A0A3Q0KHT1_SCHMA Loading...

Pre-mRNA-processing factor 17

AlphaFold DB , UniProt , Accession A0A3Q0KHT1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 561 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.6	Very low	38.8	Very low	238 Å²	238	144.9 Å²	144.9	100%	1.172	83%	0.83	S	S	*	*				0	104.1	0	-65.6	-176.6	178.8	0	0	104.4
2	D	43.6	Very low	38.6	Very low	173 Å²	173	142.6 Å²	142.6	93%	0.925	83%	0.829	S	S	*	*				-114.7	140.1	50.1	-64.3	-40.6	0	0	0	115.5
3	G	42.7	Very low	38.2	Very low	78 Å²	78	142.7 Å²	142.7	80%	0.804	82%	0.824	S	S	*	*			trans	-98.4	139.3	176	0	0	0	0	0	111.6
4	I	40.4	Very low	38.3	Very low	167 Å²	167	143.7 Å²	143.7	86%	0.856	83%	0.825	S	S	*	*			trans	-92.9	123.6	163.5	-77.9	165.4	0	0	0	106.3
5	V	43.3	Very low	38.3	Very low	125 Å²	125	145.6 Å²	145.6	76%	0.758	82%	0.824	S	S	*	*			trans	-167.7	111.8	149.7	156.6	0	0	0	0	110
6	T	42.7	Very low	37.9	Very low	111 Å²	111	144.7 Å²	144.7	68%	0.681	81%	0.814	S	S	*	*			trans	71.2	113.6	138.6	65.5	0	0	0	0	124
7	Y	40.1	Very low	37.4	Very low	196 Å²	196	141.4 Å²	141.4	77%	0.769	80%	0.803	S	S	*	*				65.8	121	114.4	-84.8	-93.3	0	0	0	122.6
8	E	33.4	Very low	37	Very low	162 Å²	162	143.7 Å²	143.7	76%	0.757	80%	0.802	S	S	*	*			trans	66.6	105.6	141.2	-81.4	171.2	-158.2	0	0	119.5
9	S	34.8	Very low	36.7	Very low	113 Å²	113	144.9 Å²	144.9	79%	0.79	80%	0.802	S	S	*	*				163.7	141.8	96	50.6	0	0	0	0	111.8
10	S	35.7	Very low	36.4	Very low	117 Å²	117	145 Å²	145	82%	0.818	80%	0.8	S	S	*	*				145.2	122.8	128.4	68.9	0	0	0	0	113.4
11	S	32.9	Very low	36.2	Very low	114 Å²	114	145.1 Å²	145.1	80%	0.797	81%	0.805	S	S	*	*			trans	-87.4	143.5	162	60.3	0	0	0	0	109.9
12	S	35.6	Very low	36.1	Very low	117 Å²	117	138.2 Å²	138.2	82%	0.818	79%	0.786	S	S	*	*			trans	-172.8	145.6	136	26.6	0	0	0	0	110.5
13	D	34.2	Very low	35.9	Very low	144 Å²	144	135.1 Å²	135.1	77%	0.77	78%	0.776	S	S	*	*			trans	-61.4	148.4	-176.3	-59.5	-61.6	0	0	0	114.2	E15	D13-E15 PolarHBondContact O-N 3.2Å; D13-E15 VanDerWaalsContact O-N 3.15Å
14	D	39.8	Very low	35.6	Very low	157 Å²	157	137.4 Å²	137.4	84%	0.84	77%	0.774	S	S	*	*			trans	29.3	65.2	138.6	-68.9	-27.8	0	0	0	119.7
15	E	37.9	Very low	35.4	Very low	172 Å²	172	137.8 Å²	137.8	80%	0.804	77%	0.772	S	S	*	*			trans	-142.5	110.7	168.4	-77.6	-155.6	163.7	0	0	116.8	D13	D13-E15 PolarHBondContact O-N 3.2Å; D13-E15 VanDerWaalsContact O-N 3.15Å
16	I	32	Very low	35	Very low	131 Å²	131	140 Å²	140	67%	0.672	78%	0.779	S	S	*	*				59.9	100.9	117.5	-59	168.7	0	0	0	117.3
17	S	29.6	Very low	34.9	Very low	89 Å²	89	142.7 Å²	142.7	62%	0.622	79%	0.788	S	S	*	*				35.3	133.5	125	79	0	0	0	0	122.2
18	K	30.7	Very low	35	Very low	182 Å²	182	143.1 Å²	143.1	79%	0.791	79%	0.794	S	S	*	*			trans	74.8	134.7	131.5	-78.3	176.7	-179.5	178.2	0	120.1
19	Q	30.7	Very low	35.3	Very low	168 Å²	168	139.6 Å²	139.6	79%	0.785	79%	0.787	S	S	*	*			trans	100.5	108.9	142.5	-74	162.9	-5.3	0	0	120.4
20	D	30.2	Very low	36.3	Very low	145 Å²	145	139.9 Å²	139.9	78%	0.775	79%	0.79	S	S	*	*				24.2	129.5	126.6	-58.9	-41.6	0	0	0	119.9
21	T	32.8	Very low	37	Very low	148 Å²	148	142.2 Å²	142.2	91%	0.908	79%	0.792	S	S	*	*				154.1	136.8	119.3	48.3	0	0	0	0	115
22	A	34.8	Very low	37.8	Very low	93 Å²	93	143 Å²	143	77%	0.769	79%	0.786	S	S	*	*			trans	-72.6	-167.4	-179.7	0	0	0	0	0	114.3
23	P	40.8	Very low	38.2	Very low	109 Å²	109	146.8 Å²	146.8	71%	0.708	79%	0.788	S	S	*	*			cis	-134.8	-167.9	-10.1	35.5	-13.2	0	0	0	114.2
24	T	34.6	Very low	39	Very low	126 Å²	126	144.4 Å²	144.4	77%	0.773	78%	0.782	S	S	*	*			trans	91.4	123.1	172.4	70.6	0	0	0	0	114.8
25	Q	37.3	Very low	39.7	Very low	175 Å²	175	143.8 Å²	143.8	82%	0.818	78%	0.777	S	S	*	*			cis	-150.5	148.4	49.9	-70.2	176.7	-9.9	0	0	112.9	L27	Q25-L27 PolarHBondContact O-N 3.43Å
26	L	34.6	Very low	40.4	Very low	172 Å²	172	142.3 Å²	142.3	90%	0.901	78%	0.775	S	S	*	*			trans	-65.8	114.4	-176.1	-68	93.8	0	0	0	113.4
27	L	40.1	Very low	41.6	Very low	166 Å²	166	142.7 Å²	142.7	87%	0.869	78%	0.783	S	S	*	*			trans	-141.2	98	166	-74.7	169.3	0	0	0	110.3	Q25	Q25-L27 PolarHBondContact O-N 3.43Å
28	K	43.4	Very low	42.8	Very low	205 Å²	205	141.9 Å²	141.9	89%	0.891	78%	0.782	S	S	*	*			trans	32.2	96.8	163.6	-69	179.8	177.3	180	0	116.9	S30	K28-S30 PolarHBondContact O-N 3.43Å
29	S	39.6	Very low	44.2	Very low	88 Å²	88	139 Å²	139	62%	0.615	78%	0.782	S	S	*	*			trans	-67.7	119.7	166.6	59.1	0	0	0	0	111.3	L31	S29-L31 PolarHBondContact O-N 3.15Å
30	S	55.6	Low	45.5	Very low	120 Å²	120	136.3 Å²	136.3	84%	0.839	78%	0.777	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.9	12.4	177.3	49.5	0	0	0	0	114.8	K28	K28-S30 PolarHBondContact O-N 3.43Å
31	L	50.9	Low	46.6	Very low	165 Å²	165	135.8 Å²	135.8	86%	0.864	78%	0.778	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.1	3.6	-172	-76.4	157.7	0	0	0	114.6	S29	S29-L31 PolarHBondContact O-N 3.15Å
32	I	48.4	Very low	47.6	Very low	131 Å²	131	134.6 Å²	134.6	67%	0.672	76%	0.763	S	S	*	*	S	Bend	trans	-108.3	118.8	173.2	-57.1	173.4	0	0	0	107.7	S34	I32-S34 PolarHBondContact O-N 2.92Å
33	K	44.2	Very low	48.3	Very low	196 Å²	196	137.9 Å²	137.9	85%	0.852	76%	0.762	S	S	*	*			trans	-61.2	98.7	171.2	-74.1	-179	177.7	-179.7	0	109.1	I35	K33-I35 PolarHBondContact O-N 3.32Å
34	S	50.6	Low	49	Very low	95 Å²	95	141.4 Å²	141.4	66%	0.664	77%	0.766	S	S	*	*			trans	-71.3	104.1	163.8	50	0	0	0	0	107.7	I32 D36	I32-S34 PolarHBondContact O-N 2.92Å; S34-D36 PolarHBondContact O-N 3.29Å
35	I	55.9	Low	49.8	Very low	143 Å²	143	141.3 Å²	141.3	73%	0.733	76%	0.761	S	S	*	*			trans	-76.6	100.9	168.7	-67	167	0	0	0	106	K33 V37	K33-I35 PolarHBondContact O-N 3.32Å; I35-V37 HydrophobicContact CG2-CG2 4.12Å; I35-V37 PolarHBondContact O-N 3.37Å
36	D	52.7	Low	50.5	Low	141 Å²	141	138.2 Å²	138.2	75%	0.754	75%	0.746	S	S	*	*			trans	-75.4	116.6	169.9	-74.7	-31.5	0	0	0	109	S34 A38	S34-D36 PolarHBondContact O-N 3.29Å; D36-A38 PolarHBondContact O-N 3.23Å
37	V	55.5	Low	51.3	Low	139 Å²	139	137.8 Å²	137.8	84%	0.842	74%	0.737	S	S	*	*	S	Bend	trans	-86.1	19.9	-171.2	179.9	0	0	0	0	112.2	I35	I35-V37 HydrophobicContact CG2-CG2 4.12Å; I35-V37 PolarHBondContact O-N 3.37Å
38	A	56.2	Low	51.8	Low	72 Å²	72	136.6 Å²	136.6	60%	0.595	73%	0.731	S	S	*	*	S	Bend	trans	-147.7	124	175	0	0	0	0	0	112.1	D36 V40	D36-A38 PolarHBondContact O-N 3.23Å; A38-V40 PolarHBondContact O-N 3.49Å
39	P	60.3	Low	52.3	Low	121 Å²	121	131.2 Å²	131.2	79%	0.786	72%	0.719	S	S	*	*			trans	-69	130.9	173.2	27.9	-31.8	0	0	0	110.3	V41	P39-V41 PolarHBondContact O-N 3.3Å
40	V	56.9	Low	53.3	Low	113 Å²	113	131.6 Å²	131.6	69%	0.685	71%	0.714	S	S	*	*			trans	-68.6	116.4	173.4	-178.7	0	0	0	0	108.4	A38 E42	A38-V40 PolarHBondContact O-N 3.49Å; V40-E42 HydrophobicContact CG1-CB 4.36Å; V40-E42 HydrophobicContact CG1-CG 3.61Å; V40-E42 WeakPolarHBondContact CG1-OE1 3.42Å; V40-E42 PolarHBondContact O-N 3.37Å
41	V	53.8	Low	53.6	Low	133 Å²	133	130.1 Å²	130.1	81%	0.806	70%	0.699	S	S	*	*			trans	-89.4	86.5	168.3	179	0	0	0	0	106.4	P39	P39-V41 PolarHBondContact O-N 3.3Å
42	E	53.1	Low	54.4	Low	124 Å²	124	127.6 Å²	127.6	58%	0.579	69%	0.693	S	S	*	*			trans	-77.2	131.3	173.5	-95.3	157.2	-157.9	0	0	110.3	V40 E46	V40-E42 HydrophobicContact CG1-CB 4.36Å; V40-E42 HydrophobicContact CG1-CG 3.61Å; V40-E42 WeakPolarHBondContact CG1-OE1 3.42Å; V40-E42 PolarHBondContact O-N 3.37Å; E42-E46 VanDerWaalsContact CD-OE2 3.27Å; E42-E46 VanDerWaalsContact CG-OE2 3.3Å; E42-E46 WeakPolarHBondContact CG-OE2 3.3Å
43	H	50.7	Low	55.7	Low	162 Å²	162	122.8 Å²	122.8	75%	0.75	67%	0.669	S	S	*	*			trans	-65.1	147.5	-179.9	-97.1	-92.3	0	0	0	110.8	D45 E46	H43-D45 PolarHBondContact O-N 3.41Å; H43-E46 PolarHBondContact O-N 2.78Å
44	K	54.7	Low	57.4	Low	182 Å²	182	117.8 Å²	117.8	79%	0.791	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-50.4	-9.9	-176.7	-80.2	-179.1	173.8	178.7	0	117
45	D	51.3	Low	58.8	Low	124 Å²	124	118.7 Å²	118.7	66%	0.663	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.1	-26	-174.2	-65.1	-23.5	0	0	0	113.2	H43 L48	H43-D45 PolarHBondContact O-N 3.41Å; D45-L48 PolarHBondContact O-N 2.67Å
46	E	52.1	Low	60	Low	111 Å²	111	119.5 Å²	119.5	52%	0.519	66%	0.656	S	S	.	*	G	3₁₀ helix	trans	-74.5	-28.5	175.4	-77.9	177.5	163.3	0	0	112.7	E42 H43 L48 S49	E42-E46 VanDerWaalsContact CD-OE2 3.27Å; E42-E46 VanDerWaalsContact CG-OE2 3.3Å; E42-E46 WeakPolarHBondContact CG-OE2 3.3Å; H43-E46 PolarHBondContact O-N 2.78Å; E46-L48 PolarHBondContact O-N 3.14Å; E46-S49 WeakPolarHBondContact O-CB 3.46Å; E46-S49 PolarHBondContact O-N 3.26Å; E46-S49 VanDerWaalsContact O-N 3.14Å; E46-S49 PolarHBondContact O-OG 3.4Å
47	F	51.5	Low	61.4	Low	162 Å²	162	115 Å²	115	71%	0.711	64%	0.636	S	S	*	*	G	3₁₀ helix	trans	-69.1	-15.3	173.8	-93.3	-85.2	0	0	0	114	S49	F47-S49 VanDerWaalsContact C-N 3.33Å
48	L	50.8	Low	62.7	Low	142 Å²	142	116.3 Å²	116.3	74%	0.743	63%	0.632	S	S	*	*	G	3₁₀ helix	trans	-84.1	-8.5	174.3	-70.3	167.2	0	0	0	112.8	D45 E46	D45-L48 PolarHBondContact O-N 2.67Å; E46-L48 PolarHBondContact O-N 3.14Å
49	S	53.6	Low	64.1	Low	92 Å²	92	121.3 Å²	121.3	64%	0.643	64%	0.644	S	S	*	*	S	Bend	trans	-84.5	-19.9	179.6	71.3	0	0	0	0	114	E46 F47 V51	E46-S49 WeakPolarHBondContact O-CB 3.46Å; E46-S49 PolarHBondContact O-N 3.26Å; E46-S49 VanDerWaalsContact O-N 3.14Å; E46-S49 PolarHBondContact O-OG 3.4Å; F47-S49 VanDerWaalsContact C-N 3.33Å; S49-V51 PolarHBondContact O-N 3.43Å
50	I	60.3	Low	65.3	Low	96 Å²	96	118.7 Å²	118.7	49%	0.492	62%	0.623	S	S	.	*	S	Bend	trans	-79.6	115	171.6	-57.5	170.2	0	0	0	106.5	P52	I50-P52 WeakPolarHBondContact O-CD 3.39Å
51	V	62.5	Low	66.7	Low	89 Å²	89	121.9 Å²	121.9	54%	0.539	63%	0.634	S	S	.	*			trans	-81.3	102	170.1	-178.9	0	0	0	0	106.5	S49 V53	S49-V51 PolarHBondContact O-N 3.43Å; V51-V53 PolarHBondContact O-N 3.31Å; V51-V53 VanDerWaalsContact O-N 3.17Å
52	P	66.4	Low	68.2	Low	112 Å²	112	119.3 Å²	119.3	73%	0.727	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-63.6	122.3	178.1	26.8	-34	0	0	0	109.2	I50	I50-P52 WeakPolarHBondContact O-CD 3.39Å
53	V	77	Confident	69.9	Low	29 Å²	29	121.3 Å²	121.3	18%	0.176	63%	0.627	C	S	.	*	P	Polyproline II helix	trans	-70.3	130	167.8	176.2	0	0	0	0	108.1	V51 P55 L60 P64	V51-V53 PolarHBondContact O-N 3.31Å; V51-V53 VanDerWaalsContact O-N 3.17Å; V53-P55 WeakPolarHBondContact O-CD 3.23Å; V53-L60 HydrophobicContact CG1-CD1 4.09Å; V53-L60 HydrophobicContact CG1-CD2 3.5Å; V53-L60 VanDerWaalsContact CG1-CD2 3.5Å; V53-L60 HydrophobicContact CG1-CG 4.45Å; V53-P64 HydrophobicContact CG2-CB 4.03Å
54	D	79.4	Confident	71.5	Confident	91 Å²	91	115.1 Å²	115.1	49%	0.487	60%	0.602	S	S	.	*	P	Polyproline II helix	trans	-70.6	121.9	176.8	-177.8	-0.8	0	0	0	109.9	Q56 S57	D54-Q56 PolarHBondContact O-N 3.41Å; D54-Q56 PolarHBondContact OD1-N 3.05Å; D54-S57 PolarHBondContact O-N 2.68Å; D54-S57 PolarHBondContact O-OG 3.26Å
55	P	80.3	Confident	73	Confident	115 Å²	115	109.9 Å²	109.9	75%	0.747	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.9	-17.4	178	-23.5	33.5	0	0	0	114.6	V53	V53-P55 WeakPolarHBondContact O-CD 3.23Å
56	Q	80.3	Confident	74.7	Confident	159 Å²	159	112.4 Å²	112.4	74%	0.743	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.6	-11.6	176.4	-61	-172	-0.2	0	0	113.2	D54 H58	D54-Q56 PolarHBondContact O-N 3.41Å; D54-Q56 PolarHBondContact OD1-N 3.05Å; Q56-H58 PolarHBondContact O-N 3.46Å
57	S	82.2	Confident	76.2	Confident	47 Å²	47	114.8 Å²	114.8	33%	0.329	60%	0.598	S	S	.	*			trans	-79.8	120.3	178.1	67.6	0	0	0	0	110.7	D54	D54-S57 PolarHBondContact O-N 2.68Å; D54-S57 PolarHBondContact O-OG 3.26Å
58	H	82.4	Confident	77.7	Confident	166 Å²	166	110.1 Å²	110.1	77%	0.769	58%	0.578	S	S	*	*	S	Bend	trans	-92.6	-11.8	179.4	-67.2	-71.2	0	0	0	113.2	Q56	Q56-H58 PolarHBondContact O-N 3.46Å
59	E	87.1	Confident	79.3	Confident	178 Å²	178	107.2 Å²	107.2	83%	0.832	56%	0.563	S	S	*	*			trans	-127.7	121.6	179.7	-66.1	-179	179.6	0	0	109.4
60	L	84.9	Confident	80.8	Confident	66 Å²	66	109.3 Å²	109.3	35%	0.346	56%	0.561	S	S	.	*			trans	-106.1	136.9	-180	-58.7	177	0	0	0	110.7	V53 P64 L69	V53-L60 HydrophobicContact CG1-CD1 4.09Å; V53-L60 HydrophobicContact CG1-CD2 3.5Å; V53-L60 VanDerWaalsContact CG1-CD2 3.5Å; V53-L60 HydrophobicContact CG1-CG 4.45Å; L60-P64 HydrophobicContact CD1-CG 3.76Å; L60-L69 HydrophobicContact CD1-CD1 3.74Å
61	I	85.4	Confident	81.9	Confident	179 Å²	179	107.5 Å²	107.5	92%	0.918	56%	0.56	S	S	*	*	S	Bend	trans	-89	-19.6	-177.4	-55.4	170.2	0	0	0	111.6
62	H	86	Confident	83	Confident	80 Å²	80	107.8 Å²	107.8	37%	0.37	56%	0.564	S	S	.	*	S	Bend	trans	-121.3	164.8	176.7	69.2	-79.7	0	0	0	109.7	P64	H62-P64 WeakPolarHBondContact O-CD 3.2Å
63	N	88	Confident	83.8	Confident	165 Å²	165	107.8 Å²	107.8	88%	0.882	57%	0.566	S	S	*	*			trans	-90	103.6	174.7	-64.2	-22.9	0	0	0	108.5
64	P	85.4	Confident	84.1	Confident	33 Å²	33	115.8 Å²	115.8	21%	0.214	60%	0.599	C	S	.	*			trans	-71	158.2	178.4	33	-39.3	0	0	0	111.1	V53 L60 H62 E68 L69	V53-P64 HydrophobicContact CG2-CB 4.03Å; L60-P64 HydrophobicContact CD1-CG 3.76Å; H62-P64 WeakPolarHBondContact O-CD 3.2Å; P64-E68 VanDerWaalsContact CA-OE2 3.31Å; P64-E68 WeakPolarHBondContact CA-OE2 3.23Å; P64-E68 HydrophobicContact CB-CB 4.02Å; P64-L69 HydrophobicContact CB-CB 4.24Å; P64-L69 HydrophobicContact CG-CB 3.91Å; P64-L69 HydrophobicContact CG-CD1 4.1Å; P64-L69 HydrophobicContact CG-CD2 4.24Å; P64-L69 HydrophobicContact CG-CG 4.31Å
65	T	86.8	Confident	84.5	Confident	71 Å²	71	114.5 Å²	114.5	44%	0.436	61%	0.607	S	S	.	*			trans	-72.7	161.1	167.2	66	0	0	0	0	111.1	E67 E68 L69	T65-E67 PolarHBondContact O-N 2.98Å; T65-E68 PolarHBondContact N-OE2 2.9Å; T65-E68 PolarHBondContact O-N 3.13Å; T65-E68 VanDerWaalsContact O-N 3.13Å; T65-E68 WeakPolarHBondContact OG1-CG 3.02Å; T65-E68 PolarHBondContact OG1-N 3.17Å; T65-E68 PolarHBondContact OG1-OE1 3.49Å; T65-E68 PolarHBondContact OG1-OE2 2.99Å; T65-L69 PolarHBondContact O-N 2.99Å
66	Y	85.6	Confident	84.9	Confident	178 Å²	178	115.3 Å²	115.3	70%	0.698	61%	0.613	S	S	*	*	H	α-helix	trans	-56.8	-40.3	176.8	174.3	-95.4	0	0	0	111.7	E68 L69 F70	Y66-E68 VanDerWaalsContact C-N 3.34Å; Y66-L69 PolarHBondContact O-N 3.44Å; Y66-F70 AromaticContact CD2-CD2 3.38Å; Y66-F70 HydrophobicContact CD2-CD2 3.38Å; Y66-F70 AromaticContact CD2-CE2 3.86Å; Y66-F70 HydrophobicContact CD2-CE2 3.86Å; Y66-F70 HydrophobicContact CD2-CG 4.32Å; Y66-F70 HydrophobicContact CE2-CB 4.23Å; Y66-F70 AromaticContact CE2-CD2 3.42Å; Y66-F70 HydrophobicContact CE2-CD2 3.42Å; Y66-F70 VanDerWaalsContact CE2-CD2 3.42Å; Y66-F70 AromaticContact CE2-CE2 3.98Å; Y66-F70 HydrophobicContact CE2-CE2 3.98Å; Y66-F70 HydrophobicContact CE2-CG 4Å; Y66-F70 HydrophobicContact CG-CD2 4.21Å; Y66-F70 PolarHBondContact O-N 2.96Å
67	E	85.1	Confident	85.2	Confident	161 Å²	161	113.2 Å²	113.2	75%	0.752	61%	0.61	S	S	*	*	H	α-helix	trans	-66.2	-35.7	178.6	-63.9	-176.1	177.2	0	0	111.9	T65 A71	T65-E67 PolarHBondContact O-N 2.98Å; E67-A71 WeakPolarHBondContact O-CB 3.31Å; E67-A71 PolarHBondContact O-N 3.34Å
68	E	82.2	Confident	85.5	Confident	64 Å²	64	114.3 Å²	114.3	30%	0.299	61%	0.612	S	S	.	*	H	α-helix	trans	-71.4	-42.4	175.5	-74.4	156.3	-151.3	0	0	112.9	P64 T65 Y66	P64-E68 VanDerWaalsContact CA-OE2 3.31Å; P64-E68 WeakPolarHBondContact CA-OE2 3.23Å; P64-E68 HydrophobicContact CB-CB 4.02Å; T65-E68 PolarHBondContact N-OE2 2.9Å; T65-E68 PolarHBondContact O-N 3.13Å; T65-E68 VanDerWaalsContact O-N 3.13Å; T65-E68 WeakPolarHBondContact OG1-CG 3.02Å; T65-E68 PolarHBondContact OG1-N 3.17Å; T65-E68 PolarHBondContact OG1-OE1 3.49Å; T65-E68 PolarHBondContact OG1-OE2 2.99Å; Y66-E68 VanDerWaalsContact C-N 3.34Å
69	L	84.5	Confident	85.8	Confident	80 Å²	80	111.7 Å²	111.7	42%	0.419	61%	0.61	S	S	.	*	H	α-helix	trans	-79	-39.6	-172.8	-176.1	62.1	0	0	0	113.4	L60 P64 T65 Y66	L60-L69 HydrophobicContact CD1-CD1 3.74Å; P64-L69 HydrophobicContact CB-CB 4.24Å; P64-L69 HydrophobicContact CG-CB 3.91Å; P64-L69 HydrophobicContact CG-CD1 4.1Å; P64-L69 HydrophobicContact CG-CD2 4.24Å; P64-L69 HydrophobicContact CG-CG 4.31Å; T65-L69 PolarHBondContact O-N 2.99Å; Y66-L69 PolarHBondContact O-N 3.44Å
70	F	85.5	Confident	86	Confident	136 Å²	136	112 Å²	112	60%	0.596	61%	0.609	S	S	*	*	S	Bend	trans	-105.5	17.2	-175.1	-64.2	-76.5	0	0	0	113.1	Y66	Y66-F70 AromaticContact CD2-CD2 3.38Å; Y66-F70 HydrophobicContact CD2-CD2 3.38Å; Y66-F70 AromaticContact CD2-CE2 3.86Å; Y66-F70 HydrophobicContact CD2-CE2 3.86Å; Y66-F70 HydrophobicContact CD2-CG 4.32Å; Y66-F70 HydrophobicContact CE2-CB 4.23Å; Y66-F70 AromaticContact CE2-CD2 3.42Å; Y66-F70 HydrophobicContact CE2-CD2 3.42Å; Y66-F70 VanDerWaalsContact CE2-CD2 3.42Å; Y66-F70 AromaticContact CE2-CE2 3.98Å; Y66-F70 HydrophobicContact CE2-CE2 3.98Å; Y66-F70 HydrophobicContact CE2-CG 4Å; Y66-F70 HydrophobicContact CG-CD2 4.21Å; Y66-F70 PolarHBondContact O-N 2.96Å
71	A	83.3	Confident	86.2	Confident	58 Å²	58	113.7 Å²	113.7	48%	0.479	61%	0.614	S	S	.	*	P	Polyproline II helix	trans	-55.2	133.3	171.6	0	0	0	0	0	110.5	E67	E67-A71 WeakPolarHBondContact O-CB 3.31Å; E67-A71 PolarHBondContact O-N 3.34Å
72	P	84.7	Confident	86.3	Confident	96 Å²	96	108.1 Å²	108.1	62%	0.623	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-66	140.5	178.4	27.6	-34	0	0	0	110.6	F74	P72-F74 PolarHBondContact O-N 3.26Å
73	S	83.6	Confident	86.3	Confident	111 Å²	111	112.5 Å²	112.5	78%	0.776	61%	0.611	S	S	*	*	P	Polyproline II helix	trans	-66.3	120.6	170.7	58	0	0	0	0	110.4
74	F	84.1	Confident	86.3	Confident	198 Å²	198	112.9 Å²	112.9	87%	0.868	61%	0.605	S	S	*	*	P	Polyproline II helix	trans	-79.5	138.2	178.7	-69.2	-81.4	0	0	0	111.5	P72	P72-F74 PolarHBondContact O-N 3.26Å
75	G	87.2	Confident	86.3	Confident	64 Å²	64	116.1 Å²	116.1	66%	0.66	62%	0.617	S	S	*	*	S	Bend	trans	120.2	169.8	177.1	0	0	0	0	0	113.6
76	P	89.7	Confident	86.3	Confident	132 Å²	132	117 Å²	117	86%	0.857	62%	0.619	S	S	*	*			trans	-71.7	144.2	176.8	29.7	-33.6	0	0	0	111.3	N78	P76-N78 PolarHBondContact O-N 3.43Å
77	V	86.7	Confident	86.4	Confident	114 Å²	114	110.7 Å²	110.7	69%	0.691	60%	0.604	S	S	*	*			trans	-61.8	133.5	170.5	-179.2	0	0	0	0	109	P79 L86	V77-P79 VanDerWaalsContact O-CD 3.23Å; V77-P79 WeakPolarHBondContact O-CD 3.37Å; V77-P79 VanDerWaalsContact O-N 3.17Å; V77-L86 HydrophobicContact CG1-CD2 3.66Å
78	N	86.8	Confident	86.4	Confident	70 Å²	70	108 Å²	108	37%	0.374	60%	0.601	S	S	.	*			trans	-65	113	-177.8	-176.8	-15.1	0	0	0	111.1	P76 F80 K81	P76-N78 PolarHBondContact O-N 3.43Å; N78-F80 PolarHBondContact O-N 2.96Å; N78-F80 WeakPolarHBondContact OD1-CB 3.36Å; N78-F80 VanDerWaalsContact OD1-CD2 3.23Å; N78-F80 WeakPolarHBondContact OD1-CD2 3.14Å; N78-F80 PolarHBondContact OD1-N 3.06Å; N78-K81 HydrophobicContact CB-CD 4.35Å; N78-K81 HydrophobicContact CB-CG 4.38Å; N78-K81 PolarHBondContact O-N 3.44Å
79	P	90.3	Very high	86.7	Confident	111 Å²	111	109.3 Å²	109.3	72%	0.721	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.6	-10.2	-175.9	32.3	-36.4	0	0	0	113.5	V77 K81	V77-P79 VanDerWaalsContact O-CD 3.23Å; V77-P79 WeakPolarHBondContact O-CD 3.37Å; V77-P79 VanDerWaalsContact O-N 3.17Å; P79-K81 VanDerWaalsContact C-N 3.32Å
80	F	90.8	Very high	86.9	Confident	184 Å²	184	111.1 Å²	111.1	81%	0.807	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.9	-6.5	179.7	-55.9	-66.1	0	0	0	113.3	N78	N78-F80 PolarHBondContact O-N 2.96Å; N78-F80 WeakPolarHBondContact OD1-CB 3.36Å; N78-F80 VanDerWaalsContact OD1-CD2 3.23Å; N78-F80 WeakPolarHBondContact OD1-CD2 3.14Å; N78-F80 PolarHBondContact OD1-N 3.06Å
81	K	88	Confident	87	Confident	103 Å²	103	107.2 Å²	107.2	45%	0.448	60%	0.602	S	S	.	*	S	Bend	trans	-92.8	126.6	177.6	-68.9	-175.7	178.3	-176.6	0	109.9	N78 P79 Q85 L86	N78-K81 HydrophobicContact CB-CD 4.35Å; N78-K81 HydrophobicContact CB-CG 4.38Å; N78-K81 PolarHBondContact O-N 3.44Å; P79-K81 VanDerWaalsContact C-N 3.32Å; K81-Q85 HydrophobicContact CB-CB 3.85Å; K81-Q85 HydrophobicContact CG-CB 4.23Å; K81-L86 HydrophobicContact CB-CD2 3.77Å; K81-L86 HydrophobicContact CB-CG 3.76Å; K81-L86 HydrophobicContact CD-CD2 4.15Å
82	S	87.6	Confident	87.2	Confident	62 Å²	62	112.3 Å²	112.3	43%	0.434	62%	0.621	S	S	.	*			trans	-61.5	161.8	167.5	60	0	0	0	0	111.5	K84 Q85 L86	S82-K84 PolarHBondContact O-N 3.05Å; S82-Q85 CarbonylContact O-C 3.53Å; S82-Q85 WeakPolarHBondContact O-CA 3.45Å; S82-Q85 WeakPolarHBondContact O-CB 3.36Å; S82-Q85 PolarHBondContact O-N 3.36Å; S82-Q85 WeakPolarHBondContact OG-CG 3.36Å; S82-Q85 PolarHBondContact OG-N 3.19Å; S82-Q85 PolarHBondContact OG-OE1 3.19Å; S82-L86 PolarHBondContact O-N 2.78Å
83	E	87.1	Confident	87.3	Confident	172 Å²	172	114.2 Å²	114.2	80%	0.804	63%	0.631	S	S	*	*	H	α-helix	trans	-49.8	-44.1	174.8	-172.4	-179.3	-179.2	0	0	112.1	Q85 L86 A87	E83-Q85 PolarHBondContact O-N 3.37Å; E83-L86 PolarHBondContact O-N 3.49Å; E83-A87 PolarHBondContact O-N 3.24Å
84	K	87	Confident	87.5	Confident	173 Å²	173	110 Å²	110	75%	0.752	61%	0.605	S	S	*	*	H	α-helix	trans	-64.1	-23.6	174.6	-67.1	-172.9	178.6	-176.2	0	114.3	S82 K89	S82-K84 PolarHBondContact O-N 3.05Å; K84-K89 WeakPolarHBondContact O-CD 3.48Å; K84-K89 WeakPolarHBondContact O-CE 3.37Å; K84-K89 PolarHBondContact O-NZ 3.07Å
85	Q	86.4	Confident	87.8	Confident	100 Å²	100	106.6 Å²	106.6	47%	0.467	59%	0.587	S	S	.	*	H	α-helix	trans	-91.6	-23.1	176.7	-74.1	170.2	-37.4	0	0	112.9	K81 S82 E83	K81-Q85 HydrophobicContact CB-CB 3.85Å; K81-Q85 HydrophobicContact CG-CB 4.23Å; S82-Q85 CarbonylContact O-C 3.53Å; S82-Q85 WeakPolarHBondContact O-CA 3.45Å; S82-Q85 WeakPolarHBondContact O-CB 3.36Å; S82-Q85 PolarHBondContact O-N 3.36Å; S82-Q85 WeakPolarHBondContact OG-CG 3.36Å; S82-Q85 PolarHBondContact OG-N 3.19Å; S82-Q85 PolarHBondContact OG-OE1 3.19Å; E83-Q85 PolarHBondContact O-N 3.37Å
86	L	86.9	Confident	88	Confident	89 Å²	89	107.8 Å²	107.8	47%	0.466	58%	0.581	S	S	.	*	H	α-helix	trans	-78	-34.3	173	-71.1	167.3	0	0	0	111.3	V77 K81 S82 E83	V77-L86 HydrophobicContact CG1-CD2 3.66Å; K81-L86 HydrophobicContact CB-CD2 3.77Å; K81-L86 HydrophobicContact CB-CG 3.76Å; K81-L86 HydrophobicContact CD-CD2 4.15Å; S82-L86 PolarHBondContact O-N 2.78Å; E83-L86 PolarHBondContact O-N 3.49Å
87	A	87.1	Confident	88	Confident	47 Å²	47	107.2 Å²	107.2	39%	0.388	57%	0.567	S	S	.	*	S	Bend	trans	-62.7	136.4	176.9	0	0	0	0	0	112.1	E83 K89	E83-A87 PolarHBondContact O-N 3.24Å; A87-K89 PolarHBondContact O-N 3.49Å
88	P	86.1	Confident	88.2	Confident	105 Å²	105	110.4 Å²	110.4	68%	0.682	58%	0.575	S	S	*	*			trans	-62.9	133.6	173.3	27.8	-33.8	0	0	0	109.5
89	K	87.6	Confident	88.3	Confident	91 Å²	91	110.7 Å²	110.7	40%	0.396	59%	0.587	S	S	.	*			trans	-151.9	130.2	-172.9	52.6	-176.1	174.2	176.7	0	112.1	K84 A87 T91	K84-K89 WeakPolarHBondContact O-CD 3.48Å; K84-K89 WeakPolarHBondContact O-CE 3.37Å; K84-K89 PolarHBondContact O-NZ 3.07Å; A87-K89 PolarHBondContact O-N 3.49Å; K89-T91 WeakPolarHBondContact CB-O 3.32Å
90	N	88	Confident	88.3	Confident	117 Å²	117	114 Å²	114	63%	0.626	59%	0.592	S	S	*	*	S	Bend	trans	-97.2	-26.4	172.9	-171.6	10.6	0	0	0	110.7	G94 Y95 V96	N90-G94 PolarHBondContact N-O 3.37Å; N90-Y95 HydrophobicContact CB-CD2 3.93Å; N90-Y95 HydrophobicContact CB-CE2 4.11Å; N90-V96 PolarHBondContact ND2-O 2.83Å
91	T	88.3	Confident	88.2	Confident	54 Å²	54	109.7 Å²	109.7	33%	0.331	58%	0.581	S	S	.	*	B	Isolated β-bridge	trans	-119.2	166.7	174.2	68.3	0	0	0	0	110.3	K89 T93 G94 V96	K89-T91 WeakPolarHBondContact CB-O 3.32Å; T91-T93 PolarHBondContact O-N 3.2Å; T91-T93 VanDerWaalsContact O-N 3.12Å; T91-G94 PolarHBondContact N-O 3.34Å; T91-G94 PolarHBondContact O-N 3.09Å; T91-G94 PolarHBondContact OG1-N 2.64Å; T91-G94 PolarHBondContact OG1-O 2.76Å; T91-V96 HydrophobicContact CG2-CB 4.18Å; T91-V96 HydrophobicContact CG2-CG2 3.91Å
92	L	86.4	Confident	88.4	Confident	166 Å²	166	110 Å²	110	87%	0.869	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.4	-31.8	-178.3	-176.1	64.2	0	0	0	113.3
93	T	87.1	Confident	88.7	Confident	136 Å²	136	115.5 Å²	115.5	83%	0.834	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.8	-15.4	-174.7	47.5	0	0	0	0	114.3	T91	T91-T93 PolarHBondContact O-N 3.2Å; T91-T93 VanDerWaalsContact O-N 3.12Å
94	G	89.3	Confident	89	Confident	22 Å²	22	113.5 Å²	113.5	23%	0.227	59%	0.592	C	S	.	*	B	Isolated β-bridge	trans	163	-169.7	-177.9	0	0	0	0	0	114	N90 T91	N90-G94 PolarHBondContact N-O 3.37Å; T91-G94 PolarHBondContact N-O 3.34Å; T91-G94 PolarHBondContact O-N 3.09Å; T91-G94 PolarHBondContact OG1-N 2.64Å; T91-G94 PolarHBondContact OG1-O 2.76Å
95	Y	90.3	Very high	89.2	Confident	126 Å²	126	107.2 Å²	107.2	49%	0.494	57%	0.573	S	S	.	*			trans	-87.8	123.6	174	-160.8	-102.1	0	0	0	109.8	N90 E97	N90-Y95 HydrophobicContact CB-CD2 3.93Å; N90-Y95 HydrophobicContact CB-CE2 4.11Å; Y95-E97 HydrophobicContact CD1-CB 4.37Å; Y95-E97 HydrophobicContact CD1-CG 4.44Å; Y95-E97 HydrophobicContact CE1-CB 3.96Å; Y95-E97 HydrophobicContact CE1-CG 4.3Å; Y95-E97 WeakPolarHBondContact CE1-OE2 3.47Å
96	V	90.7	Very high	89.4	Confident	89 Å²	89	108.6 Å²	108.6	54%	0.539	58%	0.578	S	S	.	*			trans	-121.7	119.5	178.4	-179	0	0	0	0	106.7	N90 T91	N90-V96 PolarHBondContact ND2-O 2.83Å; T91-V96 HydrophobicContact CG2-CB 4.18Å; T91-V96 HydrophobicContact CG2-CG2 3.91Å
97	E	90.2	Very high	89.7	Confident	120 Å²	120	107.4 Å²	107.4	56%	0.561	57%	0.569	S	S	*	*			trans	-128	153.8	178.2	62.6	-178.9	-177.2	0	0	110.2	Y95 A99	Y95-E97 HydrophobicContact CD1-CB 4.37Å; Y95-E97 HydrophobicContact CD1-CG 4.44Å; Y95-E97 HydrophobicContact CE1-CB 3.96Å; Y95-E97 HydrophobicContact CE1-CG 4.3Å; Y95-E97 WeakPolarHBondContact CE1-OE2 3.47Å; E97-A99 PolarHBondContact O-N 3.16Å
98	E	90.6	Very high	90	Very high	181 Å²	181	106 Å²	106	85%	0.846	56%	0.555	S	S	*	*			trans	-76.8	111.2	176.8	-66.2	-172.1	168.1	0	0	109.7
99	A	89.3	Confident	90.3	Very high	76 Å²	76	102.5 Å²	102.5	63%	0.628	53%	0.53	S	S	*	.			trans	-97.9	136.7	178.1	0	0	0	0	0	111.8	E97 V101	E97-A99 PolarHBondContact O-N 3.16Å; A99-V101 HydrophobicContact CB-CG2 4.33Å
100	H	90.3	Very high	90.5	Very high	182 Å²	182	102.4 Å²	102.4	84%	0.843	53%	0.531	S	S	*	.			trans	-103.9	74.9	177.7	-66.3	-72.2	0	0	0	111.6
101	V	88.5	Confident	90.8	Very high	93 Å²	93	102.9 Å²	102.9	56%	0.564	52%	0.524	S	S	*	.			trans	-93.5	144.1	178.7	-174.3	0	0	0	0	111	A99 K103 F106	A99-V101 HydrophobicContact CB-CG2 4.33Å; V101-K103 PolarHBondContact O-N 3.35Å; V101-F106 HydrophobicContact CG1-CB 4.15Å
102	N	92.3	Very high	90.9	Very high	108 Å²	108	100.3 Å²	100.3	58%	0.578	51%	0.508	S	S	*	.			trans	-60.6	123.1	171.9	179.7	-4.4	0	0	0	110.4	F104 A105 F106	N102-F104 PolarHBondContact O-N 3.02Å; N102-F104 VanDerWaalsContact O-N 3.17Å; N102-F104 PolarHBondContact OD1-N 2.84Å; N102-F104 VanDerWaalsContact OD1-N 3.08Å; N102-A105 HydrophobicContact CB-CB 4.1Å; N102-A105 PolarHBondContact O-N 2.79Å; N102-F106 PolarHBondContact O-N 3.48Å
103	K	92.7	Very high	91.2	Very high	178 Å²	178	97.2 Å²	97.2	77%	0.774	49%	0.488	S	S	*	.	H	α-helix	trans	-52.7	-39.5	-179.2	-174	176.3	-179.4	177	0	113.1	V101 E107	V101-K103 PolarHBondContact O-N 3.35Å; K103-E107 VanDerWaalsContact O-CB 3.27Å; K103-E107 WeakPolarHBondContact O-CB 3.36Å; K103-E107 PolarHBondContact O-N 3.21Å
104	F	93.5	Very high	91.4	Very high	130 Å²	130	97.5 Å²	97.5	57%	0.57	48%	0.481	S	S	*	.	H	α-helix	trans	-67.4	-43.7	178	175.7	-98.2	0	0	0	111.8	N102 E107 N108 C148	N102-F104 PolarHBondContact O-N 3.02Å; N102-F104 VanDerWaalsContact O-N 3.17Å; N102-F104 PolarHBondContact OD1-N 2.84Å; N102-F104 VanDerWaalsContact OD1-N 3.08Å; F104-E107 PolarHBondContact O-N 3.26Å; F104-N108 HydrophobicContact CE1-CB 4.5Å; F104-N108 WeakPolarHBondContact O-CB 3.19Å; F104-N108 PolarHBondContact O-N 3Å; F104-C148 HydrophobicContact CZ-CB 4.45Å
105	A	91.1	Very high	91.4	Very high	42 Å²	42	100.8 Å²	100.8	35%	0.347	50%	0.497	S	S	.	.	H	α-helix	trans	-63.9	-45.5	179.9	0	0	0	0	0	111.1	N102 N108 Q109	N102-A105 HydrophobicContact CB-CB 4.1Å; N102-A105 PolarHBondContact O-N 2.79Å; A105-N108 PolarHBondContact O-N 2.9Å; A105-Q109 WeakPolarHBondContact O-CG 3.34Å; A105-Q109 PolarHBondContact O-N 3.04Å
106	F	92	Very high	91.3	Very high	129 Å²	129	96.6 Å²	96.6	57%	0.566	48%	0.481	S	S	*	.	H	α-helix	trans	-59.2	-51.9	175.4	178.1	-94.4	0	0	0	111.9	V101 N102 N108 Q109 H110	V101-F106 HydrophobicContact CG1-CB 4.15Å; N102-F106 PolarHBondContact O-N 3.48Å; F106-N108 VanDerWaalsContact C-N 3.32Å; F106-N108 PolarHBondContact O-N 3.2Å; F106-Q109 PolarHBondContact O-N 3.05Å; F106-H110 VanDerWaalsContact O-CB 3.26Å; F106-H110 WeakPolarHBondContact O-CB 3.41Å; F106-H110 PolarHBondContact O-N 2.82Å
107	E	92.8	Very high	91.2	Very high	63 Å²	63	93.4 Å²	93.4	29%	0.294	47%	0.466	S	S	.	.	H	α-helix	trans	-65.8	-35.9	-178	-173.8	65.9	-166.3	0	0	111.9	K103 F104 R111	K103-E107 VanDerWaalsContact O-CB 3.27Å; K103-E107 WeakPolarHBondContact O-CB 3.36Å; K103-E107 PolarHBondContact O-N 3.21Å; F104-E107 PolarHBondContact O-N 3.26Å; E107-R111 WeakPolarHBondContact O-CB 3.26Å; E107-R111 VanDerWaalsContact O-CG 3.24Å; E107-R111 WeakPolarHBondContact O-CG 3.48Å; E107-R111 PolarHBondContact O-N 3.25Å; E107-R111 IonicContact OE1-CZ 3.65Å; E107-R111 VanDerWaalsContact OE1-CZ 3.26Å; E107-R111 IonicContact OE1-NE 2.64Å; E107-R111 PolarHBondContact OE1-NE 3.21Å; E107-R111 IonicContact OE1-NH2 3.28Å; E107-R111 PolarHBondContact OE1-NH2 2.95Å
108	N	93.5	Very high	91.2	Very high	17 Å²	17	87.9 Å²	87.9	9%	0.091	44%	0.44	C	S	.	.	H	α-helix	trans	-64.2	-48.9	176.4	-172.7	29.4	0	0	0	110.8	F104 A105 F106 R111 T112 T146 C148	F104-N108 HydrophobicContact CE1-CB 4.5Å; F104-N108 WeakPolarHBondContact O-CB 3.19Å; F104-N108 PolarHBondContact O-N 3Å; A105-N108 PolarHBondContact O-N 2.9Å; F106-N108 VanDerWaalsContact C-N 3.32Å; F106-N108 PolarHBondContact O-N 3.2Å; N108-R111 PolarHBondContact O-N 3.47Å; N108-T112 WeakPolarHBondContact O-CB 3.31Å; N108-T112 PolarHBondContact O-N 2.84Å; N108-T112 PolarHBondContact O-OG1 3.11Å; N108-T146 VanDerWaalsContact CG-OG1 3.26Å; N108-T146 WeakPolarHBondContact ND2-CB 3.34Å; N108-T146 PolarHBondContact ND2-OG1 2.83Å; N108-T146 WeakPolarHBondContact OD1-CB 3.27Å; N108-T146 PolarHBondContact OD1-OG1 2.94Å; N108-C148 PolarHBondContact OD1-N 3.31Å; N108-C148 PolarHBondContact OD1-SG 3.46Å
109	Q	91.6	Very high	91.3	Very high	33 Å²	33	79.8 Å²	79.8	15%	0.154	41%	0.405	C	S	.	.	H	α-helix	trans	-65.9	-42.2	177.4	-68.2	-59.3	-14.8	0	0	111.8	A105 F106 R111 T112 F113 A119 E120	A105-Q109 WeakPolarHBondContact O-CG 3.34Å; A105-Q109 PolarHBondContact O-N 3.04Å; F106-Q109 PolarHBondContact O-N 3.05Å; Q109-R111 PolarHBondContact O-N 2.72Å; Q109-T112 WeakPolarHBondContact O-CB 3.4Å; Q109-T112 PolarHBondContact O-N 3.08Å; Q109-T112 VanDerWaalsContact O-N 3.16Å; Q109-F113 PolarHBondContact O-N 2.86Å; Q109-A119 HydrophobicContact CB-CB 4.27Å; Q109-E120 HydrophobicContact CG-CB 4.49Å; Q109-E120 VanDerWaalsContact NE2-CD 3.27Å; Q109-E120 PolarHBondContact NE2-OE2 2.83Å; Q109-E120 VanDerWaalsContact OE1-N 3.11Å
110	H	92.6	Very high	91.2	Very high	89 Å²	89	80.1 Å²	80.1	41%	0.412	39%	0.393	S	S	.	.	H	α-helix	trans	-59.1	-45.4	175.5	176.4	-104	0	0	0	112.4	F106 T112 F113 M114	F106-H110 VanDerWaalsContact O-CB 3.26Å; F106-H110 WeakPolarHBondContact O-CB 3.41Å; F106-H110 PolarHBondContact O-N 2.82Å; H110-T112 VanDerWaalsContact C-N 3.34Å; H110-F113 PolarHBondContact O-N 2.77Å; H110-M114 WeakPolarHBondContact O-CG 3.26Å; H110-M114 PolarHBondContact O-N 3.24Å
111	R	92.6	Very high	91	Very high	126 Å²	126	74.3 Å²	74.3	48%	0.475	37%	0.368	S	S	.	.	H	α-helix	trans	-67.2	-35.2	175.2	-73.2	177.5	-173.9	-178.2	4	112.7	E107 N108 Q109 F113 M114 T115 A147	E107-R111 WeakPolarHBondContact O-CB 3.26Å; E107-R111 VanDerWaalsContact O-CG 3.24Å; E107-R111 WeakPolarHBondContact O-CG 3.48Å; E107-R111 PolarHBondContact O-N 3.25Å; E107-R111 IonicContact OE1-CZ 3.65Å; E107-R111 VanDerWaalsContact OE1-CZ 3.26Å; E107-R111 IonicContact OE1-NE 2.64Å; E107-R111 PolarHBondContact OE1-NE 3.21Å; E107-R111 IonicContact OE1-NH2 3.28Å; E107-R111 PolarHBondContact OE1-NH2 2.95Å; N108-R111 PolarHBondContact O-N 3.47Å; Q109-R111 PolarHBondContact O-N 2.72Å; R111-F113 VanDerWaalsContact C-N 3.33Å; R111-M114 PolarHBondContact O-N 3.16Å; R111-T115 VanDerWaalsContact O-CB 3.25Å; R111-T115 WeakPolarHBondContact O-CB 3.49Å; R111-T115 PolarHBondContact O-N 3.29Å; R111-T115 PolarHBondContact O-OG1 2.85Å; R111-A147 HydrophobicContact CB-CB 3.67Å
112	T	91.5	Very high	90.9	Very high	0 Å²	0	75.7 Å²	75.7	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-62	-45.2	175.8	-55.4	0	0	0	0	109.8	N108 Q109 H110 M114 T115 Y116 Y118 T146 A147	N108-T112 WeakPolarHBondContact O-CB 3.31Å; N108-T112 PolarHBondContact O-N 2.84Å; N108-T112 PolarHBondContact O-OG1 3.11Å; Q109-T112 WeakPolarHBondContact O-CB 3.4Å; Q109-T112 PolarHBondContact O-N 3.08Å; Q109-T112 VanDerWaalsContact O-N 3.16Å; H110-T112 VanDerWaalsContact C-N 3.34Å; T112-M114 PolarHBondContact O-N 3.23Å; T112-T115 PolarHBondContact O-N 2.92Å; T112-Y116 HydrophobicContact CG2-CD2 3.91Å; T112-Y116 PolarHBondContact O-N 2.91Å; T112-Y118 CarbonylContact C-O 3.59Å; T112-Y118 VanDerWaalsContact C-O 3.26Å; T112-Y118 HydrophobicContact CG2-CD2 4.14Å; T112-Y118 HydrophobicContact CG2-CE2 3.78Å; T112-Y118 WeakPolarHBondContact CG2-O 3.35Å; T112-T146 VanDerWaalsContact OG1-CA 3.3Å; T112-T146 WeakPolarHBondContact OG1-CA 3.24Å; T112-T146 WeakPolarHBondContact OG1-CB 3.26Å; T112-A147 PolarHBondContact OG1-N 3.42Å
113	F	92.9	Very high	90.5	Very high	101 Å²	101	73.3 Å²	73.3	44%	0.443	37%	0.371	S	S	.	.	H	α-helix	trans	-62.1	-46	175.2	-166.6	-96.8	0	0	0	112.4	Q109 H110 R111 T115 G117 Y118 A119	Q109-F113 PolarHBondContact O-N 2.86Å; H110-F113 PolarHBondContact O-N 2.77Å; R111-F113 VanDerWaalsContact C-N 3.33Å; F113-T115 VanDerWaalsContact C-N 3.3Å; F113-T115 PolarHBondContact O-N 3.15Å; F113-G117 WeakPolarHBondContact O-CA 3.28Å; F113-G117 PolarHBondContact O-N 3.35Å; F113-Y118 VanDerWaalsContact CA-O 3.26Å; F113-Y118 WeakPolarHBondContact CA-O 3.42Å; F113-Y118 PolarHBondContact N-O 2.91Å; F113-Y118 VanDerWaalsContact N-O 3.11Å; F113-A119 HydrophobicContact CB-CB 4.01Å; F113-A119 HydrophobicContact CD2-CB 4.17Å
114	M	91.6	Very high	89.4	Confident	143 Å²	143	71.1 Å²	71.1	70%	0.704	37%	0.372	S	S	*	.	H	α-helix	trans	-69.3	-26.4	-179.6	-67.8	-69.1	-89.1	0	0	113.8	H110 R111 T112	H110-M114 WeakPolarHBondContact O-CG 3.26Å; H110-M114 PolarHBondContact O-N 3.24Å; R111-M114 PolarHBondContact O-N 3.16Å; T112-M114 PolarHBondContact O-N 3.23Å
115	T	88.2	Confident	88	Confident	91 Å²	91	74.1 Å²	74.1	56%	0.558	39%	0.388	S	S	*	.	H	α-helix	trans	-92.4	-41	-177.3	-50.8	0	0	0	0	112.2	R111 T112 F113	R111-T115 VanDerWaalsContact O-CB 3.25Å; R111-T115 WeakPolarHBondContact O-CB 3.49Å; R111-T115 PolarHBondContact O-N 3.29Å; R111-T115 PolarHBondContact O-OG1 2.85Å; T112-T115 PolarHBondContact O-N 2.92Å; F113-T115 VanDerWaalsContact C-N 3.3Å; F113-T115 PolarHBondContact O-N 3.15Å
116	Y	87.9	Confident	86.3	Confident	37 Å²	37	73.5 Å²	73.5	15%	0.145	39%	0.385	C	S	.	.	H	α-helix	trans	-120.7	-7.8	-171.5	-53.7	-56.3	0	0	0	114.3	T112 Y118 S138 K145	T112-Y116 HydrophobicContact CG2-CD2 3.91Å; T112-Y116 PolarHBondContact O-N 2.91Å; Y116-Y118 HydrophobicContact CD2-CE1 4.3Å; Y116-Y118 HydrophobicContact CG-CE1 4.09Å; Y116-S138 WeakPolarHBondContact O-CB 3.3Å; Y116-K145 WeakPolarHBondContact CE2-O 3.33Å
117	G	89.5	Confident	84.7	Confident	23 Å²	23	69.9 Å²	69.9	24%	0.237	39%	0.385	C	S	.	.	S	Bend	trans	81.3	10.4	178.2	0	0	0	0	0	115.7	F113 G134 E135	F113-G117 WeakPolarHBondContact O-CA 3.28Å; F113-G117 PolarHBondContact O-N 3.35Å; G117-G134 CarbonylContact O-C 3.52Å; G117-G134 VanDerWaalsContact O-CA 3.26Å; G117-G134 WeakPolarHBondContact O-CA 3.35Å; G117-E135 PolarHBondContact O-N 2.62Å
118	Y	91.3	Very high	83	Confident	3 Å²	3	72.1 Å²	72.1	1%	0.012	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	156.2	175.6	67.7	-92.9	0	0	0	112.9	T112 F113 Y116 L132 V133 S138 M139 N142 G144 K145	T112-Y118 CarbonylContact C-O 3.59Å; T112-Y118 VanDerWaalsContact C-O 3.26Å; T112-Y118 HydrophobicContact CG2-CD2 4.14Å; T112-Y118 HydrophobicContact CG2-CE2 3.78Å; T112-Y118 WeakPolarHBondContact CG2-O 3.35Å; F113-Y118 VanDerWaalsContact CA-O 3.26Å; F113-Y118 WeakPolarHBondContact CA-O 3.42Å; F113-Y118 PolarHBondContact N-O 2.91Å; F113-Y118 VanDerWaalsContact N-O 3.11Å; Y116-Y118 HydrophobicContact CD2-CE1 4.3Å; Y116-Y118 HydrophobicContact CG-CE1 4.09Å; Y118-L132 HydrophobicContact CD2-CD2 4.47Å; Y118-V133 CarbonylContact C-O 3.52Å; Y118-V133 VanDerWaalsContact CA-O 3.26Å; Y118-V133 WeakPolarHBondContact CA-O 3.26Å; Y118-S138 WeakPolarHBondContact CE1-O 3.33Å; Y118-M139 HydrophobicContact CD1-CB 4.12Å; Y118-M139 HydrophobicContact CE1-CB 4.48Å; Y118-M139 HydrophobicContact CG-CB 4.13Å; Y118-N142 HydrophobicContact CE1-CB 4.05Å; Y118-N142 VanDerWaalsContact OH-CB 3.26Å; Y118-N142 WeakPolarHBondContact OH-CB 3.41Å; Y118-G144 VanDerWaalsContact OH-C 3.29Å; Y118-G144 WeakPolarHBondContact OH-CA 3.13Å; Y118-K145 PolarHBondContact OH-N 3.33Å; Y118-K145 VanDerWaalsContact OH-N 3.08Å; Y118-K145 PolarHBondContact OH-O 3.24Å
119	A	91.1	Very high	81.6	Confident	12 Å²	12	77.7 Å²	77.7	10%	0.099	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	166.8	175.4	0	0	0	0	0	111.4	Q109 F113 L132 V133	Q109-A119 HydrophobicContact CB-CB 4.27Å; F113-A119 HydrophobicContact CB-CB 4.01Å; F113-A119 HydrophobicContact CD2-CB 4.17Å; A119-L132 CarbonylContact O-C 3.54Å; A119-L132 WeakPolarHBondContact O-CA 3.48Å; A119-V133 PolarHBondContact N-O 3.38Å; A119-V133 PolarHBondContact O-N 2.9Å
120	E	87.1	Confident	80.6	Confident	83 Å²	83	86.5 Å²	86.5	39%	0.388	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	141.2	170	-68.6	177.7	151	0	0	111.3	Q109 P122 L132	Q109-E120 HydrophobicContact CG-CB 4.49Å; Q109-E120 VanDerWaalsContact NE2-CD 3.27Å; Q109-E120 PolarHBondContact NE2-OE2 2.83Å; Q109-E120 VanDerWaalsContact OE1-N 3.11Å; E120-P122 WeakPolarHBondContact O-CD 3.39Å; E120-L132 HydrophobicContact CG-CD2 3.73Å
121	D	86.8	Confident	79.9	Confident	59 Å²	59	89.8 Å²	89.8	32%	0.316	48%	0.484	S	S	.	.			trans	-65.9	120.4	176.4	-168.5	-6.8	0	0	0	110.3	S123 R131 V133	D121-S123 PolarHBondContact O-N 2.94Å; D121-S123 VanDerWaalsContact OD1-CB 3.32Å; D121-S123 WeakPolarHBondContact OD1-CB 3.41Å; D121-S123 PolarHBondContact OD1-N 2.84Å; D121-S123 PolarHBondContact OD1-OG 3.34Å; D121-S123 PolarHBondContact OD2-OG 3.5Å; D121-R131 HydrophobicContact CB-CB 4.14Å; D121-R131 WeakPolarHBondContact CB-O 3.21Å; D121-R131 PolarHBondContact N-O 3.38Å; D121-V133 HydrophobicContact CB-CG2 3.62Å
122	P	86.4	Confident	79.3	Confident	122 Å²	122	87.4 Å²	87.4	79%	0.792	48%	0.481	S	S	*	.			trans	-79.4	3.5	177.1	33.5	-36.3	0	0	0	113.7	E120	E120-P122 WeakPolarHBondContact O-CD 3.39Å
123	S	83.9	Confident	79	Confident	59 Å²	59	91 Å²	91	41%	0.413	50%	0.502	S	S	.	.			trans	-68.5	135.5	-177.5	70.4	0	0	0	0	113.4	D121 E125	D121-S123 PolarHBondContact O-N 2.94Å; D121-S123 VanDerWaalsContact OD1-CB 3.32Å; D121-S123 WeakPolarHBondContact OD1-CB 3.41Å; D121-S123 PolarHBondContact OD1-N 2.84Å; D121-S123 PolarHBondContact OD1-OG 3.34Å; D121-S123 PolarHBondContact OD2-OG 3.5Å; S123-E125 VanDerWaalsContact C-N 3.35Å
124	V	70	Confident	78.7	Confident	131 Å²	131	88.3 Å²	88.3	79%	0.794	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-23.2	-177.8	-175.2	0	0	0	0	112.2
125	E	64.8	Low	78.5	Confident	194 Å²	194	86 Å²	86	91%	0.907	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	4	-174.9	-67.7	-173.7	156.5	0	0	114.3	S123 G127	S123-E125 VanDerWaalsContact C-N 3.35Å; E125-G127 PolarHBondContact O-N 3.1Å
126	G	55.4	Low	78.2	Confident	28 Å²	28	85.5 Å²	85.5	29%	0.289	49%	0.489	S	S	.	.			trans	-77.9	115.4	171.6	0	0	0	0	0	110.7
127	G	57.2	Low	78	Confident	54 Å²	54	90.5 Å²	90.5	56%	0.557	51%	0.513	S	S	*	.			trans	-53	176.5	171	0	0	0	0	0	113.3	E125 D129	E125-G127 PolarHBondContact O-N 3.1Å; G127-D129 PolarHBondContact O-N 2.98Å
128	A	57.7	Low	77.6	Confident	110 Å²	110	90.5 Å²	90.5	91%	0.909	51%	0.51	S	S	*	.	S	Bend	trans	-50.9	-9.4	-167.2	0	0	0	0	0	118.1
129	D	64.5	Low	77	Confident	134 Å²	134	92.7 Å²	92.7	72%	0.717	52%	0.521	S	S	*	.	S	Bend	trans	-81.3	116.6	174	-72.4	-20.9	0	0	0	111.4	G127 R131	G127-D129 PolarHBondContact O-N 2.98Å; D129-R131 PolarHBondContact O-N 3.02Å
130	R	69.5	Low	76.5	Confident	218 Å²	218	99.1 Å²	99.1	82%	0.823	55%	0.55	S	S	*	*			trans	-62.2	101.9	173.3	-65.2	-177.9	-175.3	176.7	0.8	110.3
131	R	77.6	Confident	76.3	Confident	157 Å²	157	101.9 Å²	101.9	59%	0.592	56%	0.564	S	S	*	*			trans	-84.4	132	176.7	-67	-179.2	-175	171	2.1	110.4	D121 D129	D121-R131 HydrophobicContact CB-CB 4.14Å; D121-R131 WeakPolarHBondContact CB-O 3.21Å; D121-R131 PolarHBondContact N-O 3.38Å; D129-R131 PolarHBondContact O-N 3.02Å
132	L	80.8	Confident	76	Confident	77 Å²	77	99.5 Å²	99.5	40%	0.403	55%	0.551	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-100.2	137.5	171.4	-70.7	157.3	0	0	0	108.7	Y118 A119 E120 M139	Y118-L132 HydrophobicContact CD2-CD2 4.47Å; A119-L132 CarbonylContact O-C 3.54Å; A119-L132 WeakPolarHBondContact O-CA 3.48Å; E120-L132 HydrophobicContact CG-CD2 3.73Å; L132-M139 HydrophobicContact CB-SD 3.91Å; L132-M139 HydrophobicContact CD1-CG 4.15Å; L132-M139 HydrophobicContact CD1-SD 3.53Å; L132-M139 VanDerWaalsContact CD1-SD 3.53Å; L132-M139 HydrophobicContact CG-SD 4.34Å
133	V	84.7	Confident	75.9	Confident	75 Å²	75	100.9 Å²	100.9	46%	0.455	55%	0.547	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	141	-178.4	-174.8	0	0	0	0	109.1	Y118 A119 D121	Y118-V133 CarbonylContact C-O 3.52Å; Y118-V133 VanDerWaalsContact CA-O 3.26Å; Y118-V133 WeakPolarHBondContact CA-O 3.26Å; A119-V133 PolarHBondContact N-O 3.38Å; A119-V133 PolarHBondContact O-N 2.9Å; D121-V133 HydrophobicContact CB-CG2 3.62Å
134	G	87.4	Confident	75.7	Confident	44 Å²	44	99.4 Å²	99.4	45%	0.454	54%	0.54	S	S	.	.	E	Extended strand (participates in β ladder)	trans	127.8	-146.2	176.9	0	0	0	0	0	112.5	G117 P136	G117-G134 CarbonylContact O-C 3.52Å; G117-G134 VanDerWaalsContact O-CA 3.26Å; G117-G134 WeakPolarHBondContact O-CA 3.35Å; G134-P136 WeakPolarHBondContact O-CD 3.15Å
135	E	86.3	Confident	76.5	Confident	96 Å²	96	95.3 Å²	95.3	45%	0.449	51%	0.512	S	S	.	.			trans	-81.4	111.7	-179.5	-171.3	170.4	-139.3	0	0	111.3	G117 E137 S138 M139	G117-E135 PolarHBondContact O-N 2.62Å; E135-E137 VanDerWaalsContact C-N 3.29Å; E135-E137 HydrophobicContact CG-CB 4.45Å; E135-E137 PolarHBondContact O-N 2.92Å; E135-S138 PolarHBondContact OE2-OG 3.48Å; E135-M139 PolarHBondContact O-N 2.76Å
136	P	82.6	Confident	77.5	Confident	80 Å²	80	86.8 Å²	86.8	52%	0.519	47%	0.473	S	S	.	.	H	α-helix	trans	-70.4	-25.3	-174	28.9	-35.2	0	0	0	112.9	G134 M139 M140	G134-P136 WeakPolarHBondContact O-CD 3.15Å; P136-M139 WeakPolarHBondContact O-CB 3.46Å; P136-M139 PolarHBondContact O-N 2.96Å; P136-M140 PolarHBondContact O-N 3.16Å
137	E	83	Confident	79	Confident	141 Å²	141	87 Å²	87	66%	0.659	47%	0.473	S	S	*	.	H	α-helix	trans	-68.5	-52.7	178.4	-61.7	-174	172.7	0	0	110.5	E135 M139 M140 E141	E135-E137 VanDerWaalsContact C-N 3.29Å; E135-E137 HydrophobicContact CG-CB 4.45Å; E135-E137 PolarHBondContact O-N 2.92Å; E137-M139 PolarHBondContact O-N 3.2Å; E137-M140 PolarHBondContact O-N 3.43Å; E137-M140 VanDerWaalsContact O-N 3.07Å; E137-E141 PolarHBondContact O-N 3.44Å
138	S	81.5	Confident	80.3	Confident	23 Å²	23	87.7 Å²	87.7	16%	0.161	47%	0.468	C	S	.	.	H	α-helix	trans	-58.4	-30.5	175	-67	0	0	0	0	112.8	Y116 Y118 E135 N142	Y116-S138 WeakPolarHBondContact O-CB 3.3Å; Y118-S138 WeakPolarHBondContact CE1-O 3.33Å; E135-S138 PolarHBondContact OE2-OG 3.48Å; S138-N142 WeakPolarHBondContact O-CB 3.38Å; S138-N142 PolarHBondContact O-N 2.86Å; S138-N142 PolarHBondContact O-ND2 3.01Å
139	M	79.2	Confident	81.8	Confident	49 Å²	49	87.3 Å²	87.3	24%	0.241	45%	0.447	C	S	.	.	H	α-helix	trans	-66.7	-47.7	174	179.1	-164.4	72.5	0	0	112	Y118 L132 E135 P136 E137 N142 E143 G144	Y118-M139 HydrophobicContact CD1-CB 4.12Å; Y118-M139 HydrophobicContact CE1-CB 4.48Å; Y118-M139 HydrophobicContact CG-CB 4.13Å; L132-M139 HydrophobicContact CB-SD 3.91Å; L132-M139 HydrophobicContact CD1-CG 4.15Å; L132-M139 HydrophobicContact CD1-SD 3.53Å; L132-M139 VanDerWaalsContact CD1-SD 3.53Å; L132-M139 HydrophobicContact CG-SD 4.34Å; E135-M139 PolarHBondContact O-N 2.76Å; P136-M139 WeakPolarHBondContact O-CB 3.46Å; P136-M139 PolarHBondContact O-N 2.96Å; E137-M139 PolarHBondContact O-N 3.2Å; M139-N142 PolarHBondContact O-N 2.86Å; M139-E143 PolarHBondContact O-N 3.35Å; M139-E143 VanDerWaalsContact O-N 3.09Å; M139-G144 PolarHBondContact O-N 3.01Å
140	M	80.9	Confident	82.5	Confident	147 Å²	147	90.6 Å²	90.6	72%	0.724	46%	0.455	S	S	*	.	H	α-helix	trans	-65	-40.7	179.1	-70.7	-169.6	-172.7	0	0	111.7	P136 E137 N142 E143	P136-M140 PolarHBondContact O-N 3.16Å; E137-M140 PolarHBondContact O-N 3.43Å; E137-M140 VanDerWaalsContact O-N 3.07Å; M140-N142 VanDerWaalsContact C-N 3.27Å; M140-N142 PolarHBondContact O-N 3.4Å; M140-E143 PolarHBondContact O-N 3.43Å
141	E	82	Confident	82.7	Confident	142 Å²	142	83.9 Å²	83.9	66%	0.664	43%	0.43	S	S	*	.	H	α-helix	trans	-64.1	-32.1	178.5	-70.6	-172.9	173	0	0	113.5	E137	E137-E141 PolarHBondContact O-N 3.44Å
142	N	81.5	Confident	82.3	Confident	9 Å²	9	84.5 Å²	84.5	5%	0.048	44%	0.439	C	S	.	.	H	α-helix	trans	-101.6	2.3	-175	-67.1	-50.1	0	0	0	113.8	Y118 S138 M139 M140 G144 K145 R151	Y118-N142 HydrophobicContact CE1-CB 4.05Å; Y118-N142 VanDerWaalsContact OH-CB 3.26Å; Y118-N142 WeakPolarHBondContact OH-CB 3.41Å; S138-N142 WeakPolarHBondContact O-CB 3.38Å; S138-N142 PolarHBondContact O-N 2.86Å; S138-N142 PolarHBondContact O-ND2 3.01Å; M139-N142 PolarHBondContact O-N 2.86Å; M140-N142 VanDerWaalsContact C-N 3.27Å; M140-N142 PolarHBondContact O-N 3.4Å; N142-G144 PolarHBondContact O-N 3.45Å; N142-K145 WeakPolarHBondContact O-CB 3.17Å; N142-K145 VanDerWaalsContact O-CG 3.31Å; N142-K145 WeakPolarHBondContact O-CG 3.42Å; N142-K145 PolarHBondContact O-N 2.99Å; N142-K145 VanDerWaalsContact O-N 3.16Å; N142-R151 PolarHBondContact OD1-NE 2.69Å; N142-R151 PolarHBondContact OD1-NH1 2.92Å; N142-R151 PolarHBondContact OD1-NH2 3.38Å
143	E	82.4	Confident	81.8	Confident	151 Å²	151	88.3 Å²	88.3	71%	0.706	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.7	28	-177	-57.3	173.3	164.1	0	0	113.3	M139 M140 K145	M139-E143 PolarHBondContact O-N 3.35Å; M139-E143 VanDerWaalsContact O-N 3.09Å; M140-E143 PolarHBondContact O-N 3.43Å; E143-K145 VanDerWaalsContact C-N 3.27Å; E143-K145 PolarHBondContact O-N 3.17Å; E143-K145 WeakPolarHBondContact OE2-CE 3.26Å; E143-K145 IonicContact OE2-NZ 2.71Å; E143-K145 PolarHBondContact OE2-NZ 3.08Å
144	G	81.4	Confident	80.9	Confident	27 Å²	27	90.1 Å²	90.1	28%	0.278	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.6	15.8	-178.1	0	0	0	0	0	115.5	Y118 M139 N142	Y118-G144 VanDerWaalsContact OH-C 3.29Å; Y118-G144 WeakPolarHBondContact OH-CA 3.13Å; M139-G144 PolarHBondContact O-N 3.01Å; N142-G144 PolarHBondContact O-N 3.45Å
145	K	85.1	Confident	79.5	Confident	46 Å²	46	98.7 Å²	98.7	20%	0.2	48%	0.484	C	S	.	.			trans	-65.8	135.7	-178.8	-72.4	171.1	-175.4	144.6	0	113.1	Y116 Y118 N142 E143 E149	Y116-K145 WeakPolarHBondContact CE2-O 3.33Å; Y118-K145 PolarHBondContact OH-N 3.33Å; Y118-K145 VanDerWaalsContact OH-N 3.08Å; Y118-K145 PolarHBondContact OH-O 3.24Å; N142-K145 WeakPolarHBondContact O-CB 3.17Å; N142-K145 VanDerWaalsContact O-CG 3.31Å; N142-K145 WeakPolarHBondContact O-CG 3.42Å; N142-K145 PolarHBondContact O-N 2.99Å; N142-K145 VanDerWaalsContact O-N 3.16Å; E143-K145 VanDerWaalsContact C-N 3.27Å; E143-K145 PolarHBondContact O-N 3.17Å; E143-K145 WeakPolarHBondContact OE2-CE 3.26Å; E143-K145 IonicContact OE2-NZ 2.71Å; E143-K145 PolarHBondContact OE2-NZ 3.08Å; K145-E149 VanDerWaalsContact CA-OE2 3.28Å; K145-E149 WeakPolarHBondContact CA-OE2 3.25Å; K145-E149 HydrophobicContact CB-CB 4.31Å
146	T	87.8	Confident	78.6	Confident	14 Å²	14	97.4 Å²	97.4	9%	0.086	50%	0.496	C	S	.	.			trans	-78.5	164.1	177.4	83.3	0	0	0	0	112.1	N108 T112 C148 E149	N108-T146 VanDerWaalsContact CG-OG1 3.26Å; N108-T146 WeakPolarHBondContact ND2-CB 3.34Å; N108-T146 PolarHBondContact ND2-OG1 2.83Å; N108-T146 WeakPolarHBondContact OD1-CB 3.27Å; N108-T146 PolarHBondContact OD1-OG1 2.94Å; T112-T146 VanDerWaalsContact OG1-CA 3.3Å; T112-T146 WeakPolarHBondContact OG1-CA 3.24Å; T112-T146 WeakPolarHBondContact OG1-CB 3.26Å; T146-C148 PolarHBondContact O-N 3.47Å; T146-C148 VanDerWaalsContact O-N 3.1Å; T146-E149 PolarHBondContact N-OE2 3.29Å; T146-E149 PolarHBondContact O-N 3.12Å
147	A	85.4	Confident	77.9	Confident	34 Å²	34	97.6 Å²	97.6	28%	0.281	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-22.9	179.2	0	0	0	0	0	114.1	R111 T112	R111-A147 HydrophobicContact CB-CB 3.67Å; T112-A147 PolarHBondContact OG1-N 3.42Å
148	C	85.7	Confident	77.5	Confident	68 Å²	68	97.1 Å²	97.1	46%	0.459	49%	0.494	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-15.2	177.1	-60.4	0	0	0	0	113.2	F104 N108 T146	F104-C148 HydrophobicContact CZ-CB 4.45Å; N108-C148 PolarHBondContact OD1-N 3.31Å; N108-C148 PolarHBondContact OD1-SG 3.46Å; T146-C148 PolarHBondContact O-N 3.47Å; T146-C148 VanDerWaalsContact O-N 3.1Å
149	E	87.8	Confident	77.7	Confident	102 Å²	102	102.2 Å²	102.2	48%	0.477	51%	0.51	S	S	.	.	S	Bend	trans	-86.3	144.2	-178.2	-67.5	177.5	171.9	0	0	111.5	K145 T146 R151	K145-E149 VanDerWaalsContact CA-OE2 3.28Å; K145-E149 WeakPolarHBondContact CA-OE2 3.25Å; K145-E149 HydrophobicContact CB-CB 4.31Å; T146-E149 PolarHBondContact N-OE2 3.29Å; T146-E149 PolarHBondContact O-N 3.12Å; E149-R151 PolarHBondContact O-N 3.18Å
150	K	79.9	Confident	78	Confident	203 Å²	203	107.6 Å²	107.6	88%	0.883	53%	0.532	S	S	*	.			trans	-73.5	116	-179.4	-70.2	-178.2	-179.2	175.7	0	110
151	R	75	Confident	78.2	Confident	77 Å²	77	106.5 Å²	106.5	29%	0.291	52%	0.52	S	S	.	.	P	Polyproline II helix	trans	-87	146.9	170.1	-169.3	-176.5	170.2	-167.2	4.7	111.5	N142 E149 K153	N142-R151 PolarHBondContact OD1-NE 2.69Å; N142-R151 PolarHBondContact OD1-NH1 2.92Å; N142-R151 PolarHBondContact OD1-NH2 3.38Å; E149-R151 PolarHBondContact O-N 3.18Å; R151-K153 PolarHBondContact O-N 2.91Å
152	Q	68.9	Low	78.3	Confident	169 Å²	169	104.5 Å²	104.5	79%	0.79	51%	0.514	S	S	*	.	P	Polyproline II helix	trans	-68.9	116.7	164.3	-72.6	-176.2	-0.6	0	0	108.9
153	K	68.5	Low	78.4	Confident	158 Å²	158	106.8 Å²	106.8	69%	0.687	53%	0.53	S	S	*	.	P	Polyproline II helix	trans	-72	127.8	-179.6	-63.4	-178.3	-179.4	-179.5	0	110.1	R151 L158	R151-K153 PolarHBondContact O-N 2.91Å; K153-L158 HydrophobicContact CD-CD1 4.49Å
154	L	67	Low	78.6	Confident	112 Å²	112	101.9 Å²	101.9	59%	0.586	51%	0.509	S	S	*	.	P	Polyproline II helix	trans	-79.6	154	175	-72.7	165.6	0	0	0	110.2	G156 D157	L154-G156 VanDerWaalsContact C-N 3.28Å; L154-G156 PolarHBondContact O-N 3.01Å; L154-D157 PolarHBondContact N-OD2 2.78Å; L154-D157 PolarHBondContact O-N 3.24Å
155	K	57.9	Low	78.9	Confident	225 Å²	225	108.1 Å²	108.1	98%	0.978	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	82.6	-179.9	-157.8	178.9	-174.9	-178.3	0	109.3
156	G	68.2	Low	79	Confident	68 Å²	68	109.7 Å²	109.7	70%	0.701	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	160.5	-22.1	-175.9	0	0	0	0	0	113.6	L154 L158	L154-G156 VanDerWaalsContact C-N 3.28Å; L154-G156 PolarHBondContact O-N 3.01Å; G156-L158 PolarHBondContact O-N 3.28Å
157	D	66.2	Low	78.8	Confident	84 Å²	84	114.1 Å²	114.1	45%	0.449	56%	0.564	S	S	.	*	S	Bend	trans	-64.9	-23.5	-174.9	-65.6	-12.6	0	0	0	114.1	L154	L154-D157 PolarHBondContact N-OD2 2.78Å; L154-D157 PolarHBondContact O-N 3.24Å
158	L	76.1	Confident	78.9	Confident	131 Å²	131	118.5 Å²	118.5	69%	0.686	59%	0.587	S	S	*	*	S	Bend	trans	-101	105.9	-175.7	-69	164.6	0	0	0	110.5	K153 G156 K160	K153-L158 HydrophobicContact CD-CD1 4.49Å; G156-L158 PolarHBondContact O-N 3.28Å; L158-K160 PolarHBondContact O-N 3.44Å
159	R	85.3	Confident	78.8	Confident	130 Å²	130	117 Å²	117	49%	0.491	58%	0.577	S	S	.	*	P	Polyproline II helix	trans	-64.8	130.2	166.5	-68.8	177.7	66.5	-169.2	-4.9	109.8	R161 Y179 D181	R159-R161 PolarHBondContact O-N 3.25Å; R159-Y179 HydrophobicContact CB-CD1 3.38Å; R159-Y179 HydrophobicContact CB-CE1 3.52Å; R159-Y179 HydrophobicContact CB-CG 4.16Å; R159-D181 IonicContact CZ-OD1 3.25Å; R159-D181 IonicContact CZ-OD2 3.02Å; R159-D181 IonicContact NE-OD1 2.78Å; R159-D181 IonicContact NE-OD2 2.67Å; R159-D181 PolarHBondContact NE-OD2 3.39Å; R159-D181 VanDerWaalsContact NH2-CG 3.31Å; R159-D181 IonicContact NH2-OD1 3.5Å; R159-D181 PolarHBondContact NH2-OD1 3.49Å; R159-D181 IonicContact NH2-OD2 3.59Å; R159-D181 PolarHBondContact NH2-OD2 3.34Å
160	K	84.2	Confident	78.6	Confident	162 Å²	162	121.7 Å²	121.7	70%	0.704	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-70.9	127.1	-177.5	-67.9	-179.1	-178.8	176.3	0	110.3	L158 Y179 K180	L158-K160 PolarHBondContact O-N 3.44Å; K160-Y179 WeakPolarHBondContact O-CA 3.31Å; K160-K180 HydrophobicContact CB-CD 4.04Å; K160-K180 PolarHBondContact O-N 3.42Å
161	R	86.8	Confident	78.9	Confident	124 Å²	124	118.2 Å²	118.2	47%	0.468	59%	0.59	S	S	.	*	B	Isolated β-bridge	trans	-97.2	149.5	171.8	-65	-178.3	-178	-179.7	1.3	110.5	R159 S163 A177 K178 Y179	R159-R161 PolarHBondContact O-N 3.25Å; R161-S163 PolarHBondContact O-N 2.93Å; R161-A177 HydrophobicContact CB-CB 4.06Å; R161-K178 WeakPolarHBondContact CA-O 3.04Å; R161-Y179 HydrophobicContact CG-CD1 3.48Å; R161-Y179 VanDerWaalsContact CG-CD1 3.48Å; R161-Y179 HydrophobicContact CG-CE1 3.59Å; R161-Y179 HydrophobicContact CG-CG 4.32Å; R161-Y179 VanDerWaalsContact NE-CE1 3.31Å; R161-Y179 PolarHBondContact NH2-OH 3.29Å
162	D	82.9	Confident	79.5	Confident	101 Å²	101	119.1 Å²	119.1	54%	0.54	60%	0.595	S	S	.	*			trans	-93	75.8	170.1	-142.7	6.1	0	0	0	109	T173 K178 K180	D162-T173 PolarHBondContact O-OG1 3.17Å; D162-K178 PolarHBondContact N-O 3.07Å; D162-K180 HydrophobicContact CB-CG 4Å; D162-K180 IonicContact OD1-NZ 2.93Å; D162-K180 PolarHBondContact OD1-NZ 2.85Å; D162-K180 IonicContact OD2-NZ 3.26Å
163	S	84.7	Confident	80.3	Confident	57 Å²	57	113.2 Å²	113.2	40%	0.399	57%	0.57	S	S	.	*			trans	-95.9	114.3	-173.4	66.1	0	0	0	0	111.5	R161 W165 T173	R161-S163 PolarHBondContact O-N 2.93Å; S163-W165 PolarHBondContact OG-NE1 3.4Å; S163-T173 WeakPolarHBondContact CA-OG1 3.43Å
164	N	86.3	Confident	81.3	Confident	48 Å²	48	105.7 Å²	105.7	26%	0.257	54%	0.538	S	S	.	.			trans	-101	120.1	164	-177.5	10.3	0	0	0	109.5	D166 S169 D171 Y172 T173 G174	N164-D166 PolarHBondContact OD1-N 2.93Å; N164-D166 VanDerWaalsContact OD1-N 3.14Å; N164-S169 PolarHBondContact ND2-OG 3.04Å; N164-D171 VanDerWaalsContact CB-O 3.25Å; N164-D171 WeakPolarHBondContact CB-O 3.41Å; N164-D171 PolarHBondContact ND2-O 2.82Å; N164-Y172 WeakPolarHBondContact O-CD2 3.5Å; N164-T173 PolarHBondContact N-OG1 2.9Å; N164-T173 PolarHBondContact O-N 3.24Å; N164-T173 PolarHBondContact O-OG1 2.67Å; N164-G174 PolarHBondContact O-N 3.34Å
165	W	86.9	Confident	82.3	Confident	158 Å²	158	104 Å²	104	60%	0.598	53%	0.533	S	S	*	.			trans	-104.5	2.7	-177.6	-71	94.9	0	0	0	113.1	S163 P167 P175	S163-W165 PolarHBondContact OG-NE1 3.4Å; W165-P167 WeakPolarHBondContact O-CD 3.44Å; W165-P175 HydrophobicContact CH2-CG 3.9Å; W165-P175 HydrophobicContact CZ3-CG 4.13Å
166	D	87.9	Confident	83.7	Confident	78 Å²	78	103 Å²	103	42%	0.417	52%	0.523	S	S	.	.			trans	-80	108.1	176.1	-176.8	0.6	0	0	0	110.2	N164 T168 S169 Y172	N164-D166 PolarHBondContact OD1-N 2.93Å; N164-D166 VanDerWaalsContact OD1-N 3.14Å; D166-T168 PolarHBondContact O-N 2.93Å; D166-T168 VanDerWaalsContact O-N 3.11Å; D166-T168 WeakPolarHBondContact OD1-CB 3.31Å; D166-T168 PolarHBondContact OD1-N 3.47Å; D166-T168 PolarHBondContact OD1-OG1 3.41Å; D166-S169 PolarHBondContact O-N 3.4Å; D166-S169 PolarHBondContact O-OG 2.87Å; D166-Y172 WeakPolarHBondContact O-CD2 3.4Å
167	P	84	Confident	84.7	Confident	108 Å²	108	100.1 Å²	100.1	70%	0.701	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-8.7	-178.5	31.4	-37	0	0	0	113.4	W165	W165-P167 WeakPolarHBondContact O-CD 3.44Å
168	T	86.8	Confident	85.7	Confident	126 Å²	126	101.8 Å²	101.8	77%	0.773	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-15.5	-179.3	-27.8	0	0	0	0	112.8	D166	D166-T168 PolarHBondContact O-N 2.93Å; D166-T168 VanDerWaalsContact O-N 3.11Å; D166-T168 WeakPolarHBondContact OD1-CB 3.31Å; D166-T168 PolarHBondContact OD1-N 3.47Å; D166-T168 PolarHBondContact OD1-OG1 3.41Å
169	S	84	Confident	86.4	Confident	35 Å²	35	98.9 Å²	98.9	25%	0.245	48%	0.476	C	S	.	.	S	Bend	trans	-90.1	144.4	-176	65.9	0	0	0	0	112	N164 D166 D171 Y172	N164-S169 PolarHBondContact ND2-OG 3.04Å; D166-S169 PolarHBondContact O-N 3.4Å; D166-S169 PolarHBondContact O-OG 2.87Å; S169-D171 PolarHBondContact O-N 3.18Å; S169-Y172 PolarHBondContact O-N 3.09Å
170	E	83.4	Confident	86.4	Confident	202 Å²	202	98.6 Å²	98.6	94%	0.944	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-26.8	175.2	-67.1	-175.2	172.9	0	0	112.2	Y172	E170-Y172 VanDerWaalsContact C-N 3.29Å; E170-Y172 PolarHBondContact O-N 3.38Å
171	D	84.9	Confident	86.5	Confident	130 Å²	130	95.6 Å²	95.6	70%	0.695	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	20.5	179.6	-62.1	-38.7	0	0	0	113.3	N164 S169 T173	N164-D171 VanDerWaalsContact CB-O 3.25Å; N164-D171 WeakPolarHBondContact CB-O 3.41Å; N164-D171 PolarHBondContact ND2-O 2.82Å; S169-D171 PolarHBondContact O-N 3.18Å; D171-T173 PolarHBondContact O-N 3.02Å
172	Y	89.4	Confident	86.5	Confident	96 Å²	96	94 Å²	94	38%	0.376	47%	0.468	S	S	.	.			trans	-62.7	120.9	179.4	174.6	-101.4	0	0	0	111.6	N164 D166 S169 E170	N164-Y172 WeakPolarHBondContact O-CD2 3.5Å; D166-Y172 WeakPolarHBondContact O-CD2 3.4Å; S169-Y172 PolarHBondContact O-N 3.09Å; E170-Y172 VanDerWaalsContact C-N 3.29Å; E170-Y172 PolarHBondContact O-N 3.38Å
173	T	85.8	Confident	86.6	Confident	44 Å²	44	95 Å²	95	27%	0.27	48%	0.478	S	S	.	.			trans	-111.1	-28.6	179.1	62.7	0	0	0	0	113.2	D162 S163 N164 D171 W176 A177	D162-T173 PolarHBondContact O-OG1 3.17Å; S163-T173 WeakPolarHBondContact CA-OG1 3.43Å; N164-T173 PolarHBondContact N-OG1 2.9Å; N164-T173 PolarHBondContact O-N 3.24Å; N164-T173 PolarHBondContact O-OG1 2.67Å; D171-T173 PolarHBondContact O-N 3.02Å; T173-W176 CarbonylContact O-C 3.53Å; T173-W176 WeakPolarHBondContact O-CA 3.41Å; T173-W176 WeakPolarHBondContact O-CB 3.29Å; T173-W176 PolarHBondContact O-N 3.5Å; T173-A177 PolarHBondContact O-N 2.84Å
174	G	87.7	Confident	86.5	Confident	1 Å²	1	96.5 Å²	96.5	1%	0.01	48%	0.484	C	S	.	.	G	3₁₀ helix	trans	47.8	-135.3	-178.9	0	0	0	0	0	113.8	N164 W176 A177	N164-G174 PolarHBondContact O-N 3.34Å; G174-W176 PolarHBondContact O-N 2.7Å; G174-A177 WeakPolarHBondContact O-CB 3.32Å; G174-A177 PolarHBondContact O-N 3.37Å
175	P	89.2	Confident	86.6	Confident	75 Å²	75	99 Å²	99	49%	0.487	50%	0.501	S	S	.	.	G	3₁₀ helix	trans	-63.6	-19.3	174.9	-22	33	0	0	0	115.4	W165 A177	W165-P175 HydrophobicContact CH2-CG 3.9Å; W165-P175 HydrophobicContact CZ3-CG 4.13Å; P175-A177 PolarHBondContact O-N 3.17Å
176	W	86.2	Confident	86.5	Confident	206 Å²	206	97 Å²	97	78%	0.78	51%	0.512	S	S	*	.	G	3₁₀ helix	trans	-86.6	8.9	179.9	-58.6	-87.8	0	0	0	113.3	T173 G174 K178	T173-W176 CarbonylContact O-C 3.53Å; T173-W176 WeakPolarHBondContact O-CA 3.41Å; T173-W176 WeakPolarHBondContact O-CB 3.29Å; T173-W176 PolarHBondContact O-N 3.5Å; G174-W176 PolarHBondContact O-N 2.7Å; W176-K178 PolarHBondContact O-N 3.07Å; W176-K178 VanDerWaalsContact O-N 3.07Å
177	A	88.8	Confident	86.5	Confident	7 Å²	7	98 Å²	98	6%	0.058	52%	0.52	C	S	.	.			trans	-53.7	113.9	173.8	0	0	0	0	0	111.3	R161 T173 G174 P175	R161-A177 HydrophobicContact CB-CB 4.06Å; T173-A177 PolarHBondContact O-N 2.84Å; G174-A177 WeakPolarHBondContact O-CB 3.32Å; G174-A177 PolarHBondContact O-N 3.37Å; P175-A177 PolarHBondContact O-N 3.17Å
178	K	89.2	Confident	86.8	Confident	118 Å²	118	95.7 Å²	95.7	51%	0.513	51%	0.505	S	S	.	.			trans	-64.5	157.3	173.3	-64.9	177.1	-176.7	169.4	0	110.3	R161 D162 W176 T184	R161-K178 WeakPolarHBondContact CA-O 3.04Å; D162-K178 PolarHBondContact N-O 3.07Å; W176-K178 PolarHBondContact O-N 3.07Å; W176-K178 VanDerWaalsContact O-N 3.07Å; K178-T184 HydrophobicContact CD-CG2 3.79Å
179	Y	89.9	Confident	87	Confident	71 Å²	71	92.4 Å²	92.4	28%	0.278	49%	0.487	S	S	.	.	B	Isolated β-bridge	trans	-72	146	170.2	-59.1	-77.6	0	0	0	110.3	R159 K160 R161 D181 E182	R159-Y179 HydrophobicContact CB-CD1 3.38Å; R159-Y179 HydrophobicContact CB-CE1 3.52Å; R159-Y179 HydrophobicContact CB-CG 4.16Å; K160-Y179 WeakPolarHBondContact O-CA 3.31Å; R161-Y179 HydrophobicContact CG-CD1 3.48Å; R161-Y179 VanDerWaalsContact CG-CD1 3.48Å; R161-Y179 HydrophobicContact CG-CE1 3.59Å; R161-Y179 HydrophobicContact CG-CG 4.32Å; R161-Y179 VanDerWaalsContact NE-CE1 3.31Å; R161-Y179 PolarHBondContact NH2-OH 3.29Å; Y179-D181 WeakPolarHBondContact CB-OD1 3.44Å; Y179-D181 PolarHBondContact O-N 3.45Å; Y179-D181 VanDerWaalsContact O-N 3.17Å; Y179-E182 PolarHBondContact N-OE2 3.28Å; Y179-E182 VanDerWaalsContact N-OE2 3.17Å; Y179-E182 VanDerWaalsContact O-CB 3.31Å; Y179-E182 WeakPolarHBondContact O-CB 3.34Å; Y179-E182 PolarHBondContact O-N 2.97Å
180	K	85.9	Confident	87.3	Confident	124 Å²	124	96.9 Å²	96.9	54%	0.539	51%	0.505	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-23.9	-179.5	-71	178.7	-177.4	-82.4	0	112.8	K160 D162	K160-K180 HydrophobicContact CB-CD 4.04Å; K160-K180 PolarHBondContact O-N 3.42Å; D162-K180 HydrophobicContact CB-CG 4Å; D162-K180 IonicContact OD1-NZ 2.93Å; D162-K180 PolarHBondContact OD1-NZ 2.85Å; D162-K180 IonicContact OD2-NZ 3.26Å
181	D	85.9	Confident	87.8	Confident	98 Å²	98	95.1 Å²	95.1	52%	0.524	50%	0.496	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96	3.6	178.7	62	-15.1	0	0	0	113.2	R159 Y179	R159-D181 IonicContact CZ-OD1 3.25Å; R159-D181 IonicContact CZ-OD2 3.02Å; R159-D181 IonicContact NE-OD1 2.78Å; R159-D181 IonicContact NE-OD2 2.67Å; R159-D181 PolarHBondContact NE-OD2 3.39Å; R159-D181 VanDerWaalsContact NH2-CG 3.31Å; R159-D181 IonicContact NH2-OD1 3.5Å; R159-D181 PolarHBondContact NH2-OD1 3.49Å; R159-D181 IonicContact NH2-OD2 3.59Å; R159-D181 PolarHBondContact NH2-OD2 3.34Å; Y179-D181 WeakPolarHBondContact CB-OD1 3.44Å; Y179-D181 PolarHBondContact O-N 3.45Å; Y179-D181 VanDerWaalsContact O-N 3.17Å
182	E	86.9	Confident	88.2	Confident	91 Å²	91	92.9 Å²	92.9	43%	0.425	48%	0.484	S	S	.	.			trans	-86.4	114.3	-175.9	-172.2	177.3	178.6	0	0	111.8	Y179	Y179-E182 PolarHBondContact N-OE2 3.28Å; Y179-E182 VanDerWaalsContact N-OE2 3.17Å; Y179-E182 VanDerWaalsContact O-CB 3.31Å; Y179-E182 WeakPolarHBondContact O-CB 3.34Å; Y179-E182 PolarHBondContact O-N 2.97Å
183	V	83.9	Confident	88.3	Confident	122 Å²	122	93.3 Å²	93.3	74%	0.739	49%	0.485	S	S	*	.			trans	-91.7	113	171.1	-177.3	0	0	0	0	108.7	V185	V183-V185 WeakPolarHBondContact CG1-O 3.48Å
184	T	83.6	Confident	88.7	Confident	88 Å²	88	95.3 Å²	95.3	54%	0.54	50%	0.497	S	S	.	.	S	Bend	trans	-76.9	-20.3	-175.9	53.2	0	0	0	0	114.8	K178	K178-T184 HydrophobicContact CD-CG2 3.79Å
185	V	87.3	Confident	89	Confident	101 Å²	101	103 Å²	103	61%	0.612	53%	0.527	S	S	*	.			trans	-116.1	102.8	179.4	-176	0	0	0	0	108.1	V183 V187	V183-V185 WeakPolarHBondContact CG1-O 3.48Å; V185-V187 HydrophobicContact CG1-CG2 3.94Å; V185-V187 PolarHBondContact O-N 2.99Å
186	S	86.3	Confident	89.2	Confident	117 Å²	117	103.2 Å²	103.2	82%	0.818	52%	0.524	S	S	*	.			trans	-83.2	101.6	169.1	47.8	0	0	0	0	109.2
187	V	87.6	Confident	89.6	Confident	98 Å²	98	99 Å²	99	59%	0.594	51%	0.513	S	S	*	.	P	Polyproline II helix	trans	-85	136.5	167.7	-175.2	0	0	0	0	107.7	V185	V185-V187 HydrophobicContact CG1-CG2 3.94Å; V185-V187 PolarHBondContact O-N 2.99Å
188	P	89.8	Confident	89.9	Confident	60 Å²	60	101.5 Å²	101.5	39%	0.39	53%	0.534	S	S	.	.	P	Polyproline II helix	trans	-57.3	155.3	175	-19.3	30	0	0	0	111.2	D192 R193 L196	P188-D192 HydrophobicContact CB-CB 3.66Å; P188-R193 HydrophobicContact CB-CG 3.98Å; P188-R193 HydrophobicContact CG-CG 4.4Å; P188-L196 HydrophobicContact CB-CD1 4.49Å; P188-L196 HydrophobicContact CG-CD1 4.16Å
189	S	91	Very high	90	Very high	57 Å²	57	101.7 Å²	101.7	40%	0.399	53%	0.532	S	S	.	.	P	Polyproline II helix	trans	-58.3	159.3	173.2	72.4	0	0	0	0	110.6	E191 D192 R193	S189-E191 PolarHBondContact O-N 3.14Å; S189-D192 PolarHBondContact N-OD2 3.49Å; S189-D192 PolarHBondContact O-N 2.93Å; S189-D192 VanDerWaalsContact O-N 3.09Å; S189-D192 WeakPolarHBondContact OG-CB 3.39Å; S189-D192 PolarHBondContact OG-N 3.43Å; S189-D192 PolarHBondContact OG-OD2 2.88Å; S189-R193 WeakPolarHBondContact O-CG 3.4Å; S189-R193 PolarHBondContact O-N 3.3Å
190	E	91.5	Very high	90.2	Very high	129 Å²	129	103.3 Å²	103.3	60%	0.603	55%	0.545	S	S	*	.	H	α-helix	trans	-58.1	-36.4	179.4	-170.2	61.9	-166.1	0	0	111.7	R193 V194	E190-R193 PolarHBondContact O-N 2.87Å; E190-R193 IonicContact OE2-NH1 3.9Å; E190-V194 VanDerWaalsContact O-CG2 3.31Å; E190-V194 WeakPolarHBondContact O-CG2 3.25Å; E190-V194 PolarHBondContact O-N 3.22Å
191	E	93.1	Very high	90.5	Very high	164 Å²	164	100.3 Å²	100.3	77%	0.766	54%	0.543	S	S	*	.	H	α-helix	trans	-64	-45.1	174.3	-62.7	-178.4	-180	0	0	112.2	S189 R193 V194 Y195	S189-E191 PolarHBondContact O-N 3.14Å; E191-R193 VanDerWaalsContact C-N 3.32Å; E191-R193 PolarHBondContact O-N 3.46Å; E191-V194 PolarHBondContact O-N 2.72Å; E191-Y195 WeakPolarHBondContact O-CB 3.5Å; E191-Y195 PolarHBondContact O-N 3.05Å
192	D	93.1	Very high	90.8	Very high	83 Å²	83	102.1 Å²	102.1	44%	0.444	55%	0.546	S	S	.	.	H	α-helix	trans	-65.7	-36.6	177.5	-66.9	-43.1	0	0	0	111.9	P188 S189 Y195 L196	P188-D192 HydrophobicContact CB-CB 3.66Å; S189-D192 PolarHBondContact N-OD2 3.49Å; S189-D192 PolarHBondContact O-N 2.93Å; S189-D192 VanDerWaalsContact O-N 3.09Å; S189-D192 WeakPolarHBondContact OG-CB 3.39Å; S189-D192 PolarHBondContact OG-N 3.43Å; S189-D192 PolarHBondContact OG-OD2 2.88Å; D192-Y195 PolarHBondContact O-N 2.97Å; D192-L196 WeakPolarHBondContact O-CB 3.32Å; D192-L196 VanDerWaalsContact O-CG 3.29Å; D192-L196 WeakPolarHBondContact O-CG 3.46Å; D192-L196 PolarHBondContact O-N 2.99Å
193	R	92.5	Very high	91	Very high	105 Å²	105	102.3 Å²	102.3	40%	0.396	55%	0.545	S	S	.	.	H	α-helix	trans	-63.5	-49.5	175.6	-74	-174.2	62.8	-162.6	-6.3	110.9	P188 S189 E190 E191 Y195 L196 E197	P188-R193 HydrophobicContact CB-CG 3.98Å; P188-R193 HydrophobicContact CG-CG 4.4Å; S189-R193 WeakPolarHBondContact O-CG 3.4Å; S189-R193 PolarHBondContact O-N 3.3Å; E190-R193 PolarHBondContact O-N 2.87Å; E190-R193 IonicContact OE2-NH1 3.9Å; E191-R193 VanDerWaalsContact C-N 3.32Å; E191-R193 PolarHBondContact O-N 3.46Å; R193-Y195 VanDerWaalsContact C-N 3.29Å; R193-Y195 PolarHBondContact O-N 2.93Å; R193-L196 PolarHBondContact O-N 3.33Å; R193-E197 WeakPolarHBondContact O-CB 3.44Å; R193-E197 WeakPolarHBondContact O-CG 3.41Å; R193-E197 PolarHBondContact O-N 2.88Å
194	V	94.4	Very high	91.3	Very high	87 Å²	87	98.6 Å²	98.6	53%	0.527	53%	0.528	S	S	.	.	H	α-helix	trans	-58.8	-42.8	176.1	171.7	0	0	0	0	110.7	E190 E191 E197 A198	E190-V194 VanDerWaalsContact O-CG2 3.31Å; E190-V194 WeakPolarHBondContact O-CG2 3.25Å; E190-V194 PolarHBondContact O-N 3.22Å; E191-V194 PolarHBondContact O-N 2.72Å; V194-E197 PolarHBondContact O-N 3.37Å; V194-A198 WeakPolarHBondContact O-CB 3.42Å; V194-A198 PolarHBondContact O-N 3.26Å
195	Y	94	Very high	91.3	Very high	161 Å²	161	97.9 Å²	97.9	63%	0.631	53%	0.527	S	S	*	.	H	α-helix	trans	-62.2	-46	175.6	175.1	-97.4	0	0	0	112.7	E191 D192 R193 A198 Y199	E191-Y195 WeakPolarHBondContact O-CB 3.5Å; E191-Y195 PolarHBondContact O-N 3.05Å; D192-Y195 PolarHBondContact O-N 2.97Å; R193-Y195 VanDerWaalsContact C-N 3.29Å; R193-Y195 PolarHBondContact O-N 2.93Å; Y195-A198 PolarHBondContact O-N 2.79Å; Y195-Y199 WeakPolarHBondContact O-CB 3.44Å; Y195-Y199 PolarHBondContact O-N 3.37Å
196	L	93.3	Very high	90.9	Very high	80 Å²	80	101.1 Å²	101.1	42%	0.419	53%	0.532	S	S	.	.	H	α-helix	trans	-63.7	-42.2	178.2	-79.6	168.3	0	0	0	111.9	P188 D192 R193 Y199 L200	P188-L196 HydrophobicContact CB-CD1 4.49Å; P188-L196 HydrophobicContact CG-CD1 4.16Å; D192-L196 WeakPolarHBondContact O-CB 3.32Å; D192-L196 VanDerWaalsContact O-CG 3.29Å; D192-L196 WeakPolarHBondContact O-CG 3.46Å; D192-L196 PolarHBondContact O-N 2.99Å; R193-L196 PolarHBondContact O-N 3.33Å; L196-Y199 PolarHBondContact O-N 3.28Å; L196-L200 WeakPolarHBondContact O-CB 3.19Å; L196-L200 WeakPolarHBondContact O-CG 3.46Å; L196-L200 PolarHBondContact O-N 3.28Å
197	E	94	Very high	90.3	Very high	118 Å²	118	104.6 Å²	104.6	55%	0.551	53%	0.528	S	S	*	.	H	α-helix	trans	-61.2	-45.5	174.9	-74.8	179.8	-170.5	0	0	111.1	R193 V194 Y199 L200 A201	R193-E197 WeakPolarHBondContact O-CB 3.44Å; R193-E197 WeakPolarHBondContact O-CG 3.41Å; R193-E197 PolarHBondContact O-N 2.88Å; V194-E197 PolarHBondContact O-N 3.37Å; E197-Y199 PolarHBondContact O-N 3.28Å; E197-L200 PolarHBondContact O-N 3.28Å; E197-A201 WeakPolarHBondContact O-CB 3.47Å; E197-A201 PolarHBondContact O-N 2.83Å
198	A	94.1	Very high	89.3	Confident	60 Å²	60	107.4 Å²	107.4	50%	0.496	53%	0.532	S	S	.	.	H	α-helix	trans	-62	-41.2	175	0	0	0	0	0	112.4	V194 Y195 A201 K202	V194-A198 WeakPolarHBondContact O-CB 3.42Å; V194-A198 PolarHBondContact O-N 3.26Å; Y195-A198 PolarHBondContact O-N 2.79Å; A198-A201 PolarHBondContact O-N 2.9Å; A198-K202 WeakPolarHBondContact O-CB 3.39Å; A198-K202 PolarHBondContact O-N 3.35Å
199	Y	92.8	Very high	88	Confident	122 Å²	122	111 Å²	111	48%	0.478	55%	0.552	S	S	.	*	H	α-helix	trans	-63.8	-45	176.4	176.8	-101.2	0	0	0	112.1	Y195 L196 E197 K202 K203	Y195-Y199 WeakPolarHBondContact O-CB 3.44Å; Y195-Y199 PolarHBondContact O-N 3.37Å; L196-Y199 PolarHBondContact O-N 3.28Å; E197-Y199 PolarHBondContact O-N 3.28Å; Y199-K202 PolarHBondContact O-N 2.98Å; Y199-K203 PolarHBondContact O-N 3.11Å
200	L	93.7	Very high	86.5	Confident	105 Å²	105	113.1 Å²	113.1	55%	0.55	56%	0.562	S	S	.	*	H	α-helix	trans	-65.4	-39.6	176.8	-71.3	175.9	0	0	0	111.7	L196 E197 K202 K203 A204	L196-L200 WeakPolarHBondContact O-CB 3.19Å; L196-L200 WeakPolarHBondContact O-CG 3.46Å; L196-L200 PolarHBondContact O-N 3.28Å; E197-L200 PolarHBondContact O-N 3.28Å; L200-K202 VanDerWaalsContact C-N 3.34Å; L200-K202 PolarHBondContact O-N 3.39Å; L200-K203 PolarHBondContact O-N 3.4Å; L200-A204 VanDerWaalsContact O-CB 3.31Å; L200-A204 WeakPolarHBondContact O-CB 3.33Å; L200-A204 PolarHBondContact O-N 3.05Å
201	A	92.3	Very high	85	Confident	60 Å²	60	116.1 Å²	116.1	50%	0.496	58%	0.576	S	S	.	*	H	α-helix	trans	-61	-41.5	173.2	0	0	0	0	0	112	E197 A198 A204 S205	E197-A201 WeakPolarHBondContact O-CB 3.47Å; E197-A201 PolarHBondContact O-N 2.83Å; A198-A201 PolarHBondContact O-N 2.9Å; A201-A204 PolarHBondContact O-N 2.93Å; A201-S205 WeakPolarHBondContact O-CB 3.45Å; A201-S205 PolarHBondContact O-N 3.21Å; A201-S205 PolarHBondContact O-OG 3.47Å; A201-S205 VanDerWaalsContact O-OG 3.05Å
202	K	92.3	Very high	83.4	Confident	137 Å²	137	113.4 Å²	113.4	60%	0.596	56%	0.564	S	S	*	*	H	α-helix	trans	-65.5	-36.8	174.2	-169	175.2	-175.9	174.6	0	112.5	A198 Y199 L200 S205 K206	A198-K202 WeakPolarHBondContact O-CB 3.39Å; A198-K202 PolarHBondContact O-N 3.35Å; Y199-K202 PolarHBondContact O-N 2.98Å; L200-K202 VanDerWaalsContact C-N 3.34Å; L200-K202 PolarHBondContact O-N 3.39Å; K202-S205 WeakPolarHBondContact CA-OG 3.31Å; K202-S205 PolarHBondContact O-OG 3.3Å; K202-K206 WeakPolarHBondContact O-CG 3.49Å; K202-K206 PolarHBondContact O-N 2.93Å
203	K	91.3	Very high	82	Confident	94 Å²	94	113.2 Å²	113.2	41%	0.409	57%	0.574	S	S	.	*	H	α-helix	trans	-71.7	-38.2	175.6	-169.2	175.9	-179.2	178.1	0	112	Y199 L200 R207	Y199-K203 PolarHBondContact O-N 3.11Å; L200-K203 PolarHBondContact O-N 3.4Å; K203-R207 PolarHBondContact O-N 2.96Å
204	A	89.1	Confident	80.8	Confident	45 Å²	45	114 Å²	114	37%	0.372	59%	0.593	S	S	.	*	H	α-helix	trans	-68.8	-43	178.1	0	0	0	0	0	111.9	L200 A201 K206 R207 K208	L200-A204 VanDerWaalsContact O-CB 3.31Å; L200-A204 WeakPolarHBondContact O-CB 3.33Å; L200-A204 PolarHBondContact O-N 3.05Å; A201-A204 PolarHBondContact O-N 2.93Å; A204-K206 VanDerWaalsContact C-N 3.31Å; A204-K206 PolarHBondContact O-N 2.84Å; A204-R207 PolarHBondContact O-N 3.39Å; A204-R207 VanDerWaalsContact O-N 3.09Å; A204-K208 WeakPolarHBondContact O-CG 3.48Å; A204-K208 PolarHBondContact O-N 2.81Å
205	S	83	Confident	79.9	Confident	73 Å²	73	112.9 Å²	112.9	51%	0.51	59%	0.586	S	S	.	*	H	α-helix	trans	-61.6	-35.2	175.8	54.7	0	0	0	0	113.1	A201 K202 R207	A201-S205 WeakPolarHBondContact O-CB 3.45Å; A201-S205 PolarHBondContact O-N 3.21Å; A201-S205 PolarHBondContact O-OG 3.47Å; A201-S205 VanDerWaalsContact O-OG 3.05Å; K202-S205 WeakPolarHBondContact CA-OG 3.31Å; K202-S205 PolarHBondContact O-OG 3.3Å; S205-R207 VanDerWaalsContact C-N 3.35Å
206	K	79.9	Confident	79.4	Confident	168 Å²	168	111.8 Å²	111.8	73%	0.73	59%	0.587	S	S	*	*	H	α-helix	trans	-67.6	-30.6	172.4	-73.4	-176.6	178	-171.1	0	114	K202 A204	K202-K206 WeakPolarHBondContact O-CG 3.49Å; K202-K206 PolarHBondContact O-N 2.93Å; A204-K206 VanDerWaalsContact C-N 3.31Å; A204-K206 PolarHBondContact O-N 2.84Å
207	R	73.2	Confident	79.2	Confident	191 Å²	191	111 Å²	111	72%	0.721	58%	0.581	S	S	*	*	H	α-helix	trans	-89.9	-29.2	-178.4	-76.7	-175.9	174.4	-175.1	-4	113.3	K203 A204 S205 V209	K203-R207 PolarHBondContact O-N 2.96Å; A204-R207 PolarHBondContact O-N 3.39Å; A204-R207 VanDerWaalsContact O-N 3.09Å; S205-R207 VanDerWaalsContact C-N 3.35Å; R207-V209 PolarHBondContact O-N 3.09Å
208	K	66.3	Low	79.1	Confident	157 Å²	157	110.9 Å²	110.9	68%	0.683	58%	0.578	S	S	*	*	S	Bend	trans	-61.3	110	174.9	-81.3	-174.7	177	-175	0	107.5	A204 V210	A204-K208 WeakPolarHBondContact O-CG 3.48Å; A204-K208 PolarHBondContact O-N 2.81Å; K208-V210 VanDerWaalsContact C-N 3.29Å; K208-V210 PolarHBondContact O-N 2.99Å
209	V	62.8	Low	79	Confident	134 Å²	134	109.5 Å²	109.5	81%	0.812	57%	0.565	S	S	*	*			trans	-58	105.1	157.3	179.8	0	0	0	0	104	R207 E211	R207-V209 PolarHBondContact O-N 3.09Å; V209-E211 PolarHBondContact O-N 3.45Å
210	V	59.9	Low	79.1	Confident	102 Å²	102	106.2 Å²	106.2	62%	0.618	56%	0.558	S	S	*	*			trans	-58.3	108.4	-179.3	178.9	0	0	0	0	105.9	K208 E212	K208-V210 VanDerWaalsContact C-N 3.29Å; K208-V210 PolarHBondContact O-N 2.99Å; V210-E212 HydrophobicContact CB-CG 4.45Å; V210-E212 HydrophobicContact CG1-CG 3.99Å; V210-E212 PolarHBondContact O-N 2.96Å
211	E	60.4	Low	79.1	Confident	192 Å²	192	103.8 Å²	103.8	90%	0.897	55%	0.545	S	S	*	.			trans	-66.3	90.1	163.3	-72.2	-165.5	156.6	0	0	105.5	V209 A213	V209-E211 PolarHBondContact O-N 3.45Å; E211-A213 PolarHBondContact O-N 2.89Å
212	E	58.6	Low	79.2	Confident	107 Å²	107	105.5 Å²	105.5	50%	0.5	54%	0.543	S	S	.	.	P	Polyproline II helix	trans	-60.7	136.2	-176.9	-71.9	174.9	-140.1	0	0	109.5	V210 R314	V210-E212 HydrophobicContact CB-CG 4.45Å; V210-E212 HydrophobicContact CG1-CG 3.99Å; V210-E212 PolarHBondContact O-N 2.96Å; E212-R314 IonicContact OE1-CZ 3.88Å; E212-R314 IonicContact OE1-NH2 3.64Å; E212-R314 PolarHBondContact OE1-NH2 2.66Å; E212-R314 IonicContact OE2-CZ 3.79Å; E212-R314 IonicContact OE2-NE 3.63Å; E212-R314 PolarHBondContact OE2-NE 2.75Å; E212-R314 IonicContact OE2-NH1 2.79Å; E212-R314 IonicContact OE2-NH2 3.67Å; E212-R314 PolarHBondContact OE2-NH2 2.83Å
213	A	64.4	Low	79.1	Confident	80 Å²	80	100.3 Å²	100.3	66%	0.661	52%	0.521	S	S	*	.	P	Polyproline II helix	trans	-50.3	145.5	-175.5	0	0	0	0	0	112	E211 V215	E211-A213 PolarHBondContact O-N 2.89Å; A213-V215 PolarHBondContact O-N 2.69Å
214	P	67	Low	78.9	Confident	122 Å²	122	101.3 Å²	101.3	79%	0.792	54%	0.537	S	S	*	.	P	Polyproline II helix	trans	-57	130.5	175.1	24.6	-33.2	0	0	0	109.7	E216	P214-E216 PolarHBondContact O-N 3.33Å
215	V	75.9	Confident	78.9	Confident	63 Å²	63	103.3 Å²	103.3	38%	0.382	55%	0.545	S	S	.	.	P	Polyproline II helix	trans	-66.3	125.1	177.9	177.1	0	0	0	0	108.6	A213 E217 R314	A213-V215 PolarHBondContact O-N 2.69Å; V215-E217 PolarHBondContact O-N 3.3Å; V215-R314 HydrophobicContact CG2-CB 3.77Å; V215-R314 HydrophobicContact CG2-CG 4.12Å
216	E	83.1	Confident	79.1	Confident	138 Å²	138	102.2 Å²	102.2	65%	0.645	54%	0.536	S	S	*	.	P	Polyproline II helix	trans	-57.6	126.3	174	-68.3	-178	176.3	0	0	110.5	P214 K218	P214-E216 PolarHBondContact O-N 3.33Å; E216-K218 WeakPolarHBondContact OE2-CE 3.15Å; E216-K218 IonicContact OE2-NZ 3.6Å; E216-K218 PolarHBondContact OE2-NZ 3.18Å
217	E	89.3	Confident	79.6	Confident	64 Å²	64	100.7 Å²	100.7	30%	0.299	53%	0.527	S	S	.	.	P	Polyproline II helix	trans	-83.7	122.4	-178.9	-58.3	177.8	141.2	0	0	109.7	V215 M311 K339 W341 C348 Q351	V215-E217 PolarHBondContact O-N 3.3Å; E217-M311 CarbonylContact C-O 3.48Å; E217-M311 WeakPolarHBondContact CA-O 3.29Å; E217-K339 VanDerWaalsContact OE1-CD 3.31Å; E217-K339 WeakPolarHBondContact OE1-CD 3.09Å; E217-K339 WeakPolarHBondContact OE1-CE 3.31Å; E217-K339 IonicContact OE1-NZ 2.82Å; E217-K339 PolarHBondContact OE1-NZ 3.44Å; E217-W341 HydrophobicContact CB-CH2 4.19Å; E217-W341 HydrophobicContact CG-CH2 4.47Å; E217-C348 HydrophobicContact CB-CB 4.47Å; E217-C348 VanDerWaalsContact CD-CB 3.46Å; E217-C348 HydrophobicContact CG-CB 4.49Å; E217-C348 PolarHBondContact OE1-SG 2.89Å; E217-C348 VanDerWaalsContact OE1-SG 3.34Å; E217-C348 WeakPolarHBondContact OE2-CB 3.22Å; E217-Q351 VanDerWaalsContact OE1-CD 3.23Å; E217-Q351 PolarHBondContact OE1-NE2 2.67Å; E217-Q351 PolarHBondContact OE2-NE2 3.27Å
218	K	91.6	Very high	80.3	Confident	114 Å²	114	94.4 Å²	94.4	50%	0.496	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	141.4	-177.2	-65.9	-179.9	-177.4	168.3	0	109	E216 M311	E216-K218 WeakPolarHBondContact OE2-CE 3.15Å; E216-K218 IonicContact OE2-NZ 3.6Å; E216-K218 PolarHBondContact OE2-NZ 3.18Å; K218-M311 PolarHBondContact N-O 2.91Å; K218-M311 CarbonylContact O-C 3.6Å; K218-M311 WeakPolarHBondContact O-CA 3.43Å; K218-M311 WeakPolarHBondContact O-CB 3.32Å; K218-M311 PolarHBondContact O-N 3.32Å
219	S	92.9	Very high	81.4	Confident	31 Å²	31	96.4 Å²	96.4	22%	0.217	51%	0.512	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	142.5	164.8	64.6	0	0	0	0	109.9	R308 S309 G346	S219-R308 PolarHBondContact OG-NE 2.85Å; S219-R308 PolarHBondContact OG-NH2 3.48Å; S219-S309 CarbonylContact C-O 3.58Å; S219-S309 VanDerWaalsContact CA-O 3.25Å; S219-S309 WeakPolarHBondContact CA-O 3.46Å; S219-G346 WeakPolarHBondContact CB-O 3.05Å; S219-G346 VanDerWaalsContact OG-C 3.32Å; S219-G346 WeakPolarHBondContact OG-CA 3.38Å; S219-G346 PolarHBondContact OG-O 3.21Å
220	T	94.6	Very high	82.6	Confident	53 Å²	53	95.2 Å²	95.2	33%	0.325	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	118.4	177	57.5	0	0	0	0	108.2	H222 R308 S309 M311	T220-H222 PolarHBondContact O-CD2 3.15Å; T220-H222 PolarHBondContact OG1-NE2 3.45Å; T220-R308 WeakPolarHBondContact O-CA 3.46Å; T220-R308 WeakPolarHBondContact O-CG 3.36Å; T220-S309 PolarHBondContact N-O 3.32Å; T220-S309 PolarHBondContact O-N 2.99Å; T220-S309 PolarHBondContact OG1-OG 2.83Å; T220-M311 HydrophobicContact CG2-CE 3.55Å
221	L	94	Very high	84.1	Confident	54 Å²	54	92.7 Å²	92.7	28%	0.283	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	126.9	169.7	-173.5	74.2	0	0	0	108.1	P226 F234 I307 R308	L221-P226 HydrophobicContact CD2-CB 3.86Å; L221-P226 HydrophobicContact CD2-CG 4.2Å; L221-F234 HydrophobicContact CD1-CE1 4.3Å; L221-I307 HydrophobicContact CD1-CG2 4.43Å; L221-R308 HydrophobicContact CD1-CB 4.4Å; L221-R308 HydrophobicContact CD1-CG 4.48Å
222	H	92.8	Very high	85.5	Confident	97 Å²	97	86.5 Å²	86.5	45%	0.449	46%	0.461	S	S	.	.			trans	-98.6	-19	-178.5	-68.8	-83.7	0	0	0	112.5	T220 L306 I307 S309	T220-H222 PolarHBondContact O-CD2 3.15Å; T220-H222 PolarHBondContact OG1-NE2 3.45Å; H222-L306 HydrophobicContact CB-CG 4.33Å; H222-L306 WeakPolarHBondContact CB-O 3.39Å; H222-L306 VanDerWaalsContact CD2-CD2 3.41Å; H222-L306 WeakPolarHBondContact CD2-CD2 3.24Å; H222-I307 PolarHBondContact N-O 3.1Å; H222-S309 PolarHBondContact NE2-OG 2.88Å
223	I	90.5	Very high	87	Confident	27 Å²	27	83.2 Å²	83.2	14%	0.138	45%	0.447	C	S	.	.	S	Bend	trans	-79.5	140.7	174.5	-66.1	-179	0	0	0	109.5	T225 I307	I223-T225 VanDerWaalsContact C-N 3.31Å; I223-T225 WeakPolarHBondContact CG2-O 3.35Å; I223-T225 PolarHBondContact O-N 2.86Å; I223-I307 HydrophobicContact CD1-CB 4.04Å; I223-I307 HydrophobicContact CD1-CG1 3.73Å; I223-I307 HydrophobicContact CD1-CG2 4.02Å
224	P	88.6	Confident	88.2	Confident	115 Å²	115	81 Å²	81	75%	0.747	42%	0.422	S	S	*	.	S	Bend	trans	-58.8	-38.2	-178.4	22	-35.4	0	0	0	113.7
225	T	88.3	Confident	89.3	Confident	88 Å²	88	75.8 Å²	75.8	54%	0.54	39%	0.388	S	S	.	.			trans	-130.3	131.3	178.4	58	0	0	0	0	110.6	I223 Y227	I223-T225 VanDerWaalsContact C-N 3.31Å; I223-T225 WeakPolarHBondContact CG2-O 3.35Å; I223-T225 PolarHBondContact O-N 2.86Å; T225-Y227 PolarHBondContact O-N 3.38Å; T225-Y227 PolarHBondContact OG1-O 3.03Å
226	P	87.3	Confident	90	Very high	50 Å²	50	76 Å²	76	33%	0.325	38%	0.384	S	S	.	.	S	Bend	trans	-72.4	-20.7	176.4	26.8	-31.5	0	0	0	112.9	L221	L221-P226 HydrophobicContact CD2-CB 3.86Å; L221-P226 HydrophobicContact CD2-CG 4.2Å
227	Y	90.5	Very high	90.3	Very high	136 Å²	136	69.8 Å²	69.8	53%	0.533	36%	0.356	S	S	.	.	B	Isolated β-bridge	trans	-107.3	145.2	-179.2	-56.1	-72.1	0	0	0	111.2	T225 G231 R232	T225-Y227 PolarHBondContact O-N 3.38Å; T225-Y227 PolarHBondContact OG1-O 3.03Å; Y227-G231 WeakPolarHBondContact CD1-O 3.49Å; Y227-R232 CarbonylContact C-O 3.55Å; Y227-R232 VanDerWaalsContact CA-O 3.3Å; Y227-R232 WeakPolarHBondContact CA-O 3.47Å
228	D	87.8	Confident	90.3	Very high	58 Å²	58	67.7 Å²	67.7	31%	0.31	35%	0.348	S	S	.	.			trans	-79.4	-178.6	168.4	77.6	-1.6	0	0	0	111.7	Q230 G231 R232	D228-Q230 PolarHBondContact O-N 3.46Å; D228-Q230 VanDerWaalsContact O-N 3.15Å; D228-Q230 WeakPolarHBondContact OD1-CA 3.49Å; D228-Q230 WeakPolarHBondContact OD1-CB 3.26Å; D228-Q230 PolarHBondContact OD1-N 3.4Å; D228-G231 PolarHBondContact O-N 3.48Å; D228-G231 PolarHBondContact OD1-N 2.99Å; D228-R232 PolarHBondContact N-O 3.13Å; D228-R232 WeakPolarHBondContact OD1-CB 3.4Å; D228-R232 PolarHBondContact OD1-N 3.37Å; D228-R232 IonicContact OD1-NE 3.25Å; D228-R232 IonicContact OD2-CZ 3.59Å; D228-R232 VanDerWaalsContact OD2-CZ 3.23Å; D228-R232 IonicContact OD2-NE 3.97Å; D228-R232 PolarHBondContact OD2-NE 2.82Å; D228-R232 IonicContact OD2-NH2 2.92Å; D228-R232 PolarHBondContact OD2-NH2 3.28Å
229	Y	88.6	Confident	90.1	Very high	199 Å²	199	68 Å²	68	78%	0.78	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-14.8	179.2	70	-85.4	0	0	0	114.3
230	Q	89.5	Confident	89.8	Confident	109 Å²	109	71.6 Å²	71.6	51%	0.509	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	3.7	175.2	-58.6	-167.8	-19.1	0	0	112.3	D228 R232	D228-Q230 PolarHBondContact O-N 3.46Å; D228-Q230 VanDerWaalsContact O-N 3.15Å; D228-Q230 WeakPolarHBondContact OD1-CA 3.49Å; D228-Q230 WeakPolarHBondContact OD1-CB 3.26Å; D228-Q230 PolarHBondContact OD1-N 3.4Å; Q230-R232 VanDerWaalsContact C-N 3.26Å; Q230-R232 HydrophobicContact CB-CG 4.12Å; Q230-R232 PolarHBondContact O-N 2.86Å; Q230-R232 VanDerWaalsContact OE1-NH2 3.16Å
231	G	89.4	Confident	89.4	Confident	50 Å²	50	70 Å²	70	52%	0.515	36%	0.358	S	S	.	.	S	Bend	trans	75.4	12.5	-175.5	0	0	0	0	0	114	Y227 D228	Y227-G231 WeakPolarHBondContact CD1-O 3.49Å; D228-G231 PolarHBondContact O-N 3.48Å; D228-G231 PolarHBondContact OD1-N 2.99Å
232	R	90.1	Very high	88.9	Confident	61 Å²	61	72.2 Å²	72.2	23%	0.23	38%	0.375	C	S	.	.			trans	-85.3	145.3	176.5	-55.3	175.5	-60.9	-164.5	-6.4	109.7	Y227 D228 Q230 H236	Y227-R232 CarbonylContact C-O 3.55Å; Y227-R232 VanDerWaalsContact CA-O 3.3Å; Y227-R232 WeakPolarHBondContact CA-O 3.47Å; D228-R232 PolarHBondContact N-O 3.13Å; D228-R232 WeakPolarHBondContact OD1-CB 3.4Å; D228-R232 PolarHBondContact OD1-N 3.37Å; D228-R232 IonicContact OD1-NE 3.25Å; D228-R232 IonicContact OD2-CZ 3.59Å; D228-R232 VanDerWaalsContact OD2-CZ 3.23Å; D228-R232 IonicContact OD2-NE 3.97Å; D228-R232 PolarHBondContact OD2-NE 2.82Å; D228-R232 IonicContact OD2-NH2 2.92Å; D228-R232 PolarHBondContact OD2-NH2 3.28Å; Q230-R232 VanDerWaalsContact C-N 3.26Å; Q230-R232 HydrophobicContact CB-CG 4.12Å; Q230-R232 PolarHBondContact O-N 2.86Å; Q230-R232 VanDerWaalsContact OE1-NH2 3.16Å; R232-H236 HydrophobicContact CB-CB 4.22Å; R232-H236 PolarHBondContact NH1-CE1 3.4Å
233	N	89.9	Confident	88.4	Confident	38 Å²	38	75.7 Å²	75.7	20%	0.203	40%	0.397	C	S	.	.	B	Isolated β-bridge	trans	-73.2	170.8	172.5	59.4	32.8	0	0	0	111.7	L235 H236 E344	N233-L235 PolarHBondContact O-N 2.76Å; N233-L235 WeakPolarHBondContact OD1-CB 3.25Å; N233-L235 PolarHBondContact OD1-N 3.28Å; N233-L235 VanDerWaalsContact OD1-N 3.11Å; N233-H236 PolarHBondContact O-N 3.07Å; N233-H236 PolarHBondContact OD1-N 3.33Å; N233-H236 VanDerWaalsContact OD1-N 3.08Å; N233-E344 PolarHBondContact ND2-OE1 2.85Å; N233-E344 PolarHBondContact ND2-OE2 2.85Å
234	F	90.3	Very high	88.2	Confident	33 Å²	33	76 Å²	76	15%	0.145	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-11.7	174.7	55.2	-98.6	0	0	0	114.1	L221 H236 L285 L297 I307 T343	L221-F234 HydrophobicContact CD1-CE1 4.3Å; F234-H236 VanDerWaalsContact C-N 3.3Å; F234-L285 HydrophobicContact CD2-CD1 3.91Å; F234-L297 HydrophobicContact CD2-CD2 3.99Å; F234-L297 HydrophobicContact CE2-CD2 3.39Å; F234-L297 HydrophobicContact CZ-CD2 4.2Å; F234-I307 HydrophobicContact CB-CD1 4.27Å; F234-I307 HydrophobicContact CD1-CG2 3.76Å; F234-I307 HydrophobicContact CD2-CD1 4.04Å; F234-I307 HydrophobicContact CD2-CG2 3.76Å; F234-I307 HydrophobicContact CE1-CG2 3.81Å; F234-I307 HydrophobicContact CE2-CG2 3.84Å; F234-I307 HydrophobicContact CG-CD1 4.28Å; F234-I307 HydrophobicContact CG-CG2 3.73Å; F234-I307 HydrophobicContact CZ-CG2 3.85Å; F234-T343 WeakPolarHBondContact CZ-O 3.37Å
235	L	90.8	Very high	88.2	Confident	13 Å²	13	75.4 Å²	75.4	7%	0.068	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-27.6	175	-54.9	-171.6	0	0	0	112	N233 A237 F279 H284 L285 T343 E344	N233-L235 PolarHBondContact O-N 2.76Å; N233-L235 WeakPolarHBondContact OD1-CB 3.25Å; N233-L235 PolarHBondContact OD1-N 3.28Å; N233-L235 VanDerWaalsContact OD1-N 3.11Å; L235-A237 PolarHBondContact O-N 3.07Å; L235-F279 HydrophobicContact CB-CE2 4.41Å; L235-F279 HydrophobicContact CB-CZ 4.22Å; L235-F279 HydrophobicContact CD2-CE2 3.92Å; L235-H284 PolarHBondContact O-CE1 2.87Å; L235-H284 PolarHBondContact O-NE2 3.09Å; L235-L285 HydrophobicContact CD2-CD1 3.84Å; L235-T343 VanDerWaalsContact CD1-OG1 3.27Å; L235-T343 WeakPolarHBondContact CD1-OG1 3.38Å; L235-E344 HydrophobicContact CD1-CG 3.35Å; L235-E344 VanDerWaalsContact CD1-OE1 3.27Å; L235-E344 WeakPolarHBondContact CD1-OE1 3.46Å; L235-E344 HydrophobicContact CG-CG 3.8Å
236	H	90.5	Very high	88.3	Confident	68 Å²	68	71.3 Å²	71.3	32%	0.315	37%	0.366	S	S	.	.	S	Bend	trans	-65.9	127.9	179.7	-178.1	-86.7	0	0	0	111.3	R232 N233 F234 H239 R247	R232-H236 HydrophobicContact CB-CB 4.22Å; R232-H236 PolarHBondContact NH1-CE1 3.4Å; N233-H236 PolarHBondContact O-N 3.07Å; N233-H236 PolarHBondContact OD1-N 3.33Å; N233-H236 VanDerWaalsContact OD1-N 3.08Å; F234-H236 VanDerWaalsContact C-N 3.3Å; H236-H239 AromaticContact CE1-CD2 3.74Å; H236-H239 AromaticContact CE1-NE2 3.34Å; H236-H239 PolarHBondContact CE1-NE2 2.78Å; H236-H239 VanDerWaalsContact CE1-NE2 3.34Å; H236-H239 AromaticContact NE2-NE2 3.98Å; H236-R247 PolarHBondContact CE1-NH2 2.87Å; H236-R247 PolarHBondContact NE2-NH2 2.9Å
237	A	89.6	Confident	88.3	Confident	7 Å²	7	73.9 Å²	73.9	6%	0.058	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-62.3	126.7	-176.3	0	0	0	0	0	112	L235 L246 T282	L235-A237 PolarHBondContact O-N 3.07Å; A237-L246 HydrophobicContact CB-CD1 4.5Å; A237-T282 HydrophobicContact CB-CG2 3.64Å
238	P	89.4	Confident	88.1	Confident	20 Å²	20	69.1 Å²	69.1	13%	0.13	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-63.8	139.3	176.6	25.4	-33.7	0	0	0	110.9	D240 I241 L246 H284	P238-D240 VanDerWaalsContact CB-OD1 3.29Å; P238-D240 WeakPolarHBondContact CB-OD1 3.41Å; P238-I241 HydrophobicContact CB-CD1 4.21Å; P238-I241 HydrophobicContact CB-CG1 4.32Å; P238-I241 HydrophobicContact CG-CD1 3.52Å; P238-I241 HydrophobicContact CG-CG1 4.14Å; P238-L246 HydrophobicContact CG-CD1 3.84Å; P238-H284 HydrophobicContact CG-CB 4.17Å
239	H	86	Confident	88.1	Confident	120 Å²	120	72.7 Å²	72.7	56%	0.556	38%	0.381	S	S	*	.	S	Bend	trans	-98.7	-13	176.5	-65.4	-99.5	0	0	0	112.7	H236 I241 R247	H236-H239 AromaticContact CE1-CD2 3.74Å; H236-H239 AromaticContact CE1-NE2 3.34Å; H236-H239 PolarHBondContact CE1-NE2 2.78Å; H236-H239 VanDerWaalsContact CE1-NE2 3.34Å; H236-H239 AromaticContact NE2-NE2 3.98Å; H239-I241 VanDerWaalsContact C-N 3.31Å; H239-I241 PolarHBondContact O-N 2.81Å; H239-R247 PolarHBondContact CE1-NH1 2.78Å; H239-R247 PolarHBondContact CE1-NH2 2.76Å; H239-R247 VanDerWaalsContact CE1-NH2 3.26Å; H239-R247 PolarHBondContact ND1-NH1 2.79Å; H239-R247 VanDerWaalsContact NE2-CZ 3.31Å; H239-R247 PolarHBondContact NE2-NH1 2.65Å; H239-R247 VanDerWaalsContact NE2-NH1 3.14Å; H239-R247 PolarHBondContact NE2-NH2 3.04Å
240	D	86.3	Confident	88	Confident	107 Å²	107	69 Å²	69	57%	0.572	38%	0.375	S	S	*	.			trans	-90.3	11.2	-170.7	57.6	-39.8	0	0	0	113.4	P238 K302	P238-D240 VanDerWaalsContact CB-OD1 3.29Å; P238-D240 WeakPolarHBondContact CB-OD1 3.41Å; D240-K302 WeakPolarHBondContact OD1-CE 3.31Å; D240-K302 IonicContact OD1-NZ 3.81Å; D240-K302 PolarHBondContact OD1-NZ 3.41Å; D240-K302 WeakPolarHBondContact OD2-CE 3.48Å; D240-K302 IonicContact OD2-NZ 3.85Å; D240-K302 PolarHBondContact OD2-NZ 3.34Å
241	I	88.1	Confident	88	Confident	20 Å²	20	67.3 Å²	67.3	10%	0.103	37%	0.373	C	S	.	.			trans	-78.9	124.2	177.8	-62	164.4	0	0	0	109	P238 H239 V244 L246 Y301	P238-I241 HydrophobicContact CB-CD1 4.21Å; P238-I241 HydrophobicContact CB-CG1 4.32Å; P238-I241 HydrophobicContact CG-CD1 3.52Å; P238-I241 HydrophobicContact CG-CG1 4.14Å; H239-I241 VanDerWaalsContact C-N 3.31Å; H239-I241 PolarHBondContact O-N 2.81Å; I241-V244 HydrophobicContact CG2-CB 4.17Å; I241-L246 HydrophobicContact CD1-CD1 3.4Å; I241-L246 HydrophobicContact CD1-CD2 4.25Å; I241-L246 HydrophobicContact CD1-CG 3.89Å; I241-Y301 HydrophobicContact CD1-CD1 3.55Å; I241-Y301 HydrophobicContact CD1-CD2 3.52Å; I241-Y301 HydrophobicContact CD1-CE1 3.89Å; I241-Y301 HydrophobicContact CD1-CE2 3.86Å; I241-Y301 HydrophobicContact CD1-CG 3.36Å; I241-Y301 HydrophobicContact CG1-CD1 4Å; I241-Y301 HydrophobicContact CG1-CG 4.02Å; I241-Y301 HydrophobicContact CG2-CD1 3.91Å; I241-Y301 HydrophobicContact CG2-CE1 3.96Å
242	P	83.1	Confident	88	Confident	100 Å²	100	66 Å²	66	65%	0.649	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	139.1	179.3	27.4	-33.8	0	0	0	110.9	V244	P242-V244 PolarHBondContact O-N 3.29Å; P242-V244 VanDerWaalsContact O-N 3.11Å
243	N	82.2	Confident	87.9	Confident	171 Å²	171	72 Å²	72	91%	0.914	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.6	5.2	170.7	-52.8	-29.7	0	0	0	117.1
244	V	85.4	Confident	88	Confident	34 Å²	34	76.7 Å²	76.7	21%	0.206	40%	0.401	C	S	.	.			trans	-136.4	125	-177.2	-176.1	0	0	0	0	110.1	I241 P242 L246 H543 E544	I241-V244 HydrophobicContact CG2-CB 4.17Å; P242-V244 PolarHBondContact O-N 3.29Å; P242-V244 VanDerWaalsContact O-N 3.11Å; V244-L246 HydrophobicContact CG1-CD2 3.96Å; V244-H543 HydrophobicContact CG1-CB 3.7Å; V244-E544 HydrophobicContact CG1-CG 4Å; V244-E544 HydrophobicContact CG2-CG 3.95Å
245	N	89.4	Confident	88.1	Confident	102 Å²	102	75.1 Å²	75.1	55%	0.545	40%	0.395	S	S	.	.			trans	-99.7	102.5	173.2	-178.9	11.6	0	0	0	110.2	R247 A248	N245-R247 PolarHBondContact O-N 2.93Å; N245-R247 VanDerWaalsContact O-N 3.12Å; N245-R247 PolarHBondContact OD1-N 3.29Å; N245-R247 VanDerWaalsContact OD1-N 3.16Å; N245-A248 HydrophobicContact CB-CB 4.39Å; N245-A248 VanDerWaalsContact O-CB 3.3Å; N245-A248 WeakPolarHBondContact O-CB 3.41Å; N245-A248 PolarHBondContact O-N 3.34Å; N245-A248 VanDerWaalsContact O-N 3.08Å
246	L	89.3	Confident	88.3	Confident	2 Å²	2	79.3 Å²	79.3	1%	0.01	41%	0.413	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-10.6	-179	-58.3	-177.7	0	0	0	114.9	A237 P238 I241 V244 T282 H284 Y301 H543	A237-L246 HydrophobicContact CB-CD1 4.5Å; P238-L246 HydrophobicContact CG-CD1 3.84Å; I241-L246 HydrophobicContact CD1-CD1 3.4Å; I241-L246 HydrophobicContact CD1-CD2 4.25Å; I241-L246 HydrophobicContact CD1-CG 3.89Å; V244-L246 HydrophobicContact CG1-CD2 3.96Å; L246-T282 HydrophobicContact CB-CG2 4.4Å; L246-T282 WeakPolarHBondContact O-CG2 3.46Å; L246-H284 HydrophobicContact CD1-CB 3.75Å; L246-Y301 HydrophobicContact CD1-CD2 4.46Å; L246-Y301 HydrophobicContact CD1-CE2 4.13Å; L246-Y301 HydrophobicContact CD2-CE2 3.88Å; L246-Y301 WeakPolarHBondContact CD2-OH 3.17Å; L246-H543 HydrophobicContact CD2-CB 4.19Å; L246-H543 PolarHBondContact O-CE1 2.92Å; L246-H543 PolarHBondContact O-NE2 2.67Å; L246-H543 VanDerWaalsContact O-NE2 3.08Å
247	R	87.2	Confident	88.5	Confident	104 Å²	104	78.2 Å²	78.2	39%	0.392	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-3.7	175.6	-69.8	-175.4	176.4	74.2	-5.5	113	H236 H239 N245 T249	H236-R247 PolarHBondContact CE1-NH2 2.87Å; H236-R247 PolarHBondContact NE2-NH2 2.9Å; H239-R247 PolarHBondContact CE1-NH1 2.78Å; H239-R247 PolarHBondContact CE1-NH2 2.76Å; H239-R247 VanDerWaalsContact CE1-NH2 3.26Å; H239-R247 PolarHBondContact ND1-NH1 2.79Å; H239-R247 VanDerWaalsContact NE2-CZ 3.31Å; H239-R247 PolarHBondContact NE2-NH1 2.65Å; H239-R247 VanDerWaalsContact NE2-NH1 3.14Å; H239-R247 PolarHBondContact NE2-NH2 3.04Å; N245-R247 PolarHBondContact O-N 2.93Å; N245-R247 VanDerWaalsContact O-N 3.12Å; N245-R247 PolarHBondContact OD1-N 3.29Å; N245-R247 VanDerWaalsContact OD1-N 3.16Å; R247-T249 PolarHBondContact O-N 3.39Å
248	A	88.1	Confident	88.7	Confident	35 Å²	35	78 Å²	78	29%	0.289	41%	0.407	S	S	.	.			trans	-61.8	132.3	177	0	0	0	0	0	109.5	N245 H543	N245-A248 HydrophobicContact CB-CB 4.39Å; N245-A248 VanDerWaalsContact O-CB 3.3Å; N245-A248 WeakPolarHBondContact O-CB 3.41Å; N245-A248 PolarHBondContact O-N 3.34Å; N245-A248 VanDerWaalsContact O-N 3.08Å; A248-H543 PolarHBondContact O-CE1 2.91Å
249	T	86.3	Confident	88.8	Confident	133 Å²	133	86 Å²	86	82%	0.816	44%	0.44	S	S	*	.			trans	-83.7	-25.5	172.3	49.2	0	0	0	0	111.5	R247	R247-T249 PolarHBondContact O-N 3.39Å
250	D	87.7	Confident	89.2	Confident	123 Å²	123	88.4 Å²	88.4	66%	0.658	44%	0.444	S	S	*	.	S	Bend	trans	-81.2	134.5	-178.2	-59.8	-46.4	0	0	0	110.4
251	P	88.4	Confident	89.5	Confident	72 Å²	72	86.7 Å²	86.7	47%	0.468	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-65.5	155.4	174.3	29.4	-34.6	0	0	0	110.4	P500	P251-P500 HydrophobicContact CB-CB 3.73Å
252	P	90.3	Very high	89.7	Confident	22 Å²	22	88.3 Å²	88.3	14%	0.143	44%	0.441	C	S	.	.	P	Polyproline II helix	trans	-56.2	141.5	173.1	23	-34.6	0	0	0	111.9	R254 P500 P542 T545	P252-R254 PolarHBondContact O-N 2.89Å; P252-R254 VanDerWaalsContact O-N 3.14Å; P252-P500 HydrophobicContact CG-CB 3.98Å; P252-P500 HydrophobicContact CG-CG 4.23Å; P252-P542 WeakPolarHBondContact CD-O 3.47Å; P252-T545 HydrophobicContact CB-CG2 3.73Å; P252-T545 HydrophobicContact CG-CG2 4.41Å
253	E	87.2	Confident	90.2	Very high	189 Å²	189	86 Å²	86	88%	0.883	42%	0.421	S	S	*	.	S	Bend	trans	-56.8	-34.9	-175	-62.5	-176.8	172.2	0	0	113.8	R503	E253-R503 PolarHBondContact O-NH2 3.24Å
254	R	92	Very high	90.8	Very high	135 Å²	135	80.2 Å²	80.2	51%	0.509	39%	0.388	S	S	.	.			trans	-152.1	118.9	-176.1	179.7	166.3	-171.6	177	1.2	111.3	P252 F256 T545	P252-R254 PolarHBondContact O-N 2.89Å; P252-R254 VanDerWaalsContact O-N 3.14Å; R254-F256 HydrophobicContact CG-CE1 4.18Å; R254-F256 HydrophobicContact CG-CE2 4.35Å; R254-F256 HydrophobicContact CG-CZ 3.96Å; R254-T545 WeakPolarHBondContact O-CB 3.38Å; R254-T545 WeakPolarHBondContact O-CG2 3.46Å
255	C	94	Very high	91.2	Very high	0 Å²	0	79.1 Å²	79.1	0%	0	38%	0.381	C	S	.	.			trans	-83.4	155.2	170.4	-64.8	0	0	0	0	111.4	D501 Y504 W540 T545	C255-D501 WeakPolarHBondContact CB-OD1 3.44Å; C255-D501 WeakPolarHBondContact CB-OD2 3.42Å; C255-D501 PolarHBondContact N-OD2 3.42Å; C255-D501 PolarHBondContact SG-OD1 2.84Å; C255-Y504 HydrophobicContact CB-CD2 4.28Å; C255-Y504 HydrophobicContact CB-CE2 4.38Å; C255-W540 HydrophobicContact CB-CZ2 4.01Å; C255-T545 CarbonylContact C-O 3.58Å; C255-T545 WeakPolarHBondContact CA-O 3.5Å; C255-T545 WeakPolarHBondContact CB-O 3.43Å
256	F	94.5	Very high	91.1	Very high	102 Å²	102	80 Å²	80	45%	0.447	38%	0.384	S	S	.	.			trans	-127.4	157.4	177.4	-59.6	-81	0	0	0	109.7	R254 W540 T545 S546	R254-F256 HydrophobicContact CG-CE1 4.18Å; R254-F256 HydrophobicContact CG-CE2 4.35Å; R254-F256 HydrophobicContact CG-CZ 3.96Å; F256-W540 WeakPolarHBondContact O-CH2 3.41Å; F256-W540 VanDerWaalsContact O-CZ2 3.3Å; F256-W540 WeakPolarHBondContact O-CZ2 3.38Å; F256-T545 PolarHBondContact N-O 2.77Å; F256-S546 WeakPolarHBondContact O-CA 3.44Å
257	L	93.8	Very high	90.9	Very high	44 Å²	44	83.9 Å²	83.9	23%	0.23	41%	0.411	C	S	.	.			trans	-75.1	134.9	177.4	-66.1	157.3	0	0	0	110.1	Y504 L516 L525	L257-Y504 HydrophobicContact CD1-CE1 4.47Å; L257-Y504 HydrophobicContact CD2-CD1 3.88Å; L257-Y504 HydrophobicContact CD2-CE1 3.94Å; L257-Y504 HydrophobicContact CD2-CG 4.19Å; L257-Y504 HydrophobicContact CG-CD1 4.48Å; L257-Y504 HydrophobicContact CG-CE1 4.06Å; L257-Y504 HydrophobicContact CG-CE2 4.38Å; L257-L516 HydrophobicContact CD2-CB 4.05Å; L257-L516 HydrophobicContact CD2-CD2 3.7Å; L257-L516 HydrophobicContact CD2-CG 4.5Å; L257-L525 HydrophobicContact CD1-CD1 4.11Å; L257-L525 HydrophobicContact CD2-CD1 4.04Å
258	P	94.8	Very high	91	Very high	3 Å²	3	79 Å²	79	2%	0.019	39%	0.393	C	S	.	.			trans	-64.4	143.3	170.7	17.7	-21	0	0	0	111.1	L516 W528 S546 V548 W560 D561	P258-L516 HydrophobicContact CG-CD2 4.17Å; P258-W528 HydrophobicContact CB-CH2 4.41Å; P258-W528 HydrophobicContact CB-CZ2 4.49Å; P258-W528 HydrophobicContact CG-CH2 3.91Å; P258-W528 HydrophobicContact CG-CZ2 4.16Å; P258-W528 VanDerWaalsContact O-CH2 3.24Å; P258-W528 WeakPolarHBondContact O-CH2 3.24Å; P258-S546 WeakPolarHBondContact CB-O 3.49Å; P258-V548 HydrophobicContact CG-CB 4.18Å; P258-V548 HydrophobicContact CG-CG2 3.87Å; P258-W560 HydrophobicContact CB-CB 3.73Å; P258-W560 HydrophobicContact CG-CB 4.33Å; P258-D561 VanDerWaalsContact CA-C 3.46Å; P258-D561 WeakPolarHBondContact CA-OXT 3.38Å
259	K	91.3	Very high	91.3	Very high	189 Å²	189	77.5 Å²	77.5	82%	0.822	38%	0.38	S	S	*	.			trans	-120.6	-27.8	-176.3	-66.9	-178.5	-178.1	176.1	0	113.6	D561	K259-D561 PolarHBondContact N-O 3.24Å
260	R	93.9	Very high	91.6	Very high	170 Å²	170	75.5 Å²	75.5	64%	0.642	38%	0.377	S	S	*	.	S	Bend	trans	-138.8	152.5	-175.5	60.9	175.1	-179.2	166.7	1	111.7	I262 W560 D561	R260-I262 PolarHBondContact O-N 2.78Å; R260-W560 CarbonylContact O-C 3.55Å; R260-W560 VanDerWaalsContact O-CA 3.3Å; R260-W560 WeakPolarHBondContact O-CA 3.07Å; R260-D561 WeakPolarHBondContact CG-O 3.17Å; R260-D561 PolarHBondContact N-O 3.43Å; R260-D561 PolarHBondContact O-N 3.36Å
261	Q	93.4	Very high	91.9	Very high	71 Å²	71	77.6 Å²	77.6	33%	0.332	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	120.6	167.4	-174.6	-179.5	-53.8	0	0	108.6	E264 L559 W560	Q261-E264 PolarHBondContact NE2-OE2 3.2Å; Q261-L559 CarbonylContact C-O 3.58Å; Q261-L559 WeakPolarHBondContact CA-O 3.37Å; Q261-W560 HydrophobicContact CB-CD2 4.44Å; Q261-W560 HydrophobicContact CB-CE3 3.86Å; Q261-W560 HydrophobicContact CB-CH2 4.07Å; Q261-W560 HydrophobicContact CB-CZ3 3.66Å; Q261-W560 HydrophobicContact CG-CH2 4.49Å; Q261-W560 HydrophobicContact CG-CZ3 4.49Å
262	I	92.4	Very high	92.1	Very high	54 Å²	54	74.4 Å²	74.4	28%	0.277	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	-40	173.7	-51	164.3	0	0	0	110.8	R260 R304 K547 L559 D561	R260-I262 PolarHBondContact O-N 2.78Å; I262-R304 VanDerWaalsContact CG2-NH2 3.3Å; I262-K547 HydrophobicContact CD1-CD 3.75Å; I262-L559 HydrophobicContact CB-CD2 4.49Å; I262-L559 HydrophobicContact CD1-CD2 4.17Å; I262-L559 HydrophobicContact CD1-CG 4.26Å; I262-L559 PolarHBondContact N-O 2.93Å; I262-D561 HydrophobicContact CD1-CB 3.14Å; I262-D561 HydrophobicContact CG1-CB 3.58Å
263	H	92.9	Very high	92.4	Very high	52 Å²	52	73.3 Å²	73.3	24%	0.241	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	151.7	-171.8	-164.8	63.3	0	0	0	111.7	W265 R304 R558 L559	H263-W265 AromaticContact CD2-CD2 3.59Å; H263-W265 AromaticContact CD2-CE2 3.38Å; H263-W265 AromaticContact CD2-CZ2 3.68Å; H263-W265 AromaticContact CD2-NE1 3.64Å; H263-W265 AromaticContact NE2-CD1 3.63Å; H263-W265 AromaticContact NE2-CE2 3.71Å; H263-W265 AromaticContact NE2-NE1 3.43Å; H263-W265 PolarHBondContact NE2-NE1 3.23Å; H263-R304 VanDerWaalsContact CD2-CD 3.43Å; H263-R304 WeakPolarHBondContact CD2-CD 3.38Å; H263-R558 WeakPolarHBondContact O-CA 3.09Å; H263-L559 HydrophobicContact CB-CB 4.11Å; H263-L559 HydrophobicContact CB-CD2 4.43Å; H263-L559 PolarHBondContact N-O 2.89Å; H263-L559 PolarHBondContact O-N 2.71Å
264	E	93.9	Very high	92.8	Very high	48 Å²	48	64.6 Å²	64.6	22%	0.224	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	121	175.3	-178.6	169.6	-158.7	0	0	108.9	Q261 I266 I557 R558	Q261-E264 PolarHBondContact NE2-OE2 3.2Å; E264-I266 VanDerWaalsContact C-N 3.32Å; E264-I266 HydrophobicContact CB-CG1 4.35Å; E264-I266 HydrophobicContact CG-CG1 3.71Å; E264-I266 PolarHBondContact O-N 3.22Å; E264-I557 WeakPolarHBondContact CA-O 3.46Å; E264-R558 HydrophobicContact CB-CG 4.21Å; E264-R558 HydrophobicContact CG-CG 3.88Å; E264-R558 IonicContact OE1-CZ 2.68Å; E264-R558 VanDerWaalsContact OE1-CZ 3.23Å; E264-R558 IonicContact OE1-NE 2.92Å; E264-R558 PolarHBondContact OE1-NE 3.42Å; E264-R558 IonicContact OE1-NH2 2.66Å; E264-R558 PolarHBondContact OE1-NH2 2.95Å; E264-R558 IonicContact OE2-NE 2.84Å
265	W	94.2	Very high	93	Very high	12 Å²	12	58.3 Å²	58.3	5%	0.045	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	86	166.6	-62.3	-83.7	0	0	0	107.4	H263 S267 A268 M286 W298 L300 R304 I557 L559	H263-W265 AromaticContact CD2-CD2 3.59Å; H263-W265 AromaticContact CD2-CE2 3.38Å; H263-W265 AromaticContact CD2-CZ2 3.68Å; H263-W265 AromaticContact CD2-NE1 3.64Å; H263-W265 AromaticContact NE2-CD1 3.63Å; H263-W265 AromaticContact NE2-CE2 3.71Å; H263-W265 AromaticContact NE2-NE1 3.43Å; H263-W265 PolarHBondContact NE2-NE1 3.23Å; W265-S267 PolarHBondContact O-N 2.96Å; W265-A268 HydrophobicContact CB-CB 3.97Å; W265-A268 PolarHBondContact O-N 3.21Å; W265-M286 HydrophobicContact CD2-CE 4.39Å; W265-M286 HydrophobicContact CE3-CE 4.16Å; W265-M286 HydrophobicContact CH2-CE 3.84Å; W265-M286 HydrophobicContact CZ2-CE 4.08Å; W265-M286 HydrophobicContact CZ3-CE 3.89Å; W265-W298 HydrophobicContact CB-CZ3 4.47Å; W265-W298 AromaticContact CD1-CE3 3.46Å; W265-W298 VanDerWaalsContact CD1-CE3 3.46Å; W265-W298 AromaticContact CD1-CZ3 3.55Å; W265-W298 HydrophobicContact CG-CE3 4.19Å; W265-W298 HydrophobicContact CG-CZ3 4.24Å; W265-W298 AromaticContact NE1-CE3 3.74Å; W265-L300 HydrophobicContact CH2-CD2 3.61Å; W265-L300 HydrophobicContact CZ2-CD2 4.06Å; W265-R304 HydrophobicContact CZ2-CB 3.9Å; W265-R304 HydrophobicContact CZ2-CG 4.3Å; W265-R304 PolarHBondContact NE1-O 3.3Å; W265-I557 HydrophobicContact CB-CB 4.24Å; W265-I557 HydrophobicContact CD2-CB 4.4Å; W265-I557 HydrophobicContact CE3-CB 3.69Å; W265-I557 HydrophobicContact CE3-CG2 3.54Å; W265-I557 HydrophobicContact CZ3-CB 4.45Å; W265-I557 HydrophobicContact CZ3-CG2 3.8Å; W265-I557 PolarHBondContact N-O 3.08Å; W265-I557 PolarHBondContact O-N 3.19Å; W265-L559 HydrophobicContact CH2-CB 4.15Å; W265-L559 HydrophobicContact CZ3-CB 3.95Å
266	I	87.5	Confident	93.1	Very high	121 Å²	121	58.9 Å²	58.9	62%	0.621	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	129.5	179	-57.7	172.4	0	0	0	108.8	E264 A268	E264-I266 VanDerWaalsContact C-N 3.32Å; E264-I266 HydrophobicContact CB-CG1 4.35Å; E264-I266 HydrophobicContact CG-CG1 3.71Å; E264-I266 PolarHBondContact O-N 3.22Å; I266-A268 PolarHBondContact O-N 3.2Å
267	S	86.2	Confident	93.2	Very high	83 Å²	83	58.4 Å²	58.4	58%	0.58	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	41.5	-178.1	-56.1	0	0	0	0	112.2	W265 H269 N556	W265-S267 PolarHBondContact O-N 2.96Å; S267-H269 PolarHBondContact O-N 2.92Å; S267-H269 VanDerWaalsContact O-N 3.15Å; S267-N556 PolarHBondContact N-OD1 3.17Å
268	A	89.1	Confident	93.2	Very high	1 Å²	1	57.9 Å²	57.9	1%	0.008	28%	0.281	C	S	.	.	S	Bend	trans	-49.5	-39.8	172.2	0	0	0	0	0	110.2	W265 I266 K296 W298 G555 I557	W265-A268 HydrophobicContact CB-CB 3.97Å; W265-A268 PolarHBondContact O-N 3.21Å; I266-A268 PolarHBondContact O-N 3.2Å; A268-K296 WeakPolarHBondContact O-CD 3.19Å; A268-K296 VanDerWaalsContact O-CE 3.24Å; A268-K296 WeakPolarHBondContact O-CE 3.15Å; A268-K296 PolarHBondContact O-NZ 3.26Å; A268-W298 HydrophobicContact CB-CH2 4.06Å; A268-W298 HydrophobicContact CB-CZ2 3.66Å; A268-G555 WeakPolarHBondContact CB-O 3.33Å; A268-G555 PolarHBondContact N-O 3.14Å; A268-G555 VanDerWaalsContact N-O 3.1Å; A268-I557 HydrophobicContact CB-CD1 3.86Å; A268-I557 HydrophobicContact CB-CG1 3.86Å
269	H	93.4	Very high	93.3	Very high	3 Å²	3	58.4 Å²	58.4	1%	0.014	28%	0.283	C	S	.	.	S	Bend	trans	-125.8	153.9	166.3	-72.4	-91.7	0	0	0	110.7	S267 R271 V273 S288 G290 D292 K294 G555	S267-H269 PolarHBondContact O-N 2.92Å; S267-H269 VanDerWaalsContact O-N 3.15Å; H269-R271 CarbonylContact C-O 3.57Å; H269-R271 WeakPolarHBondContact CB-O 3.09Å; H269-R271 PolarHBondContact O-N 2.75Å; H269-V273 HydrophobicContact CB-CG2 4.44Å; H269-S288 PolarHBondContact NE2-OG 3.09Å; H269-G290 PolarHBondContact CE1-N 3.25Å; H269-G290 WeakPolarHBondContact ND1-CA 3.27Å; H269-D292 IonicContact CE1-OD1 3.82Å; H269-D292 IonicContact CG-OD1 2.75Å; H269-D292 IonicContact CG-OD2 3.76Å; H269-D292 IonicContact ND1-OD1 3.23Å; H269-D292 PolarHBondContact ND1-OD1 2.67Å; H269-D292 IonicContact ND1-OD2 3.11Å; H269-D292 PolarHBondContact ND1-OD2 2.71Å; H269-K294 PolarHBondContact CE1-O 3.18Å; H269-K294 VanDerWaalsContact CE1-O 3.23Å; H269-G555 PolarHBondContact N-O 3.24Å; H269-G555 VanDerWaalsContact N-O 3.13Å
270	A	93.1	Very high	93.3	Very high	91 Å²	91	50.7 Å²	50.7	75%	0.752	25%	0.253	S	S	*	.	S	Bend	trans	-72.7	-16.7	177.6	0	0	0	0	0	112.8	D292	A270-D292 HydrophobicContact CB-CB 4.18Å; A270-D292 PolarHBondContact N-OD2 2.9Å
271	R	93.7	Very high	93	Very high	167 Å²	167	49 Å²	49	63%	0.63	25%	0.25	S	C	*	.	S	Bend	trans	-128.5	178.2	172.9	-64.5	-180	175.7	174.3	-2.2	108.3	H269 M291 D292 G555	H269-R271 CarbonylContact C-O 3.57Å; H269-R271 WeakPolarHBondContact CB-O 3.09Å; H269-R271 PolarHBondContact O-N 2.75Å; R271-M291 HydrophobicContact CB-CB 3.78Å; R271-M291 WeakPolarHBondContact CD-O 2.99Å; R271-M291 PolarHBondContact NH1-O 3.01Å; R271-D292 HydrophobicContact CB-CB 4.25Å; R271-D292 HydrophobicContact CG-CB 4.3Å; R271-G555 WeakPolarHBondContact O-CA 3.33Å
272	G	93.4	Very high	92.9	Very high	5 Å²	5	46.4 Å²	46.4	5%	0.052	24%	0.239	C	C	.	.			trans	-52.1	145	179.4	0	0	0	0	0	114.5	M291 W553	G272-M291 WeakPolarHBondContact O-CB 3.21Å; G272-M291 WeakPolarHBondContact O-CG 3.3Å; G272-M291 PolarHBondContact O-N 2.97Å; G272-W553 VanDerWaalsContact CA-O 3.24Å; G272-W553 WeakPolarHBondContact CA-O 3.39Å
273	V	96.2	Very high	92.8	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	126.7	172.3	-173.2	0	0	0	0	107.9	H269 I276 A289 I536 A551 G552 I557	H269-V273 HydrophobicContact CB-CG2 4.44Å; V273-I276 HydrophobicContact CG1-CD1 4.46Å; V273-I276 HydrophobicContact CG1-CG1 3.94Å; V273-A289 CarbonylContact C-O 3.55Å; V273-A289 WeakPolarHBondContact CG1-O 3.39Å; V273-I536 WeakPolarHBondContact O-CG2 3.47Å; V273-A551 HydrophobicContact CB-CB 3.88Å; V273-A551 HydrophobicContact CG1-CB 3.83Å; V273-G552 PolarHBondContact N-O 2.64Å; V273-G552 VanDerWaalsContact N-O 3.09Å; V273-I557 HydrophobicContact CG2-CG1 4.07Å
274	A	95.3	Very high	92.9	Very high	6 Å²	6	41.6 Å²	41.6	5%	0.05	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	-40.8	-177.4	0	0	0	0	0	112.9	A289 V317 N537	A274-A289 PolarHBondContact N-O 3.34Å; A274-V317 WeakPolarHBondContact CB-O 3.47Å; A274-N537 PolarHBondContact O-ND2 2.88Å
275	A	95.4	Very high	92.9	Very high	2 Å²	2	39.4 Å²	39.4	2%	0.017	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	144.6	-177.3	0	0	0	0	0	110.7	S288 A289 V320 N537	A275-S288 WeakPolarHBondContact O-CA 3.49Å; A275-A289 HydrophobicContact CB-CB 4.09Å; A275-A289 PolarHBondContact O-N 2.97Å; A275-V320 HydrophobicContact CB-CG2 3.89Å; A275-N537 WeakPolarHBondContact CA-ND2 3.29Å; A275-N537 PolarHBondContact N-ND2 3.37Å
276	I	96.1	Very high	93	Very high	12 Å²	12	38.8 Å²	38.8	6%	0.062	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	135.4	166.9	-66.9	-168.3	0	0	0	108.6	V273 M286 L287 N537 I549 A551 I557	V273-I276 HydrophobicContact CG1-CD1 4.46Å; V273-I276 HydrophobicContact CG1-CG1 3.94Å; I276-M286 HydrophobicContact CD1-SD 3.95Å; I276-M286 HydrophobicContact CG2-CG 3.53Å; I276-M286 HydrophobicContact CG2-SD 3.6Å; I276-L287 CarbonylContact C-O 3.56Å; I276-L287 WeakPolarHBondContact CA-O 3.4Å; I276-N537 HydrophobicContact CB-CB 4.21Å; I276-N537 HydrophobicContact CG1-CB 4.36Å; I276-I549 HydrophobicContact CD1-CG2 4.06Å; I276-A551 HydrophobicContact CD1-CB 3.24Å; I276-A551 HydrophobicContact CG1-CB 3.69Å; I276-I557 HydrophobicContact CD1-CB 4.4Å; I276-I557 HydrophobicContact CD1-CD1 3.89Å; I276-I557 HydrophobicContact CD1-CG1 3.94Å; I276-I557 HydrophobicContact CD1-CG2 3.62Å
277	R	96.4	Very high	93.4	Very high	92 Å²	92	33.1 Å²	33.1	35%	0.347	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	134.7	169.5	-62.5	-63.4	-178.5	174.3	-1.6	110.7	M286 L287 D319 V320 F322	R277-M286 WeakPolarHBondContact O-CA 3.17Å; R277-L287 PolarHBondContact N-O 3.07Å; R277-L287 PolarHBondContact O-N 3.43Å; R277-D319 IonicContact CZ-OD1 3.65Å; R277-D319 IonicContact NE-OD1 3.37Å; R277-D319 IonicContact NH2-OD1 2.69Å; R277-D319 PolarHBondContact NH2-OD1 2.93Å; R277-D319 VanDerWaalsContact NH2-OD1 3.11Å; R277-D319 IonicContact NH2-OD2 2.75Å; R277-V320 HydrophobicContact CG-CG2 3.99Å; R277-V320 WeakPolarHBondContact CG-O 3.44Å; R277-V320 PolarHBondContact NE-O 3.31Å; R277-F322 HydrophobicContact CB-CD2 4.06Å; R277-F322 HydrophobicContact CB-CE2 4.18Å
278	L	95.5	Very high	93.9	Very high	33 Å²	33	29.1 Å²	29.1	17%	0.173	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	151.5	169	-65.7	179.8	0	0	0	110.3	M286 L300 F322 A539 L541 I549	L278-M286 HydrophobicContact CD2-CB 4.4Å; L278-L300 HydrophobicContact CD2-CD1 3.54Å; L278-F322 WeakPolarHBondContact O-CD2 3.39Å; L278-A539 HydrophobicContact CD1-CB 4.11Å; L278-A539 HydrophobicContact CG-CB 4.23Å; L278-L541 HydrophobicContact CD1-CD2 4.07Å; L278-L541 HydrophobicContact CD2-CD2 4.15Å; L278-I549 HydrophobicContact CD2-CD1 3.67Å
279	F	95.2	Very high	94.3	Very high	14 Å²	14	29.1 Å²	29.1	6%	0.061	15%	0.146	C	C	.	.	P	Polyproline II helix	trans	-61.5	134.8	172.5	-166.3	-91.3	0	0	0	110.4	L235 T282 G283 H284 L285 F322 D325 G326	L235-F279 HydrophobicContact CB-CE2 4.41Å; L235-F279 HydrophobicContact CB-CZ 4.22Å; L235-F279 HydrophobicContact CD2-CE2 3.92Å; F279-T282 WeakPolarHBondContact CD1-OG1 3.4Å; F279-G283 WeakPolarHBondContact O-CA 3.18Å; F279-G283 PolarHBondContact O-N 3.2Å; F279-H284 AromaticContact CD1-CE1 3.36Å; F279-H284 WeakPolarHBondContact CD1-CE1 3.44Å; F279-H284 AromaticContact CD1-ND1 3.83Å; F279-H284 AromaticContact CE1-CE1 3.63Å; F279-H284 AromaticContact CG-CE1 3.86Å; F279-L285 HydrophobicContact CB-CB 3.9Å; F279-L285 WeakPolarHBondContact CB-O 3.2Å; F279-L285 HydrophobicContact CD2-CB 4.16Å; F279-L285 HydrophobicContact CD2-CD1 3.99Å; F279-L285 HydrophobicContact CD2-CG 4.37Å; F279-L285 HydrophobicContact CE2-CD1 4.32Å; F279-L285 HydrophobicContact CG-CB 4.27Å; F279-L285 PolarHBondContact N-O 2.92Å; F279-F322 HydrophobicContact CD2-CE1 4.25Å; F279-F322 HydrophobicContact CD2-CZ 4.27Å; F279-D325 WeakPolarHBondContact CZ-O 3.42Å; F279-G326 WeakPolarHBondContact CE2-O 3.43Å
280	P	92.5	Very high	94.4	Very high	28 Å²	28	29 Å²	29	18%	0.182	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	148.8	-175.5	28.8	-38.9	0	0	0	111.7	T282 F322 N323 S324	P280-T282 PolarHBondContact O-N 3.29Å; P280-T282 PolarHBondContact O-OG1 3.25Å; P280-F322 HydrophobicContact CG-CB 4.32Å; P280-N323 WeakPolarHBondContact CG-O 3.35Å; P280-S324 WeakPolarHBondContact CB-O 3.29Å; P280-S324 WeakPolarHBondContact CG-O 3.45Å
281	K	86.9	Confident	94.5	Very high	133 Å²	133	27.1 Å²	27.1	58%	0.578	12%	0.122	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.7	-46.3	-179.9	-57.8	173.8	177.4	172.1	0	114.9	D325 E367 H543	K281-D325 IonicContact NZ-OD1 3.42Å; K281-E367 IonicContact NZ-OE1 2.89Å; K281-E367 PolarHBondContact NZ-OE1 2.93Å; K281-E367 VanDerWaalsContact NZ-OE1 3.08Å; K281-H543 PolarHBondContact O-CE1 2.82Å; K281-H543 PolarHBondContact O-NE2 3.14Å
282	T	91.1	Very high	94.5	Very high	17 Å²	17	20.1 Å²	20.1	10%	0.104	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.5	-26.7	-165.4	47.2	0	0	0	0	114.1	A237 L246 F279 P280 H284 H543	A237-T282 HydrophobicContact CB-CG2 3.64Å; L246-T282 HydrophobicContact CB-CG2 4.4Å; L246-T282 WeakPolarHBondContact O-CG2 3.46Å; F279-T282 WeakPolarHBondContact CD1-OG1 3.4Å; P280-T282 PolarHBondContact O-N 3.29Å; P280-T282 PolarHBondContact O-OG1 3.25Å; T282-H284 WeakPolarHBondContact CB-ND1 3.05Å; T282-H284 PolarHBondContact O-N 2.83Å; T282-H284 VanDerWaalsContact O-N 3.14Å; T282-H284 PolarHBondContact OG1-CE1 3.32Å; T282-H284 PolarHBondContact OG1-ND1 2.89Å; T282-H543 PolarHBondContact O-CD2 2.8Å
283	G	91.7	Very high	94.5	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.106	C	C	.	.			trans	59.1	24.6	174.7	0	0	0	0	0	115.5	F279 L300 L541	F279-G283 WeakPolarHBondContact O-CA 3.18Å; F279-G283 PolarHBondContact O-N 3.2Å; G283-L300 WeakPolarHBondContact O-CD1 3.46Å; G283-L541 WeakPolarHBondContact O-CD2 3.46Å
284	H	93.6	Very high	94.5	Very high	5 Å²	5	25.1 Å²	25.1	2%	0.023	12%	0.121	C	C	.	.			trans	-84.8	-22	176.1	59.7	-60.7	0	0	0	114.3	L235 P238 L246 F279 T282 L300 Y301	L235-H284 PolarHBondContact O-CE1 2.87Å; L235-H284 PolarHBondContact O-NE2 3.09Å; P238-H284 HydrophobicContact CG-CB 4.17Å; L246-H284 HydrophobicContact CD1-CB 3.75Å; F279-H284 AromaticContact CD1-CE1 3.36Å; F279-H284 WeakPolarHBondContact CD1-CE1 3.44Å; F279-H284 AromaticContact CD1-ND1 3.83Å; F279-H284 AromaticContact CE1-CE1 3.63Å; F279-H284 AromaticContact CG-CE1 3.86Å; T282-H284 WeakPolarHBondContact CB-ND1 3.05Å; T282-H284 PolarHBondContact O-N 2.83Å; T282-H284 VanDerWaalsContact O-N 3.14Å; T282-H284 PolarHBondContact OG1-CE1 3.32Å; T282-H284 PolarHBondContact OG1-ND1 2.89Å; H284-L300 WeakPolarHBondContact O-CB 3.11Å; H284-L300 PolarHBondContact O-N 2.84Å; H284-Y301 HydrophobicContact CB-CD2 3.76Å; H284-Y301 HydrophobicContact CB-CE2 3.98Å
285	L	95	Very high	94.6	Very high	2 Å²	2	25 Å²	25	1%	0.01	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	158.7	171.3	-48.3	178.9	0	0	0	110.6	F234 L235 F279 L297 W298 I307	F234-L285 HydrophobicContact CD2-CD1 3.91Å; L235-L285 HydrophobicContact CD2-CD1 3.84Å; F279-L285 HydrophobicContact CB-CB 3.9Å; F279-L285 WeakPolarHBondContact CB-O 3.2Å; F279-L285 HydrophobicContact CD2-CB 4.16Å; F279-L285 HydrophobicContact CD2-CD1 3.99Å; F279-L285 HydrophobicContact CD2-CG 4.37Å; F279-L285 HydrophobicContact CE2-CD1 4.32Å; F279-L285 HydrophobicContact CG-CB 4.27Å; F279-L285 PolarHBondContact N-O 2.92Å; L285-L297 HydrophobicContact CB-CD1 4.09Å; L285-L297 HydrophobicContact CD1-CD1 4.41Å; L285-L297 HydrophobicContact CD1-CD2 4.25Å; L285-W298 VanDerWaalsContact CA-O 3.32Å; L285-W298 WeakPolarHBondContact CA-O 3.48Å; L285-I307 HydrophobicContact CD1-CD1 4.42Å; L285-I307 HydrophobicContact CD2-CD1 3.38Å; L285-I307 HydrophobicContact CG-CD1 4.46Å
286	M	95.9	Very high	94.6	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	134.5	176.3	172	-176.9	50.7	0	0	109.4	W265 I276 R277 L278 L297 W298 L300 I549 I557	W265-M286 HydrophobicContact CD2-CE 4.39Å; W265-M286 HydrophobicContact CE3-CE 4.16Å; W265-M286 HydrophobicContact CH2-CE 3.84Å; W265-M286 HydrophobicContact CZ2-CE 4.08Å; W265-M286 HydrophobicContact CZ3-CE 3.89Å; I276-M286 HydrophobicContact CD1-SD 3.95Å; I276-M286 HydrophobicContact CG2-CG 3.53Å; I276-M286 HydrophobicContact CG2-SD 3.6Å; R277-M286 WeakPolarHBondContact O-CA 3.17Å; L278-M286 HydrophobicContact CD2-CB 4.4Å; M286-L297 CarbonylContact O-C 3.55Å; M286-L297 WeakPolarHBondContact O-CA 3.42Å; M286-W298 HydrophobicContact CB-CB 4.42Å; M286-W298 HydrophobicContact CE-CB 3.76Å; M286-W298 HydrophobicContact CE-CG 3.93Å; M286-W298 PolarHBondContact N-O 3.42Å; M286-W298 PolarHBondContact O-N 2.67Å; M286-L300 HydrophobicContact CB-CD1 3.92Å; M286-L300 HydrophobicContact CB-CD2 3.83Å; M286-L300 HydrophobicContact CB-CG 3.84Å; M286-L300 HydrophobicContact CE-CD2 3.65Å; M286-L300 HydrophobicContact SD-CD2 4.1Å; M286-I549 HydrophobicContact SD-CD1 4.36Å; M286-I549 HydrophobicContact SD-CG2 3.65Å; M286-I557 HydrophobicContact CE-CD1 4.28Å; M286-I557 HydrophobicContact CE-CG2 3.97Å; M286-I557 HydrophobicContact SD-CG2 3.97Å
287	L	96.6	Very high	94.7	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.005	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	128.1	174.4	-170.2	159.4	0	0	0	109	I276 R277 V295 K296 L297 V320 F322 F329	I276-L287 CarbonylContact C-O 3.56Å; I276-L287 WeakPolarHBondContact CA-O 3.4Å; R277-L287 PolarHBondContact N-O 3.07Å; R277-L287 PolarHBondContact O-N 3.43Å; L287-V295 HydrophobicContact CD1-CG1 4.15Å; L287-V295 HydrophobicContact CD2-CG1 3.36Å; L287-V295 HydrophobicContact CG-CG1 3.69Å; L287-K296 CarbonylContact C-O 3.54Å; L287-K296 WeakPolarHBondContact CA-O 3.38Å; L287-L297 HydrophobicContact CB-CD1 4.25Å; L287-V320 HydrophobicContact CD2-CB 3.5Å; L287-V320 HydrophobicContact CD2-CG1 3.67Å; L287-V320 HydrophobicContact CD2-CG2 3.36Å; L287-F322 HydrophobicContact CB-CE1 4.49Å; L287-F322 HydrophobicContact CB-CE2 3.54Å; L287-F322 HydrophobicContact CB-CZ 3.46Å; L287-F322 VanDerWaalsContact CB-CZ 3.46Å; L287-F322 HydrophobicContact CD1-CE1 3.77Å; L287-F322 HydrophobicContact CD1-CE2 4.09Å; L287-F322 HydrophobicContact CD1-CZ 3.55Å; L287-F322 HydrophobicContact CG-CE2 4.46Å; L287-F322 HydrophobicContact CG-CZ 4.16Å; L287-F329 HydrophobicContact CD1-CB 3.96Å; L287-F329 HydrophobicContact CD1-CD1 3.94Å; L287-F329 HydrophobicContact CD1-CD2 3.57Å; L287-F329 HydrophobicContact CD1-CE1 4.25Å; L287-F329 HydrophobicContact CD1-CE2 3.96Å; L287-F329 HydrophobicContact CD1-CG 3.53Å; L287-F329 HydrophobicContact CD1-CZ 4.25Å
288	S	96.9	Very high	94.6	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	135.4	176.8	66.6	0	0	0	0	110.9	H269 A275 V295 K296 W298	H269-S288 PolarHBondContact NE2-OG 3.09Å; A275-S288 WeakPolarHBondContact O-CA 3.49Å; S288-V295 CarbonylContact O-C 3.53Å; S288-V295 WeakPolarHBondContact O-CA 3.18Å; S288-K296 PolarHBondContact N-O 2.8Å; S288-K296 PolarHBondContact O-N 3.19Å; S288-W298 PolarHBondContact OG-NE1 2.8Å
289	A	96.4	Very high	94.5	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	129	173.3	0	0	0	0	0	109.7	V273 A274 A275 V317 V320	V273-A289 CarbonylContact C-O 3.55Å; V273-A289 WeakPolarHBondContact CG1-O 3.39Å; A274-A289 PolarHBondContact N-O 3.34Å; A275-A289 HydrophobicContact CB-CB 4.09Å; A275-A289 PolarHBondContact O-N 2.97Å; A289-V317 HydrophobicContact CB-CB 4.07Å; A289-V317 HydrophobicContact CB-CG1 3.79Å; A289-V320 HydrophobicContact CB-CG1 3.78Å; A289-V320 HydrophobicContact CB-CG2 3.97Å
290	G	95	Very high	94.4	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	154.3	-179.6	0	0	0	0	0	114.1	H269 D292 S293 K294 V317	H269-G290 PolarHBondContact CE1-N 3.25Å; H269-G290 WeakPolarHBondContact ND1-CA 3.27Å; G290-D292 WeakPolarHBondContact CA-OD1 3.46Å; G290-D292 PolarHBondContact O-N 3.33Å; G290-S293 PolarHBondContact O-N 2.7Å; G290-K294 PolarHBondContact N-O 2.92Å; G290-V317 PolarHBondContact O-N 2.77Å
291	M	95.3	Very high	94.2	Very high	53 Å²	53	21.1 Å²	21.1	26%	0.261	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-5	166.6	-64.3	-178.1	-174.1	0	0	113.2	R271 G272 S293 A316 W553	R271-M291 HydrophobicContact CB-CB 3.78Å; R271-M291 WeakPolarHBondContact CD-O 2.99Å; R271-M291 PolarHBondContact NH1-O 3.01Å; G272-M291 WeakPolarHBondContact O-CB 3.21Å; G272-M291 WeakPolarHBondContact O-CG 3.3Å; G272-M291 PolarHBondContact O-N 2.97Å; M291-S293 PolarHBondContact O-N 3.43Å; M291-A316 HydrophobicContact CB-CB 4.07Å; M291-A316 HydrophobicContact CG-CB 4.3Å; M291-W553 HydrophobicContact CE-CD2 3.98Å; M291-W553 VanDerWaalsContact CE-CE2 3.47Å; M291-W553 HydrophobicContact CE-CG 4.31Å; M291-W553 HydrophobicContact CE-CH2 4.45Å; M291-W553 HydrophobicContact CE-CZ2 3.75Å
292	D	94.2	Very high	94.2	Very high	20 Å²	20	20.4 Å²	20.4	11%	0.107	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	16.4	172.9	67.4	-12.5	0	0	0	113.2	H269 A270 R271 G290 K294	H269-D292 IonicContact CE1-OD1 3.82Å; H269-D292 IonicContact CG-OD1 2.75Å; H269-D292 IonicContact CG-OD2 3.76Å; H269-D292 IonicContact ND1-OD1 3.23Å; H269-D292 PolarHBondContact ND1-OD1 2.67Å; H269-D292 IonicContact ND1-OD2 3.11Å; H269-D292 PolarHBondContact ND1-OD2 2.71Å; A270-D292 HydrophobicContact CB-CB 4.18Å; A270-D292 PolarHBondContact N-OD2 2.9Å; R271-D292 HydrophobicContact CB-CB 4.25Å; R271-D292 HydrophobicContact CG-CB 4.3Å; G290-D292 WeakPolarHBondContact CA-OD1 3.46Å; G290-D292 PolarHBondContact O-N 3.33Å; D292-K294 PolarHBondContact O-N 2.8Å; D292-K294 PolarHBondContact OD1-N 3.28Å
293	S	94.1	Very high	94	Very high	34 Å²	34	25.7 Å²	25.7	24%	0.238	12%	0.121	C	C	.	.	S	Bend	trans	62	15.8	-179.1	75.6	0	0	0	0	115.9	G290 M291 H313 Q315	G290-S293 PolarHBondContact O-N 2.7Å; M291-S293 PolarHBondContact O-N 3.43Å; S293-H313 VanDerWaalsContact CB-O 3.31Å; S293-H313 WeakPolarHBondContact CB-O 3.46Å; S293-H313 PolarHBondContact OG-O 2.9Å; S293-Q315 WeakPolarHBondContact CA-O 3.14Å; S293-Q315 WeakPolarHBondContact CB-O 3.46Å
294	K	95.7	Very high	93.9	Very high	76 Å²	76	28.2 Å²	28.2	33%	0.33	13%	0.13	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	147.7	177.7	-58	-177	-177.8	174.1	0	110.9	H269 G290 D292 M311	H269-K294 PolarHBondContact CE1-O 3.18Å; H269-K294 VanDerWaalsContact CE1-O 3.23Å; G290-K294 PolarHBondContact N-O 2.92Å; D292-K294 PolarHBondContact O-N 2.8Å; D292-K294 PolarHBondContact OD1-N 3.28Å; K294-M311 HydrophobicContact CD-CG 4.31Å; K294-M311 HydrophobicContact CD-SD 4.4Å; K294-M311 HydrophobicContact CG-CG 4.1Å
295	V	97	Very high	93.9	Very high	3 Å²	3	32.7 Å²	32.7	2%	0.018	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	138.1	163.4	179.3	0	0	0	0	107.6	L287 S288 S309 Y310 V317 V320 F329	L287-V295 HydrophobicContact CD1-CG1 4.15Å; L287-V295 HydrophobicContact CD2-CG1 3.36Å; L287-V295 HydrophobicContact CG-CG1 3.69Å; S288-V295 CarbonylContact O-C 3.53Å; S288-V295 WeakPolarHBondContact O-CA 3.18Å; V295-S309 CarbonylContact O-C 3.52Å; V295-S309 WeakPolarHBondContact O-CA 3.41Å; V295-Y310 HydrophobicContact CB-CD2 4.15Å; V295-Y310 HydrophobicContact CG1-CD2 4.08Å; V295-Y310 PolarHBondContact N-O 2.91Å; V295-Y310 WeakPolarHBondContact O-CD2 3.43Å; V295-Y310 PolarHBondContact O-N 2.77Å; V295-V317 HydrophobicContact CG2-CB 4.37Å; V295-V317 HydrophobicContact CG2-CG1 4Å; V295-V317 HydrophobicContact CG2-CG2 4.08Å; V295-V320 HydrophobicContact CG1-CG1 4.46Å; V295-V320 HydrophobicContact CG2-CG1 4.2Å; V295-F329 HydrophobicContact CB-CE2 4.43Å; V295-F329 HydrophobicContact CG1-CE2 3.83Å; V295-F329 HydrophobicContact CG1-CZ 4.2Å
296	K	96.6	Very high	93.8	Very high	30 Å²	30	34.1 Å²	34.1	13%	0.13	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	142	-179	-68.8	-174.1	179.8	-173.2	0	110.4	A268 L287 S288 W298 L306 R308	A268-K296 WeakPolarHBondContact O-CD 3.19Å; A268-K296 VanDerWaalsContact O-CE 3.24Å; A268-K296 WeakPolarHBondContact O-CE 3.15Å; A268-K296 PolarHBondContact O-NZ 3.26Å; L287-K296 CarbonylContact C-O 3.54Å; L287-K296 WeakPolarHBondContact CA-O 3.38Å; S288-K296 PolarHBondContact N-O 2.8Å; S288-K296 PolarHBondContact O-N 3.19Å; K296-W298 HydrophobicContact CB-CZ2 3.98Å; K296-W298 HydrophobicContact CD-CH2 4.29Å; K296-W298 HydrophobicContact CD-CZ2 3.6Å; K296-W298 HydrophobicContact CG-CZ2 4.45Å; K296-L306 HydrophobicContact CB-CD1 3.75Å; K296-L306 HydrophobicContact CD-CD1 3.97Å; K296-L306 HydrophobicContact CD-CD2 4.4Å; K296-L306 HydrophobicContact CG-CD1 4.07Å; K296-R308 WeakPolarHBondContact CA-O 3.42Å
297	L	96.5	Very high	93.8	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	128.3	176.7	-174.3	72.2	0	0	0	109.1	F234 L285 M286 L287 L306 I307 R308 Y310 F322	F234-L297 HydrophobicContact CD2-CD2 3.99Å; F234-L297 HydrophobicContact CE2-CD2 3.39Å; F234-L297 HydrophobicContact CZ-CD2 4.2Å; L285-L297 HydrophobicContact CB-CD1 4.09Å; L285-L297 HydrophobicContact CD1-CD1 4.41Å; L285-L297 HydrophobicContact CD1-CD2 4.25Å; M286-L297 CarbonylContact O-C 3.55Å; M286-L297 WeakPolarHBondContact O-CA 3.42Å; L287-L297 HydrophobicContact CB-CD1 4.25Å; L297-L306 WeakPolarHBondContact O-CD1 3.35Å; L297-I307 HydrophobicContact CB-CB 4.43Å; L297-I307 HydrophobicContact CD2-CB 4.27Å; L297-I307 HydrophobicContact CD2-CD1 4.34Å; L297-I307 HydrophobicContact CD2-CG2 4.12Å; L297-I307 HydrophobicContact CG-CB 4.33Å; L297-I307 HydrophobicContact CG-CD1 4.34Å; L297-I307 WeakPolarHBondContact O-CB 3.48Å; L297-I307 PolarHBondContact O-N 2.98Å; L297-R308 PolarHBondContact N-O 2.89Å; L297-R308 PolarHBondContact O-N 2.84Å; L297-Y310 HydrophobicContact CB-CE2 4.11Å; L297-F322 HydrophobicContact CD1-CZ 4.11Å
298	W	95.4	Very high	93.7	Very high	17 Å²	17	35.6 Å²	35.6	6%	0.064	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	143.8	-174	-53.6	90.7	0	0	0	110.3	W265 A268 L285 M286 S288 K296 L306	W265-W298 HydrophobicContact CB-CZ3 4.47Å; W265-W298 AromaticContact CD1-CE3 3.46Å; W265-W298 VanDerWaalsContact CD1-CE3 3.46Å; W265-W298 AromaticContact CD1-CZ3 3.55Å; W265-W298 HydrophobicContact CG-CE3 4.19Å; W265-W298 HydrophobicContact CG-CZ3 4.24Å; W265-W298 AromaticContact NE1-CE3 3.74Å; A268-W298 HydrophobicContact CB-CH2 4.06Å; A268-W298 HydrophobicContact CB-CZ2 3.66Å; L285-W298 VanDerWaalsContact CA-O 3.32Å; L285-W298 WeakPolarHBondContact CA-O 3.48Å; M286-W298 HydrophobicContact CB-CB 4.42Å; M286-W298 HydrophobicContact CE-CB 3.76Å; M286-W298 HydrophobicContact CE-CG 3.93Å; M286-W298 PolarHBondContact N-O 3.42Å; M286-W298 PolarHBondContact O-N 2.67Å; S288-W298 PolarHBondContact OG-NE1 2.8Å; K296-W298 HydrophobicContact CB-CZ2 3.98Å; K296-W298 HydrophobicContact CD-CH2 4.29Å; K296-W298 HydrophobicContact CD-CZ2 3.6Å; K296-W298 HydrophobicContact CG-CZ2 4.45Å; W298-L306 HydrophobicContact CD2-CD1 3.88Å; W298-L306 HydrophobicContact CE3-CB 3.82Å; W298-L306 HydrophobicContact CE3-CD1 3.87Å; W298-L306 HydrophobicContact CE3-CG 4.44Å; W298-L306 HydrophobicContact CH2-CB 4.17Å; W298-L306 HydrophobicContact CH2-CD1 3.81Å; W298-L306 HydrophobicContact CH2-CD2 4.4Å; W298-L306 HydrophobicContact CH2-CG 4.35Å; W298-L306 HydrophobicContact CZ2-CD1 3.8Å; W298-L306 HydrophobicContact CZ3-CB 3.55Å; W298-L306 HydrophobicContact CZ3-CD1 3.85Å; W298-L306 HydrophobicContact CZ3-CG 4.17Å
299	E	93.6	Very high	93.6	Very high	33 Å²	33	35.8 Å²	35.8	15%	0.154	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	136	163.8	-161.8	-178.3	178.4	0	0	108.7	Y301 K302 R304 R305 I307	E299-Y301 WeakPolarHBondContact CG-O 3.37Å; E299-K302 WeakPolarHBondContact OE1-CD 3.21Å; E299-R304 CarbonylContact O-C 3.56Å; E299-R304 WeakPolarHBondContact O-CA 3.21Å; E299-R305 PolarHBondContact N-O 3.25Å; E299-I307 HydrophobicContact CB-CD1 4.09Å; E299-I307 HydrophobicContact CB-CG1 4.25Å
300	L	92.2	Very high	93.7	Very high	6 Å²	6	36 Å²	36	3%	0.031	16%	0.162	C	C	.	.			trans	-95.5	-26.7	177.4	-70.8	173	0	0	0	113.3	W265 L278 G283 H284 M286 R304 L541 I549	W265-L300 HydrophobicContact CH2-CD2 3.61Å; W265-L300 HydrophobicContact CZ2-CD2 4.06Å; L278-L300 HydrophobicContact CD2-CD1 3.54Å; G283-L300 WeakPolarHBondContact O-CD1 3.46Å; H284-L300 WeakPolarHBondContact O-CB 3.11Å; H284-L300 PolarHBondContact O-N 2.84Å; M286-L300 HydrophobicContact CB-CD1 3.92Å; M286-L300 HydrophobicContact CB-CD2 3.83Å; M286-L300 HydrophobicContact CB-CG 3.84Å; M286-L300 HydrophobicContact CE-CD2 3.65Å; M286-L300 HydrophobicContact SD-CD2 4.1Å; L300-R304 WeakPolarHBondContact O-CG 3.45Å; L300-L541 HydrophobicContact CD1-CD2 3.86Å; L300-I549 HydrophobicContact CD1-CD1 3.78Å; L300-I549 HydrophobicContact CD2-CD1 3.53Å; L300-I549 HydrophobicContact CD2-CG1 4.33Å; L300-I549 HydrophobicContact CG-CD1 4.31Å
301	Y	89.3	Confident	93.7	Very high	14 Å²	14	38.6 Å²	38.6	6%	0.055	18%	0.175	C	C	.	.	S	Bend	trans	-100.1	175.3	178.3	-63.8	-79.7	0	0	0	110.9	I241 L246 H284 E299 E303 R304 E544	I241-Y301 HydrophobicContact CD1-CD1 3.55Å; I241-Y301 HydrophobicContact CD1-CD2 3.52Å; I241-Y301 HydrophobicContact CD1-CE1 3.89Å; I241-Y301 HydrophobicContact CD1-CE2 3.86Å; I241-Y301 HydrophobicContact CD1-CG 3.36Å; I241-Y301 HydrophobicContact CG1-CD1 4Å; I241-Y301 HydrophobicContact CG1-CG 4.02Å; I241-Y301 HydrophobicContact CG2-CD1 3.91Å; I241-Y301 HydrophobicContact CG2-CE1 3.96Å; L246-Y301 HydrophobicContact CD1-CD2 4.46Å; L246-Y301 HydrophobicContact CD1-CE2 4.13Å; L246-Y301 HydrophobicContact CD2-CE2 3.88Å; L246-Y301 WeakPolarHBondContact CD2-OH 3.17Å; H284-Y301 HydrophobicContact CB-CD2 3.76Å; H284-Y301 HydrophobicContact CB-CE2 3.98Å; E299-Y301 WeakPolarHBondContact CG-O 3.37Å; Y301-E303 PolarHBondContact O-N 3.38Å; Y301-R304 PolarHBondContact O-N 2.72Å; Y301-R304 VanDerWaalsContact O-N 3.15Å; Y301-E544 WeakPolarHBondContact CE1-OE1 3.1Å
302	K	86.4	Confident	93.5	Very high	118 Å²	118	36.2 Å²	36.2	51%	0.513	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	-119.3	179.9	-47.9	-171.3	-167.2	-155.8	0	112	D240 E299 R304	D240-K302 WeakPolarHBondContact OD1-CE 3.31Å; D240-K302 IonicContact OD1-NZ 3.81Å; D240-K302 PolarHBondContact OD1-NZ 3.41Å; D240-K302 WeakPolarHBondContact OD2-CE 3.48Å; D240-K302 IonicContact OD2-NZ 3.85Å; D240-K302 PolarHBondContact OD2-NZ 3.34Å; E299-K302 WeakPolarHBondContact OE1-CD 3.21Å; K302-R304 VanDerWaalsContact C-N 3.34Å
303	E	85.8	Confident	93.5	Very high	128 Å²	128	35.6 Å²	35.6	60%	0.598	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-2.2	-175.5	-70.5	-173.9	-143.4	0	0	113.9	Y301 R305	Y301-E303 PolarHBondContact O-N 3.38Å; E303-R305 VanDerWaalsContact C-N 3.28Å; E303-R305 HydrophobicContact CB-CG 3.69Å; E303-R305 VanDerWaalsContact CD-CZ 3.46Å; E303-R305 VanDerWaalsContact CD-NE 3.32Å; E303-R305 PolarHBondContact O-N 3.43Å; E303-R305 IonicContact OE1-CZ 2.66Å; E303-R305 IonicContact OE1-NE 3.22Å; E303-R305 IonicContact OE1-NH2 3.7Å; E303-R305 PolarHBondContact OE1-NH2 2.88Å; E303-R305 IonicContact OE2-CZ 2.96Å; E303-R305 IonicContact OE2-NE 3.35Å; E303-R305 PolarHBondContact OE2-NE 3.05Å; E303-R305 IonicContact OE2-NH2 2.86Å; E303-R305 PolarHBondContact OE2-NH2 3.15Å
304	R	91	Very high	93.4	Very high	53 Å²	53	39.6 Å²	39.6	20%	0.2	17%	0.171	C	C	.	.			trans	57.7	37.9	175.2	-56.7	-177.5	-179.4	128.1	-2.9	114.2	I262 H263 W265 E299 L300 Y301 K302	I262-R304 VanDerWaalsContact CG2-NH2 3.3Å; H263-R304 VanDerWaalsContact CD2-CD 3.43Å; H263-R304 WeakPolarHBondContact CD2-CD 3.38Å; W265-R304 HydrophobicContact CZ2-CB 3.9Å; W265-R304 HydrophobicContact CZ2-CG 4.3Å; W265-R304 PolarHBondContact NE1-O 3.3Å; E299-R304 CarbonylContact O-C 3.56Å; E299-R304 WeakPolarHBondContact O-CA 3.21Å; L300-R304 WeakPolarHBondContact O-CG 3.45Å; Y301-R304 PolarHBondContact O-N 2.72Å; Y301-R304 VanDerWaalsContact O-N 3.15Å; K302-R304 VanDerWaalsContact C-N 3.34Å
305	R	92.4	Very high	93.3	Very high	98 Å²	98	40.2 Å²	40.2	37%	0.37	18%	0.175	S	C	.	.			trans	-75.9	156.6	-171.6	-58.5	172	-177.9	173.1	-2.5	111.6	E299 E303 I307	E299-R305 PolarHBondContact N-O 3.25Å; E303-R305 VanDerWaalsContact C-N 3.28Å; E303-R305 HydrophobicContact CB-CG 3.69Å; E303-R305 VanDerWaalsContact CD-CZ 3.46Å; E303-R305 VanDerWaalsContact CD-NE 3.32Å; E303-R305 PolarHBondContact O-N 3.43Å; E303-R305 IonicContact OE1-CZ 2.66Å; E303-R305 IonicContact OE1-NE 3.22Å; E303-R305 IonicContact OE1-NH2 3.7Å; E303-R305 PolarHBondContact OE1-NH2 2.88Å; E303-R305 IonicContact OE2-CZ 2.96Å; E303-R305 IonicContact OE2-NE 3.35Å; E303-R305 PolarHBondContact OE2-NE 3.05Å; E303-R305 IonicContact OE2-NH2 2.86Å; E303-R305 PolarHBondContact OE2-NH2 3.15Å; R305-I307 PolarHBondContact O-N 2.79Å
306	L	94.4	Very high	93.2	Very high	33 Å²	33	41 Å²	41	17%	0.173	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	120.4	161.4	-179.6	61.2	0	0	0	108.2	H222 K296 L297 W298	H222-L306 HydrophobicContact CB-CG 4.33Å; H222-L306 WeakPolarHBondContact CB-O 3.39Å; H222-L306 VanDerWaalsContact CD2-CD2 3.41Å; H222-L306 WeakPolarHBondContact CD2-CD2 3.24Å; K296-L306 HydrophobicContact CB-CD1 3.75Å; K296-L306 HydrophobicContact CD-CD1 3.97Å; K296-L306 HydrophobicContact CD-CD2 4.4Å; K296-L306 HydrophobicContact CG-CD1 4.07Å; L297-L306 WeakPolarHBondContact O-CD1 3.35Å; W298-L306 HydrophobicContact CD2-CD1 3.88Å; W298-L306 HydrophobicContact CE3-CB 3.82Å; W298-L306 HydrophobicContact CE3-CD1 3.87Å; W298-L306 HydrophobicContact CE3-CG 4.44Å; W298-L306 HydrophobicContact CH2-CB 4.17Å; W298-L306 HydrophobicContact CH2-CD1 3.81Å; W298-L306 HydrophobicContact CH2-CD2 4.4Å; W298-L306 HydrophobicContact CH2-CG 4.35Å; W298-L306 HydrophobicContact CZ2-CD1 3.8Å; W298-L306 HydrophobicContact CZ3-CB 3.55Å; W298-L306 HydrophobicContact CZ3-CD1 3.85Å; W298-L306 HydrophobicContact CZ3-CG 4.17Å
307	I	94.2	Very high	93.2	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	-59.1	179.6	-58.7	-176.9	0	0	0	109.4	L221 H222 I223 F234 L285 L297 E299 R305	L221-I307 HydrophobicContact CD1-CG2 4.43Å; H222-I307 PolarHBondContact N-O 3.1Å; I223-I307 HydrophobicContact CD1-CB 4.04Å; I223-I307 HydrophobicContact CD1-CG1 3.73Å; I223-I307 HydrophobicContact CD1-CG2 4.02Å; F234-I307 HydrophobicContact CB-CD1 4.27Å; F234-I307 HydrophobicContact CD1-CG2 3.76Å; F234-I307 HydrophobicContact CD2-CD1 4.04Å; F234-I307 HydrophobicContact CD2-CG2 3.76Å; F234-I307 HydrophobicContact CE1-CG2 3.81Å; F234-I307 HydrophobicContact CE2-CG2 3.84Å; F234-I307 HydrophobicContact CG-CD1 4.28Å; F234-I307 HydrophobicContact CG-CG2 3.73Å; F234-I307 HydrophobicContact CZ-CG2 3.85Å; L285-I307 HydrophobicContact CD1-CD1 4.42Å; L285-I307 HydrophobicContact CD2-CD1 3.38Å; L285-I307 HydrophobicContact CG-CD1 4.46Å; L297-I307 HydrophobicContact CB-CB 4.43Å; L297-I307 HydrophobicContact CD2-CB 4.27Å; L297-I307 HydrophobicContact CD2-CD1 4.34Å; L297-I307 HydrophobicContact CD2-CG2 4.12Å; L297-I307 HydrophobicContact CG-CB 4.33Å; L297-I307 HydrophobicContact CG-CD1 4.34Å; L297-I307 WeakPolarHBondContact O-CB 3.48Å; L297-I307 PolarHBondContact O-N 2.98Å; E299-I307 HydrophobicContact CB-CD1 4.09Å; E299-I307 HydrophobicContact CB-CG1 4.25Å; R305-I307 PolarHBondContact O-N 2.79Å
308	R	95	Very high	93.2	Very high	30 Å²	30	42 Å²	42	11%	0.113	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	145.5	-171	-162.1	165.4	-163.7	127.7	11	110.6	S219 T220 L221 K296 L297 Y310 E344 S345	S219-R308 PolarHBondContact OG-NE 2.85Å; S219-R308 PolarHBondContact OG-NH2 3.48Å; T220-R308 WeakPolarHBondContact O-CA 3.46Å; T220-R308 WeakPolarHBondContact O-CG 3.36Å; L221-R308 HydrophobicContact CD1-CB 4.4Å; L221-R308 HydrophobicContact CD1-CG 4.48Å; K296-R308 WeakPolarHBondContact CA-O 3.42Å; L297-R308 PolarHBondContact N-O 2.89Å; L297-R308 PolarHBondContact O-N 2.84Å; R308-Y310 HydrophobicContact CB-CE2 4.33Å; R308-Y310 HydrophobicContact CG-CE1 4.39Å; R308-Y310 HydrophobicContact CG-CE2 4.44Å; R308-E344 PolarHBondContact NH1-O 2.72Å; R308-S345 VanDerWaalsContact CZ-C 3.45Å; R308-S345 PolarHBondContact NH1-O 2.98Å; R308-S345 PolarHBondContact NH2-O 2.79Å
309	S	96.2	Very high	93.2	Very high	5 Å²	5	41.7 Å²	41.7	4%	0.035	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	134.8	167.8	54.9	0	0	0	0	111.4	S219 T220 H222 V295	S219-S309 CarbonylContact C-O 3.58Å; S219-S309 VanDerWaalsContact CA-O 3.25Å; S219-S309 WeakPolarHBondContact CA-O 3.46Å; T220-S309 PolarHBondContact N-O 3.32Å; T220-S309 PolarHBondContact O-N 2.99Å; T220-S309 PolarHBondContact OG1-OG 2.83Å; H222-S309 PolarHBondContact NE2-OG 2.88Å; V295-S309 CarbonylContact O-C 3.52Å; V295-S309 WeakPolarHBondContact O-CA 3.41Å
310	Y	96.8	Very high	93.3	Very high	3 Å²	3	40.1 Å²	40.1	1%	0.012	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	128	-179.6	-47.1	-99.6	0	0	0	108.8	V295 L297 R308 F329 W341 T343	V295-Y310 HydrophobicContact CB-CD2 4.15Å; V295-Y310 HydrophobicContact CG1-CD2 4.08Å; V295-Y310 PolarHBondContact N-O 2.91Å; V295-Y310 WeakPolarHBondContact O-CD2 3.43Å; V295-Y310 PolarHBondContact O-N 2.77Å; L297-Y310 HydrophobicContact CB-CE2 4.11Å; R308-Y310 HydrophobicContact CB-CE2 4.33Å; R308-Y310 HydrophobicContact CG-CE1 4.39Å; R308-Y310 HydrophobicContact CG-CE2 4.44Å; Y310-F329 HydrophobicContact CD1-CE1 4.04Å; Y310-F329 AromaticContact CD1-CZ 3.73Å; Y310-F329 HydrophobicContact CD1-CZ 3.73Å; Y310-F329 HydrophobicContact CD2-CE1 4.26Å; Y310-F329 AromaticContact CD2-CZ 3.67Å; Y310-F329 HydrophobicContact CD2-CZ 3.67Å; Y310-F329 AromaticContact CE1-CE1 3.57Å; Y310-F329 HydrophobicContact CE1-CE1 3.57Å; Y310-F329 AromaticContact CE1-CZ 3.75Å; Y310-F329 HydrophobicContact CE1-CZ 3.75Å; Y310-F329 AromaticContact CE2-CE1 3.87Å; Y310-F329 HydrophobicContact CE2-CE1 3.87Å; Y310-F329 AromaticContact CE2-CZ 3.73Å; Y310-F329 HydrophobicContact CE2-CZ 3.73Å; Y310-F329 HydrophobicContact CG-CE1 4.37Å; Y310-F329 AromaticContact CG-CZ 3.69Å; Y310-F329 HydrophobicContact CG-CZ 3.69Å; Y310-F329 AromaticContact CZ-CE1 3.5Å; Y310-F329 AromaticContact CZ-CZ 3.78Å; Y310-W341 HydrophobicContact CD1-CD2 4.25Å; Y310-W341 AromaticContact CD1-CE3 3.86Å; Y310-W341 HydrophobicContact CD1-CE3 3.86Å; Y310-W341 HydrophobicContact CD1-CZ3 4.44Å; Y310-T343 WeakPolarHBondContact OH-CA 3.37Å; Y310-T343 PolarHBondContact OH-O 2.87Å
311	M	94.8	Very high	93.5	Very high	55 Å²	55	40 Å²	40	27%	0.271	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	131.4	-177.6	-64.5	-179.8	-97.6	0	0	107.7	E217 K218 T220 K294	E217-M311 CarbonylContact C-O 3.48Å; E217-M311 WeakPolarHBondContact CA-O 3.29Å; K218-M311 PolarHBondContact N-O 2.91Å; K218-M311 CarbonylContact O-C 3.6Å; K218-M311 WeakPolarHBondContact O-CA 3.43Å; K218-M311 WeakPolarHBondContact O-CB 3.32Å; K218-M311 PolarHBondContact O-N 3.32Å; T220-M311 HydrophobicContact CG2-CE 3.55Å; K294-M311 HydrophobicContact CD-CG 4.31Å; K294-M311 HydrophobicContact CD-SD 4.4Å; K294-M311 HydrophobicContact CG-CG 4.1Å
312	G	91.5	Very high	93.8	Very high	4 Å²	4	40.2 Å²	40.2	4%	0.041	18%	0.178	C	C	.	.			trans	167.9	-17.9	-178	0	0	0	0	0	113.5	K339	G312-K339 PolarHBondContact O-NZ 2.99Å
313	H	94.1	Very high	94.2	Very high	6 Å²	6	35.3 Å²	35.3	3%	0.028	16%	0.158	C	C	.	.			trans	-79.4	142.6	169.1	-76.2	-66	0	0	0	111.1	S293 V317 S331 S333 D335 Y337	S293-H313 VanDerWaalsContact CB-O 3.31Å; S293-H313 WeakPolarHBondContact CB-O 3.46Å; S293-H313 PolarHBondContact OG-O 2.9Å; H313-V317 HydrophobicContact CB-CG2 3.96Å; H313-S331 PolarHBondContact NE2-OG 3.04Å; H313-S333 VanDerWaalsContact CE1-CB 3.48Å; H313-S333 WeakPolarHBondContact CE1-CB 3.46Å; H313-S333 WeakPolarHBondContact ND1-CB 3.39Å; H313-D335 VanDerWaalsContact CA-OD2 3.27Å; H313-D335 WeakPolarHBondContact CA-OD2 3.31Å; H313-D335 WeakPolarHBondContact CB-OD2 3.12Å; H313-D335 IonicContact CG-OD2 3.72Å; H313-D335 IonicContact ND1-OD1 2.7Å; H313-D335 PolarHBondContact ND1-OD1 3.32Å; H313-D335 IonicContact ND1-OD2 3.51Å; H313-D335 PolarHBondContact ND1-OD2 3.38Å; H313-Y337 PolarHBondContact CE1-O 2.78Å
314	R	92.2	Very high	94.5	Very high	118 Å²	118	30.1 Å²	30.1	45%	0.445	14%	0.135	S	C	.	.	S	Bend	trans	-85	-31.5	178	-177.2	172.5	162.7	-144.6	-15.4	111.8	E212 V215 D335	E212-R314 IonicContact OE1-CZ 3.88Å; E212-R314 IonicContact OE1-NH2 3.64Å; E212-R314 PolarHBondContact OE1-NH2 2.66Å; E212-R314 IonicContact OE2-CZ 3.79Å; E212-R314 IonicContact OE2-NE 3.63Å; E212-R314 PolarHBondContact OE2-NE 2.75Å; E212-R314 IonicContact OE2-NH1 2.79Å; E212-R314 IonicContact OE2-NH2 3.67Å; E212-R314 PolarHBondContact OE2-NH2 2.83Å; V215-R314 HydrophobicContact CG2-CB 3.77Å; V215-R314 HydrophobicContact CG2-CG 4.12Å; R314-D335 HydrophobicContact CB-CB 4.13Å; R314-D335 PolarHBondContact N-OD2 3.5Å
315	Q	94	Very high	94.5	Very high	90 Å²	90	31.7 Å²	31.7	42%	0.421	15%	0.148	S	C	.	.	S	Bend	trans	-118.2	178.9	180	-60.2	-172	5.9	0	0	110.9	S293 S333 Y334 D335	S293-Q315 WeakPolarHBondContact CA-O 3.14Å; S293-Q315 WeakPolarHBondContact CB-O 3.46Å; Q315-S333 PolarHBondContact O-OG 2.79Å; Q315-Y334 PolarHBondContact OE1-O 2.86Å; Q315-Y334 VanDerWaalsContact OE1-O 3.07Å; Q315-D335 HydrophobicContact CB-CB 4.14Å; Q315-D335 HydrophobicContact CG-CB 4.1Å
316	A	95.6	Very high	94.5	Very high	20 Å²	20	27 Å²	27	17%	0.165	13%	0.13	C	C	.	.			trans	-56.3	137.3	179.7	0	0	0	0	0	111.7	M291 S333 Y334	M291-A316 HydrophobicContact CB-CB 4.07Å; M291-A316 HydrophobicContact CG-CB 4.3Å; A316-S333 WeakPolarHBondContact O-CA 3.42Å; A316-S333 PolarHBondContact O-OG 2.87Å; A316-Y334 HydrophobicContact CB-CD2 3.82Å; A316-Y334 HydrophobicContact CB-CE2 4.28Å; A316-Y334 VanDerWaalsContact O-CD2 3.29Å; A316-Y334 WeakPolarHBondContact O-CD2 3.11Å; A316-Y334 PolarHBondContact O-N 2.88Å; A316-Y334 VanDerWaalsContact O-N 3.08Å
317	V	96.5	Very high	94.5	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	122.3	174.2	-174.9	0	0	0	0	107.6	A274 A289 G290 V295 H313 V320 A332	A274-V317 WeakPolarHBondContact CB-O 3.47Å; A289-V317 HydrophobicContact CB-CB 4.07Å; A289-V317 HydrophobicContact CB-CG1 3.79Å; G290-V317 PolarHBondContact O-N 2.77Å; V295-V317 HydrophobicContact CG2-CB 4.37Å; V295-V317 HydrophobicContact CG2-CG1 4Å; V295-V317 HydrophobicContact CG2-CG2 4.08Å; H313-V317 HydrophobicContact CB-CG2 3.96Å; V317-V320 HydrophobicContact CG1-CG1 3.96Å; V317-A332 CarbonylContact C-O 3.57Å; V317-A332 WeakPolarHBondContact CA-O 3.41Å; V317-A332 WeakPolarHBondContact CG1-O 3.18Å
318	R	95.5	Very high	94.6	Very high	49 Å²	49	29.3 Å²	29.3	19%	0.185	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	-41.5	-171.9	177.5	56.3	-175.5	88	1.1	113.2	A332 Y334 Y359	R318-A332 PolarHBondContact N-O 2.76Å; R318-Y334 HydrophobicContact CB-CD2 4.4Å; R318-Y334 HydrophobicContact CB-CE2 3.91Å; R318-Y334 WeakPolarHBondContact CD-OH 2.94Å; R318-Y334 HydrophobicContact CG-CE2 4.34Å; R318-Y359 WeakPolarHBondContact CG-O 3.41Å
319	D	95.7	Very high	94.7	Very high	12 Å²	12	27.9 Å²	27.9	6%	0.064	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	157.7	-178	-166.9	21.8	0	0	0	110.2	R277 A332 C360 V361	R277-D319 IonicContact CZ-OD1 3.65Å; R277-D319 IonicContact NE-OD1 3.37Å; R277-D319 IonicContact NH2-OD1 2.69Å; R277-D319 PolarHBondContact NH2-OD1 2.93Å; R277-D319 VanDerWaalsContact NH2-OD1 3.11Å; R277-D319 IonicContact NH2-OD2 2.75Å; D319-A332 PolarHBondContact O-N 3.43Å; D319-C360 WeakPolarHBondContact OD2-CA 3.46Å; D319-V361 PolarHBondContact OD2-N 3.4Å; D319-V361 VanDerWaalsContact OD2-N 3.15Å
320	V	96.5	Very high	94.7	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	146.2	-175.5	-76.7	0	0	0	0	108.7	A275 R277 L287 A289 V295 V317 L330	A275-V320 HydrophobicContact CB-CG2 3.89Å; R277-V320 HydrophobicContact CG-CG2 3.99Å; R277-V320 WeakPolarHBondContact CG-O 3.44Å; R277-V320 PolarHBondContact NE-O 3.31Å; L287-V320 HydrophobicContact CD2-CB 3.5Å; L287-V320 HydrophobicContact CD2-CG1 3.67Å; L287-V320 HydrophobicContact CD2-CG2 3.36Å; A289-V320 HydrophobicContact CB-CG1 3.78Å; A289-V320 HydrophobicContact CB-CG2 3.97Å; V295-V320 HydrophobicContact CG1-CG1 4.46Å; V295-V320 HydrophobicContact CG2-CG1 4.2Å; V317-V320 HydrophobicContact CG1-CG1 3.96Å; V320-L330 VanDerWaalsContact CA-O 3.24Å; V320-L330 WeakPolarHBondContact CA-O 3.5Å
321	S	96.2	Very high	94.7	Very high	4 Å²	4	27.5 Å²	27.5	3%	0.028	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	133.1	-178.8	-169.2	0	0	0	0	110.9	F329 L330 V361 Q362	S321-F329 CarbonylContact O-C 3.58Å; S321-F329 VanDerWaalsContact O-CA 3.23Å; S321-F329 WeakPolarHBondContact O-CA 3.49Å; S321-F329 WeakPolarHBondContact O-CB 3.47Å; S321-L330 PolarHBondContact N-O 3.35Å; S321-L330 PolarHBondContact O-N 3.01Å; S321-V361 VanDerWaalsContact CB-O 3.24Å; S321-V361 WeakPolarHBondContact CB-O 3.3Å; S321-Q362 PolarHBondContact OG-OE1 2.85Å
322	F	95.9	Very high	94.8	Very high	18 Å²	18	24.9 Å²	24.9	8%	0.079	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	151.9	173.2	-76.2	-73.5	0	0	0	110.6	R277 L278 F279 P280 L287 L297 F329 T343 F363	R277-F322 HydrophobicContact CB-CD2 4.06Å; R277-F322 HydrophobicContact CB-CE2 4.18Å; L278-F322 WeakPolarHBondContact O-CD2 3.39Å; F279-F322 HydrophobicContact CD2-CE1 4.25Å; F279-F322 HydrophobicContact CD2-CZ 4.27Å; P280-F322 HydrophobicContact CG-CB 4.32Å; L287-F322 HydrophobicContact CB-CE1 4.49Å; L287-F322 HydrophobicContact CB-CE2 3.54Å; L287-F322 HydrophobicContact CB-CZ 3.46Å; L287-F322 VanDerWaalsContact CB-CZ 3.46Å; L287-F322 HydrophobicContact CD1-CE1 3.77Å; L287-F322 HydrophobicContact CD1-CE2 4.09Å; L287-F322 HydrophobicContact CD1-CZ 3.55Å; L287-F322 HydrophobicContact CG-CE2 4.46Å; L287-F322 HydrophobicContact CG-CZ 4.16Å; L297-F322 HydrophobicContact CD1-CZ 4.11Å; F322-F329 HydrophobicContact CD1-CB 3.87Å; F322-F329 HydrophobicContact CE1-CB 4.24Å; F322-F329 HydrophobicContact CG-CB 4.49Å; F322-T343 HydrophobicContact CD1-CG2 4.18Å; F322-T343 HydrophobicContact CE1-CG2 3.76Å; F322-F363 WeakPolarHBondContact O-CD2 3.28Å
323	N	94.4	Very high	94.9	Very high	15 Å²	15	24.7 Å²	24.7	8%	0.08	13%	0.125	C	C	.	.			trans	-69.1	171.5	160.3	67.5	-15.4	0	0	0	110.7	P280 D325 G326 T327 A328 F363	P280-N323 WeakPolarHBondContact CG-O 3.35Å; N323-D325 PolarHBondContact O-N 2.93Å; N323-G326 PolarHBondContact O-N 2.86Å; N323-G326 VanDerWaalsContact OD1-C 3.23Å; N323-G326 WeakPolarHBondContact OD1-CA 3.02Å; N323-G326 PolarHBondContact OD1-N 2.86Å; N323-T327 PolarHBondContact ND2-OG1 2.87Å; N323-T327 PolarHBondContact OD1-N 2.86Å; N323-A328 VanDerWaalsContact CG-O 3.3Å; N323-A328 PolarHBondContact N-O 3.01Å; N323-A328 PolarHBondContact ND2-N 2.82Å; N323-A328 PolarHBondContact OD1-N 3.27Å; N323-A328 VanDerWaalsContact OD1-N 3.08Å; N323-A328 PolarHBondContact OD1-O 2.88Å; N323-F363 HydrophobicContact CB-CD1 4.37Å; N323-F363 HydrophobicContact CB-CD2 4.16Å; N323-F363 HydrophobicContact CB-CE1 4.39Å; N323-F363 HydrophobicContact CB-CE2 4.13Å; N323-F363 HydrophobicContact CB-CG 4.24Å; N323-F363 HydrophobicContact CB-CZ 4.23Å
324	S	91.8	Very high	95	Very high	18 Å²	18	28.3 Å²	28.3	13%	0.126	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-31.7	-177.4	59.2	0	0	0	0	114.3	P280 Q370	P280-S324 WeakPolarHBondContact CB-O 3.29Å; P280-S324 WeakPolarHBondContact CG-O 3.45Å; S324-Q370 VanDerWaalsContact CB-NE2 3.34Å; S324-Q370 WeakPolarHBondContact OG-CG 3.29Å; S324-Q370 PolarHBondContact OG-NE2 2.89Å; S324-Q370 PolarHBondContact OG-OE1 2.94Å
325	D	90.5	Very high	95	Very high	86 Å²	86	23.5 Å²	23.5	46%	0.46	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-15.5	-174.5	-61.3	-18.1	0	0	0	112.8	F279 K281 N323 T327	F279-D325 WeakPolarHBondContact CZ-O 3.42Å; K281-D325 IonicContact NZ-OD1 3.42Å; N323-D325 PolarHBondContact O-N 2.93Å; D325-T327 VanDerWaalsContact C-N 3.32Å; D325-T327 HydrophobicContact CB-CG2 4.29Å
326	G	92.7	Very high	95	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.125	C	C	.	.	S	Bend	trans	76	10.8	-177	0	0	0	0	0	115.2	F279 N323 A328 T343	F279-G326 WeakPolarHBondContact CE2-O 3.43Å; N323-G326 PolarHBondContact O-N 2.86Å; N323-G326 VanDerWaalsContact OD1-C 3.23Å; N323-G326 WeakPolarHBondContact OD1-CA 3.02Å; N323-G326 PolarHBondContact OD1-N 2.86Å; G326-A328 VanDerWaalsContact C-N 3.32Å; G326-T343 VanDerWaalsContact O-CG2 3.23Å; G326-T343 WeakPolarHBondContact O-CG2 3.41Å; G326-T343 PolarHBondContact O-OG1 3.06Å
327	T	94.4	Very high	94.9	Very high	64 Å²	64	28 Å²	28	39%	0.393	13%	0.132	S	C	.	.	S	Bend	trans	-74.4	-23.1	174.9	56.6	0	0	0	0	113	N323 D325 T343	N323-T327 PolarHBondContact ND2-OG1 2.87Å; N323-T327 PolarHBondContact OD1-N 2.86Å; D325-T327 VanDerWaalsContact C-N 3.32Å; D325-T327 HydrophobicContact CB-CG2 4.29Å; T327-T343 VanDerWaalsContact C-OG1 3.25Å; T327-T343 WeakPolarHBondContact CA-OG1 3.3Å; T327-T343 PolarHBondContact O-N 3.45Å; T327-T343 PolarHBondContact O-OG1 3Å
328	A	95.5	Very high	94.9	Very high	19 Å²	19	28 Å²	28	16%	0.157	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	155.1	178	0	0	0	0	0	110.9	N323 G326 L340 W341	N323-A328 VanDerWaalsContact CG-O 3.3Å; N323-A328 PolarHBondContact N-O 3.01Å; N323-A328 PolarHBondContact ND2-N 2.82Å; N323-A328 PolarHBondContact OD1-N 3.27Å; N323-A328 VanDerWaalsContact OD1-N 3.08Å; N323-A328 PolarHBondContact OD1-O 2.88Å; G326-A328 VanDerWaalsContact C-N 3.32Å; A328-L340 HydrophobicContact CB-CD1 4.08Å; A328-W341 CarbonylContact C-O 3.54Å; A328-W341 VanDerWaalsContact CA-O 3.22Å; A328-W341 WeakPolarHBondContact CA-O 3.48Å
329	F	96.9	Very high	94.9	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	153.7	171.9	71.4	-83	0	0	0	111.1	L287 V295 Y310 S321 F322 W341 T343	L287-F329 HydrophobicContact CD1-CB 3.96Å; L287-F329 HydrophobicContact CD1-CD1 3.94Å; L287-F329 HydrophobicContact CD1-CD2 3.57Å; L287-F329 HydrophobicContact CD1-CE1 4.25Å; L287-F329 HydrophobicContact CD1-CE2 3.96Å; L287-F329 HydrophobicContact CD1-CG 3.53Å; L287-F329 HydrophobicContact CD1-CZ 4.25Å; V295-F329 HydrophobicContact CB-CE2 4.43Å; V295-F329 HydrophobicContact CG1-CE2 3.83Å; V295-F329 HydrophobicContact CG1-CZ 4.2Å; Y310-F329 HydrophobicContact CD1-CE1 4.04Å; Y310-F329 AromaticContact CD1-CZ 3.73Å; Y310-F329 HydrophobicContact CD1-CZ 3.73Å; Y310-F329 HydrophobicContact CD2-CE1 4.26Å; Y310-F329 AromaticContact CD2-CZ 3.67Å; Y310-F329 HydrophobicContact CD2-CZ 3.67Å; Y310-F329 AromaticContact CE1-CE1 3.57Å; Y310-F329 HydrophobicContact CE1-CE1 3.57Å; Y310-F329 AromaticContact CE1-CZ 3.75Å; Y310-F329 HydrophobicContact CE1-CZ 3.75Å; Y310-F329 AromaticContact CE2-CE1 3.87Å; Y310-F329 HydrophobicContact CE2-CE1 3.87Å; Y310-F329 AromaticContact CE2-CZ 3.73Å; Y310-F329 HydrophobicContact CE2-CZ 3.73Å; Y310-F329 HydrophobicContact CG-CE1 4.37Å; Y310-F329 AromaticContact CG-CZ 3.69Å; Y310-F329 HydrophobicContact CG-CZ 3.69Å; Y310-F329 AromaticContact CZ-CE1 3.5Å; Y310-F329 AromaticContact CZ-CZ 3.78Å; S321-F329 CarbonylContact O-C 3.58Å; S321-F329 VanDerWaalsContact O-CA 3.23Å; S321-F329 WeakPolarHBondContact O-CA 3.49Å; S321-F329 WeakPolarHBondContact O-CB 3.47Å; F322-F329 HydrophobicContact CD1-CB 3.87Å; F322-F329 HydrophobicContact CE1-CB 4.24Å; F322-F329 HydrophobicContact CG-CB 4.49Å; F329-W341 HydrophobicContact CD1-CB 3.67Å; F329-W341 HydrophobicContact CD2-CB 4.22Å; F329-W341 AromaticContact CD2-CD1 3.98Å; F329-W341 HydrophobicContact CD2-CG 4.4Å; F329-W341 HydrophobicContact CE1-CB 3.22Å; F329-W341 AromaticContact CE1-CG 3.96Å; F329-W341 HydrophobicContact CE1-CG 3.96Å; F329-W341 HydrophobicContact CE2-CB 3.77Å; F329-W341 AromaticContact CE2-CD1 3.37Å; F329-W341 AromaticContact CE2-CG 3.67Å; F329-W341 HydrophobicContact CE2-CG 3.67Å; F329-W341 HydrophobicContact CG-CB 4.2Å; F329-W341 HydrophobicContact CZ-CB 3.27Å; F329-W341 AromaticContact CZ-CD1 3.66Å; F329-W341 HydrophobicContact CZ-CD2 4.25Å; F329-W341 AromaticContact CZ-CG 3.44Å; F329-W341 HydrophobicContact CZ-CG 3.44Å; F329-W341 VanDerWaalsContact CZ-CG 3.44Å; F329-W341 PolarHBondContact N-O 3.41Å; F329-W341 PolarHBondContact O-N 2.55Å; F329-T343 HydrophobicContact CB-CG2 4.47Å; F329-T343 HydrophobicContact CD1-CG2 3.42Å; F329-T343 VanDerWaalsContact CD1-CG2 3.42Å; F329-T343 HydrophobicContact CE1-CG2 4.08Å; F329-T343 HydrophobicContact CG-CG2 4.39Å
330	L	96.9	Very high	94.9	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	144.2	172.2	-70.1	161.5	0	0	0	109.6	V320 S321 V338 K339 L340 F352 V361 F363 F373	V320-L330 VanDerWaalsContact CA-O 3.24Å; V320-L330 WeakPolarHBondContact CA-O 3.5Å; S321-L330 PolarHBondContact N-O 3.35Å; S321-L330 PolarHBondContact O-N 3.01Å; L330-V338 HydrophobicContact CB-CG1 4.3Å; L330-V338 HydrophobicContact CD2-CG1 3.74Å; L330-K339 CarbonylContact C-O 3.51Å; L330-K339 WeakPolarHBondContact CA-O 3.31Å; L330-L340 HydrophobicContact CD2-CB 3.86Å; L330-L340 HydrophobicContact CD2-CD1 3.71Å; L330-L340 HydrophobicContact CD2-CG 4.38Å; L330-L340 HydrophobicContact CG-CD1 4Å; L330-F352 HydrophobicContact CD2-CE2 4.18Å; L330-V361 HydrophobicContact CB-CG1 3.61Å; L330-V361 HydrophobicContact CD1-CG1 3.55Å; L330-V361 HydrophobicContact CG-CG1 4.19Å; L330-F363 HydrophobicContact CB-CE2 4.04Å; L330-F363 HydrophobicContact CD1-CD1 4.11Å; L330-F363 HydrophobicContact CD1-CD2 3.73Å; L330-F363 HydrophobicContact CD1-CE1 3.75Å; L330-F363 HydrophobicContact CD1-CE2 3.37Å; L330-F363 HydrophobicContact CD1-CG 4.11Å; L330-F363 HydrophobicContact CD1-CZ 3.38Å; L330-F363 HydrophobicContact CD2-CZ 4.31Å; L330-F363 HydrophobicContact CG-CD2 4.18Å; L330-F363 HydrophobicContact CG-CE1 4.26Å; L330-F363 HydrophobicContact CG-CE2 3.38Å; L330-F363 HydrophobicContact CG-CZ 3.43Å; L330-F363 VanDerWaalsContact CG-CZ 3.43Å; L330-F373 HydrophobicContact CD1-CB 3.51Å; L330-F373 HydrophobicContact CD1-CD1 3.86Å; L330-F373 HydrophobicContact CD1-CD2 3.51Å; L330-F373 HydrophobicContact CD1-CE1 4.43Å; L330-F373 HydrophobicContact CD1-CE2 4.11Å; L330-F373 HydrophobicContact CD1-CG 3.35Å; L330-F373 HydrophobicContact CD2-CE1 4.41Å; L330-F373 HydrophobicContact CD2-CE2 4.35Å; L330-F373 HydrophobicContact CD2-CZ 4.27Å
331	S	96.6	Very high	94.9	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	127.4	170.1	57.4	0	0	0	0	110.4	H313 V338 K339 W341	H313-S331 PolarHBondContact NE2-OG 3.04Å; S331-V338 VanDerWaalsContact O-CA 3.29Å; S331-V338 WeakPolarHBondContact O-CA 3.3Å; S331-K339 PolarHBondContact N-O 3.31Å; S331-K339 PolarHBondContact O-N 3.15Å; S331-W341 PolarHBondContact OG-NE1 3.02Å
332	A	96.3	Very high	94.9	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	132.1	173.1	0	0	0	0	0	110.8	V317 R318 D319 V338 A358 V361	V317-A332 CarbonylContact C-O 3.57Å; V317-A332 WeakPolarHBondContact CA-O 3.41Å; V317-A332 WeakPolarHBondContact CG1-O 3.18Å; R318-A332 PolarHBondContact N-O 2.76Å; D319-A332 PolarHBondContact O-N 3.43Å; A332-V338 HydrophobicContact CB-CG2 4.14Å; A332-A358 HydrophobicContact CB-CB 3.8Å; A332-V361 HydrophobicContact CB-CB 4.43Å; A332-V361 HydrophobicContact CB-CG2 3.39Å
333	S	95.6	Very high	94.9	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	158.1	-178.1	169.9	0	0	0	0	112	H313 Q315 A316 D335 R336 Y337	H313-S333 VanDerWaalsContact CE1-CB 3.48Å; H313-S333 WeakPolarHBondContact CE1-CB 3.46Å; H313-S333 WeakPolarHBondContact ND1-CB 3.39Å; Q315-S333 PolarHBondContact O-OG 2.79Å; A316-S333 WeakPolarHBondContact O-CA 3.42Å; A316-S333 PolarHBondContact O-OG 2.87Å; S333-D335 WeakPolarHBondContact CB-OD1 3.48Å; S333-D335 PolarHBondContact O-N 3.16Å; S333-D335 PolarHBondContact OG-N 3.34Å; S333-D335 PolarHBondContact OG-OD1 3.28Å; S333-D335 PolarHBondContact OG-OD2 2.75Å; S333-R336 PolarHBondContact O-N 2.81Å; S333-Y337 PolarHBondContact N-O 3.25Å
334	Y	95.1	Very high	94.8	Very high	82 Å²	82	29.5 Å²	29.5	32%	0.322	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-13	171.9	-70.7	-78.3	0	0	0	113.2	Q315 A316 R318 R336 V357 Y359	Q315-Y334 PolarHBondContact OE1-O 2.86Å; Q315-Y334 VanDerWaalsContact OE1-O 3.07Å; A316-Y334 HydrophobicContact CB-CD2 3.82Å; A316-Y334 HydrophobicContact CB-CE2 4.28Å; A316-Y334 VanDerWaalsContact O-CD2 3.29Å; A316-Y334 WeakPolarHBondContact O-CD2 3.11Å; A316-Y334 PolarHBondContact O-N 2.88Å; A316-Y334 VanDerWaalsContact O-N 3.08Å; R318-Y334 HydrophobicContact CB-CD2 4.4Å; R318-Y334 HydrophobicContact CB-CE2 3.91Å; R318-Y334 WeakPolarHBondContact CD-OH 2.94Å; R318-Y334 HydrophobicContact CG-CE2 4.34Å; Y334-R336 PolarHBondContact O-N 3.09Å; Y334-R336 VanDerWaalsContact O-N 3.14Å; Y334-V357 HydrophobicContact CD1-CG1 3.6Å; Y334-V357 HydrophobicContact CD1-CG2 4.38Å; Y334-V357 HydrophobicContact CE1-CG1 4.08Å; Y334-V357 HydrophobicContact CG-CG1 4.36Å; Y334-Y359 HydrophobicContact CE1-CE1 4.05Å
335	D	92.5	Very high	94.8	Very high	17 Å²	17	30.5 Å²	30.5	9%	0.091	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-1.1	173.3	61.1	23.9	0	0	0	114.3	H313 R314 Q315 S333 Y337	H313-D335 VanDerWaalsContact CA-OD2 3.27Å; H313-D335 WeakPolarHBondContact CA-OD2 3.31Å; H313-D335 WeakPolarHBondContact CB-OD2 3.12Å; H313-D335 IonicContact CG-OD2 3.72Å; H313-D335 IonicContact ND1-OD1 2.7Å; H313-D335 PolarHBondContact ND1-OD1 3.32Å; H313-D335 IonicContact ND1-OD2 3.51Å; H313-D335 PolarHBondContact ND1-OD2 3.38Å; R314-D335 HydrophobicContact CB-CB 4.13Å; R314-D335 PolarHBondContact N-OD2 3.5Å; Q315-D335 HydrophobicContact CB-CB 4.14Å; Q315-D335 HydrophobicContact CG-CB 4.1Å; S333-D335 WeakPolarHBondContact CB-OD1 3.48Å; S333-D335 PolarHBondContact O-N 3.16Å; S333-D335 PolarHBondContact OG-N 3.34Å; S333-D335 PolarHBondContact OG-OD1 3.28Å; S333-D335 PolarHBondContact OG-OD2 2.75Å; D335-Y337 VanDerWaalsContact C-N 3.27Å; D335-Y337 HydrophobicContact CB-CD2 4.44Å; D335-Y337 WeakPolarHBondContact O-CD2 3.04Å; D335-Y337 WeakPolarHBondContact OD1-CB 2.91Å; D335-Y337 PolarHBondContact OD1-N 2.79Å
336	R	93.6	Very high	94.9	Very high	124 Å²	124	26.5 Å²	26.5	47%	0.468	13%	0.127	S	C	.	.	S	Bend	trans	72.2	14.6	-178.3	-46.2	169.8	-69.6	-177.9	0.5	114.1	S333 Y334 L354 V357	S333-R336 PolarHBondContact O-N 2.81Å; Y334-R336 PolarHBondContact O-N 3.09Å; Y334-R336 VanDerWaalsContact O-N 3.14Å; R336-L354 WeakPolarHBondContact CB-O 3.29Å; R336-L354 VanDerWaalsContact O-CB 3.31Å; R336-L354 WeakPolarHBondContact O-CB 3.32Å; R336-L354 PolarHBondContact O-N 3.25Å; R336-V357 HydrophobicContact CG-CG2 4.17Å
337	Y	94.4	Very high	94.9	Very high	79 Å²	79	33.5 Å²	33.5	31%	0.31	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	139.6	170	-68.9	-93.1	0	0	0	110.6	H313 S333 D335 F352 N353	H313-Y337 PolarHBondContact CE1-O 2.78Å; S333-Y337 PolarHBondContact N-O 3.25Å; D335-Y337 VanDerWaalsContact C-N 3.27Å; D335-Y337 HydrophobicContact CB-CD2 4.44Å; D335-Y337 WeakPolarHBondContact O-CD2 3.04Å; D335-Y337 WeakPolarHBondContact OD1-CB 2.91Å; D335-Y337 PolarHBondContact OD1-N 2.79Å; Y337-F352 WeakPolarHBondContact CA-O 3.39Å; Y337-N353 HydrophobicContact CD1-CB 4.28Å; Y337-N353 HydrophobicContact CE1-CB 3.84Å
338	V	95.7	Very high	94.9	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.006	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	128	158.1	173.9	0	0	0	0	107	L330 S331 A332 F352 L354 A358 V361 F373 V375	L330-V338 HydrophobicContact CB-CG1 4.3Å; L330-V338 HydrophobicContact CD2-CG1 3.74Å; S331-V338 VanDerWaalsContact O-CA 3.29Å; S331-V338 WeakPolarHBondContact O-CA 3.3Å; A332-V338 HydrophobicContact CB-CG2 4.14Å; V338-F352 HydrophobicContact CB-CB 4.33Å; V338-F352 HydrophobicContact CB-CD2 4.34Å; V338-F352 HydrophobicContact CG1-CD2 4.22Å; V338-F352 PolarHBondContact N-O 3.15Å; V338-F352 WeakPolarHBondContact O-CD2 3.17Å; V338-F352 PolarHBondContact O-N 3.07Å; V338-L354 HydrophobicContact CG2-CD1 3.66Å; V338-A358 HydrophobicContact CG2-CB 4Å; V338-V361 HydrophobicContact CG1-CG2 4.34Å; V338-V361 HydrophobicContact CG2-CG2 3.97Å; V338-F373 HydrophobicContact CG1-CE2 4.06Å; V338-V375 HydrophobicContact CG2-CG1 4.23Å; V338-V375 HydrophobicContact CG2-CG2 4.37Å
339	K	95.5	Very high	94.8	Very high	9 Å²	9	34.1 Å²	34.1	4%	0.039	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	134	-179.5	-66.9	-171.5	175.6	-160.1	0	109.6	E217 G312 L330 S331 W341 Q351	E217-K339 VanDerWaalsContact OE1-CD 3.31Å; E217-K339 WeakPolarHBondContact OE1-CD 3.09Å; E217-K339 WeakPolarHBondContact OE1-CE 3.31Å; E217-K339 IonicContact OE1-NZ 2.82Å; E217-K339 PolarHBondContact OE1-NZ 3.44Å; G312-K339 PolarHBondContact O-NZ 2.99Å; L330-K339 CarbonylContact C-O 3.51Å; L330-K339 WeakPolarHBondContact CA-O 3.31Å; S331-K339 PolarHBondContact N-O 3.31Å; S331-K339 PolarHBondContact O-N 3.15Å; K339-W341 HydrophobicContact CB-CZ2 4.2Å; K339-W341 VanDerWaalsContact CB-NE1 3.34Å; K339-W341 HydrophobicContact CD-CZ2 3.79Å; K339-Q351 HydrophobicContact CD-CG 4.5Å; K339-Q351 HydrophobicContact CG-CG 4.2Å
340	L	96.5	Very high	94.6	Very high	15 Å²	15	37.3 Å²	37.3	8%	0.079	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	124.6	171.6	-178.4	66.7	0	0	0	108.1	A328 L330 C348 T349 N350 F352 F363 T387	A328-L340 HydrophobicContact CB-CD1 4.08Å; L330-L340 HydrophobicContact CD2-CB 3.86Å; L330-L340 HydrophobicContact CD2-CD1 3.71Å; L330-L340 HydrophobicContact CD2-CG 4.38Å; L330-L340 HydrophobicContact CG-CD1 4Å; L340-C348 CarbonylContact O-C 3.43Å; L340-C348 WeakPolarHBondContact O-CA 3.5Å; L340-C348 PolarHBondContact O-SG 2.82Å; L340-T349 WeakPolarHBondContact CB-OG1 3.47Å; L340-T349 WeakPolarHBondContact CD2-OG1 3.09Å; L340-T349 WeakPolarHBondContact CG-OG1 3.19Å; L340-T349 PolarHBondContact O-N 3.03Å; L340-T349 PolarHBondContact O-OG1 2.82Å; L340-T349 VanDerWaalsContact O-OG1 3.14Å; L340-N350 HydrophobicContact CB-CB 4.25Å; L340-N350 HydrophobicContact CD2-CB 4.4Å; L340-N350 PolarHBondContact N-O 3.11Å; L340-F352 HydrophobicContact CB-CE2 4.11Å; L340-F363 HydrophobicContact CD1-CE1 4.45Å; L340-F363 HydrophobicContact CD1-CE2 4.47Å; L340-F363 HydrophobicContact CD1-CZ 3.6Å; L340-T387 HydrophobicContact CD2-CG2 3.92Å
341	W	96.4	Very high	94.4	Very high	3 Å²	3	41.9 Å²	41.9	1%	0.011	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	140	-177.5	-62	91.5	0	0	0	109.8	E217 Y310 A328 F329 S331 K339 C348	E217-W341 HydrophobicContact CB-CH2 4.19Å; E217-W341 HydrophobicContact CG-CH2 4.47Å; Y310-W341 HydrophobicContact CD1-CD2 4.25Å; Y310-W341 AromaticContact CD1-CE3 3.86Å; Y310-W341 HydrophobicContact CD1-CE3 3.86Å; Y310-W341 HydrophobicContact CD1-CZ3 4.44Å; A328-W341 CarbonylContact C-O 3.54Å; A328-W341 VanDerWaalsContact CA-O 3.22Å; A328-W341 WeakPolarHBondContact CA-O 3.48Å; F329-W341 HydrophobicContact CD1-CB 3.67Å; F329-W341 HydrophobicContact CD2-CB 4.22Å; F329-W341 AromaticContact CD2-CD1 3.98Å; F329-W341 HydrophobicContact CD2-CG 4.4Å; F329-W341 HydrophobicContact CE1-CB 3.22Å; F329-W341 AromaticContact CE1-CG 3.96Å; F329-W341 HydrophobicContact CE1-CG 3.96Å; F329-W341 HydrophobicContact CE2-CB 3.77Å; F329-W341 AromaticContact CE2-CD1 3.37Å; F329-W341 AromaticContact CE2-CG 3.67Å; F329-W341 HydrophobicContact CE2-CG 3.67Å; F329-W341 HydrophobicContact CG-CB 4.2Å; F329-W341 HydrophobicContact CZ-CB 3.27Å; F329-W341 AromaticContact CZ-CD1 3.66Å; F329-W341 HydrophobicContact CZ-CD2 4.25Å; F329-W341 AromaticContact CZ-CG 3.44Å; F329-W341 HydrophobicContact CZ-CG 3.44Å; F329-W341 VanDerWaalsContact CZ-CG 3.44Å; F329-W341 PolarHBondContact N-O 3.41Å; F329-W341 PolarHBondContact O-N 2.55Å; S331-W341 PolarHBondContact OG-NE1 3.02Å; K339-W341 HydrophobicContact CB-CZ2 4.2Å; K339-W341 VanDerWaalsContact CB-NE1 3.34Å; K339-W341 HydrophobicContact CD-CZ2 3.79Å; W341-C348 HydrophobicContact CD2-CB 4.23Å; W341-C348 HydrophobicContact CE3-CB 3.83Å; W341-C348 HydrophobicContact CH2-CB 4.03Å; W341-C348 HydrophobicContact CZ2-CB 4.42Å; W341-C348 HydrophobicContact CZ3-CB 3.72Å
342	D	95.7	Very high	94.3	Very high	43 Å²	43	42 Å²	42	23%	0.23	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	124.4	162.6	175.3	6	0	0	0	108.8	E344 S345 G346 K347 T349	D342-E344 VanDerWaalsContact C-N 3.3Å; D342-E344 PolarHBondContact O-N 3.38Å; D342-E344 PolarHBondContact OD1-N 2.96Å; D342-S345 WeakPolarHBondContact CB-OG 3.42Å; D342-S345 VanDerWaalsContact CG-OG 3.26Å; D342-S345 WeakPolarHBondContact OD2-CB 3.11Å; D342-S345 PolarHBondContact OD2-N 3.14Å; D342-S345 PolarHBondContact OD2-OG 2.92Å; D342-G346 WeakPolarHBondContact O-CA 3.23Å; D342-G346 PolarHBondContact O-N 2.95Å; D342-K347 PolarHBondContact N-O 2.79Å; D342-T349 HydrophobicContact CB-CG2 4.1Å
343	T	95.1	Very high	94.1	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-31.4	-177.9	50.8	0	0	0	0	112.2	F234 L235 Y310 F322 G326 T327 F329	F234-T343 WeakPolarHBondContact CZ-O 3.37Å; L235-T343 VanDerWaalsContact CD1-OG1 3.27Å; L235-T343 WeakPolarHBondContact CD1-OG1 3.38Å; Y310-T343 WeakPolarHBondContact OH-CA 3.37Å; Y310-T343 PolarHBondContact OH-O 2.87Å; F322-T343 HydrophobicContact CD1-CG2 4.18Å; F322-T343 HydrophobicContact CE1-CG2 3.76Å; G326-T343 VanDerWaalsContact O-CG2 3.23Å; G326-T343 WeakPolarHBondContact O-CG2 3.41Å; G326-T343 PolarHBondContact O-OG1 3.06Å; T327-T343 VanDerWaalsContact C-OG1 3.25Å; T327-T343 WeakPolarHBondContact CA-OG1 3.3Å; T327-T343 PolarHBondContact O-N 3.45Å; T327-T343 PolarHBondContact O-OG1 3Å; F329-T343 HydrophobicContact CB-CG2 4.47Å; F329-T343 HydrophobicContact CD1-CG2 3.42Å; F329-T343 VanDerWaalsContact CD1-CG2 3.42Å; F329-T343 HydrophobicContact CE1-CG2 4.08Å; F329-T343 HydrophobicContact CG-CG2 4.39Å
344	E	92.3	Very high	93.9	Very high	59 Å²	59	47.1 Å²	47.1	28%	0.276	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-58.2	-175.8	-57.8	-171.5	-157.9	0	0	111	N233 L235 R308 D342 G346	N233-E344 PolarHBondContact ND2-OE1 2.85Å; N233-E344 PolarHBondContact ND2-OE2 2.85Å; L235-E344 HydrophobicContact CD1-CG 3.35Å; L235-E344 VanDerWaalsContact CD1-OE1 3.27Å; L235-E344 WeakPolarHBondContact CD1-OE1 3.46Å; L235-E344 HydrophobicContact CG-CG 3.8Å; R308-E344 PolarHBondContact NH1-O 2.72Å; D342-E344 VanDerWaalsContact C-N 3.3Å; D342-E344 PolarHBondContact O-N 3.38Å; D342-E344 PolarHBondContact OD1-N 2.96Å; E344-G346 VanDerWaalsContact C-N 3.33Å
345	S	91.9	Very high	93.6	Very high	39 Å²	39	51.5 Å²	51.5	27%	0.273	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-20.6	-175.5	76.1	0	0	0	0	112.9	R308 D342 K347	R308-S345 VanDerWaalsContact CZ-C 3.45Å; R308-S345 PolarHBondContact NH1-O 2.98Å; R308-S345 PolarHBondContact NH2-O 2.79Å; D342-S345 WeakPolarHBondContact CB-OG 3.42Å; D342-S345 VanDerWaalsContact CG-OG 3.26Å; D342-S345 WeakPolarHBondContact OD2-CB 3.11Å; D342-S345 PolarHBondContact OD2-N 3.14Å; D342-S345 PolarHBondContact OD2-OG 2.92Å; S345-K347 PolarHBondContact O-N 2.95Å; S345-K347 PolarHBondContact OG-N 2.83Å
346	G	92.3	Very high	93.6	Very high	2 Å²	2	56.9 Å²	56.9	2%	0.021	27%	0.267	C	S	.	.			trans	59.2	23.9	-172.9	0	0	0	0	0	115.2	S219 D342 E344	S219-G346 WeakPolarHBondContact CB-O 3.05Å; S219-G346 VanDerWaalsContact OG-C 3.32Å; S219-G346 WeakPolarHBondContact OG-CA 3.38Å; S219-G346 PolarHBondContact OG-O 3.21Å; D342-G346 WeakPolarHBondContact O-CA 3.23Å; D342-G346 PolarHBondContact O-N 2.95Å; E344-G346 VanDerWaalsContact C-N 3.33Å
347	K	94	Very high	93.7	Very high	147 Å²	147	52.4 Å²	52.4	64%	0.639	25%	0.253	S	S	*	.			trans	-81.4	139.7	167.5	-65.3	179.2	179.5	178.9	0	109	D342 S345 T349	D342-K347 PolarHBondContact N-O 2.79Å; S345-K347 PolarHBondContact O-N 2.95Å; S345-K347 PolarHBondContact OG-N 2.83Å; K347-T349 PolarHBondContact O-N 2.85Å
348	C	94.1	Very high	93.7	Very high	23 Å²	23	48.7 Å²	48.7	16%	0.155	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	117.1	164.1	-172	0	0	0	0	106.9	E217 L340 W341 N350	E217-C348 HydrophobicContact CB-CB 4.47Å; E217-C348 VanDerWaalsContact CD-CB 3.46Å; E217-C348 HydrophobicContact CG-CB 4.49Å; E217-C348 PolarHBondContact OE1-SG 2.89Å; E217-C348 VanDerWaalsContact OE1-SG 3.34Å; E217-C348 WeakPolarHBondContact OE2-CB 3.22Å; L340-C348 CarbonylContact O-C 3.43Å; L340-C348 WeakPolarHBondContact O-CA 3.5Å; L340-C348 PolarHBondContact O-SG 2.82Å; W341-C348 HydrophobicContact CD2-CB 4.23Å; W341-C348 HydrophobicContact CE3-CB 3.83Å; W341-C348 HydrophobicContact CH2-CB 4.03Å; W341-C348 HydrophobicContact CZ2-CB 4.42Å; W341-C348 HydrophobicContact CZ3-CB 3.72Å; C348-N350 PolarHBondContact SG-O 3.07Å; C348-N350 VanDerWaalsContact SG-O 3.38Å
349	T	93	Very high	93.7	Very high	73 Å²	73	51.7 Å²	51.7	45%	0.448	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	-45.7	-179	53.1	0	0	0	0	110.6	L340 D342 K347	L340-T349 WeakPolarHBondContact CB-OG1 3.47Å; L340-T349 WeakPolarHBondContact CD2-OG1 3.09Å; L340-T349 WeakPolarHBondContact CG-OG1 3.19Å; L340-T349 PolarHBondContact O-N 3.03Å; L340-T349 PolarHBondContact O-OG1 2.82Å; L340-T349 VanDerWaalsContact O-OG1 3.14Å; D342-T349 HydrophobicContact CB-CG2 4.1Å; K347-T349 PolarHBondContact O-N 2.85Å
350	N	93.1	Very high	93.6	Very high	68 Å²	68	51.6 Å²	51.6	36%	0.364	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	153.9	-179.9	-80.1	-26.6	0	0	0	111.9	L340 C348 F352 T387	L340-N350 HydrophobicContact CB-CB 4.25Å; L340-N350 HydrophobicContact CD2-CB 4.4Å; L340-N350 PolarHBondContact N-O 3.11Å; C348-N350 PolarHBondContact SG-O 3.07Å; C348-N350 VanDerWaalsContact SG-O 3.38Å; N350-F352 HydrophobicContact CB-CE2 4.2Å; N350-F352 HydrophobicContact CB-CZ 4.04Å; N350-T387 PolarHBondContact ND2-O 3.38Å
351	Q	92.8	Very high	93.6	Very high	95 Å²	95	51 Å²	51	44%	0.444	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	132.2	174.9	-55.6	174.8	22.7	0	0	109.4	E217 K339	E217-Q351 VanDerWaalsContact OE1-CD 3.23Å; E217-Q351 PolarHBondContact OE1-NE2 2.67Å; E217-Q351 PolarHBondContact OE2-NE2 3.27Å; K339-Q351 HydrophobicContact CD-CG 4.5Å; K339-Q351 HydrophobicContact CG-CG 4.2Å
352	F	94	Very high	93.6	Very high	4 Å²	4	53 Å²	53	2%	0.018	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	115.2	178.4	-50.4	-90.1	0	0	0	109	L330 Y337 V338 L340 N350 F373 Y385 T387	L330-F352 HydrophobicContact CD2-CE2 4.18Å; Y337-F352 WeakPolarHBondContact CA-O 3.39Å; V338-F352 HydrophobicContact CB-CB 4.33Å; V338-F352 HydrophobicContact CB-CD2 4.34Å; V338-F352 HydrophobicContact CG1-CD2 4.22Å; V338-F352 PolarHBondContact N-O 3.15Å; V338-F352 WeakPolarHBondContact O-CD2 3.17Å; V338-F352 PolarHBondContact O-N 3.07Å; L340-F352 HydrophobicContact CB-CE2 4.11Å; N350-F352 HydrophobicContact CB-CE2 4.2Å; N350-F352 HydrophobicContact CB-CZ 4.04Å; F352-F373 HydrophobicContact CD1-CE1 4.44Å; F352-F373 AromaticContact CD1-CZ 3.95Å; F352-F373 HydrophobicContact CD1-CZ 3.95Å; F352-F373 HydrophobicContact CD2-CE1 4.27Å; F352-F373 HydrophobicContact CD2-CE2 4.42Å; F352-F373 AromaticContact CD2-CZ 3.54Å; F352-F373 HydrophobicContact CD2-CZ 3.54Å; F352-F373 AromaticContact CE1-CE1 3.89Å; F352-F373 HydrophobicContact CE1-CE1 3.89Å; F352-F373 AromaticContact CE1-CZ 3.85Å; F352-F373 HydrophobicContact CE1-CZ 3.85Å; F352-F373 AromaticContact CE2-CE1 3.73Å; F352-F373 HydrophobicContact CE2-CE1 3.73Å; F352-F373 AromaticContact CE2-CZ 3.48Å; F352-F373 HydrophobicContact CE2-CZ 3.48Å; F352-F373 VanDerWaalsContact CE2-CZ 3.48Å; F352-F373 AromaticContact CG-CZ 3.8Å; F352-F373 HydrophobicContact CG-CZ 3.8Å; F352-F373 AromaticContact CZ-CE1 3.54Å; F352-F373 HydrophobicContact CZ-CE1 3.54Å; F352-F373 AromaticContact CZ-CZ 3.66Å; F352-F373 HydrophobicContact CZ-CZ 3.66Å; F352-Y385 HydrophobicContact CB-CE1 4.41Å; F352-Y385 AromaticContact CD1-CD1 3.74Å; F352-Y385 HydrophobicContact CD1-CD1 3.74Å; F352-Y385 HydrophobicContact CD1-CE1 4.24Å; F352-Y385 HydrophobicContact CD1-CG 4.25Å; F352-Y385 HydrophobicContact CE1-CD1 4.4Å; F352-Y385 HydrophobicContact CG-CD1 4.46Å; F352-T387 HydrophobicContact CZ-CG2 4.29Å
353	N	92.2	Very high	93.6	Very high	102 Å²	102	51.3 Å²	51.3	55%	0.545	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	121.1	178.8	-175.8	-1.4	0	0	0	110.3	Y337	Y337-N353 HydrophobicContact CD1-CB 4.28Å; Y337-N353 HydrophobicContact CE1-CB 3.84Å
354	L	91.4	Very high	93.5	Very high	4 Å²	4	51.3 Å²	51.3	2%	0.021	25%	0.247	C	C	.	.			trans	-104.2	146.1	178.2	-60.2	154.2	0	0	0	110.7	R336 V338 R356 A358 V375 L383 Y385	R336-L354 WeakPolarHBondContact CB-O 3.29Å; R336-L354 VanDerWaalsContact O-CB 3.31Å; R336-L354 WeakPolarHBondContact O-CB 3.32Å; R336-L354 PolarHBondContact O-N 3.25Å; V338-L354 HydrophobicContact CG2-CD1 3.66Å; L354-R356 WeakPolarHBondContact CB-O 3.39Å; L354-R356 PolarHBondContact O-N 2.92Å; L354-A358 HydrophobicContact CD1-CB 3.66Å; L354-V375 HydrophobicContact CD1-CG1 4.08Å; L354-V375 HydrophobicContact CD2-CG1 4.32Å; L354-L383 HydrophobicContact CD2-CD1 3.74Å; L354-Y385 HydrophobicContact CD2-CE2 3.76Å; L354-Y385 WeakPolarHBondContact CD2-OH 3.4Å
355	K	89.5	Confident	93.6	Very high	174 Å²	174	50.5 Å²	50.5	76%	0.757	25%	0.247	S	C	*	.	S	Bend	trans	-67.9	-22.8	173	-66.6	-178.1	-179.8	177	0	112.8
356	R	92.8	Very high	93.6	Very high	131 Å²	131	50.2 Å²	50.2	49%	0.494	24%	0.243	S	C	.	.	S	Bend	trans	-139.9	164.3	-176.7	-63.4	-62.7	-178.3	-104.2	3.2	110.1	L354 A378 D379	L354-R356 WeakPolarHBondContact CB-O 3.39Å; L354-R356 PolarHBondContact O-N 2.92Å; R356-A378 HydrophobicContact CB-CB 4.38Å; R356-D379 HydrophobicContact CB-CB 4.04Å; R356-D379 HydrophobicContact CG-CB 3.63Å; R356-D379 IonicContact NE-OD1 3.42Å
357	V	94.4	Very high	93.6	Very high	30 Å²	30	56.5 Å²	56.5	18%	0.182	27%	0.272	C	S	.	.			trans	-62.7	139.2	179.9	175	0	0	0	0	111.2	Y334 R336 Y359 C377 A378	Y334-V357 HydrophobicContact CD1-CG1 3.6Å; Y334-V357 HydrophobicContact CD1-CG2 4.38Å; Y334-V357 HydrophobicContact CE1-CG1 4.08Å; Y334-V357 HydrophobicContact CG-CG1 4.36Å; R336-V357 HydrophobicContact CG-CG2 4.17Å; V357-Y359 HydrophobicContact CG1-CE1 4.38Å; V357-C377 WeakPolarHBondContact O-CA 3.32Å; V357-A378 PolarHBondContact O-N 2.79Å
358	A	95.2	Very high	93.5	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	128.6	167	0	0	0	0	0	110.4	A332 V338 L354 V375	A332-A358 HydrophobicContact CB-CB 3.8Å; V338-A358 HydrophobicContact CG2-CB 4Å; L354-A358 HydrophobicContact CD1-CB 3.66Å; A358-V375 HydrophobicContact CB-CG1 3.43Å; A358-V375 VanDerWaalsContact CB-CG1 3.43Å
359	Y	94.9	Very high	93.4	Very high	64 Å²	64	58.3 Å²	58.3	25%	0.251	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	-36.6	176.3	-73.2	-58.9	0	0	0	113	R318 Y334 V357 G376 A378 A402 V403	R318-Y359 WeakPolarHBondContact CG-O 3.41Å; Y334-Y359 HydrophobicContact CE1-CE1 4.05Å; V357-Y359 HydrophobicContact CG1-CE1 4.38Å; Y359-G376 PolarHBondContact N-O 2.96Å; Y359-A378 HydrophobicContact CD2-CB 4.26Å; Y359-A378 HydrophobicContact CE2-CB 3.55Å; Y359-A402 HydrophobicContact CD2-CB 4.06Å; Y359-A402 HydrophobicContact CE2-CB 3.63Å; Y359-V403 WeakPolarHBondContact CB-O 3.23Å
360	C	94.4	Very high	93.4	Very high	7 Å²	7	56.2 Å²	56.2	5%	0.047	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	149.3	177.6	58.6	0	0	0	0	111	D319 G376 N404	D319-C360 WeakPolarHBondContact OD2-CA 3.46Å; C360-G376 PolarHBondContact O-N 2.94Å; C360-N404 WeakPolarHBondContact CB-O 3.18Å
361	V	96	Very high	93.4	Very high	2 Å²	2	55 Å²	55	1%	0.012	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	136.5	174.8	176.5	0	0	0	0	108.6	D319 S321 L330 A332 V338 F373 L374 V375	D319-V361 PolarHBondContact OD2-N 3.4Å; D319-V361 VanDerWaalsContact OD2-N 3.15Å; S321-V361 VanDerWaalsContact CB-O 3.24Å; S321-V361 WeakPolarHBondContact CB-O 3.3Å; L330-V361 HydrophobicContact CB-CG1 3.61Å; L330-V361 HydrophobicContact CD1-CG1 3.55Å; L330-V361 HydrophobicContact CG-CG1 4.19Å; A332-V361 HydrophobicContact CB-CB 4.43Å; A332-V361 HydrophobicContact CB-CG2 3.39Å; V338-V361 HydrophobicContact CG1-CG2 4.34Å; V338-V361 HydrophobicContact CG2-CG2 3.97Å; V361-F373 HydrophobicContact CG1-CD2 4.15Å; V361-L374 WeakPolarHBondContact CA-O 3.21Å; V361-V375 HydrophobicContact CG2-CG1 4.25Å; V361-V375 HydrophobicContact CG2-CG2 4.27Å
362	Q	95.9	Very high	93.5	Very high	47 Å²	47	51.4 Å²	51.4	22%	0.22	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	126.4	176.8	-167.2	63.2	8.9	0	0	110.4	S321 F373 L374 F408	S321-Q362 PolarHBondContact OG-OE1 2.85Å; Q362-F373 WeakPolarHBondContact O-CA 3.45Å; Q362-L374 PolarHBondContact N-O 3.44Å; Q362-L374 PolarHBondContact O-N 3.35Å; Q362-F408 HydrophobicContact CB-CE2 4.11Å; Q362-F408 HydrophobicContact CG-CD2 3.67Å; Q362-F408 HydrophobicContact CG-CE2 3.59Å
363	F	95.5	Very high	93.6	Very high	7 Å²	7	51.2 Å²	51.2	3%	0.031	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	149.3	167.9	-86	-77.1	0	0	0	111.1	F322 N323 L330 L340 P365 Q370 F373 T387 F408	F322-F363 WeakPolarHBondContact O-CD2 3.28Å; N323-F363 HydrophobicContact CB-CD1 4.37Å; N323-F363 HydrophobicContact CB-CD2 4.16Å; N323-F363 HydrophobicContact CB-CE1 4.39Å; N323-F363 HydrophobicContact CB-CE2 4.13Å; N323-F363 HydrophobicContact CB-CG 4.24Å; N323-F363 HydrophobicContact CB-CZ 4.23Å; L330-F363 HydrophobicContact CB-CE2 4.04Å; L330-F363 HydrophobicContact CD1-CD1 4.11Å; L330-F363 HydrophobicContact CD1-CD2 3.73Å; L330-F363 HydrophobicContact CD1-CE1 3.75Å; L330-F363 HydrophobicContact CD1-CE2 3.37Å; L330-F363 HydrophobicContact CD1-CG 4.11Å; L330-F363 HydrophobicContact CD1-CZ 3.38Å; L330-F363 HydrophobicContact CD2-CZ 4.31Å; L330-F363 HydrophobicContact CG-CD2 4.18Å; L330-F363 HydrophobicContact CG-CE1 4.26Å; L330-F363 HydrophobicContact CG-CE2 3.38Å; L330-F363 HydrophobicContact CG-CZ 3.43Å; L330-F363 VanDerWaalsContact CG-CZ 3.43Å; L340-F363 HydrophobicContact CD1-CE1 4.45Å; L340-F363 HydrophobicContact CD1-CE2 4.47Å; L340-F363 HydrophobicContact CD1-CZ 3.6Å; F363-P365 VanDerWaalsContact O-CD 3.25Å; F363-P365 WeakPolarHBondContact O-CD 3.33Å; F363-Q370 WeakPolarHBondContact CD1-O 3.24Å; F363-F373 HydrophobicContact CD1-CB 4.02Å; F363-F373 HydrophobicContact CE1-CB 4.42Å; F363-F373 HydrophobicContact CG-CB 4.43Å; F363-T387 HydrophobicContact CE1-CG2 4.29Å; F363-F408 WeakPolarHBondContact O-CE2 3.13Å
364	N	94.6	Very high	93.8	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	22%	0.218	C	C	.	.			trans	-64.4	122.7	163.8	-169.3	-25.4	0	0	0	108.5	D366 K369 Q370 L372 F408 W429	N364-D366 VanDerWaalsContact C-N 3.25Å; N364-D366 PolarHBondContact O-N 3.25Å; N364-D366 WeakPolarHBondContact OD1-CB 3.35Å; N364-D366 PolarHBondContact OD1-N 2.96Å; N364-K369 HydrophobicContact CB-CB 4.21Å; N364-K369 WeakPolarHBondContact ND2-CD 2.9Å; N364-Q370 PolarHBondContact O-NE2 3.1Å; N364-Q370 PolarHBondContact O-OE1 2.83Å; N364-L372 WeakPolarHBondContact CB-O 3.35Å; N364-L372 PolarHBondContact N-O 2.89Å; N364-F408 HydrophobicContact CB-CE1 4.49Å; N364-F408 HydrophobicContact CB-CZ 4.2Å; N364-W429 HydrophobicContact CB-CH2 3.89Å; N364-W429 HydrophobicContact CB-CZ2 4.26Å; N364-W429 HydrophobicContact CB-CZ3 4.38Å; N364-W429 VanDerWaalsContact ND2-CH2 3.35Å; N364-W429 WeakPolarHBondContact ND2-CH2 3.29Å; N364-W429 WeakPolarHBondContact ND2-CZ2 3.27Å
365	P	92.8	Very high	94.1	Very high	42 Å²	42	46.2 Å²	46.2	27%	0.273	22%	0.217	S	C	.	.			trans	-71.9	-11.1	178.9	29.2	-38.6	0	0	0	114.7	F363 Q370 F408 N412	F363-P365 VanDerWaalsContact O-CD 3.25Å; F363-P365 WeakPolarHBondContact O-CD 3.33Å; P365-Q370 VanDerWaalsContact C-NE2 3.35Å; P365-Q370 PolarHBondContact O-NE2 3.14Å; P365-F408 VanDerWaalsContact CD-CD2 3.44Å; P365-F408 VanDerWaalsContact CD-CG 3.43Å; P365-F408 HydrophobicContact CG-CB 3.84Å; P365-F408 HydrophobicContact CG-CD1 4.04Å; P365-F408 HydrophobicContact CG-CD2 4.09Å; P365-F408 HydrophobicContact CG-CG 3.72Å; P365-N412 HydrophobicContact CG-CB 3.73Å; P365-N412 WeakPolarHBondContact CG-OD1 3.19Å
366	D	93.4	Very high	94.4	Very high	33 Å²	33	37.9 Å²	37.9	18%	0.176	18%	0.181	C	C	.	.	S	Bend	trans	-67.6	129.7	174.7	-74.4	-14.6	0	0	0	111.3	N364 D368 K369 Q370 N412	N364-D366 VanDerWaalsContact C-N 3.25Å; N364-D366 PolarHBondContact O-N 3.25Å; N364-D366 WeakPolarHBondContact OD1-CB 3.35Å; N364-D366 PolarHBondContact OD1-N 2.96Å; D366-D368 VanDerWaalsContact C-N 3.25Å; D366-D368 PolarHBondContact O-N 3.23Å; D366-K369 HydrophobicContact CB-CB 4.21Å; D366-K369 HydrophobicContact CB-CD 4.31Å; D366-K369 HydrophobicContact CB-CG 4.4Å; D366-K369 CarbonylContact O-C 3.54Å; D366-K369 PolarHBondContact O-N 2.95Å; D366-K369 IonicContact OD2-NZ 2.86Å; D366-K369 PolarHBondContact OD2-NZ 2.87Å; D366-Q370 VanDerWaalsContact C-NE2 3.33Å; D366-Q370 PolarHBondContact O-N 3.27Å; D366-Q370 PolarHBondContact O-NE2 3.03Å; D366-N412 WeakPolarHBondContact OD1-CB 3.17Å; D366-N412 PolarHBondContact OD1-ND2 3Å
367	E	90.9	Very high	94.5	Very high	134 Å²	134	31.9 Å²	31.9	63%	0.626	16%	0.159	S	C	*	.	G	3₁₀ helix	trans	-59.4	-35.8	-178.8	-64.3	-173.7	166.4	0	0	111.9	K281 K369 Q370	K281-E367 IonicContact NZ-OE1 2.89Å; K281-E367 PolarHBondContact NZ-OE1 2.93Å; K281-E367 VanDerWaalsContact NZ-OE1 3.08Å; E367-K369 VanDerWaalsContact C-N 3.27Å; E367-K369 PolarHBondContact O-N 3.02Å; E367-Q370 WeakPolarHBondContact O-CG 3.33Å
368	D	92.9	Very high	94.6	Very high	146 Å²	146	32 Å²	32	78%	0.781	16%	0.163	S	C	*	.	G	3₁₀ helix	trans	-68.2	-25.2	178.3	-57.3	-32.2	0	0	0	113.6	D366 H371	D366-D368 VanDerWaalsContact C-N 3.25Å; D366-D368 PolarHBondContact O-N 3.23Å; D368-H371 PolarHBondContact O-CE1 3.16Å
369	K	92.4	Very high	94.4	Very high	61 Å²	61	35 Å²	35	27%	0.265	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	-117.3	21.9	-169.4	-57.6	172.1	-161.8	145.4	0	112.8	N364 D366 E367 H371 L372	N364-K369 HydrophobicContact CB-CB 4.21Å; N364-K369 WeakPolarHBondContact ND2-CD 2.9Å; D366-K369 HydrophobicContact CB-CB 4.21Å; D366-K369 HydrophobicContact CB-CD 4.31Å; D366-K369 HydrophobicContact CB-CG 4.4Å; D366-K369 CarbonylContact O-C 3.54Å; D366-K369 PolarHBondContact O-N 2.95Å; D366-K369 IonicContact OD2-NZ 2.86Å; D366-K369 PolarHBondContact OD2-NZ 2.87Å; E367-K369 VanDerWaalsContact C-N 3.27Å; E367-K369 PolarHBondContact O-N 3.02Å; K369-H371 PolarHBondContact O-N 3.46Å; K369-L372 HydrophobicContact CB-CD1 4.38Å; K369-L372 PolarHBondContact O-N 3.46Å
370	Q	92	Very high	94.4	Very high	30 Å²	30	37 Å²	37	14%	0.14	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-18.1	178.2	-70.8	-55.8	-47.6	0	0	114.2	S324 F363 N364 P365 D366 E367 L372	S324-Q370 VanDerWaalsContact CB-NE2 3.34Å; S324-Q370 WeakPolarHBondContact OG-CG 3.29Å; S324-Q370 PolarHBondContact OG-NE2 2.89Å; S324-Q370 PolarHBondContact OG-OE1 2.94Å; F363-Q370 WeakPolarHBondContact CD1-O 3.24Å; N364-Q370 PolarHBondContact O-NE2 3.1Å; N364-Q370 PolarHBondContact O-OE1 2.83Å; P365-Q370 VanDerWaalsContact C-NE2 3.35Å; P365-Q370 PolarHBondContact O-NE2 3.14Å; D366-Q370 VanDerWaalsContact C-NE2 3.33Å; D366-Q370 PolarHBondContact O-N 3.27Å; D366-Q370 PolarHBondContact O-NE2 3.03Å; E367-Q370 WeakPolarHBondContact O-CG 3.33Å; Q370-L372 PolarHBondContact O-N 2.85Å
371	H	93.8	Very high	94.5	Very high	43 Å²	43	39.6 Å²	39.6	20%	0.199	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-13.7	173.8	61	-85.7	0	0	0	113.1	D368 K369 D386 T387 R388	D368-H371 PolarHBondContact O-CE1 3.16Å; K369-H371 PolarHBondContact O-N 3.46Å; H371-D386 IonicContact CD2-OD1 3.73Å; H371-D386 PolarHBondContact CD2-OD1 2.55Å; H371-D386 IonicContact CD2-OD2 3.82Å; H371-D386 PolarHBondContact CD2-OD2 3.14Å; H371-D386 IonicContact CG-OD1 2.77Å; H371-D386 WeakPolarHBondContact O-CA 3.37Å; H371-T387 VanDerWaalsContact CA-OG1 3.23Å; H371-T387 WeakPolarHBondContact CA-OG1 3.42Å; H371-T387 WeakPolarHBondContact O-CB 3.43Å; H371-T387 WeakPolarHBondContact O-CG2 3.39Å; H371-T387 PolarHBondContact O-N 2.84Å; H371-T387 PolarHBondContact O-OG1 3.07Å; H371-R388 HydrophobicContact CB-CG 4.16Å; H371-R388 PolarHBondContact CD2-NH2 2.87Å; H371-R388 VanDerWaalsContact CG-CZ 3.46Å; H371-R388 PolarHBondContact NE2-NH2 3.46Å
372	L	95.7	Very high	94.5	Very high	18 Å²	18	39.5 Å²	39.5	9%	0.094	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	139.3	-179.8	-59.2	173.5	0	0	0	111.2	N364 K369 Q370 Y385 D386 V393 W429	N364-L372 WeakPolarHBondContact CB-O 3.35Å; N364-L372 PolarHBondContact N-O 2.89Å; K369-L372 HydrophobicContact CB-CD1 4.38Å; K369-L372 PolarHBondContact O-N 3.46Å; Q370-L372 PolarHBondContact O-N 2.85Å; L372-Y385 WeakPolarHBondContact CA-O 3.36Å; L372-D386 HydrophobicContact CD2-CB 3.8Å; L372-V393 HydrophobicContact CD2-CG2 3.92Å; L372-W429 HydrophobicContact CB-CH2 4.11Å; L372-W429 HydrophobicContact CB-CZ2 3.82Å; L372-W429 HydrophobicContact CD1-CZ2 3.67Å; L372-W429 HydrophobicContact CG-CZ2 4.36Å
373	F	96	Very high	94.5	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	152.5	173.4	65.8	-84.4	0	0	0	111.6	L330 V338 F352 V361 Q362 F363 V375 C384 Y385 T387	L330-F373 HydrophobicContact CD1-CB 3.51Å; L330-F373 HydrophobicContact CD1-CD1 3.86Å; L330-F373 HydrophobicContact CD1-CD2 3.51Å; L330-F373 HydrophobicContact CD1-CE1 4.43Å; L330-F373 HydrophobicContact CD1-CE2 4.11Å; L330-F373 HydrophobicContact CD1-CG 3.35Å; L330-F373 HydrophobicContact CD2-CE1 4.41Å; L330-F373 HydrophobicContact CD2-CE2 4.35Å; L330-F373 HydrophobicContact CD2-CZ 4.27Å; V338-F373 HydrophobicContact CG1-CE2 4.06Å; F352-F373 HydrophobicContact CD1-CE1 4.44Å; F352-F373 AromaticContact CD1-CZ 3.95Å; F352-F373 HydrophobicContact CD1-CZ 3.95Å; F352-F373 HydrophobicContact CD2-CE1 4.27Å; F352-F373 HydrophobicContact CD2-CE2 4.42Å; F352-F373 AromaticContact CD2-CZ 3.54Å; F352-F373 HydrophobicContact CD2-CZ 3.54Å; F352-F373 AromaticContact CE1-CE1 3.89Å; F352-F373 HydrophobicContact CE1-CE1 3.89Å; F352-F373 AromaticContact CE1-CZ 3.85Å; F352-F373 HydrophobicContact CE1-CZ 3.85Å; F352-F373 AromaticContact CE2-CE1 3.73Å; F352-F373 HydrophobicContact CE2-CE1 3.73Å; F352-F373 AromaticContact CE2-CZ 3.48Å; F352-F373 HydrophobicContact CE2-CZ 3.48Å; F352-F373 VanDerWaalsContact CE2-CZ 3.48Å; F352-F373 AromaticContact CG-CZ 3.8Å; F352-F373 HydrophobicContact CG-CZ 3.8Å; F352-F373 AromaticContact CZ-CE1 3.54Å; F352-F373 HydrophobicContact CZ-CE1 3.54Å; F352-F373 AromaticContact CZ-CZ 3.66Å; F352-F373 HydrophobicContact CZ-CZ 3.66Å; V361-F373 HydrophobicContact CG1-CD2 4.15Å; Q362-F373 WeakPolarHBondContact O-CA 3.45Å; F363-F373 HydrophobicContact CD1-CB 4.02Å; F363-F373 HydrophobicContact CE1-CB 4.42Å; F363-F373 HydrophobicContact CG-CB 4.43Å; F373-V375 HydrophobicContact CD2-CG2 3.56Å; F373-V375 HydrophobicContact CE2-CG2 3.36Å; F373-C384 WeakPolarHBondContact O-CA 3.41Å; F373-Y385 HydrophobicContact CE1-CG 4.39Å; F373-Y385 HydrophobicContact CE2-CD2 4.04Å; F373-Y385 HydrophobicContact CE2-CG 4.17Å; F373-Y385 HydrophobicContact CZ-CD2 4.15Å; F373-Y385 AromaticContact CZ-CG 3.82Å; F373-Y385 HydrophobicContact CZ-CG 3.82Å; F373-Y385 PolarHBondContact N-O 2.96Å; F373-Y385 VanDerWaalsContact N-O 3.12Å; F373-Y385 PolarHBondContact O-N 2.89Å; F373-T387 HydrophobicContact CD1-CG2 3.64Å; F373-T387 HydrophobicContact CE1-CG2 3.66Å
374	L	96.4	Very high	94.6	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.005	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	139.6	176.9	-64.3	179	0	0	0	110.6	V361 Q362 I382 L383 C384 Y396 V406 F408 F415 W429	V361-L374 WeakPolarHBondContact CA-O 3.21Å; Q362-L374 PolarHBondContact N-O 3.44Å; Q362-L374 PolarHBondContact O-N 3.35Å; L374-I382 HydrophobicContact CB-CG2 4.17Å; L374-I382 HydrophobicContact CD2-CG2 4.23Å; L374-L383 CarbonylContact C-O 3.52Å; L374-L383 WeakPolarHBondContact CA-O 3.47Å; L374-C384 HydrophobicContact CD2-CB 3.78Å; L374-Y396 HydrophobicContact CD2-CE2 3.95Å; L374-V406 HydrophobicContact CB-CG1 4.44Å; L374-V406 HydrophobicContact CD1-CG1 3.81Å; L374-F408 HydrophobicContact CD1-CE1 4.38Å; L374-F408 HydrophobicContact CD1-CE2 4.3Å; L374-F408 HydrophobicContact CD1-CZ 3.76Å; L374-F408 HydrophobicContact CG-CZ 4.24Å; L374-F415 HydrophobicContact CD1-CB 4.38Å; L374-F415 HydrophobicContact CD1-CD1 3.75Å; L374-F415 HydrophobicContact CD1-CD2 3.76Å; L374-F415 HydrophobicContact CD1-CE1 3.86Å; L374-F415 HydrophobicContact CD1-CE2 3.85Å; L374-F415 HydrophobicContact CD1-CG 3.7Å; L374-F415 HydrophobicContact CD1-CZ 3.9Å; L374-W429 HydrophobicContact CD1-CZ3 3.84Å; L374-W429 HydrophobicContact CD2-CH2 4.26Å; L374-W429 HydrophobicContact CD2-CZ3 3.98Å; L374-W429 HydrophobicContact CG-CH2 4.28Å; L374-W429 HydrophobicContact CG-CZ3 3.84Å
375	V	96.4	Very high	94.6	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	115.7	175.5	-174.9	0	0	0	0	109.2	V338 L354 A358 V361 F373 C377 I382 L383 Y385	V338-V375 HydrophobicContact CG2-CG1 4.23Å; V338-V375 HydrophobicContact CG2-CG2 4.37Å; L354-V375 HydrophobicContact CD1-CG1 4.08Å; L354-V375 HydrophobicContact CD2-CG1 4.32Å; A358-V375 HydrophobicContact CB-CG1 3.43Å; A358-V375 VanDerWaalsContact CB-CG1 3.43Å; V361-V375 HydrophobicContact CG2-CG1 4.25Å; V361-V375 HydrophobicContact CG2-CG2 4.27Å; F373-V375 HydrophobicContact CD2-CG2 3.56Å; F373-V375 HydrophobicContact CE2-CG2 3.36Å; V375-C377 PolarHBondContact O-N 3Å; V375-I382 WeakPolarHBondContact O-CA 3.3Å; V375-L383 PolarHBondContact N-O 2.71Å; V375-L383 PolarHBondContact O-N 3.29Å; V375-Y385 HydrophobicContact CG2-CD2 3.98Å; V375-Y385 HydrophobicContact CG2-CE2 4.32Å
376	G	95.9	Very high	94.7	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	113	170.9	0	0	0	0	0	110.3	Y359 C360	Y359-G376 PolarHBondContact N-O 2.96Å; C360-G376 PolarHBondContact O-N 2.94Å
377	C	95.3	Very high	94.8	Very high	4 Å²	4	37 Å²	37	3%	0.027	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	157.4	-175.9	-61	0	0	0	0	112.1	V357 V375 D379 K381 V403	V357-C377 WeakPolarHBondContact O-CA 3.32Å; V375-C377 PolarHBondContact O-N 3Å; C377-D379 HydrophobicContact CB-CB 4.43Å; C377-D379 PolarHBondContact O-N 3.44Å; C377-K381 WeakPolarHBondContact CB-O 3.36Å; C377-K381 PolarHBondContact N-O 2.91Å; C377-V403 PolarHBondContact O-N 2.94Å
378	A	95.4	Very high	94.9	Very high	34 Å²	34	38.8 Å²	38.8	28%	0.281	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-20.7	167.2	0	0	0	0	0	112.9	R356 V357 Y359 K380	R356-A378 HydrophobicContact CB-CB 4.38Å; V357-A378 PolarHBondContact O-N 2.79Å; Y359-A378 HydrophobicContact CD2-CB 4.26Å; Y359-A378 HydrophobicContact CE2-CB 3.55Å; A378-K380 PolarHBondContact O-N 3Å
379	D	92.8	Very high	94.8	Very high	62 Å²	62	34.9 Å²	34.9	33%	0.332	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	21.8	-179.3	-138.4	22.4	0	0	0	113.8	R356 C377 K381	R356-D379 HydrophobicContact CB-CB 4.04Å; R356-D379 HydrophobicContact CG-CB 3.63Å; R356-D379 IonicContact NE-OD1 3.42Å; C377-D379 HydrophobicContact CB-CB 4.43Å; C377-D379 PolarHBondContact O-N 3.44Å; D379-K381 WeakPolarHBondContact O-CG 3.24Å; D379-K381 PolarHBondContact O-N 3.46Å
380	K	94.7	Very high	94.7	Very high	106 Å²	106	33.6 Å²	33.6	46%	0.461	17%	0.174	S	C	.	.	S	Bend	trans	61.5	8.2	-177.2	-39.4	169.5	-179.2	-156.1	0	114.8	A378 H399 L400 G401	A378-K380 PolarHBondContact O-N 3Å; K380-H399 HydrophobicContact CB-CB 4.49Å; K380-H399 WeakPolarHBondContact CB-O 3.41Å; K380-H399 WeakPolarHBondContact O-CB 3.45Å; K380-L400 WeakPolarHBondContact CD-O 3.28Å; K380-L400 WeakPolarHBondContact CE-O 3.3Å; K380-L400 PolarHBondContact NZ-O 2.84Å; K380-G401 VanDerWaalsContact CA-O 3.28Å; K380-G401 WeakPolarHBondContact CA-O 3.39Å; K380-G401 WeakPolarHBondContact CB-O 3.34Å
381	K	95.5	Very high	94.8	Very high	62 Å²	62	38.8 Å²	38.8	27%	0.27	20%	0.198	S	C	.	.			trans	-106.7	144.6	-176.5	-70.3	169.8	177.9	-161.5	0	110	C377 D379 L383 Q395 Y396 D397	C377-K381 WeakPolarHBondContact CB-O 3.36Å; C377-K381 PolarHBondContact N-O 2.91Å; D379-K381 WeakPolarHBondContact O-CG 3.24Å; D379-K381 PolarHBondContact O-N 3.46Å; K381-L383 HydrophobicContact CB-CD2 4.4Å; K381-Q395 HydrophobicContact CB-CG 4.36Å; K381-Q395 HydrophobicContact CD-CG 4.01Å; K381-Q395 HydrophobicContact CG-CG 4.13Å; K381-Q395 VanDerWaalsContact NZ-NE2 3.18Å; K381-Y396 CarbonylContact C-O 3.55Å; K381-Y396 VanDerWaalsContact CA-O 3.3Å; K381-Y396 WeakPolarHBondContact CA-O 3.38Å; K381-D397 HydrophobicContact CG-CB 4.16Å
382	I	96.6	Very high	94.8	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	123.8	160.9	-46.2	173.5	0	0	0	105.6	L374 V375 Y396 V403 V406 F415 S417 W427	L374-I382 HydrophobicContact CB-CG2 4.17Å; L374-I382 HydrophobicContact CD2-CG2 4.23Å; V375-I382 WeakPolarHBondContact O-CA 3.3Å; I382-Y396 HydrophobicContact CB-CD2 3.99Å; I382-Y396 HydrophobicContact CB-CG 4.36Å; I382-Y396 HydrophobicContact CG2-CD2 4.28Å; I382-Y396 PolarHBondContact N-O 3.47Å; I382-Y396 WeakPolarHBondContact O-CD2 3.42Å; I382-Y396 PolarHBondContact O-N 3.07Å; I382-V403 HydrophobicContact CD1-CG1 4.18Å; I382-V403 HydrophobicContact CD1-CG2 4.47Å; I382-V403 HydrophobicContact CG1-CB 4.41Å; I382-V403 HydrophobicContact CG1-CG1 4.01Å; I382-V403 HydrophobicContact CG1-CG2 3.82Å; I382-V406 HydrophobicContact CD1-CG2 4.41Å; I382-V406 HydrophobicContact CG2-CG2 4.41Å; I382-F415 HydrophobicContact CD1-CE2 3.93Å; I382-S417 VanDerWaalsContact CD1-CB 3.47Å; I382-W427 HydrophobicContact CD1-CZ2 4.43Å
383	L	96.1	Very high	94.8	Very high	22 Å²	22	42.3 Å²	42.3	12%	0.115	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	131.2	178.5	-61.6	175.6	0	0	0	108.6	L354 L374 V375 K381 Y385 V392 Q395	L354-L383 HydrophobicContact CD2-CD1 3.74Å; L374-L383 CarbonylContact C-O 3.52Å; L374-L383 WeakPolarHBondContact CA-O 3.47Å; V375-L383 PolarHBondContact N-O 2.71Å; V375-L383 PolarHBondContact O-N 3.29Å; K381-L383 HydrophobicContact CB-CD2 4.4Å; L383-Y385 HydrophobicContact CB-CD2 4Å; L383-Y385 HydrophobicContact CB-CE2 3.59Å; L383-Y385 HydrophobicContact CD1-CE2 3.87Å; L383-Y385 HydrophobicContact CG-CE2 4.38Å; L383-V392 HydrophobicContact CD2-CG1 4.06Å; L383-Q395 HydrophobicContact CD2-CB 4.19Å; L383-Q395 HydrophobicContact CD2-CG 3.86Å
384	C	96.4	Very high	94.7	Very high	2 Å²	2	44.5 Å²	44.5	1%	0.014	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	123.1	167.6	-172.3	0	0	0	0	108.2	F373 L374 V392 V393 Q394 Y396	F373-C384 WeakPolarHBondContact O-CA 3.41Å; L374-C384 HydrophobicContact CD2-CB 3.78Å; C384-V392 CarbonylContact O-C 3.59Å; C384-V392 WeakPolarHBondContact O-CA 3.07Å; C384-V393 PolarHBondContact O-N 3.2Å; C384-Q394 HydrophobicContact CB-CB 3.92Å; C384-Q394 PolarHBondContact N-O 3.12Å; C384-Q394 PolarHBondContact O-N 3.29Å; C384-Y396 HydrophobicContact CB-CE2 4.37Å
385	Y	95.6	Very high	94.7	Very high	16 Å²	16	47.5 Å²	47.5	6%	0.063	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	145.2	178.8	-81.6	-87.7	0	0	0	110.4	F352 L354 L372 F373 V375 L383 E391 V392	F352-Y385 HydrophobicContact CB-CE1 4.41Å; F352-Y385 AromaticContact CD1-CD1 3.74Å; F352-Y385 HydrophobicContact CD1-CD1 3.74Å; F352-Y385 HydrophobicContact CD1-CE1 4.24Å; F352-Y385 HydrophobicContact CD1-CG 4.25Å; F352-Y385 HydrophobicContact CE1-CD1 4.4Å; F352-Y385 HydrophobicContact CG-CD1 4.46Å; L354-Y385 HydrophobicContact CD2-CE2 3.76Å; L354-Y385 WeakPolarHBondContact CD2-OH 3.4Å; L372-Y385 WeakPolarHBondContact CA-O 3.36Å; F373-Y385 HydrophobicContact CE1-CG 4.39Å; F373-Y385 HydrophobicContact CE2-CD2 4.04Å; F373-Y385 HydrophobicContact CE2-CG 4.17Å; F373-Y385 HydrophobicContact CZ-CD2 4.15Å; F373-Y385 AromaticContact CZ-CG 3.82Å; F373-Y385 HydrophobicContact CZ-CG 3.82Å; F373-Y385 PolarHBondContact N-O 2.96Å; F373-Y385 VanDerWaalsContact N-O 3.12Å; F373-Y385 PolarHBondContact O-N 2.89Å; V375-Y385 HydrophobicContact CG2-CD2 3.98Å; V375-Y385 HydrophobicContact CG2-CE2 4.32Å; L383-Y385 HydrophobicContact CB-CD2 4Å; L383-Y385 HydrophobicContact CB-CE2 3.59Å; L383-Y385 HydrophobicContact CD1-CE2 3.87Å; L383-Y385 HydrophobicContact CG-CE2 4.38Å; Y385-E391 WeakPolarHBondContact CA-O 3.08Å; Y385-V392 HydrophobicContact CD1-CG2 4.01Å; Y385-V392 HydrophobicContact CE1-CB 4.49Å; Y385-V392 HydrophobicContact CE1-CG2 3.39Å; Y385-V392 HydrophobicContact CE2-CG2 4.1Å; Y385-V392 VanDerWaalsContact CZ-CG2 3.44Å
386	D	95.4	Very high	94.7	Very high	19 Å²	19	47.5 Å²	47.5	10%	0.102	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	123.4	163.8	-171.8	-16.6	0	0	0	109.2	H371 L372 R388 G390 E391 V393	H371-D386 IonicContact CD2-OD1 3.73Å; H371-D386 PolarHBondContact CD2-OD1 2.55Å; H371-D386 IonicContact CD2-OD2 3.82Å; H371-D386 PolarHBondContact CD2-OD2 3.14Å; H371-D386 IonicContact CG-OD1 2.77Å; H371-D386 WeakPolarHBondContact O-CA 3.37Å; L372-D386 HydrophobicContact CD2-CB 3.8Å; D386-R388 PolarHBondContact O-N 3.01Å; D386-R388 WeakPolarHBondContact OD1-CB 3.31Å; D386-R388 PolarHBondContact OD1-N 2.87Å; D386-R388 IonicContact OD1-NE 3.56Å; D386-R388 PolarHBondContact OD1-NE 3.15Å; D386-R388 IonicContact OD1-NH2 2.65Å; D386-R388 IonicContact OD2-CZ 3.97Å; D386-R388 IonicContact OD2-NE 2.87Å; D386-R388 PolarHBondContact OD2-NE 2.81Å; D386-R388 IonicContact OD2-NH2 2.78Å; D386-R388 PolarHBondContact OD2-NH2 2.75Å; D386-G390 WeakPolarHBondContact O-CA 3.43Å; D386-G390 PolarHBondContact O-N 3.08Å; D386-E391 PolarHBondContact N-O 3.37Å; D386-E391 VanDerWaalsContact N-O 3.15Å; D386-V393 HydrophobicContact CB-CG2 3.66Å
387	T	93.7	Very high	94.6	Very high	18 Å²	18	51.6 Å²	51.6	11%	0.11	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-25.5	177	53.9	0	0	0	0	113.4	L340 N350 F352 F363 H371 F373	L340-T387 HydrophobicContact CD2-CG2 3.92Å; N350-T387 PolarHBondContact ND2-O 3.38Å; F352-T387 HydrophobicContact CZ-CG2 4.29Å; F363-T387 HydrophobicContact CE1-CG2 4.29Å; H371-T387 VanDerWaalsContact CA-OG1 3.23Å; H371-T387 WeakPolarHBondContact CA-OG1 3.42Å; H371-T387 WeakPolarHBondContact O-CB 3.43Å; H371-T387 WeakPolarHBondContact O-CG2 3.39Å; H371-T387 PolarHBondContact O-N 2.84Å; H371-T387 PolarHBondContact O-OG1 3.07Å; F373-T387 HydrophobicContact CD1-CG2 3.64Å; F373-T387 HydrophobicContact CE1-CG2 3.66Å
388	R	93.2	Very high	94.6	Very high	170 Å²	170	57.5 Å²	57.5	64%	0.642	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-43.3	-177.1	-60.1	172.1	-65.1	-178.1	6.7	111.8	H371 D386	H371-R388 HydrophobicContact CB-CG 4.16Å; H371-R388 PolarHBondContact CD2-NH2 2.87Å; H371-R388 VanDerWaalsContact CG-CZ 3.46Å; H371-R388 PolarHBondContact NE2-NH2 3.46Å; D386-R388 PolarHBondContact O-N 3.01Å; D386-R388 WeakPolarHBondContact OD1-CB 3.31Å; D386-R388 PolarHBondContact OD1-N 2.87Å; D386-R388 IonicContact OD1-NE 3.56Å; D386-R388 PolarHBondContact OD1-NE 3.15Å; D386-R388 IonicContact OD1-NH2 2.65Å; D386-R388 IonicContact OD2-CZ 3.97Å; D386-R388 IonicContact OD2-NE 2.87Å; D386-R388 PolarHBondContact OD2-NE 2.81Å; D386-R388 IonicContact OD2-NH2 2.78Å; D386-R388 PolarHBondContact OD2-NH2 2.75Å
389	S	91.8	Very high	94.6	Very high	64 Å²	64	56.1 Å²	56.1	45%	0.448	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-28.8	179.8	67	0	0	0	0	112.9	E391	S389-E391 PolarHBondContact O-N 2.84Å; S389-E391 PolarHBondContact OG-N 3.11Å; S389-E391 VanDerWaalsContact OG-N 3.15Å
390	G	90.7	Very high	94.7	Very high	35 Å²	35	58.5 Å²	58.5	36%	0.361	29%	0.291	S	S	.	.			trans	81.9	-4.6	-170.4	0	0	0	0	0	113.8	D386	D386-G390 WeakPolarHBondContact O-CA 3.43Å; D386-G390 PolarHBondContact O-N 3.08Å
391	E	92.9	Very high	94.7	Very high	138 Å²	138	54.1 Å²	54.1	65%	0.645	28%	0.276	S	S	*	.	S	Bend	trans	-94.6	159.1	-172.1	-61.7	-176.8	163.5	0	0	112.3	Y385 D386 S389 V393	Y385-E391 WeakPolarHBondContact CA-O 3.08Å; D386-E391 PolarHBondContact N-O 3.37Å; D386-E391 VanDerWaalsContact N-O 3.15Å; S389-E391 PolarHBondContact O-N 2.84Å; S389-E391 PolarHBondContact OG-N 3.11Å; S389-E391 VanDerWaalsContact OG-N 3.15Å; E391-V393 PolarHBondContact O-N 3.3Å
392	V	94.6	Very high	94.7	Very high	65 Å²	65	51.8 Å²	51.8	39%	0.394	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	114.2	172.1	179.5	0	0	0	0	108.1	L383 C384 Y385 Q394	L383-V392 HydrophobicContact CD2-CG1 4.06Å; C384-V392 CarbonylContact O-C 3.59Å; C384-V392 WeakPolarHBondContact O-CA 3.07Å; Y385-V392 HydrophobicContact CD1-CG2 4.01Å; Y385-V392 HydrophobicContact CE1-CB 4.49Å; Y385-V392 HydrophobicContact CE1-CG2 3.39Å; Y385-V392 HydrophobicContact CE2-CG2 4.1Å; Y385-V392 VanDerWaalsContact CZ-CG2 3.44Å; V392-Q394 WeakPolarHBondContact CG1-O 3.07Å
393	V	94.8	Very high	94.7	Very high	70 Å²	70	51.8 Å²	51.8	42%	0.424	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	-45	175.6	177.9	0	0	0	0	110.5	L372 C384 D386 E391	L372-V393 HydrophobicContact CD2-CG2 3.92Å; C384-V393 PolarHBondContact O-N 3.2Å; D386-V393 HydrophobicContact CB-CG2 3.66Å; E391-V393 PolarHBondContact O-N 3.3Å
394	Q	94.5	Very high	94.7	Very high	47 Å²	47	51.7 Å²	51.7	22%	0.22	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	148.4	-174.6	-170.6	61.2	-53.3	0	0	112.6	C384 V392 Y396 D430 P432	C384-Q394 HydrophobicContact CB-CB 3.92Å; C384-Q394 PolarHBondContact N-O 3.12Å; C384-Q394 PolarHBondContact O-N 3.29Å; V392-Q394 WeakPolarHBondContact CG1-O 3.07Å; Q394-Y396 HydrophobicContact CB-CE2 4.46Å; Q394-Y396 HydrophobicContact CG-CE2 4.08Å; Q394-D430 PolarHBondContact NE2-O 2.97Å; Q394-P432 VanDerWaalsContact NE2-CD 3.32Å
395	Q	95.7	Very high	94.6	Very high	64 Å²	64	52.2 Å²	52.2	30%	0.299	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	127.4	176.1	-176.1	-172	-73.9	0	0	110.5	K381 L383 D397 P432	K381-Q395 HydrophobicContact CB-CG 4.36Å; K381-Q395 HydrophobicContact CD-CG 4.01Å; K381-Q395 HydrophobicContact CG-CG 4.13Å; K381-Q395 VanDerWaalsContact NZ-NE2 3.18Å; L383-Q395 HydrophobicContact CD2-CB 4.19Å; L383-Q395 HydrophobicContact CD2-CG 3.86Å; Q395-D397 HydrophobicContact CG-CB 4.46Å; Q395-P432 WeakPolarHBondContact O-CB 3.46Å
396	Y	96.3	Very high	94.6	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	114.3	172.1	-51.2	-97.6	0	0	0	109.2	L374 K381 I382 C384 Q394 F415 W427 D430 I431 P432	L374-Y396 HydrophobicContact CD2-CE2 3.95Å; K381-Y396 CarbonylContact C-O 3.55Å; K381-Y396 VanDerWaalsContact CA-O 3.3Å; K381-Y396 WeakPolarHBondContact CA-O 3.38Å; I382-Y396 HydrophobicContact CB-CD2 3.99Å; I382-Y396 HydrophobicContact CB-CG 4.36Å; I382-Y396 HydrophobicContact CG2-CD2 4.28Å; I382-Y396 PolarHBondContact N-O 3.47Å; I382-Y396 WeakPolarHBondContact O-CD2 3.42Å; I382-Y396 PolarHBondContact O-N 3.07Å; C384-Y396 HydrophobicContact CB-CE2 4.37Å; Q394-Y396 HydrophobicContact CB-CE2 4.46Å; Q394-Y396 HydrophobicContact CG-CE2 4.08Å; Y396-F415 AromaticContact CD1-CZ 3.92Å; Y396-F415 HydrophobicContact CD1-CZ 3.92Å; Y396-F415 HydrophobicContact CD2-CZ 4.03Å; Y396-F415 AromaticContact CE1-CE1 3.91Å; Y396-F415 HydrophobicContact CE1-CE1 3.91Å; Y396-F415 AromaticContact CE1-CZ 3.62Å; Y396-F415 HydrophobicContact CE1-CZ 3.62Å; Y396-F415 HydrophobicContact CE2-CE1 4.21Å; Y396-F415 AromaticContact CE2-CZ 3.75Å; Y396-F415 HydrophobicContact CE2-CZ 3.75Å; Y396-F415 HydrophobicContact CG-CZ 4.13Å; Y396-F415 AromaticContact CZ-CE1 3.69Å; Y396-F415 AromaticContact CZ-CZ 3.55Å; Y396-W427 AromaticContact CD1-CD2 3.86Å; Y396-W427 HydrophobicContact CD1-CD2 3.86Å; Y396-W427 AromaticContact CD1-CE3 3.48Å; Y396-W427 HydrophobicContact CD1-CE3 3.48Å; Y396-W427 VanDerWaalsContact CD1-CE3 3.48Å; Y396-W427 HydrophobicContact CD1-CG 4.34Å; Y396-W427 AromaticContact CD1-CZ3 3.86Å; Y396-W427 HydrophobicContact CD1-CZ3 3.86Å; Y396-W427 HydrophobicContact CE1-CB 4.38Å; Y396-W427 HydrophobicContact CE1-CE3 4.25Å; Y396-W427 HydrophobicContact CG-CE3 4.32Å; Y396-W427 HydrophobicContact CG-CZ3 4.43Å; Y396-D430 WeakPolarHBondContact OH-CA 3.11Å; Y396-D430 PolarHBondContact OH-N 2.85Å; Y396-I431 WeakPolarHBondContact CE1-O 3.48Å; Y396-P432 HydrophobicContact CD1-CB 4.48Å
397	D	95.3	Very high	94.6	Very high	85 Å²	85	51.8 Å²	51.8	46%	0.455	27%	0.273	S	S	.	.			trans	-125.1	17.7	-165.9	65.1	-6.6	0	0	0	114.8	K381 Q395 H399	K381-D397 HydrophobicContact CG-CB 4.16Å; Q395-D397 HydrophobicContact CG-CB 4.46Å; D397-H399 VanDerWaalsContact C-N 3.35Å
398	R	95.1	Very high	94.7	Very high	129 Å²	129	51.8 Å²	51.8	49%	0.487	27%	0.271	S	S	.	.			trans	-78.9	-14.6	179	-54.6	-63	-172.7	161.4	-0.7	114.3	R425 W427	R398-R425 PolarHBondContact O-NE 2.71Å; R398-R425 PolarHBondContact O-NH2 2.68Å; R398-W427 HydrophobicContact CB-CH2 3.6Å; R398-W427 HydrophobicContact CB-CZ2 4.45Å; R398-W427 HydrophobicContact CB-CZ3 4.32Å; R398-W427 HydrophobicContact CG-CH2 3.73Å; R398-W427 HydrophobicContact CG-CZ3 3.96Å
399	H	95.5	Very high	94.7	Very high	4 Å²	4	43.9 Å²	43.9	2%	0.019	24%	0.242	C	C	.	.			trans	-67.8	145.8	178.2	-78.8	-68.2	0	0	0	112.4	K380 D397 V403 S417 S419 D421 R425 W427	K380-H399 HydrophobicContact CB-CB 4.49Å; K380-H399 WeakPolarHBondContact CB-O 3.41Å; K380-H399 WeakPolarHBondContact O-CB 3.45Å; D397-H399 VanDerWaalsContact C-N 3.35Å; H399-V403 HydrophobicContact CB-CG2 4.25Å; H399-S417 PolarHBondContact CE1-OG 3.15Å; H399-S417 WeakPolarHBondContact NE2-CB 3.41Å; H399-S417 PolarHBondContact NE2-OG 3.15Å; H399-S419 PolarHBondContact CE1-OG 3.38Å; H399-S419 WeakPolarHBondContact ND1-CB 3.38Å; H399-S419 PolarHBondContact ND1-OG 2.98Å; H399-D421 IonicContact ND1-OD2 3.96Å; H399-R425 PolarHBondContact ND1-NH1 2.92Å; H399-W427 AromaticContact CD2-CZ2 3.96Å
400	L	95	Very high	94.7	Very high	113 Å²	113	42.7 Å²	42.7	59%	0.592	23%	0.231	S	C	*	.	S	Bend	trans	-99.9	-17.6	179.8	-60.6	174.8	0	0	0	112.7	K380 D421	K380-L400 WeakPolarHBondContact CD-O 3.28Å; K380-L400 WeakPolarHBondContact CE-O 3.3Å; K380-L400 PolarHBondContact NZ-O 2.84Å; L400-D421 HydrophobicContact CB-CB 3.87Å; L400-D421 WeakPolarHBondContact CB-OD2 3.22Å; L400-D421 PolarHBondContact N-OD2 3.36Å
401	G	94.5	Very high	94.6	Very high	14 Å²	14	47.9 Å²	47.9	14%	0.144	25%	0.25	C	C	.	.	S	Bend	trans	-127.1	-179.1	178.1	0	0	0	0	0	112.5	K380	K380-G401 VanDerWaalsContact CA-O 3.28Å; K380-G401 WeakPolarHBondContact CA-O 3.39Å; K380-G401 WeakPolarHBondContact CB-O 3.34Å
402	A	95.7	Very high	94.5	Very high	12 Å²	12	43.5 Å²	43.5	10%	0.099	23%	0.231	C	C	.	.			trans	-61.2	139.7	176.6	0	0	0	0	0	111.2	Y359 S419 D420	Y359-A402 HydrophobicContact CD2-CB 4.06Å; Y359-A402 HydrophobicContact CE2-CB 3.63Å; A402-S419 CarbonylContact O-C 3.58Å; A402-S419 WeakPolarHBondContact O-CA 3.34Å; A402-S419 WeakPolarHBondContact O-CB 3.05Å; A402-D420 PolarHBondContact O-N 2.82Å
403	V	96.5	Very high	94.4	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	120.3	178.4	-177.4	0	0	0	0	108.9	Y359 C377 I382 H399 V406 T418	Y359-V403 WeakPolarHBondContact CB-O 3.23Å; C377-V403 PolarHBondContact O-N 2.94Å; I382-V403 HydrophobicContact CD1-CG1 4.18Å; I382-V403 HydrophobicContact CD1-CG2 4.47Å; I382-V403 HydrophobicContact CG1-CB 4.41Å; I382-V403 HydrophobicContact CG1-CG1 4.01Å; I382-V403 HydrophobicContact CG1-CG2 3.82Å; H399-V403 HydrophobicContact CB-CG2 4.25Å; V403-V406 HydrophobicContact CG1-CG2 4.19Å; V403-T418 CarbonylContact C-O 3.59Å; V403-T418 WeakPolarHBondContact CA-O 3.36Å; V403-T418 WeakPolarHBondContact CG1-O 3.34Å
404	N	95.3	Very high	94.4	Very high	21 Å²	21	45.4 Å²	45.4	11%	0.112	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	-49.8	-172.5	-70.2	-30.4	0	0	0	112.7	C360 T418 D420 S445	C360-N404 WeakPolarHBondContact CB-O 3.18Å; N404-T418 PolarHBondContact N-O 2.99Å; N404-D420 PolarHBondContact ND2-OD1 3.02Å; N404-D420 PolarHBondContact OD1-OD1 2.96Å; N404-S445 PolarHBondContact ND2-OG 3.17Å; N404-S445 VanDerWaalsContact ND2-OG 3.16Å
405	A	95.3	Very high	94.4	Very high	13 Å²	13	43.1 Å²	43.1	11%	0.107	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	152.3	-178.3	0	0	0	0	0	111.3	S417 T418 V449	A405-S417 WeakPolarHBondContact O-CA 3.47Å; A405-T418 PolarHBondContact N-OG1 2.96Å; A405-T418 PolarHBondContact O-N 2.84Å; A405-T418 PolarHBondContact O-OG1 3.08Å; A405-V449 HydrophobicContact CB-CB 4.29Å; A405-V449 HydrophobicContact CB-CG2 4.16Å
406	V	95.6	Very high	94.4	Very high	16 Å²	16	40.2 Å²	40.2	10%	0.097	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	133.7	173.2	173.9	0	0	0	0	108.3	L374 I382 V403 F415 V416	L374-V406 HydrophobicContact CB-CG1 4.44Å; L374-V406 HydrophobicContact CD1-CG1 3.81Å; I382-V406 HydrophobicContact CD1-CG2 4.41Å; I382-V406 HydrophobicContact CG2-CG2 4.41Å; V403-V406 HydrophobicContact CG1-CG2 4.19Å; V406-F415 HydrophobicContact CG1-CB 4.29Å; V406-F415 HydrophobicContact CG1-CD2 3.84Å; V406-F415 HydrophobicContact CG1-CG 4.37Å; V406-V416 CarbonylContact C-O 3.6Å; V406-V416 WeakPolarHBondContact CA-O 3.09Å
407	A	95.4	Very high	94.4	Very high	9 Å²	9	40.2 Å²	40.2	7%	0.074	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	130.1	178.2	0	0	0	0	0	110.6	F415 V416 V449 V451 L458	A407-F415 CarbonylContact O-C 3.52Å; A407-F415 VanDerWaalsContact O-CA 3.29Å; A407-F415 WeakPolarHBondContact O-CA 3.45Å; A407-V416 PolarHBondContact N-O 3.3Å; A407-V416 PolarHBondContact O-N 3Å; A407-V449 HydrophobicContact CB-CG1 3.91Å; A407-V451 HydrophobicContact CB-CG2 3.95Å; A407-L458 HydrophobicContact CB-CD1 4.38Å
408	F	95.3	Very high	94.5	Very high	19 Å²	19	36.2 Å²	36.2	8%	0.083	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	140	175.9	-76.5	-89.8	0	0	0	111.3	Q362 F363 N364 P365 L374 F415 W429 V451	Q362-F408 HydrophobicContact CB-CE2 4.11Å; Q362-F408 HydrophobicContact CG-CD2 3.67Å; Q362-F408 HydrophobicContact CG-CE2 3.59Å; F363-F408 WeakPolarHBondContact O-CE2 3.13Å; N364-F408 HydrophobicContact CB-CE1 4.49Å; N364-F408 HydrophobicContact CB-CZ 4.2Å; P365-F408 VanDerWaalsContact CD-CD2 3.44Å; P365-F408 VanDerWaalsContact CD-CG 3.43Å; P365-F408 HydrophobicContact CG-CB 3.84Å; P365-F408 HydrophobicContact CG-CD1 4.04Å; P365-F408 HydrophobicContact CG-CD2 4.09Å; P365-F408 HydrophobicContact CG-CG 3.72Å; L374-F408 HydrophobicContact CD1-CE1 4.38Å; L374-F408 HydrophobicContact CD1-CE2 4.3Å; L374-F408 HydrophobicContact CD1-CZ 3.76Å; L374-F408 HydrophobicContact CG-CZ 4.24Å; F408-F415 HydrophobicContact CD1-CB 4.08Å; F408-F415 HydrophobicContact CE1-CB 4.31Å; F408-F415 HydrophobicContact CG-CB 4.4Å; F408-W429 AromaticContact CE1-CE3 3.68Å; F408-W429 HydrophobicContact CE1-CE3 3.68Å; F408-W429 AromaticContact CE1-CZ3 3.52Å; F408-W429 HydrophobicContact CE1-CZ3 3.52Å; F408-W429 HydrophobicContact CZ-CE3 4.24Å; F408-W429 HydrophobicContact CZ-CH2 4.39Å; F408-W429 AromaticContact CZ-CZ3 3.6Å; F408-W429 HydrophobicContact CZ-CZ3 3.6Å; F408-V451 WeakPolarHBondContact O-CG2 3.47Å
409	V	94.1	Very high	94.5	Very high	4 Å²	4	30 Å²	30	2%	0.024	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	160.6	-170.6	175.4	0	0	0	0	109.9	N412 R414 V416 V451 L458 I472 F476	V409-N412 PolarHBondContact O-N 3.46Å; V409-R414 PolarHBondContact N-O 2.99Å; V409-R414 CarbonylContact O-C 3.56Å; V409-R414 PolarHBondContact O-N 2.76Å; V409-R414 VanDerWaalsContact O-N 3.14Å; V409-V416 HydrophobicContact CB-CG2 4.19Å; V409-V416 HydrophobicContact CG2-CB 4.48Å; V409-V416 HydrophobicContact CG2-CG2 3.67Å; V409-V451 HydrophobicContact CG2-CG2 3.97Å; V409-L458 HydrophobicContact CG2-CD1 4.14Å; V409-I472 HydrophobicContact CG1-CB 4.01Å; V409-I472 HydrophobicContact CG1-CD1 3.56Å; V409-I472 HydrophobicContact CG1-CG1 3.67Å; V409-I472 HydrophobicContact CG1-CG2 3.17Å; V409-I472 HydrophobicContact CG2-CD1 4.2Å; V409-F476 HydrophobicContact CB-CE1 4.45Å; V409-F476 HydrophobicContact CG1-CE1 3.72Å; V409-F476 HydrophobicContact CG1-CZ 3.76Å
410	D	90.8	Very high	94.4	Very high	39 Å²	39	33.9 Å²	33.9	21%	0.209	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.1	53.2	172.8	-159.9	12.5	0	0	0	111.3	N412 R413 R414	D410-N412 VanDerWaalsContact C-N 3.26Å; D410-N412 PolarHBondContact O-N 3.09Å; D410-R413 WeakPolarHBondContact O-CB 3.35Å; D410-R413 PolarHBondContact O-N 3.14Å; D410-R414 HydrophobicContact CB-CB 4.26Å; D410-R414 HydrophobicContact CB-CG 4.43Å; D410-R414 IonicContact OD2-CZ 3.62Å; D410-R414 IonicContact OD2-NE 3.83Å; D410-R414 IonicContact OD2-NH1 2.89Å; D410-R414 PolarHBondContact OD2-NH1 2.89Å
411	N	88.1	Confident	94.3	Very high	143 Å²	143	30.3 Å²	30.3	77%	0.765	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	49	49.5	-173.1	-60.5	-17.3	0	0	0	111.6	R413	N411-R413 PolarHBondContact O-N 2.88Å
412	N	90.6	Very high	94.3	Very high	46 Å²	46	34.5 Å²	34.5	25%	0.246	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.6	-3.8	175.5	-46.3	-27.5	0	0	0	116.3	P365 D366 V409 D410 R414	P365-N412 HydrophobicContact CG-CB 3.73Å; P365-N412 WeakPolarHBondContact CG-OD1 3.19Å; D366-N412 WeakPolarHBondContact OD1-CB 3.17Å; D366-N412 PolarHBondContact OD1-ND2 3Å; V409-N412 PolarHBondContact O-N 3.46Å; D410-N412 VanDerWaalsContact C-N 3.26Å; D410-N412 PolarHBondContact O-N 3.09Å; N412-R414 PolarHBondContact O-N 2.87Å
413	R	92.7	Very high	94.3	Very high	138 Å²	138	33.9 Å²	33.9	52%	0.521	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-30.2	175.9	-179.1	-179.6	171	178.1	1.2	112	D410 N411 E428 W429	D410-R413 WeakPolarHBondContact O-CB 3.35Å; D410-R413 PolarHBondContact O-N 3.14Å; N411-R413 PolarHBondContact O-N 2.88Å; R413-E428 IonicContact CZ-OE1 3.24Å; R413-E428 VanDerWaalsContact CZ-OE1 3.24Å; R413-E428 IonicContact NE-OE1 2.93Å; R413-E428 PolarHBondContact NE-OE1 3.5Å; R413-E428 IonicContact NH2-OE1 2.71Å; R413-E428 PolarHBondContact NH2-OE1 2.99Å; R413-W429 WeakPolarHBondContact O-CB 3.42Å; R413-W429 PolarHBondContact O-N 2.85Å
414	R	94.3	Very high	94.2	Very high	37 Å²	37	34 Å²	34	14%	0.14	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	160.9	-176.7	-66.4	-179.5	173.1	149.3	-8.5	110.3	V409 D410 N412 V426 W427	V409-R414 PolarHBondContact N-O 2.99Å; V409-R414 CarbonylContact O-C 3.56Å; V409-R414 PolarHBondContact O-N 2.76Å; V409-R414 VanDerWaalsContact O-N 3.14Å; D410-R414 HydrophobicContact CB-CB 4.26Å; D410-R414 HydrophobicContact CB-CG 4.43Å; D410-R414 IonicContact OD2-CZ 3.62Å; D410-R414 IonicContact OD2-NE 3.83Å; D410-R414 IonicContact OD2-NH1 2.89Å; D410-R414 PolarHBondContact OD2-NH1 2.89Å; N412-R414 PolarHBondContact O-N 2.87Å; R414-V426 HydrophobicContact CB-CG1 4.32Å; R414-W427 WeakPolarHBondContact CA-O 3.36Å; R414-W427 WeakPolarHBondContact CB-O 3.27Å; R414-W427 WeakPolarHBondContact CG-O 3.38Å
415	F	95.9	Very high	94.2	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	149.5	166.1	65.7	-87.8	0	0	0	110.1	L374 I382 Y396 V406 A407 F408 V426 W427 W429	L374-F415 HydrophobicContact CD1-CB 4.38Å; L374-F415 HydrophobicContact CD1-CD1 3.75Å; L374-F415 HydrophobicContact CD1-CD2 3.76Å; L374-F415 HydrophobicContact CD1-CE1 3.86Å; L374-F415 HydrophobicContact CD1-CE2 3.85Å; L374-F415 HydrophobicContact CD1-CG 3.7Å; L374-F415 HydrophobicContact CD1-CZ 3.9Å; I382-F415 HydrophobicContact CD1-CE2 3.93Å; Y396-F415 AromaticContact CD1-CZ 3.92Å; Y396-F415 HydrophobicContact CD1-CZ 3.92Å; Y396-F415 HydrophobicContact CD2-CZ 4.03Å; Y396-F415 AromaticContact CE1-CE1 3.91Å; Y396-F415 HydrophobicContact CE1-CE1 3.91Å; Y396-F415 AromaticContact CE1-CZ 3.62Å; Y396-F415 HydrophobicContact CE1-CZ 3.62Å; Y396-F415 HydrophobicContact CE2-CE1 4.21Å; Y396-F415 AromaticContact CE2-CZ 3.75Å; Y396-F415 HydrophobicContact CE2-CZ 3.75Å; Y396-F415 HydrophobicContact CG-CZ 4.13Å; Y396-F415 AromaticContact CZ-CE1 3.69Å; Y396-F415 AromaticContact CZ-CZ 3.55Å; V406-F415 HydrophobicContact CG1-CB 4.29Å; V406-F415 HydrophobicContact CG1-CD2 3.84Å; V406-F415 HydrophobicContact CG1-CG 4.37Å; A407-F415 CarbonylContact O-C 3.52Å; A407-F415 VanDerWaalsContact O-CA 3.29Å; A407-F415 WeakPolarHBondContact O-CA 3.45Å; F408-F415 HydrophobicContact CD1-CB 4.08Å; F408-F415 HydrophobicContact CE1-CB 4.31Å; F408-F415 HydrophobicContact CG-CB 4.4Å; F415-V426 WeakPolarHBondContact O-CA 3.4Å; F415-W427 HydrophobicContact CD1-CB 3.94Å; F415-W427 HydrophobicContact CD2-CB 4.14Å; F415-W427 AromaticContact CD2-CD1 3.55Å; F415-W427 HydrophobicContact CD2-CG 4.12Å; F415-W427 HydrophobicContact CE1-CB 3.48Å; F415-W427 VanDerWaalsContact CE1-CB 3.48Å; F415-W427 HydrophobicContact CE1-CG 4.15Å; F415-W427 HydrophobicContact CE2-CB 3.71Å; F415-W427 AromaticContact CE2-CD1 3.12Å; F415-W427 HydrophobicContact CE2-CD2 4.38Å; F415-W427 AromaticContact CE2-CG 3.48Å; F415-W427 HydrophobicContact CE2-CG 3.48Å; F415-W427 VanDerWaalsContact CE2-CG 3.48Å; F415-W427 AromaticContact CE2-NE1 3.8Å; F415-W427 HydrophobicContact CG-CB 4.26Å; F415-W427 HydrophobicContact CZ-CB 3.35Å; F415-W427 AromaticContact CZ-CD1 3.67Å; F415-W427 HydrophobicContact CZ-CD2 4.31Å; F415-W427 AromaticContact CZ-CG 3.49Å; F415-W427 HydrophobicContact CZ-CG 3.49Å; F415-W427 VanDerWaalsContact CZ-CG 3.49Å; F415-W427 PolarHBondContact N-O 2.75Å; F415-W427 PolarHBondContact O-N 2.77Å; F415-W429 HydrophobicContact CD1-CE3 4.16Å; F415-W429 HydrophobicContact CE1-CE3 4.35Å
416	V	96.1	Very high	94.2	Very high	3 Å²	3	33 Å²	33	2%	0.018	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	140.8	175.5	-174.8	0	0	0	0	107.8	V406 A407 V409 L424 R425 V426 L458 F476	V406-V416 CarbonylContact C-O 3.6Å; V406-V416 WeakPolarHBondContact CA-O 3.09Å; A407-V416 PolarHBondContact N-O 3.3Å; A407-V416 PolarHBondContact O-N 3Å; V409-V416 HydrophobicContact CB-CG2 4.19Å; V409-V416 HydrophobicContact CG2-CB 4.48Å; V409-V416 HydrophobicContact CG2-CG2 3.67Å; V416-L424 HydrophobicContact CG1-CD2 3.47Å; V416-L424 VanDerWaalsContact CG1-CD2 3.47Å; V416-R425 WeakPolarHBondContact CA-O 3.43Å; V416-V426 HydrophobicContact CG2-CG1 4.33Å; V416-V426 HydrophobicContact CG2-CG2 4.12Å; V416-L458 HydrophobicContact CB-CD2 4.22Å; V416-L458 HydrophobicContact CG1-CD2 3.76Å; V416-L458 HydrophobicContact CG2-CD2 4.24Å; V416-F476 HydrophobicContact CG2-CD1 4.14Å; V416-F476 HydrophobicContact CG2-CE1 3.5Å; V416-F476 HydrophobicContact CG2-CZ 4.25Å
417	S	96.3	Very high	94.3	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	140.6	177	59	0	0	0	0	110.2	I382 H399 A405 L424 R425 W427	I382-S417 VanDerWaalsContact CD1-CB 3.47Å; H399-S417 PolarHBondContact CE1-OG 3.15Å; H399-S417 WeakPolarHBondContact NE2-CB 3.41Å; H399-S417 PolarHBondContact NE2-OG 3.15Å; A405-S417 WeakPolarHBondContact O-CA 3.47Å; S417-L424 WeakPolarHBondContact O-CA 3.5Å; S417-R425 PolarHBondContact N-O 2.9Å; S417-R425 PolarHBondContact O-N 3.4Å; S417-R425 PolarHBondContact OG-O 2.66Å; S417-R425 VanDerWaalsContact OG-O 3.07Å; S417-W427 PolarHBondContact OG-NE1 2.74Å
418	T	95.7	Very high	94.2	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	149.8	172.2	50.9	0	0	0	0	110.6	V403 N404 A405 L424 M446 V449	V403-T418 CarbonylContact C-O 3.59Å; V403-T418 WeakPolarHBondContact CA-O 3.36Å; V403-T418 WeakPolarHBondContact CG1-O 3.34Å; N404-T418 PolarHBondContact N-O 2.99Å; A405-T418 PolarHBondContact N-OG1 2.96Å; A405-T418 PolarHBondContact O-N 2.84Å; A405-T418 PolarHBondContact O-OG1 3.08Å; T418-L424 HydrophobicContact CG2-CD2 3.18Å; T418-L424 HydrophobicContact CG2-CG 4Å; T418-M446 WeakPolarHBondContact CB-O 3.04Å; T418-M446 HydrophobicContact CG2-CB 3.68Å; T418-M446 WeakPolarHBondContact CG2-O 3.36Å; T418-M446 PolarHBondContact OG1-O 3.16Å; T418-V449 HydrophobicContact CG2-CG2 3.34Å
419	S	95.5	Very high	94.2	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	169.6	173.2	64.3	0	0	0	0	112.2	H399 A402 D421 K422 S423	H399-S419 PolarHBondContact CE1-OG 3.38Å; H399-S419 WeakPolarHBondContact ND1-CB 3.38Å; H399-S419 PolarHBondContact ND1-OG 2.98Å; A402-S419 CarbonylContact O-C 3.58Å; A402-S419 WeakPolarHBondContact O-CA 3.34Å; A402-S419 WeakPolarHBondContact O-CB 3.05Å; S419-D421 PolarHBondContact O-N 2.85Å; S419-D421 PolarHBondContact OG-OD1 2.82Å; S419-D421 PolarHBondContact OG-OD2 2.53Å; S419-K422 PolarHBondContact O-N 2.82Å; S419-S423 PolarHBondContact N-O 2.81Å
420	D	94.2	Very high	94.1	Very high	84 Å²	84	38.5 Å²	38.5	45%	0.449	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-12.3	178.5	-74.7	-24.6	0	0	0	114.2	A402 N404 K422 S445	A402-D420 PolarHBondContact O-N 2.82Å; N404-D420 PolarHBondContact ND2-OD1 3.02Å; N404-D420 PolarHBondContact OD1-OD1 2.96Å; D420-K422 PolarHBondContact O-N 2.93Å; D420-K422 VanDerWaalsContact O-N 3.12Å; D420-S445 PolarHBondContact OD1-OG 2.82Å
421	D	93.5	Very high	94.3	Very high	38 Å²	38	40.3 Å²	40.3	20%	0.203	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	6.4	174.6	73.5	13.4	0	0	0	113.3	H399 L400 S419 S423 R425	H399-D421 IonicContact ND1-OD2 3.96Å; L400-D421 HydrophobicContact CB-CB 3.87Å; L400-D421 WeakPolarHBondContact CB-OD2 3.22Å; L400-D421 PolarHBondContact N-OD2 3.36Å; S419-D421 PolarHBondContact O-N 2.85Å; S419-D421 PolarHBondContact OG-OD1 2.82Å; S419-D421 PolarHBondContact OG-OD2 2.53Å; D421-S423 PolarHBondContact O-N 3.47Å; D421-S423 WeakPolarHBondContact OD1-CA 3.48Å; D421-S423 WeakPolarHBondContact OD1-CB 3.34Å; D421-S423 PolarHBondContact OD1-N 2.86Å; D421-S423 PolarHBondContact OD1-OG 2.81Å; D421-S423 PolarHBondContact OD2-OG 2.76Å; D421-R425 IonicContact OD1-NH1 2.76Å; D421-R425 IonicContact OD2-CZ 3.23Å; D421-R425 IonicContact OD2-NH1 2.86Å; D421-R425 PolarHBondContact OD2-NH1 3.39Å; D421-R425 IonicContact OD2-NH2 3.08Å
422	K	94.1	Very high	94.6	Very high	102 Å²	102	35.7 Å²	35.7	44%	0.443	17%	0.17	S	C	.	.	S	Bend	trans	67	18.3	-179.3	-46.4	173	-179.6	-176.8	0	113.6	S419 D420 L443	S419-K422 PolarHBondContact O-N 2.82Å; D420-K422 PolarHBondContact O-N 2.93Å; D420-K422 VanDerWaalsContact O-N 3.12Å; K422-L443 WeakPolarHBondContact CD-O 3.4Å
423	S	94.2	Very high	94.8	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.18	C	C	.	.			trans	-104.6	153.2	176.3	78.5	0	0	0	0	113.2	S419 D421 R425 Y437 L438	S419-S423 PolarHBondContact N-O 2.81Å; D421-S423 PolarHBondContact O-N 3.47Å; D421-S423 WeakPolarHBondContact OD1-CA 3.48Å; D421-S423 WeakPolarHBondContact OD1-CB 3.34Å; D421-S423 PolarHBondContact OD1-N 2.86Å; D421-S423 PolarHBondContact OD1-OG 2.81Å; D421-S423 PolarHBondContact OD2-OG 2.76Å; S423-R425 PolarHBondContact OG-NH1 2.9Å; S423-Y437 VanDerWaalsContact CB-CE2 3.49Å; S423-L438 WeakPolarHBondContact CA-O 3.47Å
424	L	94.9	Very high	94.8	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.005	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	123.5	163.2	-84.7	161.7	0	0	0	107.8	V416 S417 T418 L438 M446 L458 F470	V416-L424 HydrophobicContact CG1-CD2 3.47Å; V416-L424 VanDerWaalsContact CG1-CD2 3.47Å; S417-L424 WeakPolarHBondContact O-CA 3.5Å; T418-L424 HydrophobicContact CG2-CD2 3.18Å; T418-L424 HydrophobicContact CG2-CG 4Å; L424-L438 HydrophobicContact CB-CB 3.94Å; L424-L438 HydrophobicContact CB-CD1 4.23Å; L424-L438 PolarHBondContact N-O 3.5Å; L424-L438 WeakPolarHBondContact O-CB 3.46Å; L424-L438 PolarHBondContact O-N 3.01Å; L424-M446 HydrophobicContact CD1-CE 3.43Å; L424-M446 VanDerWaalsContact CD1-CE 3.43Å; L424-M446 HydrophobicContact CD1-SD 3.7Å; L424-M446 HydrophobicContact CD2-CE 4.35Å; L424-M446 HydrophobicContact CG-CE 3.45Å; L424-M446 VanDerWaalsContact CG-CE 3.45Å; L424-M446 HydrophobicContact CG-SD 4.19Å; L424-L458 HydrophobicContact CD2-CD2 4.43Å; L424-F470 HydrophobicContact CD1-CD2 3.86Å; L424-F470 HydrophobicContact CD1-CE1 4.02Å; L424-F470 HydrophobicContact CD1-CE2 3.26Å; L424-F470 HydrophobicContact CD1-CG 4.46Å; L424-F470 HydrophobicContact CD1-CZ 3.36Å
425	R	95.4	Very high	94.7	Very high	13 Å²	13	35.8 Å²	35.8	5%	0.049	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	128.7	172.3	-72	-176.4	173.6	88.1	-3.3	109.6	R398 H399 V416 S417 D421 S423 W427 D434 K436 Y437	R398-R425 PolarHBondContact O-NE 2.71Å; R398-R425 PolarHBondContact O-NH2 2.68Å; H399-R425 PolarHBondContact ND1-NH1 2.92Å; V416-R425 WeakPolarHBondContact CA-O 3.43Å; S417-R425 PolarHBondContact N-O 2.9Å; S417-R425 PolarHBondContact O-N 3.4Å; S417-R425 PolarHBondContact OG-O 2.66Å; S417-R425 VanDerWaalsContact OG-O 3.07Å; D421-R425 IonicContact OD1-NH1 2.76Å; D421-R425 IonicContact OD2-CZ 3.23Å; D421-R425 IonicContact OD2-NH1 2.86Å; D421-R425 PolarHBondContact OD2-NH1 3.39Å; D421-R425 IonicContact OD2-NH2 3.08Å; S423-R425 PolarHBondContact OG-NH1 2.9Å; R425-W427 HydrophobicContact CB-CZ2 3.87Å; R425-W427 HydrophobicContact CG-CZ2 4.43Å; R425-W427 PolarHBondContact O-NE1 2.89Å; R425-D434 HydrophobicContact CB-CB 4.33Å; R425-D434 HydrophobicContact CG-CB 4.38Å; R425-D434 IonicContact NE-OD2 3.87Å; R425-D434 PolarHBondContact NE-OD2 3.18Å; R425-K436 WeakPolarHBondContact CA-O 3.46Å; R425-Y437 HydrophobicContact CG-CD2 3.96Å
426	V	96.1	Very high	94.6	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.006	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	129.8	172.7	-171.1	0	0	0	0	108.1	R414 F415 V416 D434 F435 K436 F476	R414-V426 HydrophobicContact CB-CG1 4.32Å; F415-V426 WeakPolarHBondContact O-CA 3.4Å; V416-V426 HydrophobicContact CG2-CG1 4.33Å; V416-V426 HydrophobicContact CG2-CG2 4.12Å; V426-D434 CarbonylContact O-C 3.58Å; V426-F435 PolarHBondContact O-N 2.88Å; V426-K436 HydrophobicContact CB-CB 3.92Å; V426-K436 HydrophobicContact CG2-CB 3.94Å; V426-K436 PolarHBondContact N-O 3.07Å; V426-K436 PolarHBondContact O-N 2.73Å; V426-F476 HydrophobicContact CB-CE2 4.33Å; V426-F476 HydrophobicContact CB-CZ 4.44Å; V426-F476 HydrophobicContact CG1-CD2 4.29Å; V426-F476 HydrophobicContact CG1-CE1 4.16Å; V426-F476 HydrophobicContact CG1-CE2 3.62Å; V426-F476 HydrophobicContact CG1-CZ 3.53Å; V426-F476 HydrophobicContact CG2-CB 4.43Å; V426-F476 HydrophobicContact CG2-CD1 3.86Å; V426-F476 HydrophobicContact CG2-CD2 3.84Å; V426-F476 HydrophobicContact CG2-CE1 3.98Å; V426-F476 HydrophobicContact CG2-CE2 4Å; V426-F476 HydrophobicContact CG2-CG 3.78Å; V426-F476 HydrophobicContact CG2-CZ 4.06Å
427	W	96.2	Very high	94.5	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	144.9	-176.6	-51.6	90.1	0	0	0	109.4	I382 Y396 R398 H399 R414 F415 S417 R425 P432 D434	I382-W427 HydrophobicContact CD1-CZ2 4.43Å; Y396-W427 AromaticContact CD1-CD2 3.86Å; Y396-W427 HydrophobicContact CD1-CD2 3.86Å; Y396-W427 AromaticContact CD1-CE3 3.48Å; Y396-W427 HydrophobicContact CD1-CE3 3.48Å; Y396-W427 VanDerWaalsContact CD1-CE3 3.48Å; Y396-W427 HydrophobicContact CD1-CG 4.34Å; Y396-W427 AromaticContact CD1-CZ3 3.86Å; Y396-W427 HydrophobicContact CD1-CZ3 3.86Å; Y396-W427 HydrophobicContact CE1-CB 4.38Å; Y396-W427 HydrophobicContact CE1-CE3 4.25Å; Y396-W427 HydrophobicContact CG-CE3 4.32Å; Y396-W427 HydrophobicContact CG-CZ3 4.43Å; R398-W427 HydrophobicContact CB-CH2 3.6Å; R398-W427 HydrophobicContact CB-CZ2 4.45Å; R398-W427 HydrophobicContact CB-CZ3 4.32Å; R398-W427 HydrophobicContact CG-CH2 3.73Å; R398-W427 HydrophobicContact CG-CZ3 3.96Å; H399-W427 AromaticContact CD2-CZ2 3.96Å; R414-W427 WeakPolarHBondContact CA-O 3.36Å; R414-W427 WeakPolarHBondContact CB-O 3.27Å; R414-W427 WeakPolarHBondContact CG-O 3.38Å; F415-W427 HydrophobicContact CD1-CB 3.94Å; F415-W427 HydrophobicContact CD2-CB 4.14Å; F415-W427 AromaticContact CD2-CD1 3.55Å; F415-W427 HydrophobicContact CD2-CG 4.12Å; F415-W427 HydrophobicContact CE1-CB 3.48Å; F415-W427 VanDerWaalsContact CE1-CB 3.48Å; F415-W427 HydrophobicContact CE1-CG 4.15Å; F415-W427 HydrophobicContact CE2-CB 3.71Å; F415-W427 AromaticContact CE2-CD1 3.12Å; F415-W427 HydrophobicContact CE2-CD2 4.38Å; F415-W427 AromaticContact CE2-CG 3.48Å; F415-W427 HydrophobicContact CE2-CG 3.48Å; F415-W427 VanDerWaalsContact CE2-CG 3.48Å; F415-W427 AromaticContact CE2-NE1 3.8Å; F415-W427 HydrophobicContact CG-CB 4.26Å; F415-W427 HydrophobicContact CZ-CB 3.35Å; F415-W427 AromaticContact CZ-CD1 3.67Å; F415-W427 HydrophobicContact CZ-CD2 4.31Å; F415-W427 AromaticContact CZ-CG 3.49Å; F415-W427 HydrophobicContact CZ-CG 3.49Å; F415-W427 VanDerWaalsContact CZ-CG 3.49Å; F415-W427 PolarHBondContact N-O 2.75Å; F415-W427 PolarHBondContact O-N 2.77Å; S417-W427 PolarHBondContact OG-NE1 2.74Å; R425-W427 HydrophobicContact CB-CZ2 3.87Å; R425-W427 HydrophobicContact CG-CZ2 4.43Å; R425-W427 PolarHBondContact O-NE1 2.89Å; W427-P432 WeakPolarHBondContact CZ3-O 3.44Å; W427-D434 HydrophobicContact CD2-CB 4.37Å; W427-D434 HydrophobicContact CE3-CB 4Å; W427-D434 HydrophobicContact CH2-CB 4.28Å; W427-D434 HydrophobicContact CZ3-CB 3.95Å
428	E	95.1	Very high	94.4	Very high	46 Å²	46	46.7 Å²	46.7	22%	0.215	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	142	161.1	-170.1	152.3	-162	0	0	108.5	R413 D430 I431	R413-E428 IonicContact CZ-OE1 3.24Å; R413-E428 VanDerWaalsContact CZ-OE1 3.24Å; R413-E428 IonicContact NE-OE1 2.93Å; R413-E428 PolarHBondContact NE-OE1 3.5Å; R413-E428 IonicContact NH2-OE1 2.71Å; R413-E428 PolarHBondContact NH2-OE1 2.99Å; E428-D430 PolarHBondContact O-N 3.42Å; E428-I431 HydrophobicContact CB-CB 4.33Å; E428-I431 HydrophobicContact CB-CD1 4.1Å; E428-I431 HydrophobicContact CB-CG1 4.47Å; E428-I431 HydrophobicContact CG-CD1 3.91Å; E428-I431 PolarHBondContact O-N 2.98Å
429	W	94.2	Very high	94.2	Very high	29 Å²	29	49 Å²	49	11%	0.11	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	138.3	179	-177.1	-98.9	0	0	0	110.3	N364 L372 L374 F408 R413 F415 I431	N364-W429 HydrophobicContact CB-CH2 3.89Å; N364-W429 HydrophobicContact CB-CZ2 4.26Å; N364-W429 HydrophobicContact CB-CZ3 4.38Å; N364-W429 VanDerWaalsContact ND2-CH2 3.35Å; N364-W429 WeakPolarHBondContact ND2-CH2 3.29Å; N364-W429 WeakPolarHBondContact ND2-CZ2 3.27Å; L372-W429 HydrophobicContact CB-CH2 4.11Å; L372-W429 HydrophobicContact CB-CZ2 3.82Å; L372-W429 HydrophobicContact CD1-CZ2 3.67Å; L372-W429 HydrophobicContact CG-CZ2 4.36Å; L374-W429 HydrophobicContact CD1-CZ3 3.84Å; L374-W429 HydrophobicContact CD2-CH2 4.26Å; L374-W429 HydrophobicContact CD2-CZ3 3.98Å; L374-W429 HydrophobicContact CG-CH2 4.28Å; L374-W429 HydrophobicContact CG-CZ3 3.84Å; F408-W429 AromaticContact CE1-CE3 3.68Å; F408-W429 HydrophobicContact CE1-CE3 3.68Å; F408-W429 AromaticContact CE1-CZ3 3.52Å; F408-W429 HydrophobicContact CE1-CZ3 3.52Å; F408-W429 HydrophobicContact CZ-CE3 4.24Å; F408-W429 HydrophobicContact CZ-CH2 4.39Å; F408-W429 AromaticContact CZ-CZ3 3.6Å; F408-W429 HydrophobicContact CZ-CZ3 3.6Å; R413-W429 WeakPolarHBondContact O-CB 3.42Å; R413-W429 PolarHBondContact O-N 2.85Å; F415-W429 HydrophobicContact CD1-CE3 4.16Å; F415-W429 HydrophobicContact CE1-CE3 4.35Å; W429-I431 PolarHBondContact O-N 2.92Å
430	D	92.5	Very high	93.9	Very high	88 Å²	88	51.9 Å²	51.9	47%	0.471	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.6	-13.6	179.8	-151.9	25.4	0	0	0	117	Q394 Y396 E428	Q394-D430 PolarHBondContact NE2-O 2.97Å; Y396-D430 WeakPolarHBondContact OH-CA 3.11Å; Y396-D430 PolarHBondContact OH-N 2.85Å; E428-D430 PolarHBondContact O-N 3.42Å
431	I	94.7	Very high	93.8	Very high	78 Å²	78	54.2 Å²	54.2	40%	0.4	28%	0.282	S	S	.	.			trans	-96	117.5	-178.7	-56.9	178.3	0	0	0	110.1	Y396 E428 W429 V433	Y396-I431 WeakPolarHBondContact CE1-O 3.48Å; E428-I431 HydrophobicContact CB-CB 4.33Å; E428-I431 HydrophobicContact CB-CD1 4.1Å; E428-I431 HydrophobicContact CB-CG1 4.47Å; E428-I431 HydrophobicContact CG-CD1 3.91Å; E428-I431 PolarHBondContact O-N 2.98Å; W429-I431 PolarHBondContact O-N 2.92Å; I431-V433 HydrophobicContact CG2-CB 4.21Å; I431-V433 PolarHBondContact O-N 2.9Å
432	P	94.9	Very high	93.6	Very high	46 Å²	46	55 Å²	55	30%	0.299	29%	0.291	S	S	.	.			trans	-79.1	14.6	-172.2	34.7	-34	0	0	0	113.5	Q394 Q395 Y396 W427	Q394-P432 VanDerWaalsContact NE2-CD 3.32Å; Q395-P432 WeakPolarHBondContact O-CB 3.46Å; Y396-P432 HydrophobicContact CD1-CB 4.48Å; W427-P432 WeakPolarHBondContact CZ3-O 3.44Å
433	V	94.5	Very high	93.4	Very high	74 Å²	74	50.6 Å²	50.6	45%	0.448	27%	0.272	S	S	.	.	S	Bend	trans	-110	132.4	178.9	-177.8	0	0	0	0	108.1	I431 F435	I431-V433 HydrophobicContact CG2-CB 4.21Å; I431-V433 PolarHBondContact O-N 2.9Å; V433-F435 PolarHBondContact O-N 2.85Å
434	D	93.5	Very high	93.4	Very high	41 Å²	41	54.1 Å²	54.1	22%	0.219	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	119.4	176.9	49.6	-20.3	0	0	0	110.1	R425 V426 W427 K436	R425-D434 HydrophobicContact CB-CB 4.33Å; R425-D434 HydrophobicContact CG-CB 4.38Å; R425-D434 IonicContact NE-OD2 3.87Å; R425-D434 PolarHBondContact NE-OD2 3.18Å; V426-D434 CarbonylContact O-C 3.58Å; W427-D434 HydrophobicContact CD2-CB 4.37Å; W427-D434 HydrophobicContact CE3-CB 4Å; W427-D434 HydrophobicContact CH2-CB 4.28Å; W427-D434 HydrophobicContact CZ3-CB 3.95Å; D434-K436 VanDerWaalsContact C-N 3.3Å
435	F	90.7	Very high	93.3	Very high	107 Å²	107	54.6 Å²	54.6	47%	0.469	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	-38.4	174.1	168.8	-99.6	0	0	0	110.9	V426 V433	V426-F435 PolarHBondContact O-N 2.88Å; V433-F435 PolarHBondContact O-N 2.85Å
436	K	94.1	Very high	93.2	Very high	86 Å²	86	54 Å²	54	37%	0.374	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	123.9	179.9	-170.7	68.9	174.4	179.6	0	111.1	R425 V426 D434 L438	R425-K436 WeakPolarHBondContact CA-O 3.46Å; V426-K436 HydrophobicContact CB-CB 3.92Å; V426-K436 HydrophobicContact CG2-CB 3.94Å; V426-K436 PolarHBondContact N-O 3.07Å; V426-K436 PolarHBondContact O-N 2.73Å; D434-K436 VanDerWaalsContact C-N 3.3Å; K436-L438 HydrophobicContact CG-CD2 4.15Å; K436-L438 HydrophobicContact CG-CG 4.1Å
437	Y	94.2	Very high	93.1	Very high	114 Å²	114	54.7 Å²	54.7	45%	0.447	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	127.2	168.5	179.4	-114	0	0	0	110.1	S423 R425 A439	S423-Y437 VanDerWaalsContact CB-CE2 3.49Å; R425-Y437 HydrophobicContact CG-CD2 3.96Å; Y437-A439 HydrophobicContact CD1-CB 4.46Å; Y437-A439 HydrophobicContact CE1-CB 3.58Å; Y437-A439 HydrophobicContact CE2-CB 4.09Å; Y437-A439 WeakPolarHBondContact OH-CB 3.44Å
438	L	93.5	Very high	93	Very high	32 Å²	32	55 Å²	55	17%	0.168	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	102.5	176	-64.4	173.4	0	0	0	108.8	S423 L424 K436 F470 F476	S423-L438 WeakPolarHBondContact CA-O 3.47Å; L424-L438 HydrophobicContact CB-CB 3.94Å; L424-L438 HydrophobicContact CB-CD1 4.23Å; L424-L438 PolarHBondContact N-O 3.5Å; L424-L438 WeakPolarHBondContact O-CB 3.46Å; L424-L438 PolarHBondContact O-N 3.01Å; K436-L438 HydrophobicContact CG-CD2 4.15Å; K436-L438 HydrophobicContact CG-CG 4.1Å; L438-F470 HydrophobicContact CD1-CD1 4.25Å; L438-F470 HydrophobicContact CD1-CE1 4.32Å; L438-F476 HydrophobicContact CD1-CB 3.7Å; L438-F476 WeakPolarHBondContact CD1-O 3.36Å
439	A	91.8	Very high	93	Very high	49 Å²	49	54.1 Å²	54.1	41%	0.405	29%	0.294	S	S	.	.			trans	-135.9	133.6	168.2	0	0	0	0	0	108.6	Y437	Y437-A439 HydrophobicContact CD1-CB 4.46Å; Y437-A439 HydrophobicContact CE1-CB 3.58Å; Y437-A439 HydrophobicContact CE2-CB 4.09Å; Y437-A439 WeakPolarHBondContact OH-CB 3.44Å
440	D	89.5	Confident	93	Very high	60 Å²	60	53.5 Å²	53.5	32%	0.321	29%	0.294	S	S	.	.			trans	-136.6	133.3	176.8	175.8	-24.7	0	0	0	104.6	S442 L443 R478	D440-S442 PolarHBondContact O-N 2.89Å; D440-S442 WeakPolarHBondContact OD1-CB 3.36Å; D440-S442 PolarHBondContact OD1-N 3.38Å; D440-S442 PolarHBondContact OD1-OG 2.89Å; D440-S442 PolarHBondContact OD2-OG 2.88Å; D440-L443 HydrophobicContact CB-CD1 3.93Å; D440-L443 HydrophobicContact CB-CG 4Å; D440-L443 WeakPolarHBondContact O-CB 3.17Å; D440-L443 PolarHBondContact O-N 2.87Å; D440-R478 IonicContact OD2-NH2 3.09Å; D440-R478 PolarHBondContact OD2-NH2 3Å
441	P	91.9	Very high	93.1	Very high	133 Å²	133	51.5 Å²	51.5	86%	0.864	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-22.7	179.5	-27	35	0	0	0	113.9	L443	P441-L443 VanDerWaalsContact C-N 3.35Å
442	S	89.2	Confident	93.1	Very high	56 Å²	56	48 Å²	48	39%	0.392	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-16	174.8	65.8	0	0	0	0	114.5	D440 H444	D440-S442 PolarHBondContact O-N 2.89Å; D440-S442 WeakPolarHBondContact OD1-CB 3.36Å; D440-S442 PolarHBondContact OD1-N 3.38Å; D440-S442 PolarHBondContact OD1-OG 2.89Å; D440-S442 PolarHBondContact OD2-OG 2.88Å; S442-H444 PolarHBondContact O-ND1 3.42Å
443	L	90.8	Very high	93	Very high	9 Å²	9	49.3 Å²	49.3	5%	0.047	28%	0.276	C	S	.	.			trans	-76.8	147	176.9	-69.9	170.5	0	0	0	110.8	K422 D440 P441 F470	K422-L443 WeakPolarHBondContact CD-O 3.4Å; D440-L443 HydrophobicContact CB-CD1 3.93Å; D440-L443 HydrophobicContact CB-CG 4Å; D440-L443 WeakPolarHBondContact O-CB 3.17Å; D440-L443 PolarHBondContact O-N 2.87Å; P441-L443 VanDerWaalsContact C-N 3.35Å; L443-F470 HydrophobicContact CD2-CZ 4.32Å
444	H	93	Very high	92.9	Very high	74 Å²	74	49 Å²	49	34%	0.343	27%	0.272	S	S	.	.			trans	-111.8	170.7	171.2	-68.5	71.1	0	0	0	109.4	S442 M446 L463 D464	S442-H444 PolarHBondContact O-ND1 3.42Å; H444-M446 PolarHBondContact O-N 3.4Å; H444-L463 HydrophobicContact CB-CB 4.3Å; H444-D464 HydrophobicContact CB-CB 4.46Å
445	S	93.4	Very high	92.8	Very high	10 Å²	10	48 Å²	48	7%	0.07	27%	0.271	C	S	.	.			trans	-57.3	141.5	174.8	-179.5	0	0	0	0	109.4	N404 D420 P447 L463	N404-S445 PolarHBondContact ND2-OG 3.17Å; N404-S445 VanDerWaalsContact ND2-OG 3.16Å; D420-S445 PolarHBondContact OD1-OG 2.82Å; S445-P447 WeakPolarHBondContact O-CD 3.46Å; S445-L463 WeakPolarHBondContact O-CG 3.47Å; S445-L463 PolarHBondContact O-N 2.52Å
446	M	93.8	Very high	93	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.005	27%	0.27	C	S	.	.			trans	-117.5	90.8	-178.2	-74.6	167.6	-76.6	0	0	108.8	T418 L424 H444 A448 C460 Q461 F470	T418-M446 WeakPolarHBondContact CB-O 3.04Å; T418-M446 HydrophobicContact CG2-CB 3.68Å; T418-M446 WeakPolarHBondContact CG2-O 3.36Å; T418-M446 PolarHBondContact OG1-O 3.16Å; L424-M446 HydrophobicContact CD1-CE 3.43Å; L424-M446 VanDerWaalsContact CD1-CE 3.43Å; L424-M446 HydrophobicContact CD1-SD 3.7Å; L424-M446 HydrophobicContact CD2-CE 4.35Å; L424-M446 HydrophobicContact CG-CE 3.45Å; L424-M446 VanDerWaalsContact CG-CE 3.45Å; L424-M446 HydrophobicContact CG-SD 4.19Å; H444-M446 PolarHBondContact O-N 3.4Å; M446-A448 VanDerWaalsContact C-N 3.35Å; M446-C460 HydrophobicContact CB-CB 4.13Å; M446-C460 HydrophobicContact CG-CB 3.83Å; M446-C460 HydrophobicContact SD-CB 3.37Å; M446-C460 WeakPolarHBondContact SD-CB 3.46Å; M446-Q461 WeakPolarHBondContact CA-O 3.32Å; M446-F470 HydrophobicContact SD-CE2 4.07Å; M446-F470 HydrophobicContact SD-CZ 4.45Å
447	P	93.9	Very high	93	Very high	15 Å²	15	46.2 Å²	46.2	10%	0.097	26%	0.262	C	S	.	.			trans	-76.4	-21.9	-172.2	30	-38	0	0	0	113.7	S445 Q461 L463 A493	S445-P447 WeakPolarHBondContact O-CD 3.46Å; P447-Q461 WeakPolarHBondContact CD-O 3.24Å; P447-L463 HydrophobicContact CG-CD2 3.76Å; P447-L463 HydrophobicContact CG-CG 4.28Å; P447-A493 HydrophobicContact CB-CB 3.7Å; P447-A493 HydrophobicContact CG-CB 4.24Å
448	A	94	Very high	93.1	Very high	8 Å²	8	40.9 Å²	40.9	7%	0.066	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	138.4	176.9	0	0	0	0	0	111.7	M446 Q461 C494	M446-A448 VanDerWaalsContact C-N 3.35Å; A448-Q461 HydrophobicContact CB-CB 4.15Å; A448-Q461 PolarHBondContact O-N 3.24Å; A448-C494 VanDerWaalsContact CB-O 3.31Å; A448-C494 WeakPolarHBondContact CB-O 3.37Å
449	V	94.6	Very high	93.2	Very high	27 Å²	27	39.3 Å²	39.3	16%	0.164	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	134	-178.3	-179.2	0	0	0	0	108.9	A405 A407 T418 L458 C460	A405-V449 HydrophobicContact CB-CB 4.29Å; A405-V449 HydrophobicContact CB-CG2 4.16Å; A407-V449 HydrophobicContact CB-CG1 3.91Å; T418-V449 HydrophobicContact CG2-CG2 3.34Å; V449-L458 HydrophobicContact CG1-CD1 3.35Å; V449-L458 HydrophobicContact CG1-CD2 4Å; V449-L458 HydrophobicContact CG1-CG 3.67Å; V449-C460 HydrophobicContact CG2-CB 4.48Å
450	S	95.1	Very high	93.4	Very high	16 Å²	16	37 Å²	37	11%	0.112	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	151.3	173.7	59.2	0	0	0	0	110.6	I459 V496	S450-I459 PolarHBondContact N-O 3.35Å; S450-I459 PolarHBondContact O-N 2.9Å; S450-I459 PolarHBondContact OG-O 3.18Å; S450-V496 WeakPolarHBondContact CB-O 3.44Å; S450-V496 PolarHBondContact OG-O 3.33Å
451	V	94.9	Very high	93.6	Very high	45 Å²	45	34.1 Å²	34.1	27%	0.273	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	139.8	177.3	-178.8	0	0	0	0	107.8	A407 F408 V409 L458 I472	A407-V451 HydrophobicContact CB-CG2 3.95Å; F408-V451 WeakPolarHBondContact O-CG2 3.47Å; V409-V451 HydrophobicContact CG2-CG2 3.97Å; V451-L458 HydrophobicContact CG2-CD1 3.76Å; V451-I472 HydrophobicContact CG1-CD1 4.28Å
452	S	94.8	Very high	93.7	Very high	4 Å²	4	27.9 Å²	27.9	3%	0.028	16%	0.158	C	C	.	.			trans	-62.6	148.7	175.3	61.2	0	0	0	0	111.6	N454 G455 K456 Y457 M498	S452-N454 WeakPolarHBondContact CB-OD1 3.4Å; S452-N454 PolarHBondContact O-N 2.98Å; S452-N454 PolarHBondContact OG-OD1 3.37Å; S452-G455 PolarHBondContact O-N 3.15Å; S452-K456 PolarHBondContact OG-N 3.34Å; S452-K456 VanDerWaalsContact OG-N 3.16Å; S452-Y457 WeakPolarHBondContact CB-O 3.38Å; S452-Y457 PolarHBondContact N-O 2.75Å; S452-Y457 PolarHBondContact OG-N 2.84Å; S452-Y457 PolarHBondContact OG-O 3.47Å; S452-M498 VanDerWaalsContact CA-CE 3.47Å
453	P	92.4	Very high	94	Very high	75 Å²	75	27.9 Å²	27.9	49%	0.487	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-20.7	178.6	-29.8	32.9	0	0	0	116.5	M502	P453-M502 HydrophobicContact CB-CE 3.75Å; P453-M502 HydrophobicContact CG-CE 4.11Å
454	N	91	Very high	94	Very high	68 Å²	68	29.6 Å²	29.6	36%	0.364	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	1.3	176.8	66.4	3.1	0	0	0	113.5	S452 K456 M502	S452-N454 WeakPolarHBondContact CB-OD1 3.4Å; S452-N454 PolarHBondContact O-N 2.98Å; S452-N454 PolarHBondContact OG-OD1 3.37Å; N454-K456 HydrophobicContact CB-CG 4.41Å; N454-K456 PolarHBondContact O-N 2.99Å; N454-K456 VanDerWaalsContact O-N 3.15Å; N454-K456 WeakPolarHBondContact OD1-CB 3.35Å; N454-K456 PolarHBondContact OD1-N 3.06Å; N454-M502 HydrophobicContact CB-CE 3.28Å; N454-M502 HydrophobicContact CB-SD 4.21Å; N454-M502 VanDerWaalsContact ND2-CE 3.33Å; N454-M502 WeakPolarHBondContact ND2-CE 3.49Å; N454-M502 PolarHBondContact ND2-SD 2.86Å; N454-M502 WeakPolarHBondContact OD1-CE 3.29Å
455	G	92.6	Very high	94	Very high	20 Å²	20	28.9 Å²	28.9	21%	0.206	16%	0.161	C	C	.	.	S	Bend	trans	67.3	8.4	-177.7	0	0	0	0	0	116.2	S452 I472	S452-G455 PolarHBondContact O-N 3.15Å; G455-I472 WeakPolarHBondContact O-CD1 3.01Å
456	K	93.9	Very high	94	Very high	101 Å²	101	30.1 Å²	30.1	44%	0.439	17%	0.166	S	C	.	.	S	Bend	trans	-85.1	-29	-177	-64.4	-173.7	179.8	177.8	0	114.2	S452 N454 I472 F473	S452-K456 PolarHBondContact OG-N 3.34Å; S452-K456 VanDerWaalsContact OG-N 3.16Å; N454-K456 HydrophobicContact CB-CG 4.41Å; N454-K456 PolarHBondContact O-N 2.99Å; N454-K456 VanDerWaalsContact O-N 3.15Å; N454-K456 WeakPolarHBondContact OD1-CB 3.35Å; N454-K456 PolarHBondContact OD1-N 3.06Å; K456-I472 WeakPolarHBondContact O-CB 3.23Å; K456-I472 PolarHBondContact O-N 3.02Å; K456-F473 HydrophobicContact CB-CD2 4.07Å; K456-F473 HydrophobicContact CB-CE2 4.16Å; K456-F473 HydrophobicContact CG-CD2 3.79Å; K456-F473 HydrophobicContact CG-CE2 3.61Å
457	Y	95.5	Very high	94.1	Very high	54 Å²	54	30.1 Å²	30.1	21%	0.212	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	140.5	-173.4	-54.5	-70.3	0	0	0	111	S452 V469 F470 N471 W519	S452-Y457 WeakPolarHBondContact CB-O 3.38Å; S452-Y457 PolarHBondContact N-O 2.75Å; S452-Y457 PolarHBondContact OG-N 2.84Å; S452-Y457 PolarHBondContact OG-O 3.47Å; Y457-V469 HydrophobicContact CD1-CG1 4.12Å; Y457-V469 HydrophobicContact CG-CG1 4.39Å; Y457-F470 WeakPolarHBondContact CA-O 3.49Å; Y457-N471 HydrophobicContact CD1-CB 4.37Å; Y457-N471 HydrophobicContact CE1-CB 4.4Å; Y457-W519 HydrophobicContact CD1-CH2 4.46Å; Y457-W519 HydrophobicContact CD1-CZ2 4.14Å; Y457-W519 HydrophobicContact CD2-CH2 4.13Å; Y457-W519 AromaticContact CD2-CZ2 3.53Å; Y457-W519 HydrophobicContact CD2-CZ2 3.53Å; Y457-W519 HydrophobicContact CE1-CZ2 4.41Å; Y457-W519 AromaticContact CE2-CZ2 3.82Å; Y457-W519 HydrophobicContact CE2-CZ2 3.82Å; Y457-W519 AromaticContact CG-CH2 3.93Å; Y457-W519 HydrophobicContact CG-CH2 3.93Å; Y457-W519 AromaticContact CG-CZ2 3.7Å; Y457-W519 HydrophobicContact CG-CZ2 3.7Å
458	L	95.7	Very high	94.1	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.005	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	127.1	169.4	-169.4	77.4	0	0	0	107.4	A407 V409 V416 L424 V449 V451 V469 F470 I472	A407-L458 HydrophobicContact CB-CD1 4.38Å; V409-L458 HydrophobicContact CG2-CD1 4.14Å; V416-L458 HydrophobicContact CB-CD2 4.22Å; V416-L458 HydrophobicContact CG1-CD2 3.76Å; V416-L458 HydrophobicContact CG2-CD2 4.24Å; L424-L458 HydrophobicContact CD2-CD2 4.43Å; V449-L458 HydrophobicContact CG1-CD1 3.35Å; V449-L458 HydrophobicContact CG1-CD2 4Å; V449-L458 HydrophobicContact CG1-CG 3.67Å; V451-L458 HydrophobicContact CG2-CD1 3.76Å; L458-V469 CarbonylContact O-C 3.56Å; L458-V469 WeakPolarHBondContact O-CA 3.49Å; L458-F470 HydrophobicContact CB-CB 4.21Å; L458-F470 HydrophobicContact CD2-CD2 4.48Å; L458-F470 PolarHBondContact N-O 2.86Å; L458-F470 PolarHBondContact O-N 3.38Å; L458-I472 HydrophobicContact CB-CD1 4.28Å; L458-I472 HydrophobicContact CB-CG1 4.24Å
459	I	96	Very high	94.2	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	117	177.8	-49.4	179.4	0	0	0	107.9	S450 L467 V469 V496 M498 V505 W519	S450-I459 PolarHBondContact N-O 3.35Å; S450-I459 PolarHBondContact O-N 2.9Å; S450-I459 PolarHBondContact OG-O 3.18Å; I459-L467 HydrophobicContact CG2-CB 4.16Å; I459-V469 HydrophobicContact CG1-CG2 4.26Å; I459-V469 HydrophobicContact CG2-CG2 4.43Å; I459-V496 HydrophobicContact CB-CG1 4.27Å; I459-V496 HydrophobicContact CG2-CG1 3.68Å; I459-M498 HydrophobicContact CD1-CE 3.89Å; I459-M498 HydrophobicContact CD1-CG 3.39Å; I459-M498 HydrophobicContact CD1-SD 3.38Å; I459-M498 WeakPolarHBondContact CD1-SD 3.34Å; I459-V505 HydrophobicContact CD1-CG1 4.39Å; I459-V505 HydrophobicContact CD1-CG2 4.33Å; I459-W519 HydrophobicContact CD1-CH2 4.3Å; I459-W519 HydrophobicContact CD1-CZ3 3.7Å; I459-W519 HydrophobicContact CG1-CZ3 4.26Å
460	C	95	Very high	94.3	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	129.6	-179.8	-55.9	0	0	0	0	108.8	M446 V449 S462 L467 V468 F470	M446-C460 HydrophobicContact CB-CB 4.13Å; M446-C460 HydrophobicContact CG-CB 3.83Å; M446-C460 HydrophobicContact SD-CB 3.37Å; M446-C460 WeakPolarHBondContact SD-CB 3.46Å; V449-C460 HydrophobicContact CG2-CB 4.48Å; C460-S462 PolarHBondContact O-N 2.86Å; C460-L467 WeakPolarHBondContact O-CA 3.42Å; C460-V468 PolarHBondContact N-O 3.2Å; C460-V468 PolarHBondContact O-N 3.22Å; C460-F470 HydrophobicContact CB-CE2 4.33Å
461	Q	94.5	Very high	94.3	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	118.3	167.3	-172	-141.9	12.4	0	0	107.7	M446 P447 A448 L467 V489 Y492 C494 V496	M446-Q461 WeakPolarHBondContact CA-O 3.32Å; P447-Q461 WeakPolarHBondContact CD-O 3.24Å; A448-Q461 HydrophobicContact CB-CB 4.15Å; A448-Q461 PolarHBondContact O-N 3.24Å; Q461-L467 HydrophobicContact CB-CD2 4.02Å; Q461-L467 HydrophobicContact CG-CD2 3.96Å; Q461-V489 HydrophobicContact CG-CG2 4.13Å; Q461-Y492 PolarHBondContact NE2-O 2.87Å; Q461-Y492 PolarHBondContact OE1-O 2.84Å; Q461-C494 VanDerWaalsContact NE2-CB 3.29Å; Q461-C494 PolarHBondContact OE1-O 3.03Å; Q461-V496 HydrophobicContact CB-CG2 3.87Å; Q461-V496 HydrophobicContact CG-CG2 4.45Å
462	S	94.2	Very high	94.2	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.007	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	141.6	178.5	172.7	0	0	0	0	109.8	C460 D464 N465 Q466	C460-S462 PolarHBondContact O-N 2.86Å; S462-D464 WeakPolarHBondContact CB-OD1 3.35Å; S462-D464 PolarHBondContact O-N 3.38Å; S462-D464 PolarHBondContact OG-OD1 3.08Å; S462-N465 PolarHBondContact O-N 3.31Å; S462-Q466 WeakPolarHBondContact CB-O 3.49Å; S462-Q466 PolarHBondContact N-O 3.29Å
463	L	93.8	Very high	94	Very high	57 Å²	57	32.9 Å²	32.9	30%	0.298	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-7.4	-178.7	-71.7	-173.9	0	0	0	114.4	H444 S445 P447 N465 V489	H444-L463 HydrophobicContact CB-CB 4.3Å; S445-L463 WeakPolarHBondContact O-CG 3.47Å; S445-L463 PolarHBondContact O-N 2.52Å; P447-L463 HydrophobicContact CG-CD2 3.76Å; P447-L463 HydrophobicContact CG-CG 4.28Å; L463-N465 PolarHBondContact O-N 2.76Å; L463-V489 HydrophobicContact CD2-CG1 3.89Å
464	D	92.4	Very high	93.9	Very high	45 Å²	45	31.9 Å²	31.9	24%	0.241	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	18.7	171.8	71.9	-25.2	0	0	0	113.7	H444 S462 Q466	H444-D464 HydrophobicContact CB-CB 4.46Å; S462-D464 WeakPolarHBondContact CB-OD1 3.35Å; S462-D464 PolarHBondContact O-N 3.38Å; S462-D464 PolarHBondContact OG-OD1 3.08Å; D464-Q466 VanDerWaalsContact C-N 3.34Å; D464-Q466 PolarHBondContact OD2-NE2 3.29Å; D464-Q466 VanDerWaalsContact OD2-NE2 3.14Å
465	N	93.1	Very high	93.8	Very high	59 Å²	59	30.6 Å²	30.6	32%	0.316	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.1	34.2	-179.4	-59.7	-35.2	0	0	0	113.3	S462 L463 H487 V489	S462-N465 PolarHBondContact O-N 3.31Å; L463-N465 PolarHBondContact O-N 2.76Å; N465-H487 WeakPolarHBondContact CB-O 3.42Å; N465-V489 WeakPolarHBondContact OD1-CB 3.33Å; N465-V489 PolarHBondContact OD1-N 2.78Å
466	Q	93.5	Very high	93.7	Very high	36 Å²	36	29.8 Å²	29.8	17%	0.168	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	147.9	178.6	-48.2	-178	37.7	0	0	110.9	S462 D464 I483 F484 R485	S462-Q466 WeakPolarHBondContact CB-O 3.49Å; S462-Q466 PolarHBondContact N-O 3.29Å; D464-Q466 VanDerWaalsContact C-N 3.34Å; D464-Q466 PolarHBondContact OD2-NE2 3.29Å; D464-Q466 VanDerWaalsContact OD2-NE2 3.14Å; Q466-I483 HydrophobicContact CB-CG2 4.26Å; Q466-F484 WeakPolarHBondContact CA-O 3.47Å; Q466-R485 VanDerWaalsContact CD-NE 3.35Å; Q466-R485 HydrophobicContact CG-CG 4.06Å; Q466-R485 VanDerWaalsContact OE1-NH2 3.08Å
467	L	95.2	Very high	93.6	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	122.3	165.5	-47.9	179.1	0	0	0	108.3	I459 C460 Q461 F484 H487 V496 V505 W517	I459-L467 HydrophobicContact CG2-CB 4.16Å; C460-L467 WeakPolarHBondContact O-CA 3.42Å; Q461-L467 HydrophobicContact CB-CD2 4.02Å; Q461-L467 HydrophobicContact CG-CD2 3.96Å; L467-F484 HydrophobicContact CB-CB 3.94Å; L467-F484 HydrophobicContact CB-CD2 3.96Å; L467-F484 HydrophobicContact CB-CG 4.39Å; L467-F484 HydrophobicContact CD1-CB 4.1Å; L467-F484 HydrophobicContact CG-CB 4.12Å; L467-F484 PolarHBondContact N-O 3.02Å; L467-F484 PolarHBondContact O-N 3.18Å; L467-H487 VanDerWaalsContact CD2-CE1 3.45Å; L467-H487 WeakPolarHBondContact CD2-CE1 3.14Å; L467-V496 HydrophobicContact CD1-CG1 4.02Å; L467-V496 HydrophobicContact CD1-CG2 4.28Å; L467-V496 HydrophobicContact CD2-CG2 3.6Å; L467-V505 HydrophobicContact CD1-CG1 3.74Å; L467-W517 HydrophobicContact CD1-CE3 4.17Å; L467-W517 HydrophobicContact CD1-CH2 4.14Å; L467-W517 HydrophobicContact CD1-CZ3 3.78Å
468	V	94.5	Very high	93.4	Very high	7 Å²	7	33.1 Å²	33.1	4%	0.042	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	127.7	-179.3	-177.9	0	0	0	0	108.8	C460 F470 R478	C460-V468 PolarHBondContact N-O 3.2Å; C460-V468 PolarHBondContact O-N 3.22Å; V468-F470 HydrophobicContact CB-CE2 4.27Å; V468-F470 HydrophobicContact CG1-CD2 4.36Å; V468-F470 HydrophobicContact CG1-CE2 3.63Å; V468-F470 HydrophobicContact CG1-CZ 3.76Å; V468-R478 HydrophobicContact CG1-CG 3.84Å
469	V	96	Very high	93.3	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	133	179	-179.7	0	0	0	0	110.9	Y457 L458 I459 M479 K482 F484 W519	Y457-V469 HydrophobicContact CD1-CG1 4.12Å; Y457-V469 HydrophobicContact CG-CG1 4.39Å; L458-V469 CarbonylContact O-C 3.56Å; L458-V469 WeakPolarHBondContact O-CA 3.49Å; I459-V469 HydrophobicContact CG1-CG2 4.26Å; I459-V469 HydrophobicContact CG2-CG2 4.43Å; V469-M479 HydrophobicContact CB-CB 4.3Å; V469-M479 HydrophobicContact CG1-CB 4.34Å; V469-M479 HydrophobicContact CG1-CG 4.39Å; V469-M479 PolarHBondContact O-N 3.47Å; V469-K482 HydrophobicContact CB-CB 3.97Å; V469-K482 HydrophobicContact CG1-CB 4.48Å; V469-K482 HydrophobicContact CG2-CB 3.93Å; V469-F484 HydrophobicContact CG2-CD2 4.31Å; V469-F484 HydrophobicContact CG2-CE2 3.74Å; V469-W519 HydrophobicContact CB-CH2 4.41Å; V469-W519 HydrophobicContact CG1-CH2 3.62Å; V469-W519 HydrophobicContact CG1-CZ2 4.46Å; V469-W519 HydrophobicContact CG1-CZ3 4.39Å; V469-W519 HydrophobicContact CG2-CH2 3.9Å; V469-W519 HydrophobicContact CG2-CZ3 3.83Å
470	F	95.1	Very high	93.1	Very high	5 Å²	5	45.2 Å²	45.2	2%	0.022	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	138.8	169	-59.2	-92.6	0	0	0	110.1	L424 L438 L443 M446 Y457 L458 C460 V468 F476 R478	L424-F470 HydrophobicContact CD1-CD2 3.86Å; L424-F470 HydrophobicContact CD1-CE1 4.02Å; L424-F470 HydrophobicContact CD1-CE2 3.26Å; L424-F470 HydrophobicContact CD1-CG 4.46Å; L424-F470 HydrophobicContact CD1-CZ 3.36Å; L438-F470 HydrophobicContact CD1-CD1 4.25Å; L438-F470 HydrophobicContact CD1-CE1 4.32Å; L443-F470 HydrophobicContact CD2-CZ 4.32Å; M446-F470 HydrophobicContact SD-CE2 4.07Å; M446-F470 HydrophobicContact SD-CZ 4.45Å; Y457-F470 WeakPolarHBondContact CA-O 3.49Å; L458-F470 HydrophobicContact CB-CB 4.21Å; L458-F470 HydrophobicContact CD2-CD2 4.48Å; L458-F470 PolarHBondContact N-O 2.86Å; L458-F470 PolarHBondContact O-N 3.38Å; C460-F470 HydrophobicContact CB-CE2 4.33Å; V468-F470 HydrophobicContact CB-CE2 4.27Å; V468-F470 HydrophobicContact CG1-CD2 4.36Å; V468-F470 HydrophobicContact CG1-CE2 3.63Å; V468-F470 HydrophobicContact CG1-CZ 3.76Å; F470-F476 WeakPolarHBondContact CD1-O 3.17Å; F470-R478 HydrophobicContact CD1-CB 3.95Å; F470-R478 HydrophobicContact CE1-CB 3.75Å; F470-R478 HydrophobicContact CE1-CG 4.32Å
471	N	95.2	Very high	92.9	Very high	31 Å²	31	54 Å²	54	17%	0.166	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	116.5	172.7	-178.9	-20.2	0	0	0	109	Y457 F473 A474 F476 K477 M479	Y457-N471 HydrophobicContact CD1-CB 4.37Å; Y457-N471 HydrophobicContact CE1-CB 4.4Å; N471-F473 PolarHBondContact OD1-N 3.42Å; N471-A474 HydrophobicContact CB-CB 3.91Å; N471-A474 VanDerWaalsContact CG-CB 3.49Å; N471-A474 PolarHBondContact OD1-N 2.77Å; N471-A474 VanDerWaalsContact OD1-N 3.15Å; N471-F476 CarbonylContact O-C 3.57Å; N471-F476 WeakPolarHBondContact O-CA 3.31Å; N471-F476 PolarHBondContact O-N 3.41Å; N471-K477 PolarHBondContact N-O 3.46Å; N471-K477 PolarHBondContact O-N 2.87Å; N471-M479 HydrophobicContact CB-CG 4Å; N471-M479 HydrophobicContact CB-SD 4.17Å
472	I	93.7	Very high	92.8	Very high	6 Å²	6	55.7 Å²	55.7	3%	0.031	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-53.6	-174.5	-69.1	164.5	0	0	0	110.2	V409 V451 G455 K456 L458 A474 G475 F476	V409-I472 HydrophobicContact CG1-CB 4.01Å; V409-I472 HydrophobicContact CG1-CD1 3.56Å; V409-I472 HydrophobicContact CG1-CG1 3.67Å; V409-I472 HydrophobicContact CG1-CG2 3.17Å; V409-I472 HydrophobicContact CG2-CD1 4.2Å; V451-I472 HydrophobicContact CG1-CD1 4.28Å; G455-I472 WeakPolarHBondContact O-CD1 3.01Å; K456-I472 WeakPolarHBondContact O-CB 3.23Å; K456-I472 PolarHBondContact O-N 3.02Å; L458-I472 HydrophobicContact CB-CD1 4.28Å; L458-I472 HydrophobicContact CB-CG1 4.24Å; I472-A474 VanDerWaalsContact C-N 3.27Å; I472-A474 PolarHBondContact O-N 3.43Å; I472-G475 PolarHBondContact O-N 3.12Å; I472-F476 HydrophobicContact CB-CE1 4.37Å; I472-F476 HydrophobicContact CG1-CD1 4.37Å; I472-F476 HydrophobicContact CG1-CE1 4.05Å; I472-F476 HydrophobicContact CG2-CE1 4.17Å; I472-F476 HydrophobicContact CG2-CZ 4.08Å; I472-F476 PolarHBondContact O-N 3.21Å
473	F	90.4	Very high	92.8	Very high	124 Å²	124	58 Å²	58	54%	0.544	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-23.9	-177.2	-68.5	-75.2	0	0	0	113.4	K456 N471 G475	K456-F473 HydrophobicContact CB-CD2 4.07Å; K456-F473 HydrophobicContact CB-CE2 4.16Å; K456-F473 HydrophobicContact CG-CD2 3.79Å; K456-F473 HydrophobicContact CG-CE2 3.61Å; N471-F473 PolarHBondContact OD1-N 3.42Å; F473-G475 PolarHBondContact O-N 3.11Å
474	A	91.3	Very high	92.8	Very high	54 Å²	54	55.3 Å²	55.3	45%	0.446	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	33.5	174	0	0	0	0	0	112.9	N471 I472 K477	N471-A474 HydrophobicContact CB-CB 3.91Å; N471-A474 VanDerWaalsContact CG-CB 3.49Å; N471-A474 PolarHBondContact OD1-N 2.77Å; N471-A474 VanDerWaalsContact OD1-N 3.15Å; I472-A474 VanDerWaalsContact C-N 3.27Å; I472-A474 PolarHBondContact O-N 3.43Å; A474-K477 WeakPolarHBondContact O-CB 3.4Å; A474-K477 PolarHBondContact O-N 2.76Å
475	G	88.5	Confident	92.9	Very high	41 Å²	41	60.4 Å²	60.4	42%	0.423	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.2	37.8	178.7	0	0	0	0	0	113.5	I472 F473 K477	I472-G475 PolarHBondContact O-N 3.12Å; F473-G475 PolarHBondContact O-N 3.11Å; G475-K477 PolarHBondContact O-N 3.13Å
476	F	90.5	Very high	92.7	Very high	4 Å²	4	59.7 Å²	59.7	2%	0.018	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.7	34.6	-178	-57.8	-93.8	0	0	0	113.5	V409 V416 V426 L438 F470 N471 I472	V409-F476 HydrophobicContact CB-CE1 4.45Å; V409-F476 HydrophobicContact CG1-CE1 3.72Å; V409-F476 HydrophobicContact CG1-CZ 3.76Å; V416-F476 HydrophobicContact CG2-CD1 4.14Å; V416-F476 HydrophobicContact CG2-CE1 3.5Å; V416-F476 HydrophobicContact CG2-CZ 4.25Å; V426-F476 HydrophobicContact CB-CE2 4.33Å; V426-F476 HydrophobicContact CB-CZ 4.44Å; V426-F476 HydrophobicContact CG1-CD2 4.29Å; V426-F476 HydrophobicContact CG1-CE1 4.16Å; V426-F476 HydrophobicContact CG1-CE2 3.62Å; V426-F476 HydrophobicContact CG1-CZ 3.53Å; V426-F476 HydrophobicContact CG2-CB 4.43Å; V426-F476 HydrophobicContact CG2-CD1 3.86Å; V426-F476 HydrophobicContact CG2-CD2 3.84Å; V426-F476 HydrophobicContact CG2-CE1 3.98Å; V426-F476 HydrophobicContact CG2-CE2 4Å; V426-F476 HydrophobicContact CG2-CG 3.78Å; V426-F476 HydrophobicContact CG2-CZ 4.06Å; L438-F476 HydrophobicContact CD1-CB 3.7Å; L438-F476 WeakPolarHBondContact CD1-O 3.36Å; F470-F476 WeakPolarHBondContact CD1-O 3.17Å; N471-F476 CarbonylContact O-C 3.57Å; N471-F476 WeakPolarHBondContact O-CA 3.31Å; N471-F476 PolarHBondContact O-N 3.41Å; I472-F476 HydrophobicContact CB-CE1 4.37Å; I472-F476 HydrophobicContact CG1-CD1 4.37Å; I472-F476 HydrophobicContact CG1-CE1 4.05Å; I472-F476 HydrophobicContact CG2-CE1 4.17Å; I472-F476 HydrophobicContact CG2-CZ 4.08Å; I472-F476 PolarHBondContact O-N 3.21Å
477	K	91.6	Very high	92.7	Very high	151 Å²	151	58.3 Å²	58.3	66%	0.657	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.8	132.6	178.3	-172.6	173.3	-178.4	174.8	0	110.9	N471 A474 G475 M479	N471-K477 PolarHBondContact N-O 3.46Å; N471-K477 PolarHBondContact O-N 2.87Å; A474-K477 WeakPolarHBondContact O-CB 3.4Å; A474-K477 PolarHBondContact O-N 2.76Å; G475-K477 PolarHBondContact O-N 3.13Å; K477-M479 PolarHBondContact O-N 3.31Å
478	R	91.8	Very high	92.6	Very high	73 Å²	73	62.5 Å²	62.5	28%	0.275	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	126.1	173.3	-178.1	170.2	64	155	-11.6	111.1	D440 V468 F470 R480	D440-R478 IonicContact OD2-NH2 3.09Å; D440-R478 PolarHBondContact OD2-NH2 3Å; V468-R478 HydrophobicContact CG1-CG 3.84Å; F470-R478 HydrophobicContact CD1-CB 3.95Å; F470-R478 HydrophobicContact CE1-CB 3.75Å; F470-R478 HydrophobicContact CE1-CG 4.32Å; R478-R480 PolarHBondContact O-N 3.38Å
479	M	93.1	Very high	92.4	Very high	60 Å²	60	62.1 Å²	62.1	30%	0.296	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	91.2	176.5	-72.4	-70.4	-75.3	0	0	110.4	V469 N471 K477 K481 K482	V469-M479 HydrophobicContact CB-CB 4.3Å; V469-M479 HydrophobicContact CG1-CB 4.34Å; V469-M479 HydrophobicContact CG1-CG 4.39Å; V469-M479 PolarHBondContact O-N 3.47Å; N471-M479 HydrophobicContact CB-CG 4Å; N471-M479 HydrophobicContact CB-SD 4.17Å; K477-M479 PolarHBondContact O-N 3.31Å; M479-K481 PolarHBondContact O-N 3.48Å; M479-K482 HydrophobicContact CB-CB 4.06Å; M479-K482 HydrophobicContact CB-CG 4.33Å; M479-K482 HydrophobicContact CE-CG 4.46Å; M479-K482 PolarHBondContact O-N 3.33Å
480	R	90.6	Very high	91.8	Very high	196 Å²	196	65.2 Å²	65.2	74%	0.74	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.4	-23.3	-179.7	-67	-175.7	175.6	174.8	-1.9	114.6	R478 I483	R478-R480 PolarHBondContact O-N 3.38Å; R480-I483 WeakPolarHBondContact O-CD1 3.34Å
481	K	91.2	Very high	91.6	Very high	185 Å²	185	67.4 Å²	67.4	80%	0.804	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.8	-15.6	177.1	-63.2	-175.1	179.6	-177.4	0	113.4	M479	M479-K481 PolarHBondContact O-N 3.48Å
482	K	93.2	Very high	91.4	Very high	35 Å²	35	69.8 Å²	69.8	15%	0.152	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	82.9	-175.8	-64	-61	-175.2	-176	0	109.3	V469 M479 W519 K520 T522	V469-K482 HydrophobicContact CB-CB 3.97Å; V469-K482 HydrophobicContact CG1-CB 4.48Å; V469-K482 HydrophobicContact CG2-CB 3.93Å; M479-K482 HydrophobicContact CB-CB 4.06Å; M479-K482 HydrophobicContact CB-CG 4.33Å; M479-K482 HydrophobicContact CE-CG 4.46Å; M479-K482 PolarHBondContact O-N 3.33Å; K482-W519 PolarHBondContact NZ-O 2.95Å; K482-K520 PolarHBondContact NZ-O 2.92Å; K482-T522 HydrophobicContact CD-CG2 3.66Å
483	I	93.4	Very high	91.4	Very high	50 Å²	50	70.2 Å²	70.2	26%	0.256	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	122.2	178	-58.7	174.2	0	0	0	106.5	Q466 R480 R485	Q466-I483 HydrophobicContact CB-CG2 4.26Å; R480-I483 WeakPolarHBondContact O-CD1 3.34Å; I483-R485 HydrophobicContact CG2-CG 4.05Å
484	F	95.4	Very high	91.5	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	121.5	-179.5	-55	-86.9	0	0	0	109.6	Q466 L467 V469 V505 W517 W519 T522	Q466-F484 WeakPolarHBondContact CA-O 3.47Å; L467-F484 HydrophobicContact CB-CB 3.94Å; L467-F484 HydrophobicContact CB-CD2 3.96Å; L467-F484 HydrophobicContact CB-CG 4.39Å; L467-F484 HydrophobicContact CD1-CB 4.1Å; L467-F484 HydrophobicContact CG-CB 4.12Å; L467-F484 PolarHBondContact N-O 3.02Å; L467-F484 PolarHBondContact O-N 3.18Å; V469-F484 HydrophobicContact CG2-CD2 4.31Å; V469-F484 HydrophobicContact CG2-CE2 3.74Å; F484-V505 HydrophobicContact CE1-CG2 4.09Å; F484-V505 HydrophobicContact CE2-CG2 4.11Å; F484-V505 HydrophobicContact CZ-CG2 3.75Å; F484-W517 HydrophobicContact CB-CD2 3.98Å; F484-W517 HydrophobicContact CB-CG 4.04Å; F484-W517 HydrophobicContact CB-CZ2 4.44Å; F484-W517 HydrophobicContact CD1-CB 3.39Å; F484-W517 AromaticContact CD1-CD1 3.74Å; F484-W517 HydrophobicContact CD1-CD2 4.19Å; F484-W517 AromaticContact CD1-CG 3.5Å; F484-W517 HydrophobicContact CD1-CG 3.5Å; F484-W517 VanDerWaalsContact CD1-CG 3.5Å; F484-W517 HydrophobicContact CE1-CB 3.76Å; F484-W517 HydrophobicContact CE1-CG 4.35Å; F484-W517 HydrophobicContact CG-CB 4.39Å; F484-W517 HydrophobicContact CG-CD2 4.43Å; F484-W517 HydrophobicContact CG-CG 4.17Å; F484-W519 AromaticContact CE2-CE3 3.94Å; F484-W519 HydrophobicContact CE2-CE3 3.94Å; F484-W519 AromaticContact CE2-CZ3 3.83Å; F484-W519 HydrophobicContact CE2-CZ3 3.83Å; F484-W519 HydrophobicContact CZ-CD2 4.37Å; F484-W519 AromaticContact CZ-CE3 3.47Å; F484-W519 HydrophobicContact CZ-CE3 3.47Å; F484-W519 VanDerWaalsContact CZ-CE3 3.47Å; F484-W519 AromaticContact CZ-CZ3 3.86Å; F484-W519 HydrophobicContact CZ-CZ3 3.86Å; F484-T522 HydrophobicContact CD1-CG2 4.41Å; F484-T522 HydrophobicContact CE1-CG2 3.94Å; F484-T522 HydrophobicContact CZ-CG2 4.16Å
485	R	93.2	Very high	91.7	Very high	152 Å²	152	63.4 Å²	63.4	57%	0.574	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.4	163.3	-178.2	-58.8	-171.3	174	162.4	-4.9	110.6	Q466 I483 W517	Q466-R485 VanDerWaalsContact CD-NE 3.35Å; Q466-R485 HydrophobicContact CG-CG 4.06Å; Q466-R485 VanDerWaalsContact OE1-NH2 3.08Å; I483-R485 HydrophobicContact CG2-CG 4.05Å; R485-W517 PolarHBondContact O-NE1 3.14Å
486	G	90.1	Very high	92	Very high	44 Å²	44	61.8 Å²	61.8	45%	0.454	30%	0.303	S	S	.	.	S	Bend	trans	112.2	-1.8	176.4	0	0	0	0	0	114.9	K527	G486-K527 PolarHBondContact O-NZ 2.71Å; G486-K527 VanDerWaalsContact O-NZ 3.09Å
487	H	92.2	Very high	92.3	Very high	6 Å²	6	63.4 Å²	63.4	3%	0.028	31%	0.312	C	S	.	.			trans	-106.2	149.1	176.5	84.6	-97	0	0	0	107.6	N465 L467 V489 D509 C515 W517	N465-H487 WeakPolarHBondContact CB-O 3.42Å; L467-H487 VanDerWaalsContact CD2-CE1 3.45Å; L467-H487 WeakPolarHBondContact CD2-CE1 3.14Å; H487-V489 WeakPolarHBondContact CD2-CG2 3.08Å; H487-V489 WeakPolarHBondContact NE2-CG2 3.3Å; H487-D509 VanDerWaalsContact C-OD1 3.23Å; H487-D509 WeakPolarHBondContact CA-OD1 3.37Å; H487-D509 WeakPolarHBondContact CB-OD1 3.45Å; H487-D509 IonicContact CD2-OD1 3.88Å; H487-D509 IonicContact CG-OD1 3.41Å; H487-C515 HydrophobicContact CB-CB 4.1Å; H487-W517 HydrophobicContact CB-CH2 3.51Å; H487-W517 HydrophobicContact CB-CZ2 3.63Å; H487-W517 AromaticContact CG-CH2 3.67Å; H487-W517 AromaticContact CG-CZ2 3.91Å; H487-W517 AromaticContact ND1-CH2 3.47Å; H487-W517 WeakPolarHBondContact ND1-CH2 3.33Å; H487-W517 AromaticContact ND1-CZ2 3.5Å; H487-W517 WeakPolarHBondContact ND1-CZ2 3.34Å
488	M	93.6	Very high	92.4	Very high	88 Å²	88	56.3 Å²	56.3	43%	0.433	28%	0.281	S	S	.	.			trans	-122.1	113.6	-178.5	-170.6	-179.7	-53.7	0	0	108.8	D509 G510	M488-D509 VanDerWaalsContact N-CG 3.32Å; M488-D509 PolarHBondContact N-OD1 3.35Å; M488-G510 PolarHBondContact O-N 2.77Å
489	V	89.5	Confident	92.6	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.268	C	S	.	.			trans	-89.2	-30.8	-172.1	171.7	0	0	0	0	112.5	Q461 L463 N465 H487 G491 Y492	Q461-V489 HydrophobicContact CG-CG2 4.13Å; L463-V489 HydrophobicContact CD2-CG1 3.89Å; N465-V489 WeakPolarHBondContact OD1-CB 3.33Å; N465-V489 PolarHBondContact OD1-N 2.78Å; H487-V489 WeakPolarHBondContact CD2-CG2 3.08Å; H487-V489 WeakPolarHBondContact NE2-CG2 3.3Å; V489-G491 PolarHBondContact O-N 3.44Å; V489-Y492 WeakPolarHBondContact CG1-O 3.33Å; V489-Y492 WeakPolarHBondContact O-CB 3.34Å; V489-Y492 WeakPolarHBondContact O-CD2 3.46Å; V489-Y492 PolarHBondContact O-N 2.77Å
490	S	84.5	Confident	92.7	Very high	65 Å²	65	50.6 Å²	50.6	46%	0.455	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	54	24.8	177.8	-56.1	0	0	0	0	115.1
491	G	89.7	Confident	92.8	Very high	51 Å²	51	42.8 Å²	42.8	53%	0.526	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	94.7	-2.7	-177.9	0	0	0	0	0	115.7	V489	V489-G491 PolarHBondContact O-N 3.44Å
492	Y	92.7	Very high	92.9	Very high	81 Å²	81	35.4 Å²	35.4	32%	0.318	20%	0.2	S	C	.	.			trans	-85.7	150.2	-176.7	-58.2	-61.6	0	0	0	113.6	Q461 V489 C494 V534 W553	Q461-Y492 PolarHBondContact NE2-O 2.87Å; Q461-Y492 PolarHBondContact OE1-O 2.84Å; V489-Y492 WeakPolarHBondContact CG1-O 3.33Å; V489-Y492 WeakPolarHBondContact O-CB 3.34Å; V489-Y492 WeakPolarHBondContact O-CD2 3.46Å; V489-Y492 PolarHBondContact O-N 2.77Å; Y492-C494 VanDerWaalsContact C-N 3.27Å; Y492-C494 PolarHBondContact O-N 3.04Å; Y492-V534 HydrophobicContact CD1-CG2 4.45Å; Y492-V534 HydrophobicContact CD2-CB 4.4Å; Y492-V534 HydrophobicContact CD2-CG1 3.8Å; Y492-V534 HydrophobicContact CD2-CG2 3.64Å; Y492-V534 HydrophobicContact CE1-CG2 4.25Å; Y492-V534 HydrophobicContact CE2-CG1 4.44Å; Y492-V534 HydrophobicContact CE2-CG2 3.39Å; Y492-V534 HydrophobicContact CG-CG1 3.91Å; Y492-V534 HydrophobicContact CG-CG2 4.18Å; Y492-W553 AromaticContact CD1-CH2 3.51Å; Y492-W553 HydrophobicContact CD1-CH2 3.51Å; Y492-W553 AromaticContact CD1-CZ2 3.95Å; Y492-W553 HydrophobicContact CD1-CZ2 3.95Å; Y492-W553 HydrophobicContact CD1-CZ3 4.02Å; Y492-W553 HydrophobicContact CE1-CE3 4.39Å; Y492-W553 AromaticContact CE1-CH2 3.37Å; Y492-W553 HydrophobicContact CE1-CH2 3.37Å; Y492-W553 HydrophobicContact CE1-CZ2 4.24Å; Y492-W553 AromaticContact CE1-CZ3 3.46Å; Y492-W553 HydrophobicContact CE1-CZ3 3.46Å; Y492-W553 VanDerWaalsContact CE1-CZ3 3.46Å
493	A	92	Very high	92.9	Very high	15 Å²	15	38.1 Å²	38.1	12%	0.124	21%	0.209	C	C	.	.			trans	-82.6	65.7	176.7	0	0	0	0	0	111.7	P447 T495 I536	P447-A493 HydrophobicContact CB-CB 3.7Å; P447-A493 HydrophobicContact CG-CB 4.24Å; A493-T495 PolarHBondContact O-N 2.95Å; A493-I536 VanDerWaalsContact C-CD1 3.45Å; A493-I536 HydrophobicContact CB-CD1 4.47Å; A493-I536 WeakPolarHBondContact O-CD1 3.23Å
494	C	94.5	Very high	93	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.203	C	C	.	.			trans	-74.9	119.3	-178.5	-52.1	0	0	0	0	109.1	A448 Q461 Y492 G508 I536	A448-C494 VanDerWaalsContact CB-O 3.31Å; A448-C494 WeakPolarHBondContact CB-O 3.37Å; Q461-C494 VanDerWaalsContact NE2-CB 3.29Å; Q461-C494 PolarHBondContact OE1-O 3.03Å; Y492-C494 VanDerWaalsContact C-N 3.27Å; Y492-C494 PolarHBondContact O-N 3.04Å; C494-G508 WeakPolarHBondContact CB-O 3.3Å; C494-I536 CarbonylContact C-O 3.55Å; C494-I536 VanDerWaalsContact CA-O 3.29Å; C494-I536 WeakPolarHBondContact CA-O 2.98Å
495	T	94.7	Very high	93.1	Very high	35 Å²	35	37.3 Å²	37.3	22%	0.215	20%	0.203	C	C	.	.			trans	-65.5	158.5	177.5	73	0	0	0	0	110.9	A493 I536 N537 C538	A493-T495 PolarHBondContact O-N 2.95Å; T495-I536 PolarHBondContact N-O 3.01Å; T495-N537 WeakPolarHBondContact CG2-OD1 3.4Å; T495-N537 VanDerWaalsContact OG1-CA 3.29Å; T495-N537 WeakPolarHBondContact OG1-CA 3.44Å; T495-C538 PolarHBondContact O-SG 3.14Å; T495-C538 PolarHBondContact OG1-N 3.27Å; T495-C538 PolarHBondContact OG1-O 2.88Å
496	V	95.4	Very high	93.3	Very high	7 Å²	7	30.1 Å²	30.1	4%	0.042	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	144.4	179.8	179.5	0	0	0	0	106.1	S450 I459 Q461 L467 V505 I506	S450-V496 WeakPolarHBondContact CB-O 3.44Å; S450-V496 PolarHBondContact OG-O 3.33Å; I459-V496 HydrophobicContact CB-CG1 4.27Å; I459-V496 HydrophobicContact CG2-CG1 3.68Å; Q461-V496 HydrophobicContact CB-CG2 3.87Å; Q461-V496 HydrophobicContact CG-CG2 4.45Å; L467-V496 HydrophobicContact CD1-CG1 4.02Å; L467-V496 HydrophobicContact CD1-CG2 4.28Å; L467-V496 HydrophobicContact CD2-CG2 3.6Å; V496-V505 HydrophobicContact CG1-CG1 3.78Å; V496-I506 WeakPolarHBondContact CA-O 3.25Å; V496-I506 WeakPolarHBondContact CG1-O 3.36Å
497	D	95.7	Very high	93.5	Very high	37 Å²	37	28 Å²	28	20%	0.198	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	168.4	171.6	-158.3	4.7	0	0	0	110.1	I506 A539 W540	D497-I506 HydrophobicContact CB-CD1 3.98Å; D497-I506 HydrophobicContact CB-CG1 3.78Å; D497-I506 PolarHBondContact N-O 2.83Å; D497-I506 VanDerWaalsContact N-O 3.1Å; D497-I506 WeakPolarHBondContact O-CG1 3.22Å; D497-I506 PolarHBondContact O-N 2.78Å; D497-A539 WeakPolarHBondContact OD2-CA 3.47Å; D497-W540 PolarHBondContact OD2-N 3.25Å
498	M	95	Very high	93.7	Very high	3 Å²	3	27.7 Å²	27.7	2%	0.015	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	152.5	174.2	-73.7	-147.6	-66.2	0	0	111.7	S452 I459 M502 Y504 V505 W519	S452-M498 VanDerWaalsContact CA-CE 3.47Å; I459-M498 HydrophobicContact CD1-CE 3.89Å; I459-M498 HydrophobicContact CD1-CG 3.39Å; I459-M498 HydrophobicContact CD1-SD 3.38Å; I459-M498 WeakPolarHBondContact CD1-SD 3.34Å; M498-M502 HydrophobicContact CE-CG 4.19Å; M498-M502 HydrophobicContact CE-SD 4.26Å; M498-Y504 WeakPolarHBondContact CA-O 3.23Å; M498-V505 HydrophobicContact CG-CG2 4Å; M498-V505 HydrophobicContact SD-CG2 3.86Å; M498-W519 HydrophobicContact SD-CD2 4.17Å; M498-W519 HydrophobicContact SD-CE3 3.66Å; M498-W519 HydrophobicContact SD-CH2 4.36Å; M498-W519 HydrophobicContact SD-CZ3 3.77Å
499	S	95.6	Very high	93.7	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.132	C	C	.	.			trans	-60	144.9	167.5	67.1	0	0	0	0	110.1	D501 M502 R503 Y504	S499-D501 WeakPolarHBondContact CB-OD1 3.08Å; S499-D501 PolarHBondContact O-N 2.89Å; S499-D501 VanDerWaalsContact O-N 3.09Å; S499-D501 PolarHBondContact OG-OD1 2.85Å; S499-M502 WeakPolarHBondContact O-CA 3.49Å; S499-M502 PolarHBondContact O-N 2.59Å; S499-M502 PolarHBondContact OG-N 3.47Å; S499-R503 PolarHBondContact OG-N 2.83Å; S499-Y504 PolarHBondContact N-O 3.47Å; S499-Y504 PolarHBondContact OG-N 2.85Å
500	P	93.6	Very high	93.9	Very high	12 Å²	12	24 Å²	24	8%	0.078	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-35.1	179.9	-31.8	35.5	0	0	0	114.2	P251 P252 P542	P251-P500 HydrophobicContact CB-CB 3.73Å; P252-P500 HydrophobicContact CG-CB 3.98Å; P252-P500 HydrophobicContact CG-CG 4.23Å; P500-P542 WeakPolarHBondContact CB-O 3.49Å; P500-P542 WeakPolarHBondContact CG-O 3.45Å
501	D	92.7	Very high	94.4	Very high	33 Å²	33	24.7 Å²	24.7	18%	0.176	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	1.2	178.6	74.9	-12.9	0	0	0	114.8	C255 S499 R503	C255-D501 WeakPolarHBondContact CB-OD1 3.44Å; C255-D501 WeakPolarHBondContact CB-OD2 3.42Å; C255-D501 PolarHBondContact N-OD2 3.42Å; C255-D501 PolarHBondContact SG-OD1 2.84Å; S499-D501 WeakPolarHBondContact CB-OD1 3.08Å; S499-D501 PolarHBondContact O-N 2.89Å; S499-D501 VanDerWaalsContact O-N 3.09Å; S499-D501 PolarHBondContact OG-OD1 2.85Å; D501-R503 VanDerWaalsContact C-N 3.29Å; D501-R503 PolarHBondContact O-N 2.87Å; D501-R503 WeakPolarHBondContact OD1-CB 3.44Å; D501-R503 PolarHBondContact OD1-N 3.16Å; D501-R503 WeakPolarHBondContact OD2-CD 3.46Å; D501-R503 VanDerWaalsContact OD2-CG 3.23Å; D501-R503 WeakPolarHBondContact OD2-CG 3.36Å; D501-R503 IonicContact OD2-CZ 3.48Å; D501-R503 IonicContact OD2-NE 2.67Å; D501-R503 PolarHBondContact OD2-NE 2.89Å
502	M	93.7	Very high	94.6	Very high	30 Å²	30	22.2 Å²	22.2	15%	0.148	11%	0.11	C	C	.	.	S	Bend	trans	61.5	25.6	-179	-51.1	-167.9	177.6	0	0	116.3	P453 N454 M498 S499 W519	P453-M502 HydrophobicContact CB-CE 3.75Å; P453-M502 HydrophobicContact CG-CE 4.11Å; N454-M502 HydrophobicContact CB-CE 3.28Å; N454-M502 HydrophobicContact CB-SD 4.21Å; N454-M502 VanDerWaalsContact ND2-CE 3.33Å; N454-M502 WeakPolarHBondContact ND2-CE 3.49Å; N454-M502 PolarHBondContact ND2-SD 2.86Å; N454-M502 WeakPolarHBondContact OD1-CE 3.29Å; M498-M502 HydrophobicContact CE-CG 4.19Å; M498-M502 HydrophobicContact CE-SD 4.26Å; S499-M502 WeakPolarHBondContact O-CA 3.49Å; S499-M502 PolarHBondContact O-N 2.59Å; S499-M502 PolarHBondContact OG-N 3.47Å; M502-W519 WeakPolarHBondContact O-CB 3.25Å
503	R	94.1	Very high	94.8	Very high	92 Å²	92	22.2 Å²	22.2	35%	0.347	11%	0.11	S	C	.	.	S	Bend	trans	-81.1	-34.4	172.7	-68.7	-175.4	-158.8	-149.3	3.3	112.6	E253 S499 D501 E518 W519	E253-R503 PolarHBondContact O-NH2 3.24Å; S499-R503 PolarHBondContact OG-N 2.83Å; D501-R503 VanDerWaalsContact C-N 3.29Å; D501-R503 PolarHBondContact O-N 2.87Å; D501-R503 WeakPolarHBondContact OD1-CB 3.44Å; D501-R503 PolarHBondContact OD1-N 3.16Å; D501-R503 WeakPolarHBondContact OD2-CD 3.46Å; D501-R503 VanDerWaalsContact OD2-CG 3.23Å; D501-R503 WeakPolarHBondContact OD2-CG 3.36Å; D501-R503 IonicContact OD2-CZ 3.48Å; D501-R503 IonicContact OD2-NE 2.67Å; D501-R503 PolarHBondContact OD2-NE 2.89Å; R503-E518 CarbonylContact O-C 3.57Å; R503-W519 WeakPolarHBondContact O-CB 3.37Å; R503-W519 PolarHBondContact O-N 3.08Å
504	Y	96.2	Very high	95	Very high	33 Å²	33	21.5 Å²	21.5	13%	0.129	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	143.2	-172.1	-53.4	-62.9	0	0	0	111.9	C255 L257 M498 S499 W517 L525 W540	C255-Y504 HydrophobicContact CB-CD2 4.28Å; C255-Y504 HydrophobicContact CB-CE2 4.38Å; L257-Y504 HydrophobicContact CD1-CE1 4.47Å; L257-Y504 HydrophobicContact CD2-CD1 3.88Å; L257-Y504 HydrophobicContact CD2-CE1 3.94Å; L257-Y504 HydrophobicContact CD2-CG 4.19Å; L257-Y504 HydrophobicContact CG-CD1 4.48Å; L257-Y504 HydrophobicContact CG-CE1 4.06Å; L257-Y504 HydrophobicContact CG-CE2 4.38Å; M498-Y504 WeakPolarHBondContact CA-O 3.23Å; S499-Y504 PolarHBondContact N-O 3.47Å; S499-Y504 PolarHBondContact OG-N 2.85Å; Y504-W517 VanDerWaalsContact CA-O 3.23Å; Y504-W517 WeakPolarHBondContact CA-O 3.09Å; Y504-L525 HydrophobicContact CD1-CD1 3.63Å; Y504-L525 HydrophobicContact CE1-CD1 3.42Å; Y504-L525 VanDerWaalsContact CE1-CD1 3.42Å; Y504-W540 AromaticContact CD2-CH2 3.75Å; Y504-W540 HydrophobicContact CD2-CH2 3.75Å; Y504-W540 HydrophobicContact CD2-CZ2 4.45Å; Y504-W540 HydrophobicContact CD2-CZ3 4.38Å; Y504-W540 HydrophobicContact CG-CH2 4.25Å; Y504-W540 HydrophobicContact CG-CZ3 4.48Å
505	V	96.8	Very high	95.1	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	137.2	167.5	-176.3	0	0	0	0	107.2	I459 L467 F484 V496 M498 L516 W517 W519	I459-V505 HydrophobicContact CD1-CG1 4.39Å; I459-V505 HydrophobicContact CD1-CG2 4.33Å; L467-V505 HydrophobicContact CD1-CG1 3.74Å; F484-V505 HydrophobicContact CE1-CG2 4.09Å; F484-V505 HydrophobicContact CE2-CG2 4.11Å; F484-V505 HydrophobicContact CZ-CG2 3.75Å; V496-V505 HydrophobicContact CG1-CG1 3.78Å; M498-V505 HydrophobicContact CG-CG2 4Å; M498-V505 HydrophobicContact SD-CG2 3.86Å; V505-L516 WeakPolarHBondContact O-CA 3.42Å; V505-W517 HydrophobicContact CB-CB 4.49Å; V505-W517 HydrophobicContact CB-CE3 4.41Å; V505-W517 HydrophobicContact CG1-CE3 4.44Å; V505-W517 PolarHBondContact N-O 3.26Å; V505-W517 PolarHBondContact O-N 2.94Å; V505-W519 HydrophobicContact CG2-CE3 3.49Å; V505-W519 VanDerWaalsContact CG2-CE3 3.49Å; V505-W519 HydrophobicContact CG2-CZ3 4.05Å
506	I	96.1	Very high	95.1	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	141.3	177.4	64.9	171	0	0	0	109.9	V496 D497 C515 L516 C538 W540 V548	V496-I506 WeakPolarHBondContact CA-O 3.25Å; V496-I506 WeakPolarHBondContact CG1-O 3.36Å; D497-I506 HydrophobicContact CB-CD1 3.98Å; D497-I506 HydrophobicContact CB-CG1 3.78Å; D497-I506 PolarHBondContact N-O 2.83Å; D497-I506 VanDerWaalsContact N-O 3.1Å; D497-I506 WeakPolarHBondContact O-CG1 3.22Å; D497-I506 PolarHBondContact O-N 2.78Å; I506-C515 WeakPolarHBondContact CA-O 3.45Å; I506-L516 HydrophobicContact CG2-CD2 3.7Å; I506-L516 HydrophobicContact CG2-CG 3.76Å; I506-C538 HydrophobicContact CD1-CB 3.84Å; I506-C538 HydrophobicContact CG1-CB 4.24Å; I506-W540 HydrophobicContact CD1-CB 4.27Å; I506-W540 HydrophobicContact CD1-CE3 4.13Å; I506-W540 HydrophobicContact CG1-CE3 4.49Å; I506-W540 HydrophobicContact CG2-CE3 3.56Å; I506-W540 HydrophobicContact CG2-CZ3 3.5Å; I506-V548 HydrophobicContact CD1-CG1 3.55Å; I506-V548 HydrophobicContact CD1-CG2 4.24Å
507	S	96.2	Very high	95.2	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	150.6	167.2	82.7	0	0	0	0	110.8	C515 W517	S507-C515 PolarHBondContact N-O 2.86Å; S507-C515 PolarHBondContact O-N 3.41Å; S507-W517 WeakPolarHBondContact OG-CH2 3.48Å; S507-W517 WeakPolarHBondContact OG-CZ3 3.48Å
508	G	95	Very high	95.2	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	164.6	168.3	0	0	0	0	0	113.1	C494 Y513 C535	C494-G508 WeakPolarHBondContact CB-O 3.3Å; G508-Y513 CarbonylContact C-O 3.58Å; G508-Y513 WeakPolarHBondContact CA-O 3.4Å; G508-C535 VanDerWaalsContact CA-O 3.31Å; G508-C535 WeakPolarHBondContact CA-O 3.44Å
509	D	94.8	Very high	95.3	Very high	0 Å²	0	22 Å²	22	0%	0	10%	0.101	C	C	.	.			trans	-117.6	156.8	174.9	-86.1	-16.8	0	0	0	112.5	H487 M488 D511 G512 Y513 C515 K527 C535	H487-D509 VanDerWaalsContact C-OD1 3.23Å; H487-D509 WeakPolarHBondContact CA-OD1 3.37Å; H487-D509 WeakPolarHBondContact CB-OD1 3.45Å; H487-D509 IonicContact CD2-OD1 3.88Å; H487-D509 IonicContact CG-OD1 3.41Å; M488-D509 VanDerWaalsContact N-CG 3.32Å; M488-D509 PolarHBondContact N-OD1 3.35Å; D509-D511 PolarHBondContact O-N 2.63Å; D509-G512 PolarHBondContact O-N 2.67Å; D509-Y513 WeakPolarHBondContact CB-O 3.34Å; D509-Y513 PolarHBondContact N-O 3.06Å; D509-C515 PolarHBondContact OD2-SG 2.83Å; D509-K527 VanDerWaalsContact OD2-CE 3.29Å; D509-K527 WeakPolarHBondContact OD2-CE 3.23Å; D509-K527 IonicContact OD2-NZ 3.43Å; D509-K527 PolarHBondContact OD2-NZ 2.85Å; D509-C535 PolarHBondContact O-N 3.4Å
510	G	93.9	Very high	95.1	Very high	10 Å²	10	29.9 Å²	29.9	10%	0.103	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-32.9	168.1	0	0	0	0	0	113.5	M488 G512 V534	M488-G510 PolarHBondContact O-N 2.77Å; G510-G512 VanDerWaalsContact C-N 3.27Å; G510-G512 PolarHBondContact O-N 2.95Å; G510-V534 WeakPolarHBondContact O-CA 3.2Å; G510-V534 VanDerWaalsContact O-CG2 3.3Å; G510-V534 WeakPolarHBondContact O-CG2 3.48Å
511	D	94.1	Very high	95.1	Very high	79 Å²	79	32.7 Å²	32.7	42%	0.422	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	7.3	178.1	-60.2	-31.7	0	0	0	113.2	D509 Y513	D509-D511 PolarHBondContact O-N 2.63Å; D511-Y513 HydrophobicContact CB-CD2 3.65Å; D511-Y513 HydrophobicContact CB-CE2 3.61Å
512	G	94	Very high	95.2	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.157	C	C	.	.	S	Bend	trans	84.3	9.6	177.9	0	0	0	0	0	115.5	D509 G510 A530 H531 G533	D509-G512 PolarHBondContact O-N 2.67Å; G510-G512 VanDerWaalsContact C-N 3.27Å; G510-G512 PolarHBondContact O-N 2.95Å; G512-A530 WeakPolarHBondContact O-CA 3.49Å; G512-A530 PolarHBondContact O-N 3.31Å; G512-H531 PolarHBondContact O-N 3.49Å; G512-G533 WeakPolarHBondContact CA-O 3.48Å
513	Y	96.4	Very high	95.2	Very high	81 Å²	81	40.4 Å²	40.4	32%	0.318	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	147.1	173.9	-62	-91.6	0	0	0	111.9	G508 D509 D511 K527 W528 K529	G508-Y513 CarbonylContact C-O 3.58Å; G508-Y513 WeakPolarHBondContact CA-O 3.4Å; D509-Y513 WeakPolarHBondContact CB-O 3.34Å; D509-Y513 PolarHBondContact N-O 3.06Å; D511-Y513 HydrophobicContact CB-CD2 3.65Å; D511-Y513 HydrophobicContact CB-CE2 3.61Å; Y513-K527 HydrophobicContact CD1-CD 4.44Å; Y513-K527 HydrophobicContact CD1-CG 3.86Å; Y513-K527 HydrophobicContact CG-CD 4.4Å; Y513-K527 VanDerWaalsContact CG-CE 3.4Å; Y513-K527 HydrophobicContact CG-CG 4.08Å; Y513-W528 CarbonylContact C-O 3.53Å; Y513-W528 WeakPolarHBondContact CA-O 3.14Å; Y513-W528 VanDerWaalsContact CD1-C 3.43Å; Y513-K529 HydrophobicContact CD1-CB 4.09Å; Y513-K529 HydrophobicContact CE1-CB 3.89Å; Y513-K529 HydrophobicContact CE1-CG 4.37Å
514	L	96.1	Very high	95.3	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	121.5	161.7	-176.4	68.4	0	0	0	108.1	L516 K527 W528 A530 C538 V548 T550	L514-L516 HydrophobicContact CD2-CD1 3.99Å; L514-L516 HydrophobicContact CG-CD1 3.88Å; L514-K527 WeakPolarHBondContact O-CA 3.4Å; L514-W528 HydrophobicContact CD2-CH2 4.35Å; L514-W528 HydrophobicContact CD2-CZ2 3.64Å; L514-W528 PolarHBondContact N-O 3.26Å; L514-W528 PolarHBondContact O-N 3.32Å; L514-A530 HydrophobicContact CB-CB 3.78Å; L514-C538 HydrophobicContact CD1-CB 4.02Å; L514-V548 HydrophobicContact CD2-CG1 4.24Å; L514-T550 HydrophobicContact CD1-CG2 3.85Å; L514-T550 HydrophobicContact CD2-CG2 3.85Å; L514-T550 HydrophobicContact CG-CG2 4.33Å
515	C	96	Very high	95.2	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	132.1	177.7	-70.7	0	0	0	0	109.8	H487 I506 S507 D509 W517 L524	H487-C515 HydrophobicContact CB-CB 4.1Å; I506-C515 WeakPolarHBondContact CA-O 3.45Å; S507-C515 PolarHBondContact N-O 2.86Å; S507-C515 PolarHBondContact O-N 3.41Å; D509-C515 PolarHBondContact OD2-SG 2.83Å; C515-W517 HydrophobicContact CB-CE3 4.33Å; C515-W517 HydrophobicContact CB-CH2 3.22Å; C515-W517 HydrophobicContact CB-CZ2 3.71Å; C515-W517 HydrophobicContact CB-CZ3 3.57Å; C515-W517 WeakPolarHBondContact O-CZ3 3.12Å; C515-L524 HydrophobicContact CB-CD1 3.86Å
516	L	96.5	Very high	95.1	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	129.6	175.8	-61.9	89.6	0	0	0	110.5	L257 P258 V505 I506 L514 L525 T526 W528 W540	L257-L516 HydrophobicContact CD2-CB 4.05Å; L257-L516 HydrophobicContact CD2-CD2 3.7Å; L257-L516 HydrophobicContact CD2-CG 4.5Å; P258-L516 HydrophobicContact CG-CD2 4.17Å; V505-L516 WeakPolarHBondContact O-CA 3.42Å; I506-L516 HydrophobicContact CG2-CD2 3.7Å; I506-L516 HydrophobicContact CG2-CG 3.76Å; L514-L516 HydrophobicContact CD2-CD1 3.99Å; L514-L516 HydrophobicContact CG-CD1 3.88Å; L516-L525 PolarHBondContact O-N 3.25Å; L516-T526 PolarHBondContact N-O 3.39Å; L516-T526 PolarHBondContact O-N 2.81Å; L516-W528 HydrophobicContact CD1-CE3 4.13Å; L516-W528 HydrophobicContact CD1-CH2 3.24Å; L516-W528 HydrophobicContact CD1-CZ2 3.94Å; L516-W528 HydrophobicContact CD1-CZ3 3.38Å; L516-W528 HydrophobicContact CD2-CH2 4.23Å; L516-W528 HydrophobicContact CG-CH2 4.4Å; L516-W540 HydrophobicContact CD2-CZ3 4.18Å
517	W	97.1	Very high	95	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	152.1	177.1	-62.3	-97.4	0	0	0	111.6	L467 F484 R485 H487 Y504 V505 S507 C515 R523 L524	L467-W517 HydrophobicContact CD1-CE3 4.17Å; L467-W517 HydrophobicContact CD1-CH2 4.14Å; L467-W517 HydrophobicContact CD1-CZ3 3.78Å; F484-W517 HydrophobicContact CB-CD2 3.98Å; F484-W517 HydrophobicContact CB-CG 4.04Å; F484-W517 HydrophobicContact CB-CZ2 4.44Å; F484-W517 HydrophobicContact CD1-CB 3.39Å; F484-W517 AromaticContact CD1-CD1 3.74Å; F484-W517 HydrophobicContact CD1-CD2 4.19Å; F484-W517 AromaticContact CD1-CG 3.5Å; F484-W517 HydrophobicContact CD1-CG 3.5Å; F484-W517 VanDerWaalsContact CD1-CG 3.5Å; F484-W517 HydrophobicContact CE1-CB 3.76Å; F484-W517 HydrophobicContact CE1-CG 4.35Å; F484-W517 HydrophobicContact CG-CB 4.39Å; F484-W517 HydrophobicContact CG-CD2 4.43Å; F484-W517 HydrophobicContact CG-CG 4.17Å; R485-W517 PolarHBondContact O-NE1 3.14Å; H487-W517 HydrophobicContact CB-CH2 3.51Å; H487-W517 HydrophobicContact CB-CZ2 3.63Å; H487-W517 AromaticContact CG-CH2 3.67Å; H487-W517 AromaticContact CG-CZ2 3.91Å; H487-W517 AromaticContact ND1-CH2 3.47Å; H487-W517 WeakPolarHBondContact ND1-CH2 3.33Å; H487-W517 AromaticContact ND1-CZ2 3.5Å; H487-W517 WeakPolarHBondContact ND1-CZ2 3.34Å; Y504-W517 VanDerWaalsContact CA-O 3.23Å; Y504-W517 WeakPolarHBondContact CA-O 3.09Å; V505-W517 HydrophobicContact CB-CB 4.49Å; V505-W517 HydrophobicContact CB-CE3 4.41Å; V505-W517 HydrophobicContact CG1-CE3 4.44Å; V505-W517 PolarHBondContact N-O 3.26Å; V505-W517 PolarHBondContact O-N 2.94Å; S507-W517 WeakPolarHBondContact OG-CH2 3.48Å; S507-W517 WeakPolarHBondContact OG-CZ3 3.48Å; C515-W517 HydrophobicContact CB-CE3 4.33Å; C515-W517 HydrophobicContact CB-CH2 3.22Å; C515-W517 HydrophobicContact CB-CZ2 3.71Å; C515-W517 HydrophobicContact CB-CZ3 3.57Å; C515-W517 WeakPolarHBondContact O-CZ3 3.12Å; W517-R523 VanDerWaalsContact CA-O 3.29Å; W517-R523 WeakPolarHBondContact CA-O 3.42Å; W517-L524 VanDerWaalsContact CD1-CA 3.42Å; W517-L524 HydrophobicContact CD2-CD1 4.05Å; W517-L524 HydrophobicContact CG-CD1 4.3Å; W517-L524 HydrophobicContact CZ2-CD1 3.97Å
518	E	96.3	Very high	94.9	Very high	63 Å²	63	48.5 Å²	48.5	29%	0.294	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	124	163.9	-164.6	-176.4	178.9	0	0	109.9	R503 K520 T521 T522 R523 L525	R503-E518 CarbonylContact O-C 3.57Å; E518-K520 VanDerWaalsContact C-N 3.32Å; E518-K520 PolarHBondContact O-N 2.91Å; E518-T521 WeakPolarHBondContact CB-OG1 3.4Å; E518-T521 WeakPolarHBondContact OE2-CB 3.35Å; E518-T521 WeakPolarHBondContact OE2-CG2 3.46Å; E518-T521 PolarHBondContact OE2-OG1 3.39Å; E518-T522 VanDerWaalsContact O-CA 3.25Å; E518-T522 WeakPolarHBondContact O-CA 3.19Å; E518-T522 PolarHBondContact O-N 3.16Å; E518-R523 PolarHBondContact N-O 2.82Å; E518-L525 HydrophobicContact CB-CD1 3.86Å; E518-L525 HydrophobicContact CB-CD2 4.17Å; E518-L525 HydrophobicContact CB-CG 4.06Å
519	W	95.1	Very high	94.9	Very high	28 Å²	28	53.4 Å²	53.4	11%	0.106	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-44.1	179	177	-112.9	0	0	0	111.8	Y457 I459 V469 K482 F484 M498 M502 R503 V505	Y457-W519 HydrophobicContact CD1-CH2 4.46Å; Y457-W519 HydrophobicContact CD1-CZ2 4.14Å; Y457-W519 HydrophobicContact CD2-CH2 4.13Å; Y457-W519 AromaticContact CD2-CZ2 3.53Å; Y457-W519 HydrophobicContact CD2-CZ2 3.53Å; Y457-W519 HydrophobicContact CE1-CZ2 4.41Å; Y457-W519 AromaticContact CE2-CZ2 3.82Å; Y457-W519 HydrophobicContact CE2-CZ2 3.82Å; Y457-W519 AromaticContact CG-CH2 3.93Å; Y457-W519 HydrophobicContact CG-CH2 3.93Å; Y457-W519 AromaticContact CG-CZ2 3.7Å; Y457-W519 HydrophobicContact CG-CZ2 3.7Å; I459-W519 HydrophobicContact CD1-CH2 4.3Å; I459-W519 HydrophobicContact CD1-CZ3 3.7Å; I459-W519 HydrophobicContact CG1-CZ3 4.26Å; V469-W519 HydrophobicContact CB-CH2 4.41Å; V469-W519 HydrophobicContact CG1-CH2 3.62Å; V469-W519 HydrophobicContact CG1-CZ2 4.46Å; V469-W519 HydrophobicContact CG1-CZ3 4.39Å; V469-W519 HydrophobicContact CG2-CH2 3.9Å; V469-W519 HydrophobicContact CG2-CZ3 3.83Å; K482-W519 PolarHBondContact NZ-O 2.95Å; F484-W519 AromaticContact CE2-CE3 3.94Å; F484-W519 HydrophobicContact CE2-CE3 3.94Å; F484-W519 AromaticContact CE2-CZ3 3.83Å; F484-W519 HydrophobicContact CE2-CZ3 3.83Å; F484-W519 HydrophobicContact CZ-CD2 4.37Å; F484-W519 AromaticContact CZ-CE3 3.47Å; F484-W519 HydrophobicContact CZ-CE3 3.47Å; F484-W519 VanDerWaalsContact CZ-CE3 3.47Å; F484-W519 AromaticContact CZ-CZ3 3.86Å; F484-W519 HydrophobicContact CZ-CZ3 3.86Å; M498-W519 HydrophobicContact SD-CD2 4.17Å; M498-W519 HydrophobicContact SD-CE3 3.66Å; M498-W519 HydrophobicContact SD-CH2 4.36Å; M498-W519 HydrophobicContact SD-CZ3 3.77Å; M502-W519 WeakPolarHBondContact O-CB 3.25Å; R503-W519 WeakPolarHBondContact O-CB 3.37Å; R503-W519 PolarHBondContact O-N 3.08Å; V505-W519 HydrophobicContact CG2-CE3 3.49Å; V505-W519 VanDerWaalsContact CG2-CE3 3.49Å; V505-W519 HydrophobicContact CG2-CZ3 4.05Å
520	K	93.4	Very high	94.9	Very high	167 Å²	167	53.4 Å²	53.4	73%	0.726	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-50	-174.6	-171.5	176.5	179.6	-180	0	112.4	K482 E518	K482-K520 PolarHBondContact NZ-O 2.92Å; E518-K520 VanDerWaalsContact C-N 3.32Å; E518-K520 PolarHBondContact O-N 2.91Å
521	T	93.7	Very high	95	Very high	70 Å²	70	52.9 Å²	52.9	43%	0.429	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-12.1	-173.7	65.2	0	0	0	0	113.6	E518 R523	E518-T521 WeakPolarHBondContact CB-OG1 3.4Å; E518-T521 WeakPolarHBondContact OE2-CB 3.35Å; E518-T521 WeakPolarHBondContact OE2-CG2 3.46Å; E518-T521 PolarHBondContact OE2-OG1 3.39Å; T521-R523 PolarHBondContact O-N 3.12Å; T521-R523 VanDerWaalsContact O-N 3.16Å; T521-R523 WeakPolarHBondContact OG1-CB 3.49Å; T521-R523 PolarHBondContact OG1-N 3.08Å
522	T	93.9	Very high	94.9	Very high	43 Å²	43	54.6 Å²	54.6	26%	0.264	25%	0.254	S	S	.	.			trans	61.3	10.8	-173.2	65.1	0	0	0	0	114.8	K482 F484 E518	K482-T522 HydrophobicContact CD-CG2 3.66Å; F484-T522 HydrophobicContact CD1-CG2 4.41Å; F484-T522 HydrophobicContact CE1-CG2 3.94Å; F484-T522 HydrophobicContact CZ-CG2 4.16Å; E518-T522 VanDerWaalsContact O-CA 3.25Å; E518-T522 WeakPolarHBondContact O-CA 3.19Å; E518-T522 PolarHBondContact O-N 3.16Å
523	R	94.4	Very high	94.8	Very high	182 Å²	182	55.8 Å²	55.8	69%	0.687	27%	0.265	S	S	*	.			trans	-76.3	135.2	179.1	-177.9	176.8	172.2	171.8	-0.3	110	W517 E518 T521 L525	W517-R523 VanDerWaalsContact CA-O 3.29Å; W517-R523 WeakPolarHBondContact CA-O 3.42Å; E518-R523 PolarHBondContact N-O 2.82Å; T521-R523 PolarHBondContact O-N 3.12Å; T521-R523 VanDerWaalsContact O-N 3.16Å; T521-R523 WeakPolarHBondContact OG1-CB 3.49Å; T521-R523 PolarHBondContact OG1-N 3.08Å; R523-L525 PolarHBondContact O-N 3.22Å
524	L	95.6	Very high	94.8	Very high	54 Å²	54	52.4 Å²	52.4	28%	0.283	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	115.7	166	-178	70.7	0	0	0	108	C515 W517 K527	C515-L524 HydrophobicContact CB-CD1 3.86Å; W517-L524 VanDerWaalsContact CD1-CA 3.42Å; W517-L524 HydrophobicContact CD2-CD1 4.05Å; W517-L524 HydrophobicContact CG-CD1 4.3Å; W517-L524 HydrophobicContact CZ2-CD1 3.97Å; L524-K527 HydrophobicContact CD2-CB 4.35Å
525	L	94.5	Very high	94.8	Very high	63 Å²	63	52.4 Å²	52.4	33%	0.33	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	-52	-177.7	-65.9	175.4	0	0	0	110.4	L257 Y504 L516 E518 R523	L257-L525 HydrophobicContact CD1-CD1 4.11Å; L257-L525 HydrophobicContact CD2-CD1 4.04Å; Y504-L525 HydrophobicContact CD1-CD1 3.63Å; Y504-L525 HydrophobicContact CE1-CD1 3.42Å; Y504-L525 VanDerWaalsContact CE1-CD1 3.42Å; L516-L525 PolarHBondContact O-N 3.25Å; E518-L525 HydrophobicContact CB-CD1 3.86Å; E518-L525 HydrophobicContact CB-CD2 4.17Å; E518-L525 HydrophobicContact CB-CG 4.06Å; R523-L525 PolarHBondContact O-N 3.22Å
526	T	93.8	Very high	94.7	Very high	46 Å²	46	52.6 Å²	52.6	28%	0.282	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	143.6	-172.6	50.7	0	0	0	0	110	L516 W528	L516-T526 PolarHBondContact N-O 3.39Å; L516-T526 PolarHBondContact O-N 2.81Å; T526-W528 HydrophobicContact CG2-CZ3 4.43Å; T526-W528 VanDerWaalsContact OG1-CZ3 3.3Å; T526-W528 WeakPolarHBondContact OG1-CZ3 3.43Å
527	K	94.3	Very high	94.7	Very high	80 Å²	80	53.1 Å²	53.1	35%	0.348	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	119.9	173.5	178.2	172	-175.2	154.1	0	107.2	G486 D509 Y513 L514 L524	G486-K527 PolarHBondContact O-NZ 2.71Å; G486-K527 VanDerWaalsContact O-NZ 3.09Å; D509-K527 VanDerWaalsContact OD2-CE 3.29Å; D509-K527 WeakPolarHBondContact OD2-CE 3.23Å; D509-K527 IonicContact OD2-NZ 3.43Å; D509-K527 PolarHBondContact OD2-NZ 2.85Å; Y513-K527 HydrophobicContact CD1-CD 4.44Å; Y513-K527 HydrophobicContact CD1-CG 3.86Å; Y513-K527 HydrophobicContact CG-CD 4.4Å; Y513-K527 VanDerWaalsContact CG-CE 3.4Å; Y513-K527 HydrophobicContact CG-CG 4.08Å; L514-K527 WeakPolarHBondContact O-CA 3.4Å; L524-K527 HydrophobicContact CD2-CB 4.35Å
528	W	94.7	Very high	94.6	Very high	53 Å²	53	53.4 Å²	53.4	20%	0.201	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	155.9	175	65.4	86.8	0	0	0	110.4	P258 Y513 L514 L516 T526 A530 W560	P258-W528 HydrophobicContact CB-CH2 4.41Å; P258-W528 HydrophobicContact CB-CZ2 4.49Å; P258-W528 HydrophobicContact CG-CH2 3.91Å; P258-W528 HydrophobicContact CG-CZ2 4.16Å; P258-W528 VanDerWaalsContact O-CH2 3.24Å; P258-W528 WeakPolarHBondContact O-CH2 3.24Å; Y513-W528 CarbonylContact C-O 3.53Å; Y513-W528 WeakPolarHBondContact CA-O 3.14Å; Y513-W528 VanDerWaalsContact CD1-C 3.43Å; L514-W528 HydrophobicContact CD2-CH2 4.35Å; L514-W528 HydrophobicContact CD2-CZ2 3.64Å; L514-W528 PolarHBondContact N-O 3.26Å; L514-W528 PolarHBondContact O-N 3.32Å; L516-W528 HydrophobicContact CD1-CE3 4.13Å; L516-W528 HydrophobicContact CD1-CH2 3.24Å; L516-W528 HydrophobicContact CD1-CZ2 3.94Å; L516-W528 HydrophobicContact CD1-CZ3 3.38Å; L516-W528 HydrophobicContact CD2-CH2 4.23Å; L516-W528 HydrophobicContact CG-CH2 4.4Å; T526-W528 HydrophobicContact CG2-CZ3 4.43Å; T526-W528 VanDerWaalsContact OG1-CZ3 3.3Å; T526-W528 WeakPolarHBondContact OG1-CZ3 3.43Å; W528-A530 PolarHBondContact O-N 3.05Å; W528-W560 AromaticContact CD1-CZ3 3.99Å; W528-W560 HydrophobicContact CZ2-CE3 4.47Å; W528-W560 AromaticContact NE1-CD2 3.97Å; W528-W560 AromaticContact NE1-CE3 3.64Å; W528-W560 AromaticContact NE1-CH2 3.8Å; W528-W560 AromaticContact NE1-CZ3 3.54Å
529	K	94.7	Very high	94.6	Very high	102 Å²	102	51 Å²	51	44%	0.443	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	108.6	-179.9	-161.4	-174	-171.1	-155.7	0	108.5	Y513 H531 D532	Y513-K529 HydrophobicContact CD1-CB 4.09Å; Y513-K529 HydrophobicContact CE1-CB 3.89Å; Y513-K529 HydrophobicContact CE1-CG 4.37Å; K529-H531 WeakPolarHBondContact CE-O 3.37Å; K529-H531 WeakPolarHBondContact CG-O 3.49Å; K529-D532 IonicContact NZ-OD1 3.92Å; K529-D532 PolarHBondContact NZ-OD1 3.3Å
530	A	94.3	Very high	94.6	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.246	C	C	.	.			trans	-94.1	-28.4	-177.3	0	0	0	0	0	112.3	G512 L514 W528 R558 W560	G512-A530 WeakPolarHBondContact O-CA 3.49Å; G512-A530 PolarHBondContact O-N 3.31Å; L514-A530 HydrophobicContact CB-CB 3.78Å; W528-A530 PolarHBondContact O-N 3.05Å; A530-R558 WeakPolarHBondContact O-CD 3.37Å; A530-R558 PolarHBondContact O-NH1 3.15Å; A530-W560 HydrophobicContact CB-CH2 4.42Å; A530-W560 HydrophobicContact CB-CZ2 3.7Å
531	H	95.5	Very high	94.6	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.212	C	C	.	.			trans	-140.5	159.4	179	-74.8	-84.9	0	0	0	110.5	G512 K529 G533 T550 G552 D554 N556	G512-H531 PolarHBondContact O-N 3.49Å; K529-H531 WeakPolarHBondContact CE-O 3.37Å; K529-H531 WeakPolarHBondContact CG-O 3.49Å; H531-G533 WeakPolarHBondContact CB-O 3.29Å; H531-T550 PolarHBondContact NE2-O 3.28Å; H531-T550 PolarHBondContact NE2-OG1 2.99Å; H531-G552 PolarHBondContact CE1-N 3.08Å; H531-D554 WeakPolarHBondContact CB-OD2 3.49Å; H531-D554 IonicContact CE1-OD1 3.88Å; H531-D554 IonicContact CG-OD1 3.92Å; H531-D554 IonicContact CG-OD2 3.93Å; H531-D554 IonicContact ND1-OD1 2.87Å; H531-D554 PolarHBondContact ND1-OD1 3.35Å; H531-D554 VanDerWaalsContact ND1-OD1 3.09Å; H531-D554 IonicContact ND1-OD2 2.74Å; H531-D554 PolarHBondContact ND1-OD2 3.28Å; H531-N556 PolarHBondContact CE1-O 2.86Å; H531-N556 VanDerWaalsContact CE1-O 3.25Å
532	D	93	Very high	94.6	Very high	115 Å²	115	41.1 Å²	41.1	62%	0.615	21%	0.206	S	C	*	.	S	Bend	trans	-82.7	-26.9	174.9	-74.6	-39.9	0	0	0	112.9	K529	K529-D532 IonicContact NZ-OD1 3.92Å; K529-D532 PolarHBondContact NZ-OD1 3.3Å
533	G	92.5	Very high	94.5	Very high	24 Å²	24	40.2 Å²	40.2	25%	0.247	20%	0.199	C	C	.	.	S	Bend	trans	-100.6	-172	166.5	0	0	0	0	0	112.5	G512 H531 C535	G512-G533 WeakPolarHBondContact CA-O 3.48Å; H531-G533 WeakPolarHBondContact CB-O 3.29Å; G533-C535 PolarHBondContact O-N 3.31Å
534	V	94.7	Very high	94.3	Very high	10 Å²	10	32.2 Å²	32.2	6%	0.061	17%	0.17	C	C	.	.			trans	-53.4	127	177.2	179.7	0	0	0	0	110.7	Y492 G510 I536 G552 W553	Y492-V534 HydrophobicContact CD1-CG2 4.45Å; Y492-V534 HydrophobicContact CD2-CB 4.4Å; Y492-V534 HydrophobicContact CD2-CG1 3.8Å; Y492-V534 HydrophobicContact CD2-CG2 3.64Å; Y492-V534 HydrophobicContact CE1-CG2 4.25Å; Y492-V534 HydrophobicContact CE2-CG1 4.44Å; Y492-V534 HydrophobicContact CE2-CG2 3.39Å; Y492-V534 HydrophobicContact CG-CG1 3.91Å; Y492-V534 HydrophobicContact CG-CG2 4.18Å; G510-V534 WeakPolarHBondContact O-CA 3.2Å; G510-V534 VanDerWaalsContact O-CG2 3.3Å; G510-V534 WeakPolarHBondContact O-CG2 3.48Å; V534-I536 HydrophobicContact CG1-CB 4.38Å; V534-I536 HydrophobicContact CG1-CD1 4.31Å; V534-I536 PolarHBondContact O-N 3.28Å; V534-G552 CarbonylContact O-C 3.57Å; V534-G552 WeakPolarHBondContact O-CA 3.21Å; V534-W553 HydrophobicContact CB-CB 4.36Å; V534-W553 HydrophobicContact CB-CD2 4.16Å; V534-W553 HydrophobicContact CB-CE3 4.45Å; V534-W553 HydrophobicContact CB-CG 4.12Å; V534-W553 HydrophobicContact CG2-CD2 4.3Å; V534-W553 HydrophobicContact CG2-CE3 4.09Å; V534-W553 PolarHBondContact O-N 2.97Å
535	C	95.8	Very high	94.2	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	93.7	171.8	-178.8	0	0	0	0	108	G508 D509 G533 A551	G508-C535 VanDerWaalsContact CA-O 3.31Å; G508-C535 WeakPolarHBondContact CA-O 3.44Å; D509-C535 PolarHBondContact O-N 3.4Å; G533-C535 PolarHBondContact O-N 3.31Å; C535-A551 CarbonylContact C-O 3.26Å
536	I	94.9	Very high	94.1	Very high	5 Å²	5	29.6 Å²	29.6	3%	0.026	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	-34.5	-168.4	-168.5	72.9	0	0	0	112.8	V273 A493 C494 T495 V534 A551	V273-I536 WeakPolarHBondContact O-CG2 3.47Å; A493-I536 VanDerWaalsContact C-CD1 3.45Å; A493-I536 HydrophobicContact CB-CD1 4.47Å; A493-I536 WeakPolarHBondContact O-CD1 3.23Å; C494-I536 CarbonylContact C-O 3.55Å; C494-I536 VanDerWaalsContact CA-O 3.29Å; C494-I536 WeakPolarHBondContact CA-O 2.98Å; T495-I536 PolarHBondContact N-O 3.01Å; V534-I536 HydrophobicContact CG1-CB 4.38Å; V534-I536 HydrophobicContact CG1-CD1 4.31Å; V534-I536 PolarHBondContact O-N 3.28Å; I536-A551 PolarHBondContact N-O 2.93Å
537	N	95.6	Very high	94.2	Very high	10 Å²	10	29 Å²	29	5%	0.053	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	139.6	177.9	-67.6	-77.6	0	0	0	111.1	A274 A275 I276 T495 T550 A551	A274-N537 PolarHBondContact O-ND2 2.88Å; A275-N537 WeakPolarHBondContact CA-ND2 3.29Å; A275-N537 PolarHBondContact N-ND2 3.37Å; I276-N537 HydrophobicContact CB-CB 4.21Å; I276-N537 HydrophobicContact CG1-CB 4.36Å; T495-N537 WeakPolarHBondContact CG2-OD1 3.4Å; T495-N537 VanDerWaalsContact OG1-CA 3.29Å; T495-N537 WeakPolarHBondContact OG1-CA 3.44Å; N537-T550 CarbonylContact O-C 3.52Å; N537-T550 VanDerWaalsContact O-CA 3.28Å; N537-T550 WeakPolarHBondContact O-CA 3.32Å; N537-A551 HydrophobicContact CB-CB 3.96Å; N537-A551 PolarHBondContact N-O 2.97Å; N537-A551 PolarHBondContact O-N 3.24Å
538	C	95.7	Very high	94.3	Very high	6 Å²	6	25.1 Å²	25.1	4%	0.041	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	140.3	164.6	61.3	0	0	0	0	109.7	T495 I506 L514 I549 T550	T495-C538 PolarHBondContact O-SG 3.14Å; T495-C538 PolarHBondContact OG1-N 3.27Å; T495-C538 PolarHBondContact OG1-O 2.88Å; I506-C538 HydrophobicContact CD1-CB 3.84Å; I506-C538 HydrophobicContact CG1-CB 4.24Å; L514-C538 HydrophobicContact CD1-CB 4.02Å; C538-I549 CarbonylContact C-O 3.54Å; C538-I549 VanDerWaalsContact CA-O 3.3Å; C538-I549 WeakPolarHBondContact CA-O 3.15Å; C538-T550 HydrophobicContact CB-CG2 4.42Å
539	A	95.7	Very high	94.4	Very high	12 Å²	12	22.7 Å²	22.7	10%	0.099	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	131.9	175.2	0	0	0	0	0	109.9	L278 D497 V548 I549	L278-A539 HydrophobicContact CD1-CB 4.11Å; L278-A539 HydrophobicContact CG-CB 4.23Å; D497-A539 WeakPolarHBondContact OD2-CA 3.47Å; A539-V548 WeakPolarHBondContact O-CA 3.39Å; A539-I549 PolarHBondContact N-O 2.86Å; A539-I549 PolarHBondContact O-N 2.88Å
540	W	95.9	Very high	94.5	Very high	6 Å²	6	17.8 Å²	17.8	2%	0.023	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	134.3	173	-157.5	-60.5	0	0	0	109.2	C255 F256 D497 Y504 I506 L516 E544 T545 V548	C255-W540 HydrophobicContact CB-CZ2 4.01Å; F256-W540 WeakPolarHBondContact O-CH2 3.41Å; F256-W540 VanDerWaalsContact O-CZ2 3.3Å; F256-W540 WeakPolarHBondContact O-CZ2 3.38Å; D497-W540 PolarHBondContact OD2-N 3.25Å; Y504-W540 AromaticContact CD2-CH2 3.75Å; Y504-W540 HydrophobicContact CD2-CH2 3.75Å; Y504-W540 HydrophobicContact CD2-CZ2 4.45Å; Y504-W540 HydrophobicContact CD2-CZ3 4.38Å; Y504-W540 HydrophobicContact CG-CH2 4.25Å; Y504-W540 HydrophobicContact CG-CZ3 4.48Å; I506-W540 HydrophobicContact CD1-CB 4.27Å; I506-W540 HydrophobicContact CD1-CE3 4.13Å; I506-W540 HydrophobicContact CG1-CE3 4.49Å; I506-W540 HydrophobicContact CG2-CE3 3.56Å; I506-W540 HydrophobicContact CG2-CZ3 3.5Å; L516-W540 HydrophobicContact CD2-CZ3 4.18Å; W540-E544 PolarHBondContact NE1-O 2.96Å; W540-T545 WeakPolarHBondContact CZ2-O 3.17Å; W540-V548 HydrophobicContact CB-CG2 4.47Å; W540-V548 HydrophobicContact CD2-CG2 3.57Å; W540-V548 HydrophobicContact CE3-CG2 3.54Å; W540-V548 HydrophobicContact CG-CG2 4.02Å; W540-V548 HydrophobicContact CH2-CG2 4.34Å; W540-V548 HydrophobicContact CZ2-CG2 4.38Å; W540-V548 HydrophobicContact CZ3-CG2 3.95Å
541	L	94.3	Very high	94.6	Very high	3 Å²	3	17.8 Å²	17.8	2%	0.016	11%	0.106	C	C	.	.			trans	-68.6	126.3	178.6	-81.9	159.5	0	0	0	111	L278 G283 L300 H543 E544 K547 I549 L559	L278-L541 HydrophobicContact CD1-CD2 4.07Å; L278-L541 HydrophobicContact CD2-CD2 4.15Å; G283-L541 WeakPolarHBondContact O-CD2 3.46Å; L300-L541 HydrophobicContact CD1-CD2 3.86Å; L541-H543 VanDerWaalsContact C-N 3.26Å; L541-H543 PolarHBondContact O-N 3.09Å; L541-E544 HydrophobicContact CB-CB 4.11Å; L541-E544 PolarHBondContact O-N 3.05Å; L541-K547 HydrophobicContact CB-CB 4.38Å; L541-K547 HydrophobicContact CD1-CB 3.44Å; L541-K547 VanDerWaalsContact CD1-CB 3.44Å; L541-K547 HydrophobicContact CD1-CD 4.42Å; L541-K547 HydrophobicContact CD1-CG 4.47Å; L541-K547 HydrophobicContact CG-CB 4.42Å; L541-K547 PolarHBondContact N-O 3.08Å; L541-I549 HydrophobicContact CD1-CD1 4.21Å; L541-I549 HydrophobicContact CD2-CD1 4.25Å; L541-I549 HydrophobicContact CG-CD1 4.15Å; L541-L559 HydrophobicContact CD1-CD1 4.13Å
542	P	92.3	Very high	94.5	Very high	49 Å²	49	17.8 Å²	17.8	32%	0.318	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-30.2	-169	22	-32.7	0	0	0	113.9	P252 P500	P252-P542 WeakPolarHBondContact CD-O 3.47Å; P500-P542 WeakPolarHBondContact CB-O 3.49Å; P500-P542 WeakPolarHBondContact CG-O 3.45Å
543	H	91.8	Very high	94.6	Very high	24 Å²	24	17 Å²	17	11%	0.111	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-15.8	-175.7	-61.5	-61	0	0	0	114	V244 L246 A248 K281 T282 L541	V244-H543 HydrophobicContact CG1-CB 3.7Å; L246-H543 HydrophobicContact CD2-CB 4.19Å; L246-H543 PolarHBondContact O-CE1 2.92Å; L246-H543 PolarHBondContact O-NE2 2.67Å; L246-H543 VanDerWaalsContact O-NE2 3.08Å; A248-H543 PolarHBondContact O-CE1 2.91Å; K281-H543 PolarHBondContact O-CE1 2.82Å; K281-H543 PolarHBondContact O-NE2 3.14Å; T282-H543 PolarHBondContact O-CD2 2.8Å; L541-H543 VanDerWaalsContact C-N 3.26Å; L541-H543 PolarHBondContact O-N 3.09Å
544	E	91.4	Very high	94.6	Very high	15 Å²	15	18 Å²	18	7%	0.07	9%	0.094	C	C	.	.			trans	-107.8	144.2	-172.2	-66.7	-164.7	140	0	0	111.9	V244 Y301 W540 L541 S546 K547	V244-E544 HydrophobicContact CG1-CG 4Å; V244-E544 HydrophobicContact CG2-CG 3.95Å; Y301-E544 WeakPolarHBondContact CE1-OE1 3.1Å; W540-E544 PolarHBondContact NE1-O 2.96Å; L541-E544 HydrophobicContact CB-CB 4.11Å; L541-E544 PolarHBondContact O-N 3.05Å; E544-S546 PolarHBondContact O-N 2.97Å; E544-K547 HydrophobicContact CB-CB 4.24Å; E544-K547 HydrophobicContact CB-CG 4.31Å; E544-K547 IonicContact OE1-NZ 2.82Å; E544-K547 PolarHBondContact OE1-NZ 2.91Å; E544-K547 VanDerWaalsContact OE2-CB 3.31Å; E544-K547 WeakPolarHBondContact OE2-CB 3.33Å; E544-K547 WeakPolarHBondContact OE2-CD 3.46Å; E544-K547 WeakPolarHBondContact OE2-CE 3.1Å; E544-K547 WeakPolarHBondContact OE2-CG 3.3Å; E544-K547 IonicContact OE2-NZ 3.69Å; E544-K547 PolarHBondContact OE2-NZ 3.16Å
545	T	93	Very high	94.5	Very high	48 Å²	48	17.6 Å²	17.6	29%	0.294	9%	0.091	S	C	.	.	S	Bend	trans	-74.5	-28.8	-169.6	52.8	0	0	0	0	113.7	P252 R254 C255 F256 W540	P252-T545 HydrophobicContact CB-CG2 3.73Å; P252-T545 HydrophobicContact CG-CG2 4.41Å; R254-T545 WeakPolarHBondContact O-CB 3.38Å; R254-T545 WeakPolarHBondContact O-CG2 3.46Å; C255-T545 CarbonylContact C-O 3.58Å; C255-T545 WeakPolarHBondContact CA-O 3.5Å; C255-T545 WeakPolarHBondContact CB-O 3.43Å; F256-T545 PolarHBondContact N-O 2.77Å; W540-T545 WeakPolarHBondContact CZ2-O 3.17Å
546	S	93.3	Very high	94.6	Very high	14 Å²	14	18.6 Å²	18.6	10%	0.098	10%	0.097	C	C	.	.	S	Bend	trans	-133.5	-12.6	-168.5	32.8	0	0	0	0	113.9	F256 P258 E544 V548 D561	F256-S546 WeakPolarHBondContact O-CA 3.44Å; P258-S546 WeakPolarHBondContact CB-O 3.49Å; E544-S546 PolarHBondContact O-N 2.97Å; S546-V548 PolarHBondContact O-N 2.62Å; S546-D561 VanDerWaalsContact CB-OD1 3.23Å; S546-D561 WeakPolarHBondContact CB-OD1 3.38Å; S546-D561 PolarHBondContact OG-OD1 3.3Å
547	K	94.4	Very high	94.6	Very high	32 Å²	32	18.4 Å²	18.4	14%	0.139	10%	0.095	C	C	.	.			trans	-80	124.7	-172.1	-59	-146.8	-160.2	116.7	0	112.9	I262 L541 E544 L559 W560 D561	I262-K547 HydrophobicContact CD1-CD 3.75Å; L541-K547 HydrophobicContact CB-CB 4.38Å; L541-K547 HydrophobicContact CD1-CB 3.44Å; L541-K547 VanDerWaalsContact CD1-CB 3.44Å; L541-K547 HydrophobicContact CD1-CD 4.42Å; L541-K547 HydrophobicContact CD1-CG 4.47Å; L541-K547 HydrophobicContact CG-CB 4.42Å; L541-K547 PolarHBondContact N-O 3.08Å; E544-K547 HydrophobicContact CB-CB 4.24Å; E544-K547 HydrophobicContact CB-CG 4.31Å; E544-K547 IonicContact OE1-NZ 2.82Å; E544-K547 PolarHBondContact OE1-NZ 2.91Å; E544-K547 VanDerWaalsContact OE2-CB 3.31Å; E544-K547 WeakPolarHBondContact OE2-CB 3.33Å; E544-K547 WeakPolarHBondContact OE2-CD 3.46Å; E544-K547 WeakPolarHBondContact OE2-CE 3.1Å; E544-K547 WeakPolarHBondContact OE2-CG 3.3Å; E544-K547 IonicContact OE2-NZ 3.69Å; E544-K547 PolarHBondContact OE2-NZ 3.16Å; K547-L559 HydrophobicContact CB-CD1 4.36Å; K547-L559 HydrophobicContact CD-CD1 4.43Å; K547-L559 HydrophobicContact CD-CD2 4.46Å; K547-W560 CarbonylContact C-O 3.53Å; K547-W560 WeakPolarHBondContact CA-O 3.46Å; K547-D561 HydrophobicContact CD-CB 4.32Å; K547-D561 HydrophobicContact CG-CB 3.95Å; K547-D561 WeakPolarHBondContact CG-OD1 3.08Å
548	V	96.2	Very high	94.7	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	137.9	180	175.2	0	0	0	0	109.4	P258 I506 L514 A539 W540 S546 T550 W560	P258-V548 HydrophobicContact CG-CB 4.18Å; P258-V548 HydrophobicContact CG-CG2 3.87Å; I506-V548 HydrophobicContact CD1-CG1 3.55Å; I506-V548 HydrophobicContact CD1-CG2 4.24Å; L514-V548 HydrophobicContact CD2-CG1 4.24Å; A539-V548 WeakPolarHBondContact O-CA 3.39Å; W540-V548 HydrophobicContact CB-CG2 4.47Å; W540-V548 HydrophobicContact CD2-CG2 3.57Å; W540-V548 HydrophobicContact CE3-CG2 3.54Å; W540-V548 HydrophobicContact CG-CG2 4.02Å; W540-V548 HydrophobicContact CH2-CG2 4.34Å; W540-V548 HydrophobicContact CZ2-CG2 4.38Å; W540-V548 HydrophobicContact CZ3-CG2 3.95Å; S546-V548 PolarHBondContact O-N 2.62Å; V548-T550 HydrophobicContact CG1-CG2 4.3Å; V548-W560 PolarHBondContact N-O 3.15Å; V548-W560 PolarHBondContact O-N 3.2Å
549	I	96.5	Very high	94.7	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.005	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	134.6	175.5	-66.3	152.8	0	0	0	108.6	I276 L278 M286 L300 C538 A539 L541 I557 R558 L559	I276-I549 HydrophobicContact CD1-CG2 4.06Å; L278-I549 HydrophobicContact CD2-CD1 3.67Å; M286-I549 HydrophobicContact SD-CD1 4.36Å; M286-I549 HydrophobicContact SD-CG2 3.65Å; L300-I549 HydrophobicContact CD1-CD1 3.78Å; L300-I549 HydrophobicContact CD2-CD1 3.53Å; L300-I549 HydrophobicContact CD2-CG1 4.33Å; L300-I549 HydrophobicContact CG-CD1 4.31Å; C538-I549 CarbonylContact C-O 3.54Å; C538-I549 VanDerWaalsContact CA-O 3.3Å; C538-I549 WeakPolarHBondContact CA-O 3.15Å; A539-I549 PolarHBondContact N-O 2.86Å; A539-I549 PolarHBondContact O-N 2.88Å; L541-I549 HydrophobicContact CD1-CD1 4.21Å; L541-I549 HydrophobicContact CD2-CD1 4.25Å; L541-I549 HydrophobicContact CG-CD1 4.15Å; I549-I557 HydrophobicContact CG2-CG2 3.69Å; I549-R558 WeakPolarHBondContact CA-O 3.42Å; I549-L559 HydrophobicContact CD1-CD1 4.28Å; I549-L559 HydrophobicContact CG1-CD1 3.5Å; I549-L559 VanDerWaalsContact CG1-CD1 3.5Å
550	T	97.2	Very high	94.7	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	147	173.9	63.4	0	0	0	0	111.3	L514 H531 N537 C538 V548 I557 R558 W560	L514-T550 HydrophobicContact CD1-CG2 3.85Å; L514-T550 HydrophobicContact CD2-CG2 3.85Å; L514-T550 HydrophobicContact CG-CG2 4.33Å; H531-T550 PolarHBondContact NE2-O 3.28Å; H531-T550 PolarHBondContact NE2-OG1 2.99Å; N537-T550 CarbonylContact O-C 3.52Å; N537-T550 VanDerWaalsContact O-CA 3.28Å; N537-T550 WeakPolarHBondContact O-CA 3.32Å; C538-T550 HydrophobicContact CB-CG2 4.42Å; V548-T550 HydrophobicContact CG1-CG2 4.3Å; T550-I557 CarbonylContact O-C 3.58Å; T550-I557 WeakPolarHBondContact O-CA 3.18Å; T550-I557 WeakPolarHBondContact O-CG2 3.35Å; T550-R558 PolarHBondContact N-O 3.23Å; T550-R558 PolarHBondContact O-N 2.95Å; T550-W560 PolarHBondContact OG1-NE1 3.21Å
551	A	96.4	Very high	94.5	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	139.8	172.6	0	0	0	0	0	110.7	V273 I276 C535 I536 N537	V273-A551 HydrophobicContact CB-CB 3.88Å; V273-A551 HydrophobicContact CG1-CB 3.83Å; I276-A551 HydrophobicContact CD1-CB 3.24Å; I276-A551 HydrophobicContact CG1-CB 3.69Å; C535-A551 CarbonylContact C-O 3.26Å; I536-A551 PolarHBondContact N-O 2.93Å; N537-A551 HydrophobicContact CB-CB 3.96Å; N537-A551 PolarHBondContact N-O 2.97Å; N537-A551 PolarHBondContact O-N 3.24Å
552	G	94.5	Very high	94.5	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	165	177	0	0	0	0	0	114	V273 H531 V534 D554 G555 N556	V273-G552 PolarHBondContact N-O 2.64Å; V273-G552 VanDerWaalsContact N-O 3.09Å; H531-G552 PolarHBondContact CE1-N 3.08Å; V534-G552 CarbonylContact O-C 3.57Å; V534-G552 WeakPolarHBondContact O-CA 3.21Å; G552-D554 VanDerWaalsContact CA-OD1 3.26Å; G552-D554 WeakPolarHBondContact CA-OD1 3.17Å; G552-D554 PolarHBondContact O-N 3.34Å; G552-G555 PolarHBondContact O-N 3.36Å; G552-N556 PolarHBondContact N-O 2.89Å
553	W	93.7	Very high	94.7	Very high	97 Å²	97	21.1 Å²	21.1	37%	0.367	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-5.6	166.1	-77	14.6	0	0	0	113.6	G272 M291 Y492 V534 G555	G272-W553 VanDerWaalsContact CA-O 3.24Å; G272-W553 WeakPolarHBondContact CA-O 3.39Å; M291-W553 HydrophobicContact CE-CD2 3.98Å; M291-W553 VanDerWaalsContact CE-CE2 3.47Å; M291-W553 HydrophobicContact CE-CG 4.31Å; M291-W553 HydrophobicContact CE-CH2 4.45Å; M291-W553 HydrophobicContact CE-CZ2 3.75Å; Y492-W553 AromaticContact CD1-CH2 3.51Å; Y492-W553 HydrophobicContact CD1-CH2 3.51Å; Y492-W553 AromaticContact CD1-CZ2 3.95Å; Y492-W553 HydrophobicContact CD1-CZ2 3.95Å; Y492-W553 HydrophobicContact CD1-CZ3 4.02Å; Y492-W553 HydrophobicContact CE1-CE3 4.39Å; Y492-W553 AromaticContact CE1-CH2 3.37Å; Y492-W553 HydrophobicContact CE1-CH2 3.37Å; Y492-W553 HydrophobicContact CE1-CZ2 4.24Å; Y492-W553 AromaticContact CE1-CZ3 3.46Å; Y492-W553 HydrophobicContact CE1-CZ3 3.46Å; Y492-W553 VanDerWaalsContact CE1-CZ3 3.46Å; V534-W553 HydrophobicContact CB-CB 4.36Å; V534-W553 HydrophobicContact CB-CD2 4.16Å; V534-W553 HydrophobicContact CB-CE3 4.45Å; V534-W553 HydrophobicContact CB-CG 4.12Å; V534-W553 HydrophobicContact CG2-CD2 4.3Å; V534-W553 HydrophobicContact CG2-CE3 4.09Å; V534-W553 PolarHBondContact O-N 2.97Å; W553-G555 PolarHBondContact O-N 3.24Å
554	D	93.3	Very high	94.8	Very high	47 Å²	47	20.9 Å²	20.9	25%	0.251	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-10.2	165.7	59.2	-0.7	0	0	0	113	H531 G552 N556	H531-D554 WeakPolarHBondContact CB-OD2 3.49Å; H531-D554 IonicContact CE1-OD1 3.88Å; H531-D554 IonicContact CG-OD1 3.92Å; H531-D554 IonicContact CG-OD2 3.93Å; H531-D554 IonicContact ND1-OD1 2.87Å; H531-D554 PolarHBondContact ND1-OD1 3.35Å; H531-D554 VanDerWaalsContact ND1-OD1 3.09Å; H531-D554 IonicContact ND1-OD2 2.74Å; H531-D554 PolarHBondContact ND1-OD2 3.28Å; G552-D554 VanDerWaalsContact CA-OD1 3.26Å; G552-D554 WeakPolarHBondContact CA-OD1 3.17Å; G552-D554 PolarHBondContact O-N 3.34Å; D554-N556 VanDerWaalsContact C-N 3.3Å; D554-N556 PolarHBondContact OD1-N 3.43Å
555	G	93.5	Very high	95	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.102	C	C	.	.	S	Bend	trans	85.3	4.7	-179.5	0	0	0	0	0	113.4	A268 H269 R271 G552 W553	A268-G555 WeakPolarHBondContact CB-O 3.33Å; A268-G555 PolarHBondContact N-O 3.14Å; A268-G555 VanDerWaalsContact N-O 3.1Å; H269-G555 PolarHBondContact N-O 3.24Å; H269-G555 VanDerWaalsContact N-O 3.13Å; R271-G555 WeakPolarHBondContact O-CA 3.33Å; G552-G555 PolarHBondContact O-N 3.36Å; W553-G555 PolarHBondContact O-N 3.24Å
556	N	96.3	Very high	95.2	Very high	22 Å²	22	19.6 Å²	19.6	12%	0.118	9%	0.09	C	C	.	.			trans	-97.8	152.1	180	-61.6	-29.9	0	0	0	110.8	S267 H531 G552 D554	S267-N556 PolarHBondContact N-OD1 3.17Å; H531-N556 PolarHBondContact CE1-O 2.86Å; H531-N556 VanDerWaalsContact CE1-O 3.25Å; G552-N556 PolarHBondContact N-O 2.89Å; D554-N556 VanDerWaalsContact C-N 3.3Å; D554-N556 PolarHBondContact OD1-N 3.43Å
557	I	96.7	Very high	95.3	Very high	0 Å²	0	20 Å²	20	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	133.4	168	-52.8	174.3	0	0	0	106.6	E264 W265 A268 V273 I276 M286 I549 T550	E264-I557 WeakPolarHBondContact CA-O 3.46Å; W265-I557 HydrophobicContact CB-CB 4.24Å; W265-I557 HydrophobicContact CD2-CB 4.4Å; W265-I557 HydrophobicContact CE3-CB 3.69Å; W265-I557 HydrophobicContact CE3-CG2 3.54Å; W265-I557 HydrophobicContact CZ3-CB 4.45Å; W265-I557 HydrophobicContact CZ3-CG2 3.8Å; W265-I557 PolarHBondContact N-O 3.08Å; W265-I557 PolarHBondContact O-N 3.19Å; A268-I557 HydrophobicContact CB-CD1 3.86Å; A268-I557 HydrophobicContact CB-CG1 3.86Å; V273-I557 HydrophobicContact CG2-CG1 4.07Å; I276-I557 HydrophobicContact CD1-CB 4.4Å; I276-I557 HydrophobicContact CD1-CD1 3.89Å; I276-I557 HydrophobicContact CD1-CG1 3.94Å; I276-I557 HydrophobicContact CD1-CG2 3.62Å; M286-I557 HydrophobicContact CE-CD1 4.28Å; M286-I557 HydrophobicContact CE-CG2 3.97Å; M286-I557 HydrophobicContact SD-CG2 3.97Å; I549-I557 HydrophobicContact CG2-CG2 3.69Å; T550-I557 CarbonylContact O-C 3.58Å; T550-I557 WeakPolarHBondContact O-CA 3.18Å; T550-I557 WeakPolarHBondContact O-CG2 3.35Å
558	R	96.3	Very high	95.3	Very high	30 Å²	30	19.1 Å²	19.1	11%	0.113	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	138.7	-178.2	-71.1	170.8	178.6	-178.7	0.1	110	H263 E264 A530 I549 T550 W560	H263-R558 WeakPolarHBondContact O-CA 3.09Å; E264-R558 HydrophobicContact CB-CG 4.21Å; E264-R558 HydrophobicContact CG-CG 3.88Å; E264-R558 IonicContact OE1-CZ 2.68Å; E264-R558 VanDerWaalsContact OE1-CZ 3.23Å; E264-R558 IonicContact OE1-NE 2.92Å; E264-R558 PolarHBondContact OE1-NE 3.42Å; E264-R558 IonicContact OE1-NH2 2.66Å; E264-R558 PolarHBondContact OE1-NH2 2.95Å; E264-R558 IonicContact OE2-NE 2.84Å; A530-R558 WeakPolarHBondContact O-CD 3.37Å; A530-R558 PolarHBondContact O-NH1 3.15Å; I549-R558 WeakPolarHBondContact CA-O 3.42Å; T550-R558 PolarHBondContact N-O 3.23Å; T550-R558 PolarHBondContact O-N 2.95Å; R558-W560 HydrophobicContact CB-CZ2 3.99Å
559	L	95.9	Very high	95.3	Very high	3 Å²	3	20.6 Å²	20.6	2%	0.016	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	126.8	174.7	179.6	68.6	0	0	0	108.8	Q261 I262 H263 W265 L541 K547 I549	Q261-L559 CarbonylContact C-O 3.58Å; Q261-L559 WeakPolarHBondContact CA-O 3.37Å; I262-L559 HydrophobicContact CB-CD2 4.49Å; I262-L559 HydrophobicContact CD1-CD2 4.17Å; I262-L559 HydrophobicContact CD1-CG 4.26Å; I262-L559 PolarHBondContact N-O 2.93Å; H263-L559 HydrophobicContact CB-CB 4.11Å; H263-L559 HydrophobicContact CB-CD2 4.43Å; H263-L559 PolarHBondContact N-O 2.89Å; H263-L559 PolarHBondContact O-N 2.71Å; W265-L559 HydrophobicContact CH2-CB 4.15Å; W265-L559 HydrophobicContact CZ3-CB 3.95Å; L541-L559 HydrophobicContact CD1-CD1 4.13Å; K547-L559 HydrophobicContact CB-CD1 4.36Å; K547-L559 HydrophobicContact CD-CD1 4.43Å; K547-L559 HydrophobicContact CD-CD2 4.46Å; I549-L559 HydrophobicContact CD1-CD1 4.28Å; I549-L559 HydrophobicContact CG1-CD1 3.5Å; I549-L559 VanDerWaalsContact CG1-CD1 3.5Å
560	W	95.8	Very high	95.2	Very high	17 Å²	17	22.3 Å²	22.3	6%	0.064	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	149.4	-177.3	-52.6	88.4	0	0	0	110.5	P258 R260 Q261 W528 A530 K547 V548 T550 R558	P258-W560 HydrophobicContact CB-CB 3.73Å; P258-W560 HydrophobicContact CG-CB 4.33Å; R260-W560 CarbonylContact O-C 3.55Å; R260-W560 VanDerWaalsContact O-CA 3.3Å; R260-W560 WeakPolarHBondContact O-CA 3.07Å; Q261-W560 HydrophobicContact CB-CD2 4.44Å; Q261-W560 HydrophobicContact CB-CE3 3.86Å; Q261-W560 HydrophobicContact CB-CH2 4.07Å; Q261-W560 HydrophobicContact CB-CZ3 3.66Å; Q261-W560 HydrophobicContact CG-CH2 4.49Å; Q261-W560 HydrophobicContact CG-CZ3 4.49Å; W528-W560 AromaticContact CD1-CZ3 3.99Å; W528-W560 HydrophobicContact CZ2-CE3 4.47Å; W528-W560 AromaticContact NE1-CD2 3.97Å; W528-W560 AromaticContact NE1-CE3 3.64Å; W528-W560 AromaticContact NE1-CH2 3.8Å; W528-W560 AromaticContact NE1-CZ3 3.54Å; A530-W560 HydrophobicContact CB-CH2 4.42Å; A530-W560 HydrophobicContact CB-CZ2 3.7Å; K547-W560 CarbonylContact C-O 3.53Å; K547-W560 WeakPolarHBondContact CA-O 3.46Å; V548-W560 PolarHBondContact N-O 3.15Å; V548-W560 PolarHBondContact O-N 3.2Å; T550-W560 PolarHBondContact OG1-NE1 3.21Å; R558-W560 HydrophobicContact CB-CZ2 3.99Å
561	D	92.4	Very high	95	Very high	51 Å²	51	24.3 Å²	24.3	27%	0.273	11%	0.109	S	C	.	.			trans	-154.5	0	176	-175.3	40.1	0	0	0	112.6	P258 K259 R260 I262 S546 K547	P258-D561 VanDerWaalsContact CA-C 3.46Å; P258-D561 WeakPolarHBondContact CA-OXT 3.38Å; K259-D561 PolarHBondContact N-O 3.24Å; R260-D561 WeakPolarHBondContact CG-O 3.17Å; R260-D561 PolarHBondContact N-O 3.43Å; R260-D561 PolarHBondContact O-N 3.36Å; I262-D561 HydrophobicContact CD1-CB 3.14Å; I262-D561 HydrophobicContact CG1-CB 3.58Å; S546-D561 VanDerWaalsContact CB-OD1 3.23Å; S546-D561 WeakPolarHBondContact CB-OD1 3.38Å; S546-D561 PolarHBondContact OG-OD1 3.3Å; K547-D561 HydrophobicContact CD-CB 4.32Å; K547-D561 HydrophobicContact CG-CB 3.95Å; K547-D561 WeakPolarHBondContact CG-OD1 3.08Å

Retrieved 561 of 561 residues in 158.6 ms (Link to these results)

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