L688	H660-A690 PolarHBondContact O-N 3.36Å; H660-A690 VanDerWaalsContact O-N 3.1Å; L661-A690 WeakPolarHBondContact CA-O 3.35Å; L661-A690 HydrophobicContact CD1-CB 3.73Å; L662-A690 PolarHBondContact N-O 3.47Å; L688-A690 VanDerWaalsContact CD1-O 3.32Å; L688-A690 WeakPolarHBondContact CD1-O 3.48Å
691	L	94.3	Very high	82.7	Confident	0 Å²	0	72.3 Å²	72.3	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	118.7	176.8	172.6	58.5	0	0	0	109.9	L662 I677 M693 F708 L711 S716 V717 V718	L662-L691 HydrophobicContact CB-CD1 4Å; L662-L691 HydrophobicContact CD2-CD1 3.89Å; L662-L691 HydrophobicContact CG-CD1 3.9Å; L662-L691 WeakPolarHBondContact O-CA 3.4Å; I677-L691 HydrophobicContact CD1-CD2 3.99Å; I677-L691 HydrophobicContact CG2-CD2 4.22Å; L691-M693 HydrophobicContact CD1-CG 3.76Å; L691-M693 HydrophobicContact CD1-SD 4.03Å; L691-M693 HydrophobicContact CD2-CG 4.45Å; L691-M693 HydrophobicContact CD2-SD 3.97Å; L691-M693 HydrophobicContact CG-CG 3.91Å; L691-M693 HydrophobicContact CG-SD 4.09Å; L691-F708 HydrophobicContact CD2-CD1 4.14Å; L691-F708 HydrophobicContact CD2-CE1 3.78Å; L691-L711 HydrophobicContact CD2-CD1 4.17Å; L691-S716 PolarHBondContact N-O 3.06Å; L691-V717 HydrophobicContact CB-CG2 4.5Å; L691-V717 HydrophobicContact CD2-CG1 4.15Å; L691-V717 HydrophobicContact CD2-CG2 4.17Å; L691-V717 HydrophobicContact CG-CG1 4.4Å; L691-V718 PolarHBondContact O-N 2.87Å
692	R	95.8	Very high	83.3	Confident	96 Å²	96	72.5 Å²	72.5	36%	0.362	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	121.5	178.5	-53.6	-58.2	172.7	142.7	-6.6	110.6	L662 R663 L664 D665 E694	L662-R692 PolarHBondContact O-N 3.01Å; R663-R692 HydrophobicContact CB-CB 4.45Å; R663-R692 HydrophobicContact CG-CB 4.09Å; R663-R692 HydrophobicContact CG-CG 3.96Å; L664-R692 CarbonylContact C-O 3.19Å; L664-R692 WeakPolarHBondContact CA-O 3.31Å; L664-R692 PolarHBondContact N-O 2.77Å; D665-R692 HydrophobicContact CB-CB 4.24Å; D665-R692 PolarHBondContact N-O 2.81Å; R692-E694 WeakPolarHBondContact CA-OE2 3.44Å; R692-E694 WeakPolarHBondContact CB-OE2 3.41Å
693	M	94.8	Very high	84.2	Confident	0 Å²	0	68.3 Å²	68.3	0%	0	35%	0.349	C	S	.	.			trans	-139.3	7.4	-177.1	-57.9	-167.6	84.8	0	0	113	V649 L664 I669 I672 I677 L691 N696 I698 V718 L719 Q722	V649-M693 HydrophobicContact CG2-CE 3.86Å; L664-M693 HydrophobicContact CB-CG 4.45Å; L664-M693 HydrophobicContact CD1-CE 4.01Å; I669-M693 HydrophobicContact CD1-CE 4.28Å; I672-M693 HydrophobicContact CD1-CE 3.63Å; I672-M693 HydrophobicContact CD1-SD 3.7Å; I672-M693 HydrophobicContact CG1-CE 4.04Å; I677-M693 HydrophobicContact CD1-CE 4.25Å; I677-M693 HydrophobicContact CD1-SD 4.01Å; L691-M693 HydrophobicContact CD1-CG 3.76Å; L691-M693 HydrophobicContact CD1-SD 4.03Å; L691-M693 HydrophobicContact CD2-CG 4.45Å; L691-M693 HydrophobicContact CD2-SD 3.97Å; L691-M693 HydrophobicContact CG-CG 3.91Å; L691-M693 HydrophobicContact CG-SD 4.09Å; M693-N696 PolarHBondContact O-ND2 3.19Å; M693-I698 HydrophobicContact CB-CD1 4.27Å; M693-I698 HydrophobicContact CE-CD1 4.08Å; M693-V718 PolarHBondContact N-O 3.34Å; M693-L719 HydrophobicContact CB-CD1 4.03Å; M693-Q722 PolarHBondContact O-NE2 3Å
694	E	94.7	Very high	85.7	Confident	33 Å²	33	60.6 Å²	60.6	15%	0.154	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	159.6	174.1	59.5	-90.6	-134.2	0	0	112.6	D665 S666 R692 N696 V718 P721	D665-E694 CarbonylContact C-O 3.41Å; D665-E694 VanDerWaalsContact CA-O 3.26Å; D665-E694 WeakPolarHBondContact CA-O 3.49Å; D665-E694 HydrophobicContact CB-CG 3.88Å; D665-E694 WeakPolarHBondContact CB-O 3.48Å; S666-E694 PolarHBondContact N-O 2.86Å; R692-E694 WeakPolarHBondContact CA-OE2 3.44Å; R692-E694 WeakPolarHBondContact CB-OE2 3.41Å; E694-N696 PolarHBondContact O-N 2.92Å; E694-N696 PolarHBondContact O-ND2 3.24Å; E694-V718 HydrophobicContact CB-CG1 4.32Å; E694-V718 HydrophobicContact CG-CG1 4.42Å; E694-V718 PolarHBondContact N-O 2.88Å; E694-V718 WeakPolarHBondContact OE2-CG1 3.47Å; E694-V718 VanDerWaalsContact OE2-O 3.13Å; E694-P721 CarbonylContact C-O 3.19Å; E694-P721 WeakPolarHBondContact CA-O 3.46Å
695	N	95.3	Very high	86.7	Confident	58 Å²	58	58.3 Å²	58.3	31%	0.31	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.4	28.1	-179	-60	-43.8	0	0	0	114.7	S666 P721 K723	S666-N695 WeakPolarHBondContact CA-O 3.38Å; N695-P721 PolarHBondContact N-O 3.22Å; N695-K723 WeakPolarHBondContact O-CD 3.46Å; N695-K723 WeakPolarHBondContact O-CE 3.47Å; N695-K723 PolarHBondContact O-NZ 3.4Å
696	N	94.9	Very high	87.8	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	30%	0.299	C	S	.	.	S	Bend	trans	-95	-160.3	167.9	-82.5	-75.7	0	0	0	111.1	L664 N667 R668 I669 M693 E694 I698 Q722 K723	L664-N696 PolarHBondContact O-ND2 3.44Å; N667-N696 VanDerWaalsContact CA-OD1 3.29Å; N667-N696 WeakPolarHBondContact CA-OD1 3.46Å; N667-N696 WeakPolarHBondContact CB-OD1 3.27Å; N667-N696 PolarHBondContact O-OD1 3.18Å; R668-N696 PolarHBondContact N-OD1 3.38Å; I669-N696 HydrophobicContact CB-CB 4.22Å; I669-N696 WeakPolarHBondContact CB-OD1 3.41Å; I669-N696 WeakPolarHBondContact CG1-OD1 3.34Å; I669-N696 PolarHBondContact N-OD1 3.01Å; M693-N696 PolarHBondContact O-ND2 3.19Å; E694-N696 PolarHBondContact O-N 2.92Å; E694-N696 PolarHBondContact O-ND2 3.24Å; N696-I698 HydrophobicContact CB-CD1 3.77Å; N696-I698 HydrophobicContact CB-CG1 3.95Å; N696-Q722 PolarHBondContact O-OE1 3.42Å; N696-Q722 VanDerWaalsContact O-OE1 3.1Å; N696-K723 VanDerWaalsContact O-CB 3.28Å; N696-K723 WeakPolarHBondContact O-CB 3.3Å; N696-K723 PolarHBondContact O-N 2.86Å
697	Y	93.7	Very high	88.6	Confident	80 Å²	80	51.5 Å²	51.5	31%	0.314	29%	0.286	S	S	.	.			trans	-119.8	33.4	172.7	-61.8	-85.2	0	0	0	111.9	R668 I669 K723 I725	R668-Y697 HydrophobicContact CB-CD2 4.37Å; R668-Y697 HydrophobicContact CB-CE2 4.33Å; R668-Y697 HydrophobicContact CG-CE2 4.38Å; I669-Y697 CarbonylContact O-C 3.12Å; I669-Y697 VanDerWaalsContact O-C 3.27Å; I669-Y697 WeakPolarHBondContact O-CA 3.25Å; I669-Y697 PolarHBondContact O-N 3.29Å; Y697-K723 HydrophobicContact CD1-CB 3.73Å; Y697-K723 VanDerWaalsContact CD1-O 3.27Å; Y697-K723 WeakPolarHBondContact CD1-O 3.27Å; Y697-K723 HydrophobicContact CE1-CB 3.47Å; Y697-K723 VanDerWaalsContact CE1-CB 3.47Å; Y697-K723 HydrophobicContact CE1-CD 4.17Å; Y697-K723 HydrophobicContact CE1-CG 4.46Å; Y697-K723 HydrophobicContact CE2-CD 4.01Å; Y697-K723 HydrophobicContact CG-CB 4.43Å; Y697-I725 HydrophobicContact CD1-CG1 3.94Å
698	I	92	Very high	89	Confident	7 Å²	7	51.3 Å²	51.3	4%	0.036	28%	0.281	C	S	.	.			trans	-79.5	124.7	-174.7	-58.2	157.6	0	0	0	109.4	I669 I672 M693 N696 A700 V703 L719	I669-I698 HydrophobicContact CB-CD1 4.39Å; I669-I698 HydrophobicContact CB-CG1 4.33Å; I669-I698 HydrophobicContact CG2-CD1 4.17Å; I669-I698 HydrophobicContact CG2-CG1 4.04Å; I669-I698 PolarHBondContact O-N 2.76Å; I672-I698 HydrophobicContact CD1-CD1 4.22Å; I672-I698 HydrophobicContact CD1-CG2 4.43Å; I672-I698 HydrophobicContact CG1-CD1 4.5Å; M693-I698 HydrophobicContact CB-CD1 4.27Å; M693-I698 HydrophobicContact CE-CD1 4.08Å; N696-I698 HydrophobicContact CB-CD1 3.77Å; N696-I698 HydrophobicContact CB-CG1 3.95Å; I698-A700 PolarHBondContact O-N 2.96Å; I698-V703 HydrophobicContact CG2-CG2 3.52Å; I698-L719 HydrophobicContact CB-CD1 4.46Å; I698-L719 HydrophobicContact CD1-CD1 3.83Å; I698-L719 HydrophobicContact CG2-CD1 4.25Å
699	D	87.4	Confident	88.9	Confident	86 Å²	86	54 Å²	54	46%	0.46	30%	0.301	S	S	.	.			trans	-81.4	115	165.7	-159.9	-40.3	0	0	0	109.4	M701 D702	D699-M701 PolarHBondContact O-N 3.13Å; D699-M701 VanDerWaalsContact O-N 3.15Å; D699-M701 WeakPolarHBondContact OD1-CB 3.4Å; D699-M701 PolarHBondContact OD1-N 2.71Å; D699-D702 HydrophobicContact CB-CB 4.44Å; D699-D702 PolarHBondContact O-N 2.69Å; D699-D702 VanDerWaalsContact O-N 3.1Å
700	A	81.9	Confident	88.7	Confident	45 Å²	45	50.3 Å²	50.3	37%	0.372	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-5.5	-178.4	0	0	0	0	0	113.8	I698 L719	I698-A700 PolarHBondContact O-N 2.96Å; A700-L719 HydrophobicContact CB-CD2 4.17Å
701	M	80.9	Confident	88.4	Confident	172 Å²	172	50.4 Å²	50.4	85%	0.847	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-23.3	170.5	-61.6	-63.7	-178.4	0	0	113	D699	D699-M701 PolarHBondContact O-N 3.13Å; D699-M701 VanDerWaalsContact O-N 3.15Å; D699-M701 WeakPolarHBondContact OD1-CB 3.4Å; D699-M701 PolarHBondContact OD1-N 2.71Å
702	D	84.4	Confident	87.5	Confident	140 Å²	140	58.1 Å²	58.1	75%	0.749	31%	0.306	S	S	*	.	S	Bend	trans	-94.4	-4.6	-176.9	-70.4	-18.6	0	0	0	112.8	D699	D699-D702 HydrophobicContact CB-CB 4.44Å; D699-D702 PolarHBondContact O-N 2.69Å; D699-D702 VanDerWaalsContact O-N 3.1Å
703	V	86.4	Confident	86.7	Confident	20 Å²	20	60.1 Å²	60.1	12%	0.121	32%	0.315	C	S	.	.	S	Bend	trans	-88.1	120.3	178.3	-179.9	0	0	0	0	110.7	I672 I698 F708	I672-V703 HydrophobicContact CB-CG1 4.24Å; I672-V703 HydrophobicContact CB-CG2 4.39Å; I672-V703 HydrophobicContact CD1-CG1 4.24Å; I672-V703 HydrophobicContact CD1-CG2 4.19Å; I672-V703 HydrophobicContact CG1-CG2 4.36Å; I698-V703 HydrophobicContact CG2-CG2 3.52Å; V703-F708 HydrophobicContact CG1-CD2 4.46Å; V703-F708 HydrophobicContact CG1-CE2 3.62Å; V703-F708 HydrophobicContact CG1-CZ 4.09Å
704	S	87.1	Confident	85.6	Confident	35 Å²	35	63.6 Å²	63.6	25%	0.245	35%	0.351	C	S	.	.			trans	-67.6	136	173.3	-179.5	0	0	0	0	111.6	E674 A706 A707	E674-S704 WeakPolarHBondContact OE1-CB 3.39Å; E674-S704 PolarHBondContact OE1-OG 3.42Å; S704-A706 PolarHBondContact O-N 2.87Å; S704-A706 VanDerWaalsContact O-N 3.12Å; S704-A706 PolarHBondContact OG-N 3.26Å; S704-A707 WeakPolarHBondContact O-CB 3.14Å; S704-A707 PolarHBondContact O-N 2.91Å; S704-A707 VanDerWaalsContact O-N 3.14Å
705	P	83.5	Confident	84.9	Confident	109 Å²	109	67.1 Å²	67.1	71%	0.708	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-57.4	-22.7	171.3	-25.1	35	0	0	0	114.2	A707 F708	P705-A707 PolarHBondContact O-N 3.32Å; P705-F708 PolarHBondContact O-N 3.32Å
706	A	84.6	Confident	84.5	Confident	32 Å²	32	65.1 Å²	65.1	26%	0.264	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-62.6	-30.6	177.3	0	0	0	0	0	112.7	E674 S704 F708 S709	E674-A706 HydrophobicContact CB-CB 4.25Å; E674-A706 HydrophobicContact CG-CB 4.31Å; S704-A706 PolarHBondContact O-N 2.87Å; S704-A706 VanDerWaalsContact O-N 3.12Å; S704-A706 PolarHBondContact OG-N 3.26Å; A706-F708 PolarHBondContact O-N 3.12Å; A706-S709 VanDerWaalsContact O-CB 3.28Å; A706-S709 WeakPolarHBondContact O-CB 3.26Å; A706-S709 PolarHBondContact O-N 2.97Å; A706-S709 PolarHBondContact O-OG 2.79Å; A706-S709 VanDerWaalsContact O-OG 3.12Å
707	A	86	Confident	84.3	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-64.2	-10.4	177.2	0	0	0	0	0	114.1	I672 S704 P705	I672-A707 HydrophobicContact CG2-CB 3.78Å; S704-A707 WeakPolarHBondContact O-CB 3.14Å; S704-A707 PolarHBondContact O-N 2.91Å; S704-A707 VanDerWaalsContact O-N 3.14Å; P705-A707 PolarHBondContact O-N 3.32Å
708	F	87.9	Confident	84.2	Confident	39 Å²	39	64.6 Å²	64.6	17%	0.171	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-123.4	16.3	176.8	-54.5	-57.7	0	0	0	112.4	I672 I677 C678 L691 V703 P705 A706 C710 L711 V717	I672-F708 HydrophobicContact CD1-CE1 4.34Å; I672-F708 HydrophobicContact CD1-CZ 3.77Å; I677-F708 HydrophobicContact CD1-CD1 4.49Å; I677-F708 HydrophobicContact CD1-CE1 3.9Å; C678-F708 VanDerWaalsContact SG-C 3.5Å; L691-F708 HydrophobicContact CD2-CD1 4.14Å; L691-F708 HydrophobicContact CD2-CE1 3.78Å; V703-F708 HydrophobicContact CG1-CD2 4.46Å; V703-F708 HydrophobicContact CG1-CE2 3.62Å; V703-F708 HydrophobicContact CG1-CZ 4.09Å; P705-F708 PolarHBondContact O-N 3.32Å; A706-F708 PolarHBondContact O-N 3.12Å; F708-C710 PolarHBondContact O-N 3.11Å; F708-L711 HydrophobicContact CB-CD1 4.19Å; F708-L711 HydrophobicContact CD1-CD1 3.99Å; F708-L711 HydrophobicContact CG-CD1 4.48Å; F708-L711 PolarHBondContact O-N 2.66Å; F708-V717 HydrophobicContact CD1-CG2 4.28Å; F708-V717 HydrophobicContact CE1-CG1 4.28Å; F708-V717 HydrophobicContact CZ-CG1 4.33Å
709	S	84.4	Confident	84.1	Confident	70 Å²	70	65.8 Å²	65.8	49%	0.49	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53	-37.4	-174.7	57.8	0	0	0	0	114.3	C678 A706 L711	C678-S709 WeakPolarHBondContact CB-OG 3.33Å; A706-S709 VanDerWaalsContact O-CB 3.28Å; A706-S709 WeakPolarHBondContact O-CB 3.26Å; A706-S709 PolarHBondContact O-N 2.97Å; A706-S709 PolarHBondContact O-OG 2.79Å; A706-S709 VanDerWaalsContact O-OG 3.12Å; S709-L711 VanDerWaalsContact C-N 3.33Å
710	C	82.4	Confident	84.1	Confident	15 Å²	15	68.9 Å²	68.9	10%	0.101	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-9.8	-177.2	66.8	0	0	0	0	114.4	C678 T686 F708	C678-C710 VanDerWaalsContact CA-SG 3.55Å; C678-C710 HydrophobicContact CB-CB 3.69Å; C678-C710 WeakPolarHBondContact CB-SG 3.39Å; C678-C710 WeakPolarHBondContact SG-CB 3.48Å; C678-C710 PolarHBondContact SG-N 3.07Å; C678-C710 CovalentContact SG-SG 2.04Å; C678-C710 PolarHBondContact SG-SG 3.47Å; T686-C710 HydrophobicContact CG2-CB 3.71Å; T686-C710 VanDerWaalsContact CG2-SG 3.55Å; T686-C710 PolarHBondContact OG1-O 3.39Å; T686-C710 PolarHBondContact OG1-SG 3.48Å; F708-C710 PolarHBondContact O-N 3.11Å
711	L	84.2	Confident	84.6	Confident	21 Å²	21	70.6 Å²	70.6	11%	0.11	40%	0.397	C	S	.	.			trans	-88.2	116	-175.5	-65.7	-179	0	0	0	112.4	L688 L691 F708 S709 Y713 V717	L688-L711 HydrophobicContact CB-CD2 3.71Å; L688-L711 HydrophobicContact CD2-CD2 3.94Å; L688-L711 HydrophobicContact CG-CD2 3.77Å; L688-L711 WeakPolarHBondContact O-CD2 3.13Å; L691-L711 HydrophobicContact CD2-CD1 4.17Å; F708-L711 HydrophobicContact CB-CD1 4.19Å; F708-L711 HydrophobicContact CD1-CD1 3.99Å; F708-L711 HydrophobicContact CG-CD1 4.48Å; F708-L711 PolarHBondContact O-N 2.66Å; S709-L711 VanDerWaalsContact C-N 3.33Å; L711-Y713 VanDerWaalsContact C-N 3.29Å; L711-Y713 PolarHBondContact O-N 3.34Å; L711-V717 HydrophobicContact CD1-CG2 3.33Å
712	R	74.9	Confident	85.2	Confident	162 Å²	162	64.4 Å²	64.4	61%	0.611	37%	0.366	S	S	*	.	S	Bend	trans	-62.6	-27.5	-174.1	-168.5	173	-179.4	137.5	1.3	115.2	E685	E685-R712 IonicContact OE1-NH1 3.96Å; E685-R712 WeakPolarHBondContact OE2-CD 3.48Å; E685-R712 IonicContact OE2-CZ 2.69Å; E685-R712 IonicContact OE2-NE 3.14Å; E685-R712 IonicContact OE2-NH1 2.8Å; E685-R712 PolarHBondContact OE2-NH1 3Å
713	Y	79.4	Confident	85.4	Confident	139 Å²	139	61.2 Å²	61.2	55%	0.545	35%	0.346	S	S	.	.			trans	-139.1	130.7	-179.5	-56	-72.1	0	0	0	111.7	L711 S715 S716	L711-Y713 VanDerWaalsContact C-N 3.29Å; L711-Y713 PolarHBondContact O-N 3.34Å; Y713-S715 PolarHBondContact O-N 3.33Å; Y713-S715 VanDerWaalsContact O-N 3.09Å; Y713-S716 VanDerWaalsContact O-CB 3.25Å; Y713-S716 WeakPolarHBondContact O-CB 3.48Å; Y713-S716 PolarHBondContact O-N 3.34Å; Y713-S716 PolarHBondContact O-OG 2.81Å
714	G	71.9	Confident	85	Confident	73 Å²	73	66.3 Å²	66.3	75%	0.753	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-61.9	-18.2	175.3	0	0	0	0	0	114.4	S716 V717	G714-S716 VanDerWaalsContact C-N 3.25Å; G714-S716 PolarHBondContact O-N 2.91Å; G714-V717 PolarHBondContact O-N 3.06Å
715	S	80.5	Confident	84	Confident	106 Å²	106	69.6 Å²	69.6	74%	0.741	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-72.2	-13.7	172.1	52.3	0	0	0	0	114.2	Y713 V717	Y713-S715 PolarHBondContact O-N 3.33Å; Y713-S715 VanDerWaalsContact O-N 3.09Å; S715-V717 VanDerWaalsContact C-N 3.28Å
716	S	85.9	Confident	82.3	Confident	16 Å²	16	72.6 Å²	72.6	11%	0.112	40%	0.395	C	S	.	.	G	3₁₀ helix	trans	-71.3	-22.5	174	-68.2	0	0	0	0	112.6	V689 L691 Y713 G714	V689-S716 WeakPolarHBondContact O-CB 3.31Å; V689-S716 PolarHBondContact O-OG 3.39Å; L691-S716 PolarHBondContact N-O 3.06Å; Y713-S716 VanDerWaalsContact O-CB 3.25Å; Y713-S716 WeakPolarHBondContact O-CB 3.48Å; Y713-S716 PolarHBondContact O-N 3.34Å; Y713-S716 PolarHBondContact O-OG 2.81Å; G714-S716 VanDerWaalsContact C-N 3.25Å; G714-S716 PolarHBondContact O-N 2.91Å
717	V	90.5	Very high	80.5	Confident	30 Å²	30	81 Å²	81	18%	0.182	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	120.2	-178.7	-170.9	0	0	0	0	111.1	L691 F708 L711 G714 S715 L719	L691-V717 HydrophobicContact CB-CG2 4.5Å; L691-V717 HydrophobicContact CD2-CG1 4.15Å; L691-V717 HydrophobicContact CD2-CG2 4.17Å; L691-V717 HydrophobicContact CG-CG1 4.4Å; F708-V717 HydrophobicContact CD1-CG2 4.28Å; F708-V717 HydrophobicContact CE1-CG1 4.28Å; F708-V717 HydrophobicContact CZ-CG1 4.33Å; L711-V717 HydrophobicContact CD1-CG2 3.33Å; G714-V717 PolarHBondContact O-N 3.06Å; S715-V717 VanDerWaalsContact C-N 3.28Å; V717-L719 HydrophobicContact CG1-CB 4.28Å
718	V	91.7	Very high	78.3	Confident	39 Å²	39	87.9 Å²	87.9	24%	0.236	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	99.9	167.4	-177.6	0	0	0	0	109.2	L691 M693 E694	L691-V718 PolarHBondContact O-N 2.87Å; M693-V718 PolarHBondContact N-O 3.34Å; E694-V718 HydrophobicContact CB-CG1 4.32Å; E694-V718 HydrophobicContact CG-CG1 4.42Å; E694-V718 PolarHBondContact N-O 2.88Å; E694-V718 WeakPolarHBondContact OE2-CG1 3.47Å; E694-V718 VanDerWaalsContact OE2-O 3.13Å
719	L	89.6	Confident	76	Confident	32 Å²	32	93.4 Å²	93.4	17%	0.168	48%	0.481	C	S	.	.			trans	-102.8	-2	-178.1	-168	59.3	0	0	0	113.1	M693 I698 A700 V717 Q722	M693-L719 HydrophobicContact CB-CD1 4.03Å; I698-L719 HydrophobicContact CB-CD1 4.46Å; I698-L719 HydrophobicContact CD1-CD1 3.83Å; I698-L719 HydrophobicContact CG2-CD1 4.25Å; A700-L719 HydrophobicContact CB-CD2 4.17Å; V717-L719 HydrophobicContact CG1-CB 4.28Å; L719-Q722 WeakPolarHBondContact O-CG 3.49Å; L719-Q722 PolarHBondContact O-NE2 3.29Å
720	K	88.2	Confident	73.9	Confident	151 Å²	151	101.3 Å²	101.3	66%	0.657	50%	0.5	S	S	*	.			trans	-136.4	145.9	-177	-72	-175.3	179.8	176	0	111.7
721	P	92.6	Very high	71.9	Confident	82 Å²	82	105.7 Å²	105.7	53%	0.532	53%	0.527	S	S	.	.	S	Bend	cis	-72	169.2	4.7	30.8	-37.4	0	0	0	114.5	E694 N695	E694-P721 CarbonylContact C-O 3.19Å; E694-P721 WeakPolarHBondContact CA-O 3.46Å; N695-P721 PolarHBondContact N-O 3.22Å
722	Q	92.6	Very high	69.9	Low	42 Å²	42	116.3 Å²	116.3	20%	0.196	57%	0.566	C	S	.	*			trans	-128	149.3	171.4	-68.9	-67	-44.8	0	0	108.8	M693 N696 L719	M693-Q722 PolarHBondContact O-NE2 3Å; N696-Q722 PolarHBondContact O-OE1 3.42Å; N696-Q722 VanDerWaalsContact O-OE1 3.1Å; L719-Q722 WeakPolarHBondContact O-CG 3.49Å; L719-Q722 PolarHBondContact O-NE2 3.29Å
723	K	89.2	Confident	68.3	Low	73 Å²	73	120.5 Å²	120.5	32%	0.317	59%	0.591	S	S	.	*			trans	-75.6	124.2	179.9	-64.6	167.1	177.5	145.1	0	109.8	S666 N667 N695 N696 Y697 I725	S666-K723 PolarHBondContact O-NZ 3.43Å; N667-K723 PolarHBondContact O-NZ 3.38Å; N667-K723 VanDerWaalsContact O-NZ 3.09Å; N695-K723 WeakPolarHBondContact O-CD 3.46Å; N695-K723 WeakPolarHBondContact O-CE 3.47Å; N695-K723 PolarHBondContact O-NZ 3.4Å; N696-K723 VanDerWaalsContact O-CB 3.28Å; N696-K723 WeakPolarHBondContact O-CB 3.3Å; N696-K723 PolarHBondContact O-N 2.86Å; Y697-K723 HydrophobicContact CD1-CB 3.73Å; Y697-K723 VanDerWaalsContact CD1-O 3.27Å; Y697-K723 WeakPolarHBondContact CD1-O 3.27Å; Y697-K723 HydrophobicContact CE1-CB 3.47Å; Y697-K723 VanDerWaalsContact CE1-CB 3.47Å; Y697-K723 HydrophobicContact CE1-CD 4.17Å; Y697-K723 HydrophobicContact CE1-CG 4.46Å; Y697-K723 HydrophobicContact CE2-CD 4.01Å; Y697-K723 HydrophobicContact CG-CB 4.43Å; K723-I725 PolarHBondContact O-N 3.2Å
724	T	78.8	Confident	67.7	Low	126 Å²	126	119.6 Å²	119.6	77%	0.773	59%	0.594	S	S	*	*			trans	-66.2	124.1	179.2	-41.6	0	0	0	0	111.1	Q726	T724-Q726 PolarHBondContact O-N 3.2Å
725	I	64.5	Low	67.5	Low	104 Å²	104	122 Å²	122	53%	0.533	59%	0.585	S	S	.	*			trans	-67.1	101.7	171	-58.3	174.9	0	0	0	108.5	Y697 K723 R727	Y697-I725 HydrophobicContact CD1-CG1 3.94Å; K723-I725 PolarHBondContact O-N 3.2Å; I725-R727 VanDerWaalsContact C-N 3.27Å; I725-R727 HydrophobicContact CG2-CG 4.24Å; I725-R727 PolarHBondContact O-N 3.08Å
726	Q	49.4	Very low	66.8	Low	172 Å²	172	122.9 Å²	122.9	80%	0.804	58%	0.577	S	S	*	*			trans	-66.4	89.4	167.4	-73.5	-165.4	3	0	0	109.4	T724 I728	T724-Q726 PolarHBondContact O-N 3.2Å; Q726-I728 VanDerWaalsContact C-N 3.27Å; Q726-I728 PolarHBondContact O-N 3.01Å
727	R	45.1	Very low	65.6	Low	210 Å²	210	129.2 Å²	129.2	79%	0.792	60%	0.604	S	S	*	*			trans	-64.8	90.5	167	-74.5	-174.7	175	178.5	1.1	108.4	I725 H729	I725-R727 VanDerWaalsContact C-N 3.27Å; I725-R727 HydrophobicContact CG2-CG 4.24Å; I725-R727 PolarHBondContact O-N 3.08Å; R727-H729 VanDerWaalsContact C-N 3.27Å; R727-H729 PolarHBondContact O-N 3.26Å
728	I	39.9	Very low	64.1	Low	143 Å²	143	135.4 Å²	135.4	73%	0.733	63%	0.63	S	S	*	*			trans	-61.8	95.3	166.5	-58.9	177	0	0	0	107	Q726 R730	Q726-I728 VanDerWaalsContact C-N 3.27Å; Q726-I728 PolarHBondContact O-N 3.01Å; I728-R730 VanDerWaalsContact C-N 3.3Å; I728-R730 PolarHBondContact O-N 2.68Å
729	H	39.5	Very low	62.3	Low	155 Å²	155	141.8 Å²	141.8	72%	0.718	66%	0.657	S	S	*	*			trans	-64.2	95.7	166.8	-80.9	-17.7	0	0	0	108.1	R727 T731	R727-H729 VanDerWaalsContact C-N 3.27Å; R727-H729 PolarHBondContact O-N 3.26Å; H729-T731 PolarHBondContact O-N 2.86Å
730	R	41.6	Very low	60.3	Low	236 Å²	236	149.6 Å²	149.6	89%	0.891	69%	0.692	S	S	*	*			trans	-63	84	157.6	-85.1	-175.8	165.5	175.8	-3.8	107.9	I728 R732	I728-R730 VanDerWaalsContact C-N 3.3Å; I728-R730 PolarHBondContact O-N 2.68Å; R730-R732 PolarHBondContact O-N 3.33Å
731	T	38.9	Very low	58.1	Low	108 Å²	108	149.5 Å²	149.5	66%	0.663	69%	0.694	S	S	*	*			trans	-57.6	103.9	165	40.9	0	0	0	0	108	H729 H733	H729-T731 PolarHBondContact O-N 2.86Å; T731-H733 PolarHBondContact O-N 2.67Å
732	R	42.7	Very low	55.3	Low	244 Å²	244	155.2 Å²	155.2	92%	0.921	71%	0.708	S	S	*	*			trans	-67.8	109.7	163.4	-80.2	-178.5	168.4	175	-3.7	107.5	R730	R730-R732 PolarHBondContact O-N 3.33Å
733	H	41.2	Very low	51.9	Low	249 Å²	249	165.5 Å²	165.5	100%	1.153	75%	0.754	S	S	*	*			trans	-108.6	0	157.3	-80.3	-57.8	0	0	0	108.1	T731	T731-H733 PolarHBondContact O-N 2.67Å

Retrieved 733 of 733 residues in 1186.5 ms (Link to these results)

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