A0A077Z950_TRITR Loading...

Pre-mRNA-processing factor 17

AlphaFold DB , UniProt , Accession A0A077Z950, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 590 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.3	Very low	31.3	Very low	236 Å²	236	157.4 Å²	157.4	100%	1.163	85%	0.852	S	S	*	*				0	82.5	0	-68	-145.7	-87.5	0	0	107.6
2	S	28.5	Very low	31.5	Very low	116 Å²	116	160.5 Å²	160.5	81%	0.811	86%	0.856	S	S	*	*				80.3	92.9	78.4	62.4	0	0	0	0	114.1
3	A	36.5	Very low	31.4	Very low	98 Å²	98	154.3 Å²	154.3	81%	0.81	85%	0.854	S	S	*	*			trans	169	101.3	149.5	0	0	0	0	0	106.5
4	L	29.7	Very low	31.5	Very low	156 Å²	156	150.8 Å²	150.8	82%	0.817	86%	0.855	S	S	*	*				52.3	95.8	56.3	-107.5	164.1	0	0	0	112.5
5	F	31.4	Very low	31.5	Very low	194 Å²	194	148.9 Å²	148.9	85%	0.851	85%	0.848	S	S	*	*				-179.3	117	114.8	-113.1	-92	0	0	0	110.9
6	A	34.6	Very low	31.6	Very low	97 Å²	97	145.9 Å²	145.9	80%	0.802	84%	0.839	S	S	*	*			trans	-93.4	151.4	169.3	0	0	0	0	0	110.5
7	L	28.8	Very low	31.6	Very low	160 Å²	160	146.5 Å²	146.5	84%	0.838	84%	0.839	S	S	*	*			trans	-74.4	165.5	-169.8	-89.1	146.7	0	0	0	116.2
8	R	27.6	Very low	31.7	Very low	240 Å²	240	144 Å²	144	91%	0.906	83%	0.832	S	S	*	*			trans	84.8	140.4	154.5	-77.5	167.4	175.8	-173.4	-1	116.2
9	S	30.8	Very low	31.7	Very low	100 Å²	100	142 Å²	142	70%	0.699	83%	0.827	S	S	*	*			cis	-152.7	140.4	21.9	62.7	0	0	0	0	111
10	S	32.2	Very low	31.9	Very low	120 Å²	120	140.7 Å²	140.7	84%	0.839	83%	0.826	S	S	*	*			trans	-116.3	121.9	159.2	47.4	0	0	0	0	108.5
11	Y	30.7	Very low	32.1	Very low	214 Å²	214	138.4 Å²	138.4	84%	0.839	82%	0.817	S	S	*	*			trans	-62.3	120.9	169.8	-90.5	-105.2	0	0	0	110.1
12	H	34.8	Very low	32.3	Very low	195 Å²	195	133.5 Å²	133.5	90%	0.903	80%	0.796	S	S	*	*			trans	-152.6	116.8	149.1	-89.9	57.7	0	0	0	103
13	G	29.7	Very low	33	Very low	80 Å²	80	134.6 Å²	134.6	83%	0.825	79%	0.793	S	S	*	*				95.7	77.3	60	0	0	0	0	0	108.9
14	A	32.8	Very low	33	Very low	105 Å²	105	138 Å²	138	87%	0.868	79%	0.792	S	S	*	*			trans	-166.6	115.4	160.1	0	0	0	0	0	111.5
15	T	30.8	Very low	33.4	Very low	122 Å²	122	138.5 Å²	138.5	75%	0.748	79%	0.79	S	S	*	*			trans	-80.2	137.2	169	49.1	0	0	0	0	111.3
16	S	33.8	Very low	33.7	Very low	101 Å²	101	134.9 Å²	134.9	71%	0.706	78%	0.784	S	S	*	*				174.6	122.9	123.5	51.2	0	0	0	0	113.3
17	N	31	Very low	33.7	Very low	156 Å²	156	137.3 Å²	137.3	83%	0.834	78%	0.778	S	S	*	*			trans	-72.7	152.6	160.8	-71.7	-17.5	0	0	0	112.3
18	S	34.5	Very low	34.1	Very low	102 Å²	102	138.2 Å²	138.2	71%	0.713	78%	0.776	S	S	*	*				166.9	114.1	126.4	52.1	0	0	0	0	107.8
19	S	31.9	Very low	34.3	Very low	106 Å²	106	130.6 Å²	130.6	74%	0.741	77%	0.772	S	S	*	*				58	115.5	62	76.1	0	0	0	0	116.7
20	S	35.7	Very low	34.5	Very low	115 Å²	115	135.1 Å²	135.1	80%	0.804	78%	0.782	S	S	*	*			trans	74.8	144.5	142.4	73.6	0	0	0	0	118.3
21	S	36.3	Very low	34.4	Very low	93 Å²	93	137.6 Å²	137.6	65%	0.65	78%	0.78	S	S	*	*			cis	-166.5	-171.6	18.3	43.8	0	0	0	0	110.1
22	D	37.2	Very low	34.6	Very low	134 Å²	134	135.5 Å²	135.5	72%	0.717	78%	0.784	S	S	*	*			trans	112.4	123.4	159.7	-51	-6.6	0	0	0	110.9
23	D	41.6	Very low	34.3	Very low	139 Å²	139	131.2 Å²	131.2	74%	0.743	78%	0.775	S	S	*	*			cis	-160.2	157.1	20.3	-77.2	-47	0	0	0	112.3
24	E	38.4	Very low	34.6	Very low	170 Å²	170	135 Å²	135	79%	0.794	78%	0.776	S	S	*	*			trans	41.2	138.6	143.4	-61.8	-172.4	169.4	0	0	121.1
25	E	36.6	Very low	34.5	Very low	165 Å²	165	140.6 Å²	140.6	77%	0.771	78%	0.775	S	S	*	*			cis	-173.4	138.1	40.4	-127.1	176.6	-172.8	0	0	110.6
26	V	38	Very low	34.5	Very low	119 Å²	119	142.5 Å²	142.5	72%	0.721	78%	0.78	S	S	*	*			trans	64.6	113.3	132.2	176.5	0	0	0	0	124.2
27	E	35.5	Very low	34.3	Very low	147 Å²	147	140.6 Å²	140.6	69%	0.687	78%	0.775	S	S	*	*			trans	102	130.7	131.8	-95.7	-177.6	-159.2	0	0	126
28	K	35.3	Very low	34.3	Very low	180 Å²	180	139.7 Å²	139.7	78%	0.783	78%	0.776	S	S	*	*			trans	79.1	104.9	155	-69.4	165.7	176.8	136.6	0	116.7
29	G	32.9	Very low	33.9	Very low	80 Å²	80	140.9 Å²	140.9	83%	0.825	78%	0.784	S	S	*	*				99.2	124	80.4	0	0	0	0	0	106.4
30	E	35.6	Very low	34	Very low	194 Å²	194	145.1 Å²	145.1	91%	0.907	79%	0.789	S	S	*	*			cis	-170.3	170.1	47.2	-163.1	162.5	-163.1	0	0	108.5
31	Q	29.8	Very low	33.7	Very low	172 Å²	172	149.1 Å²	149.1	80%	0.804	80%	0.795	S	S	*	*			trans	-77	145.7	-162.2	-63	160.3	-14.1	0	0	113.2
32	D	33.5	Very low	33.5	Very low	170 Å²	170	152.6 Å²	152.6	91%	0.909	81%	0.806	S	S	*	*				-164.4	123.6	122.3	-100.7	-21.3	0	0	0	112.3
33	S	30.2	Very low	33.3	Very low	105 Å²	105	151.2 Å²	151.2	73%	0.734	81%	0.807	S	S	*	*			trans	-101.4	142.3	-179.5	59.3	0	0	0	0	110.6
34	L	35.8	Very low	32.6	Very low	161 Å²	161	152.9 Å²	152.9	84%	0.843	82%	0.815	S	S	*	*			trans	176.5	93.4	143.8	-93.1	160	0	0	0	107.5
35	R	29.9	Very low	32.4	Very low	222 Å²	222	149.8 Å²	149.8	84%	0.838	81%	0.812	S	S	*	*				75.5	125.9	93	-91.4	-167.3	-177.2	-174.4	3.5	116.4
36	L	30.4	Very low	32.1	Very low	162 Å²	162	150 Å²	150	85%	0.848	82%	0.817	S	S	*	*			trans	81.8	118.3	155.8	-85.7	90.1	0	0	0	119.6
37	G	29.6	Very low	31.8	Very low	60 Å²	60	150 Å²	150	62%	0.619	82%	0.82	S	S	*	*				133.4	90.4	110.8	0	0	0	0	0	117.5
38	T	32.1	Very low	31.8	Very low	138 Å²	138	148.5 Å²	148.5	85%	0.847	83%	0.826	S	S	*	*			trans	70	105.7	141.4	62.6	0	0	0	0	119.2
39	S	26.2	Very low	31.5	Very low	127 Å²	127	147.4 Å²	147.4	89%	0.888	83%	0.828	S	S	*	*			trans	-73.9	117.2	158.3	44.2	0	0	0	0	110.5
40	K	33.4	Very low	31.6	Very low	194 Å²	194	151 Å²	151	84%	0.843	83%	0.828	S	S	*	*			trans	-106.8	120.5	157.9	-87	-176.6	177.3	176.3	0	108.6	L42	K40-L42 PolarHBondContact O-N 3.25Å
41	Q	29.3	Very low	31.3	Very low	199 Å²	199	147.6 Å²	147.6	93%	0.93	82%	0.824	S	S	*	*			trans	-54.5	123.9	167.1	-69.6	170.8	-30.7	0	0	109.6
42	L	32.8	Very low	31.6	Very low	166 Å²	166	144 Å²	144	87%	0.869	82%	0.824	S	S	*	*			trans	-111.5	130.7	164.7	-87.1	164.3	0	0	0	109.1	K40	K40-L42 PolarHBondContact O-N 3.25Å
43	S	31.7	Very low	31.5	Very low	106 Å²	106	141.8 Å²	141.8	74%	0.741	82%	0.818	S	S	*	*			trans	-59.3	133.8	-173.1	46.3	0	0	0	0	114.2	S45	S43-S45 PolarHBondContact O-N 3.06Å
44	L	28.3	Very low	31.7	Very low	174 Å²	174	146.3 Å²	146.3	91%	0.911	83%	0.828	S	S	*	*			trans	-68.2	117.6	159.3	-87	142.4	0	0	0	110
45	S	34	Very low	31.4	Very low	105 Å²	105	144.8 Å²	144.8	73%	0.734	83%	0.825	S	S	*	*			trans	-124.6	110.4	159.1	58.1	0	0	0	0	108.7	S43	S43-S45 PolarHBondContact O-N 3.06Å
46	L	29	Very low	31.6	Very low	168 Å²	168	138.8 Å²	138.8	88%	0.88	82%	0.823	S	S	*	*			trans	-69.2	143.5	165.6	-80	143.6	0	0	0	109.8
47	P	33	Very low	31.5	Very low	120 Å²	120	136.8 Å²	136.8	78%	0.779	82%	0.817	S	S	*	*			trans	-122.4	145	138.4	30.2	-17	0	0	0	111.8
48	S	36	Very low	31.7	Very low	116 Å²	116	142.9 Å²	142.9	81%	0.811	83%	0.83	S	S	*	*			trans	-56.7	139.9	179.9	45.6	0	0	0	0	114.7
49	L	28.5	Very low	31.5	Very low	157 Å²	157	141.9 Å²	141.9	82%	0.822	82%	0.823	S	S	*	*			trans	-56.2	136	158.2	-80.3	86.8	0	0	0	110.8
50	N	34.1	Very low	31.7	Very low	156 Å²	156	143.7 Å²	143.7	83%	0.834	82%	0.822	S	S	*	*				-174.9	143.2	124.5	-91.4	-20.6	0	0	0	112.5
51	C	29.5	Very low	31.4	Very low	122 Å²	122	138.3 Å²	138.3	82%	0.824	81%	0.813	S	S	*	*			trans	87	89	162.4	-71.4	0	0	0	0	120.4
52	A	35.5	Very low	31.5	Very low	96 Å²	96	134.7 Å²	134.7	79%	0.793	81%	0.809	S	S	*	*				53.6	129	123.6	0	0	0	0	0	121.5
53	P	32.2	Very low	31.3	Very low	123 Å²	123	137.6 Å²	137.6	80%	0.799	81%	0.808	S	S	*	*			trans	-98.3	124.6	161	34.4	-23.3	0	0	0	111.2
54	E	34.4	Very low	31.3	Very low	200 Å²	200	138.4 Å²	138.4	94%	0.935	80%	0.804	S	S	*	*			trans	-86.6	121	159.4	-86.6	-173.7	154.8	0	0	109.2
55	V	30.4	Very low	31.6	Very low	130 Å²	130	139 Å²	139	79%	0.788	80%	0.799	S	S	*	*			trans	-88.9	107.9	168.5	174.9	0	0	0	0	107.3	V57	V55-V57 HydrophobicContact CG1-CG2 4.28Å
56	A	32.5	Very low	31.6	Very low	96 Å²	96	142.2 Å²	142.2	79%	0.793	80%	0.797	S	S	*	*			trans	-93.7	107.3	166.7	0	0	0	0	0	109.3
57	V	29.5	Very low	32	Very low	119 Å²	119	144.1 Å²	144.1	72%	0.721	80%	0.798	S	S	*	*			trans	-76.2	124	163.7	174.3	0	0	0	0	107.6	V55 V59	V55-V57 HydrophobicContact CG1-CG2 4.28Å; V57-V59 HydrophobicContact CG1-CG2 4.34Å
58	Q	33.2	Very low	31.9	Very low	189 Å²	189	147.7 Å²	147.7	88%	0.883	80%	0.796	S	S	*	*			trans	-127.1	115.3	164.3	-112.3	171.6	-12.4	0	0	110.3
59	V	28	Very low	31.9	Very low	116 Å²	116	149.5 Å²	149.5	70%	0.703	80%	0.796	S	S	*	*			trans	-79.9	132.4	171.8	173.5	0	0	0	0	108.9	V57	V57-V59 HydrophobicContact CG1-CG2 4.34Å
60	L	30.4	Very low	32.3	Very low	166 Å²	166	148 Å²	148	87%	0.869	79%	0.787	S	S	*	*			trans	-173.3	96.6	153.8	-108.1	135	0	0	0	107.6
61	A	27.9	Very low	32.1	Very low	80 Å²	80	149.2 Å²	149.2	66%	0.661	79%	0.785	S	S	*	*				60.3	104.4	76.6	0	0	0	0	0	114
62	C	31	Very low	32.3	Very low	124 Å²	124	153 Å²	153	84%	0.838	79%	0.789	S	S	*	*			trans	175.4	105	135.1	-98.9	0	0	0	0	108.9
63	R	28.4	Very low	32.2	Very low	226 Å²	226	153.5 Å²	153.5	85%	0.853	79%	0.786	S	S	*	*				73.4	126	79.7	-102	-172.8	-179.7	177.4	1.3	115.3
64	L	30.9	Very low	32.3	Very low	123 Å²	123	153.3 Å²	153.3	64%	0.644	78%	0.782	S	S	*	*			trans	90.4	113	147.9	-62.2	155.5	0	0	0	118.1
65	F	34.6	Very low	32.1	Very low	187 Å²	187	153.2 Å²	153.2	82%	0.82	78%	0.782	S	S	*	*				179.9	104.9	95.7	-105.8	-90.5	0	0	0	108.4
66	Y	35.2	Very low	32.2	Very low	173 Å²	173	154.6 Å²	154.6	68%	0.678	78%	0.779	S	S	*	*				56	112.6	100.1	-102.5	-90.1	0	0	0	115.6
67	F	37	Very low	32.1	Very low	208 Å²	208	159 Å²	159	91%	0.912	78%	0.783	S	S	*	*				-159.6	147.8	116.9	-117	-84.3	0	0	0	111.4
68	R	30.8	Very low	32.2	Very low	194 Å²	194	159.7 Å²	159.7	73%	0.732	78%	0.783	S	S	*	*			trans	-126.6	136.9	-156.8	179.6	-169.3	-168.2	-176.3	4.5	108.5
69	L	35.6	Very low	32.5	Very low	155 Å²	155	158.1 Å²	158.1	81%	0.812	78%	0.781	S	S	*	*			trans	-166.3	101.6	155.1	-103.2	128.7	0	0	0	107.5
70	I	36.6	Very low	33.5	Very low	124 Å²	124	158.9 Å²	158.9	64%	0.636	78%	0.777	S	S	*	*				95.6	108.4	80.7	-77.5	169.3	0	0	0	112.2
71	F	31.2	Very low	34.8	Very low	182 Å²	182	155.8 Å²	155.8	80%	0.798	77%	0.765	S	S	*	*			trans	48.7	123.5	142.5	-72.5	-97.4	0	0	0	121.3
72	F	33.2	Very low	36.3	Very low	203 Å²	203	157.3 Å²	157.3	89%	0.89	76%	0.757	S	S	*	*				-164.9	138.5	101.7	-114	-88.3	0	0	0	110.3
73	S	34.2	Very low	38	Very low	106 Å²	106	161.5 Å²	161.5	74%	0.741	76%	0.755	S	S	*	*			trans	-75.2	127.7	-178.1	50.8	0	0	0	0	112.4
74	V	33.8	Very low	40.3	Very low	119 Å²	119	153.5 Å²	153.5	72%	0.721	73%	0.726	S	S	*	*			trans	-136.6	125.2	158.3	177.1	0	0	0	0	107.2	H76	V74-H76 PolarHBondContact O-N 3.25Å
75	Q	29.3	Very low	42.7	Very low	198 Å²	198	152.2 Å²	152.2	93%	0.925	72%	0.72	S	S	*	*			trans	-66.2	113.4	169.3	-68.5	-154.9	-30	0	0	108.8
76	H	32.5	Very low	45.1	Very low	159 Å²	159	148 Å²	148	74%	0.736	71%	0.712	S	S	*	*			trans	-123.6	122.5	161.3	-105.7	-73.9	0	0	0	107.4	V74 N78	V74-H76 PolarHBondContact O-N 3.25Å; H76-N78 PolarHBondContact O-N 3.21Å
77	E	31.6	Very low	47.4	Very low	187 Å²	187	148.3 Å²	148.3	87%	0.874	72%	0.717	S	S	*	*			trans	-50.2	123.4	173.9	-70.3	174.9	144.6	0	0	110.2	N79	E77-N79 PolarHBondContact O-N 3.12Å
78	N	30.5	Very low	49.7	Very low	135 Å²	135	141 Å²	141	72%	0.722	69%	0.692	S	S	*	*			trans	-67.4	88.9	179.6	-68.3	-23.6	0	0	0	110	H76 E80	H76-N78 PolarHBondContact O-N 3.21Å; N78-E80 HydrophobicContact CB-CG 4.33Å; N78-E80 PolarHBondContact O-N 3.1Å
79	N	39.3	Very low	52.3	Low	155 Å²	155	139.8 Å²	139.8	83%	0.829	69%	0.692	S	S	*	*			trans	-73.7	74.8	156.1	-86.7	-17.6	0	0	0	108	E77 T81	E77-N79 PolarHBondContact O-N 3.12Å; N79-T81 PolarHBondContact O-N 3.07Å
80	E	48.9	Very low	54.8	Low	133 Å²	133	140.5 Å²	140.5	62%	0.621	69%	0.691	S	S	*	*			trans	-61.6	91.1	166	-78.7	-179.4	178.5	0	0	107.8	N78 F82	N78-E80 HydrophobicContact CB-CG 4.33Å; N78-E80 PolarHBondContact O-N 3.1Å; E80-F82 VanDerWaalsContact C-N 3.3Å; E80-F82 HydrophobicContact CB-CE2 4.31Å; E80-F82 VanDerWaalsContact O-CD2 3.27Å; E80-F82 WeakPolarHBondContact O-CD2 3.16Å; E80-F82 PolarHBondContact O-N 3.46Å
81	T	57.9	Low	57.1	Low	101 Å²	101	138 Å²	138	62%	0.62	68%	0.678	S	S	*	*			trans	-64.5	96.8	167.6	48.8	0	0	0	0	107.5	N79 R83	N79-T81 PolarHBondContact O-N 3.07Å; T81-R83 PolarHBondContact O-N 3.03Å; T81-R83 VanDerWaalsContact O-N 3.13Å
82	F	59	Low	59.7	Low	111 Å²	111	138.4 Å²	138.4	49%	0.487	69%	0.685	S	S	.	*			trans	-64.6	112.7	173.3	-72.4	-84.5	0	0	0	108.6	E80	E80-F82 VanDerWaalsContact C-N 3.3Å; E80-F82 HydrophobicContact CB-CE2 4.31Å; E80-F82 VanDerWaalsContact O-CD2 3.27Å; E80-F82 WeakPolarHBondContact O-CD2 3.16Å; E80-F82 PolarHBondContact O-N 3.46Å
83	R	67.8	Low	62.2	Low	212 Å²	212	133 Å²	133	80%	0.8	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-100.5	135.2	176.7	-63.9	-177.9	-175.2	178.2	-0.7	109.5	T81	T81-R83 PolarHBondContact O-N 3.03Å; T81-R83 VanDerWaalsContact O-N 3.13Å
84	F	76.9	Confident	64.8	Low	58 Å²	58	136.1 Å²	136.1	25%	0.254	67%	0.667	S	S	.	*	P	Polyproline II helix	trans	-90.1	153.1	175.1	-66	-78.1	0	0	0	111.4	P86 L91 R93 A95 E99	F84-P86 WeakPolarHBondContact O-CD 3.26Å; F84-L91 HydrophobicContact CB-CD2 4.45Å; F84-L91 HydrophobicContact CD1-CD2 3.32Å; F84-L91 HydrophobicContact CE1-CD2 3.5Å; F84-L91 HydrophobicContact CG-CD2 3.88Å; F84-L91 HydrophobicContact CZ-CD2 4.18Å; F84-R93 HydrophobicContact CE1-CG 4.11Å; F84-R93 HydrophobicContact CZ-CG 3.88Å; F84-R93 VanDerWaalsContact CZ-CZ 3.44Å; F84-A95 HydrophobicContact CD2-CB 4.32Å; F84-A95 HydrophobicContact CE2-CB 3.33Å; F84-A95 HydrophobicContact CZ-CB 3.63Å; F84-E99 HydrophobicContact CD2-CB 4.5Å; F84-E99 HydrophobicContact CE2-CB 4.17Å
85	D	81.9	Confident	67.3	Low	96 Å²	96	131.5 Å²	131.5	51%	0.513	64%	0.641	S	S	.	*	P	Polyproline II helix	trans	-72.8	121.3	170.4	-177.5	-6.2	0	0	0	109	K87 S88	D85-K87 PolarHBondContact O-N 3.12Å; D85-K87 PolarHBondContact OD1-N 3.22Å; D85-S88 WeakPolarHBondContact O-CB 3.15Å; D85-S88 PolarHBondContact O-N 3.12Å; D85-S88 PolarHBondContact O-OG 2.97Å
86	P	83	Confident	70.1	Confident	100 Å²	100	129 Å²	129	65%	0.649	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.6	-13.2	179.3	25.8	-36.8	0	0	0	114.2	F84 V104	F84-P86 WeakPolarHBondContact O-CD 3.26Å; P86-V104 HydrophobicContact CB-CG2 4.13Å
87	K	83.5	Confident	72.8	Confident	179 Å²	179	130 Å²	130	78%	0.778	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.2	-13.5	175.4	-65.8	-179.6	-178	173.5	0	113.8	D85	D85-K87 PolarHBondContact O-N 3.12Å; D85-K87 PolarHBondContact OD1-N 3.22Å
88	S	85.5	Confident	75.5	Confident	55 Å²	55	128.9 Å²	128.9	39%	0.385	62%	0.62	S	S	.	*			trans	-72.9	130.5	179.9	65.2	0	0	0	0	110.2	D85	D85-S88 WeakPolarHBondContact O-CB 3.15Å; D85-S88 PolarHBondContact O-N 3.12Å; D85-S88 PolarHBondContact O-OG 2.97Å
89	K	85.6	Confident	78.1	Confident	168 Å²	168	124.9 Å²	124.9	73%	0.73	60%	0.598	S	S	*	*			trans	-97.9	-18.7	-177.3	-67.5	-171.6	176.9	-174.4	0	113.8
90	E	88.4	Confident	80.2	Confident	170 Å²	170	121.7 Å²	121.7	79%	0.794	58%	0.579	S	S	*	*			trans	-124.3	128.4	-176	-67.4	176.8	-175.4	0	0	108.7
91	L	84.9	Confident	82.1	Confident	70 Å²	70	121.7 Å²	121.7	37%	0.366	58%	0.577	S	S	.	*			trans	-107.1	128.2	179.5	-65.4	174.1	0	0	0	109.5	F84 R93 M100	F84-L91 HydrophobicContact CB-CD2 4.45Å; F84-L91 HydrophobicContact CD1-CD2 3.32Å; F84-L91 HydrophobicContact CE1-CD2 3.5Å; F84-L91 HydrophobicContact CG-CD2 3.88Å; F84-L91 HydrophobicContact CZ-CD2 4.18Å; L91-R93 VanDerWaalsContact C-N 3.34Å; L91-M100 HydrophobicContact CD1-CE 3.79Å
92	M	86.3	Confident	83.5	Confident	191 Å²	191	119.8 Å²	119.8	94%	0.941	57%	0.571	S	S	*	*	S	Bend	trans	-85	-8.7	179.1	-60.9	-60.9	-72.3	0	0	113.4
93	R	86.3	Confident	84.9	Confident	91 Å²	91	119.5 Å²	119.5	34%	0.343	58%	0.581	S	S	.	*	S	Bend	trans	-134.7	149.8	178	72.2	179.9	-176.9	113.3	19.7	109.8	F84 L91 A95 E99	F84-R93 HydrophobicContact CE1-CG 4.11Å; F84-R93 HydrophobicContact CZ-CG 3.88Å; F84-R93 VanDerWaalsContact CZ-CZ 3.44Å; L91-R93 VanDerWaalsContact C-N 3.34Å; R93-A95 PolarHBondContact O-N 3.13Å; R93-E99 IonicContact CZ-OE2 3.25Å; R93-E99 IonicContact NH1-OE2 3.38Å; R93-E99 PolarHBondContact NH1-OE2 3.13Å; R93-E99 IonicContact NH2-OE2 3.03Å; R93-E99 PolarHBondContact NH2-OE2 3.21Å
94	N	88.5	Confident	85.9	Confident	170 Å²	170	115 Å²	115	91%	0.909	58%	0.576	S	S	*	*			trans	-74	111.8	173.4	-63.7	-16	0	0	0	109
95	A	84.8	Confident	86.4	Confident	22 Å²	22	120.2 Å²	120.2	18%	0.182	60%	0.602	C	S	.	*			trans	-82	151.9	179.6	0	0	0	0	0	111.8	F84 R93 M100	F84-A95 HydrophobicContact CD2-CB 4.32Å; F84-A95 HydrophobicContact CE2-CB 3.33Å; F84-A95 HydrophobicContact CZ-CB 3.63Å; R93-A95 PolarHBondContact O-N 3.13Å; A95-M100 HydrophobicContact CB-CB 4.15Å; A95-M100 HydrophobicContact CB-CE 3.9Å
96	K	89.3	Confident	86.6	Confident	147 Å²	147	118.6 Å²	118.6	64%	0.639	61%	0.607	S	S	*	*			trans	-71.6	153.6	164.7	-66.3	-179.4	179.5	177.5	0	110.1	E98 E99 M100	K96-E98 VanDerWaalsContact C-N 3.28Å; K96-E98 PolarHBondContact O-N 2.94Å; K96-E99 HydrophobicContact CB-CG 4.17Å; K96-E99 WeakPolarHBondContact O-CB 3.48Å; K96-E99 PolarHBondContact O-N 3.01Å; K96-M100 PolarHBondContact O-N 3.11Å
97	Y	88.4	Confident	87	Confident	178 Å²	178	120.1 Å²	120.1	70%	0.698	62%	0.617	S	S	*	*	H	α-helix	trans	-52.5	-46.7	178	176.1	-94.4	0	0	0	112.3	E99 M100 F101	Y97-E99 PolarHBondContact O-N 2.96Å; Y97-M100 PolarHBondContact O-N 3.02Å; Y97-F101 AromaticContact CD2-CD2 3.33Å; Y97-F101 HydrophobicContact CD2-CD2 3.33Å; Y97-F101 AromaticContact CD2-CE2 3.77Å; Y97-F101 HydrophobicContact CD2-CE2 3.77Å; Y97-F101 HydrophobicContact CD2-CG 4.31Å; Y97-F101 HydrophobicContact CE2-CB 4.27Å; Y97-F101 AromaticContact CE2-CD2 3.41Å; Y97-F101 HydrophobicContact CE2-CD2 3.41Å; Y97-F101 VanDerWaalsContact CE2-CD2 3.41Å; Y97-F101 AromaticContact CE2-CE2 3.93Å; Y97-F101 HydrophobicContact CE2-CE2 3.93Å; Y97-F101 AromaticContact CE2-CG 4Å; Y97-F101 HydrophobicContact CE2-CG 4Å; Y97-F101 HydrophobicContact CG-CD2 4.11Å; Y97-F101 PolarHBondContact O-N 2.75Å
98	E	87.9	Confident	87.1	Confident	164 Å²	164	116.4 Å²	116.4	77%	0.766	61%	0.614	S	S	*	*	H	α-helix	trans	-61.5	-30.3	179.1	-63	176.8	-177.6	0	0	113	K96	K96-E98 VanDerWaalsContact C-N 3.28Å; K96-E98 PolarHBondContact O-N 2.94Å
99	E	85.3	Confident	87.2	Confident	52 Å²	52	117.5 Å²	117.5	24%	0.243	62%	0.615	C	S	.	*	H	α-helix	trans	-81.3	-35.6	178.8	-64.2	174.7	-158.5	0	0	111.9	F84 R93 K96 Y97	F84-E99 HydrophobicContact CD2-CB 4.5Å; F84-E99 HydrophobicContact CE2-CB 4.17Å; R93-E99 IonicContact CZ-OE2 3.25Å; R93-E99 IonicContact NH1-OE2 3.38Å; R93-E99 PolarHBondContact NH1-OE2 3.13Å; R93-E99 IonicContact NH2-OE2 3.03Å; R93-E99 PolarHBondContact NH2-OE2 3.21Å; K96-E99 HydrophobicContact CB-CG 4.17Å; K96-E99 WeakPolarHBondContact O-CB 3.48Å; K96-E99 PolarHBondContact O-N 3.01Å; Y97-E99 PolarHBondContact O-N 2.96Å
100	M	84.8	Confident	87.5	Confident	87 Å²	87	114.2 Å²	114.2	43%	0.429	61%	0.611	S	S	.	*	H	α-helix	trans	-82.1	-42.3	-174.7	-170.9	-174	-63.5	0	0	112.9	L91 A95 K96 Y97	L91-M100 HydrophobicContact CD1-CE 3.79Å; A95-M100 HydrophobicContact CB-CB 4.15Å; A95-M100 HydrophobicContact CB-CE 3.9Å; K96-M100 PolarHBondContact O-N 3.11Å; Y97-M100 PolarHBondContact O-N 3.02Å
101	F	88.6	Confident	87.7	Confident	133 Å²	133	114.8 Å²	114.8	58%	0.583	61%	0.612	S	S	*	*	S	Bend	trans	-103.6	17.6	-173.2	-63.6	-76.3	0	0	0	113.4	Y97	Y97-F101 AromaticContact CD2-CD2 3.33Å; Y97-F101 HydrophobicContact CD2-CD2 3.33Å; Y97-F101 AromaticContact CD2-CE2 3.77Å; Y97-F101 HydrophobicContact CD2-CE2 3.77Å; Y97-F101 HydrophobicContact CD2-CG 4.31Å; Y97-F101 HydrophobicContact CE2-CB 4.27Å; Y97-F101 AromaticContact CE2-CD2 3.41Å; Y97-F101 HydrophobicContact CE2-CD2 3.41Å; Y97-F101 VanDerWaalsContact CE2-CD2 3.41Å; Y97-F101 AromaticContact CE2-CE2 3.93Å; Y97-F101 HydrophobicContact CE2-CE2 3.93Å; Y97-F101 AromaticContact CE2-CG 4Å; Y97-F101 HydrophobicContact CE2-CG 4Å; Y97-F101 HydrophobicContact CG-CD2 4.11Å; Y97-F101 PolarHBondContact O-N 2.75Å
102	A	87.4	Confident	88	Confident	61 Å²	61	116 Å²	116	50%	0.504	61%	0.614	S	S	.	*	P	Polyproline II helix	trans	-59.6	134.3	173.1	0	0	0	0	0	110.7
103	P	88.7	Confident	88.2	Confident	106 Å²	106	110.8 Å²	110.8	69%	0.688	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-66	142.2	-179.7	26.8	-34.2	0	0	0	111.5	Q105	P103-Q105 PolarHBondContact O-N 3.37Å
104	V	87.3	Confident	88.3	Confident	116 Å²	116	114.1 Å²	114.1	70%	0.703	61%	0.612	S	S	*	*	P	Polyproline II helix	trans	-66.5	120.2	175.1	-178.5	0	0	0	0	109.2	P86	P86-V104 HydrophobicContact CB-CG2 4.13Å
105	Q	87.1	Confident	88.4	Confident	169 Å²	169	111.1 Å²	111.1	79%	0.79	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-73.7	143	-178.4	-63.4	-67.9	-19.8	0	0	111.9	P103	P103-Q105 PolarHBondContact O-N 3.37Å
106	G	87	Confident	88.6	Confident	61 Å²	61	115 Å²	115	63%	0.629	61%	0.607	S	S	*	*	S	Bend	trans	105.9	171.3	175.9	0	0	0	0	0	114.7
107	P	90.7	Very high	88.6	Confident	133 Å²	133	113.6 Å²	113.6	86%	0.864	60%	0.601	S	S	*	*			trans	-72.1	145.3	-178.4	29.2	-34.1	0	0	0	112.1	N109	P107-N109 PolarHBondContact O-N 3.08Å
108	S	86.6	Confident	88.5	Confident	101 Å²	101	110.3 Å²	110.3	71%	0.706	59%	0.593	S	S	*	*			trans	-65.5	133	173	65	0	0	0	0	110.7	P110	S108-P110 VanDerWaalsContact O-CD 3.25Å; S108-P110 WeakPolarHBondContact O-CD 3.24Å; S108-P110 VanDerWaalsContact O-N 3.16Å
109	N	87.9	Confident	88.5	Confident	77 Å²	77	107.5 Å²	107.5	41%	0.412	59%	0.589	S	S	.	*			trans	-63	114.7	178.8	-177.2	-9.8	0	0	0	111.1	P107 F111 K112	P107-N109 PolarHBondContact O-N 3.08Å; N109-F111 VanDerWaalsContact C-N 3.28Å; N109-F111 PolarHBondContact O-N 3.44Å; N109-F111 WeakPolarHBondContact OD1-CB 3.47Å; N109-F111 VanDerWaalsContact OD1-CD2 3.23Å; N109-F111 WeakPolarHBondContact OD1-CD2 3.48Å; N109-F111 PolarHBondContact OD1-N 3.21Å; N109-K112 HydrophobicContact CB-CD 4.34Å; N109-K112 HydrophobicContact CB-CG 4.32Å
110	P	91.8	Very high	88.7	Confident	100 Å²	100	109.3 Å²	109.3	65%	0.649	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.2	-16.3	-177.8	32	-35.5	0	0	0	113	S108 K112	S108-P110 VanDerWaalsContact O-CD 3.25Å; S108-P110 WeakPolarHBondContact O-CD 3.24Å; S108-P110 VanDerWaalsContact O-N 3.16Å; P110-K112 PolarHBondContact O-N 3.11Å
111	F	92.9	Very high	89	Confident	182 Å²	182	108.8 Å²	108.8	80%	0.798	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.6	-3.8	-179.1	-55.5	-66	0	0	0	113.8	N109	N109-F111 VanDerWaalsContact C-N 3.28Å; N109-F111 PolarHBondContact O-N 3.44Å; N109-F111 WeakPolarHBondContact OD1-CB 3.47Å; N109-F111 VanDerWaalsContact OD1-CD2 3.23Å; N109-F111 WeakPolarHBondContact OD1-CD2 3.48Å; N109-F111 PolarHBondContact OD1-N 3.21Å
112	K	89.9	Confident	89.2	Confident	95 Å²	95	106.3 Å²	106.3	41%	0.413	59%	0.587	S	S	.	*	S	Bend	trans	-86.5	127.1	176.4	-70.6	-175.2	174.4	-172.1	0	110.3	N109 P110 Q116 K117	N109-K112 HydrophobicContact CB-CD 4.34Å; N109-K112 HydrophobicContact CB-CG 4.32Å; P110-K112 PolarHBondContact O-N 3.11Å; K112-Q116 HydrophobicContact CB-CB 3.86Å; K112-Q116 HydrophobicContact CG-CB 4.16Å; K112-K117 HydrophobicContact CB-CG 3.69Å; K112-K117 WeakPolarHBondContact O-CE 3.39Å
113	T	90.5	Very high	89.2	Confident	81 Å²	81	108 Å²	108	50%	0.497	59%	0.593	S	S	.	*			trans	-62	161.7	166.1	62.8	0	0	0	0	110.3	Q115 Q116 K117	T113-Q115 PolarHBondContact O-N 3.29Å; T113-Q116 CarbonylContact O-C 3.5Å; T113-Q116 WeakPolarHBondContact O-CA 3.18Å; T113-Q116 WeakPolarHBondContact O-CB 3.19Å; T113-Q116 PolarHBondContact O-N 2.89Å; T113-Q116 WeakPolarHBondContact OG1-CG 3.07Å; T113-Q116 PolarHBondContact OG1-N 3.24Å; T113-K117 PolarHBondContact O-N 3.4Å
114	E	89.1	Confident	89.3	Confident	162 Å²	162	108.5 Å²	108.5	76%	0.757	59%	0.593	S	S	*	*	H	α-helix	trans	-52.4	-44.6	177.4	-68.1	-178.8	164.8	0	0	111.9	Q116 K117 M118	E114-Q116 PolarHBondContact O-N 3.28Å; E114-K117 WeakPolarHBondContact O-CB 3.18Å; E114-K117 PolarHBondContact O-N 3.5Å; E114-M118 WeakPolarHBondContact O-CG 3.05Å; E114-M118 PolarHBondContact O-N 2.86Å
115	Q	89.8	Confident	89.5	Confident	106 Å²	106	103.7 Å²	103.7	50%	0.495	57%	0.567	S	S	.	*	H	α-helix	trans	-63.8	-21.9	175.1	-163.4	-169.5	5.7	0	0	114.4	T113 K120 P123	T113-Q115 PolarHBondContact O-N 3.29Å; Q115-K120 PolarHBondContact O-NZ 3.39Å; Q115-P123 PolarHBondContact NE2-O 2.93Å
116	Q	89.2	Confident	89.7	Confident	103 Å²	103	100.7 Å²	100.7	48%	0.481	55%	0.552	S	S	.	*	H	α-helix	trans	-89.8	-22.2	173.3	-72	177	-10.1	0	0	112.7	K112 T113 E114	K112-Q116 HydrophobicContact CB-CB 3.86Å; K112-Q116 HydrophobicContact CG-CB 4.16Å; T113-Q116 CarbonylContact O-C 3.5Å; T113-Q116 WeakPolarHBondContact O-CA 3.18Å; T113-Q116 WeakPolarHBondContact O-CB 3.19Å; T113-Q116 PolarHBondContact O-N 2.89Å; T113-Q116 WeakPolarHBondContact OG1-CG 3.07Å; T113-Q116 PolarHBondContact OG1-N 3.24Å; E114-Q116 PolarHBondContact O-N 3.28Å
117	K	89.3	Confident	90	Very high	119 Å²	119	102 Å²	102	52%	0.517	55%	0.548	S	S	.	.	H	α-helix	trans	-76.7	-34.4	172.5	-69.3	177.5	178.4	172	0	111.3	K112 T113 E114	K112-K117 HydrophobicContact CB-CG 3.69Å; K112-K117 WeakPolarHBondContact O-CE 3.39Å; T113-K117 PolarHBondContact O-N 3.4Å; E114-K117 WeakPolarHBondContact O-CB 3.18Å; E114-K117 PolarHBondContact O-N 3.5Å
118	M	87.7	Confident	90.1	Very high	108 Å²	108	100.9 Å²	100.9	53%	0.532	53%	0.53	S	S	.	.	S	Bend	trans	-63.1	134.5	178	-69.4	173.3	77.8	0	0	112.2	E114 K120	E114-M118 WeakPolarHBondContact O-CG 3.05Å; E114-M118 PolarHBondContact O-N 2.86Å; M118-K120 PolarHBondContact O-N 3.28Å
119	P	87.5	Confident	90.4	Very high	105 Å²	105	102.5 Å²	102.5	68%	0.682	54%	0.539	S	S	*	.			trans	-63.7	130	169.9	28.1	-32.8	0	0	0	109.1
120	K	89.7	Confident	90.6	Very high	91 Å²	91	102.5 Å²	102.5	40%	0.396	55%	0.549	S	S	.	.			trans	-145.9	140.3	-175.8	69.3	-175	174.6	-167.3	0	112	Q115 M118 M122 G125	Q115-K120 PolarHBondContact O-NZ 3.39Å; M118-K120 PolarHBondContact O-N 3.28Å; K120-M122 WeakPolarHBondContact CB-O 3.36Å; K120-G125 WeakPolarHBondContact CA-O 3.48Å; K120-G125 WeakPolarHBondContact CB-O 3.43Å
121	N	90.6	Very high	90.6	Very high	76 Å²	76	103.8 Å²	103.8	41%	0.406	56%	0.561	S	S	.	*	S	Bend	trans	-107.1	-17.1	170.8	69.3	-10.7	0	0	0	112	G125 F126 V127	N121-G125 PolarHBondContact N-O 3.15Å; N121-G125 VanDerWaalsContact N-O 3.13Å; N121-G125 PolarHBondContact OD1-O 3.22Å; N121-F126 HydrophobicContact CB-CD2 4.07Å; N121-F126 HydrophobicContact CB-CE2 4.2Å; N121-F126 WeakPolarHBondContact OD1-CA 3.4Å; N121-V127 PolarHBondContact ND2-N 2.95Å; N121-V127 PolarHBondContact ND2-O 3.15Å; N121-V127 PolarHBondContact OD1-N 3.5Å
122	M	91.7	Very high	90.5	Very high	81 Å²	81	99.7 Å²	99.7	40%	0.399	55%	0.546	S	S	.	.	B	Isolated β-bridge	trans	-128.5	164.4	169.8	64	170.5	-66.8	0	0	109.8	K120 V124 G125 V127	K120-M122 WeakPolarHBondContact CB-O 3.36Å; M122-V124 HydrophobicContact CE-CB 3.96Å; M122-V124 HydrophobicContact CE-CG2 3.93Å; M122-V124 PolarHBondContact O-N 3.44Å; M122-V124 VanDerWaalsContact O-N 3.08Å; M122-G125 VanDerWaalsContact CG-O 3.25Å; M122-G125 WeakPolarHBondContact CG-O 3.31Å; M122-G125 PolarHBondContact N-O 2.91Å; M122-G125 VanDerWaalsContact N-O 3.14Å; M122-G125 PolarHBondContact O-N 3.48Å; M122-V127 HydrophobicContact CG-CG2 4.09Å; M122-V127 HydrophobicContact SD-CB 4.23Å; M122-V127 HydrophobicContact SD-CG2 3.32Å; M122-V127 WeakPolarHBondContact SD-CG2 3.4Å
123	P	88.6	Confident	90.7	Very high	97 Å²	97	98.9 Å²	98.9	63%	0.63	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.8	-29.1	-173.9	-27.9	36	0	0	0	115.3	Q115	Q115-P123 PolarHBondContact NE2-O 2.93Å
124	V	90.1	Very high	90.9	Very high	116 Å²	116	102 Å²	102	70%	0.703	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.3	-29.1	-176	-174.1	0	0	0	0	112.5	M122	M122-V124 HydrophobicContact CE-CB 3.96Å; M122-V124 HydrophobicContact CE-CG2 3.93Å; M122-V124 PolarHBondContact O-N 3.44Å; M122-V124 VanDerWaalsContact O-N 3.08Å
125	G	91.2	Very high	91.2	Very high	15 Å²	15	100.9 Å²	100.9	16%	0.155	56%	0.559	C	S	.	*	B	Isolated β-bridge	trans	172.5	-159	-173.6	0	0	0	0	0	113.8	K120 N121 M122	K120-G125 WeakPolarHBondContact CA-O 3.48Å; K120-G125 WeakPolarHBondContact CB-O 3.43Å; N121-G125 PolarHBondContact N-O 3.15Å; N121-G125 VanDerWaalsContact N-O 3.13Å; N121-G125 PolarHBondContact OD1-O 3.22Å; M122-G125 VanDerWaalsContact CG-O 3.25Å; M122-G125 WeakPolarHBondContact CG-O 3.31Å; M122-G125 PolarHBondContact N-O 2.91Å; M122-G125 VanDerWaalsContact N-O 3.14Å; M122-G125 PolarHBondContact O-N 3.48Å
126	F	92.9	Very high	91.4	Very high	105 Å²	105	97 Å²	97	46%	0.461	55%	0.548	S	S	.	.			trans	-106.2	118.9	177.1	-163	-95.6	0	0	0	109.6	N121 E128	N121-F126 HydrophobicContact CB-CD2 4.07Å; N121-F126 HydrophobicContact CB-CE2 4.2Å; N121-F126 WeakPolarHBondContact OD1-CA 3.4Å; F126-E128 HydrophobicContact CD1-CB 4.38Å; F126-E128 HydrophobicContact CE1-CB 3.97Å; F126-E128 HydrophobicContact CE1-CG 4.39Å; F126-E128 WeakPolarHBondContact CE1-OE2 3.26Å
127	V	92.4	Very high	91.6	Very high	90 Å²	90	97.5 Å²	97.5	55%	0.545	55%	0.549	S	S	.	.			trans	-117	111.4	179.6	175.5	0	0	0	0	109.6	N121 M122	N121-V127 PolarHBondContact ND2-N 2.95Å; N121-V127 PolarHBondContact ND2-O 3.15Å; N121-V127 PolarHBondContact OD1-N 3.5Å; M122-V127 HydrophobicContact CG-CG2 4.09Å; M122-V127 HydrophobicContact SD-CB 4.23Å; M122-V127 HydrophobicContact SD-CG2 3.32Å; M122-V127 WeakPolarHBondContact SD-CG2 3.4Å
128	E	91.9	Very high	92	Very high	108 Å²	108	94.8 Å²	94.8	51%	0.505	54%	0.538	S	S	.	.			trans	-117.8	149.1	176.7	68.6	-163.6	144.4	0	0	111.5	F126 A130	F126-E128 HydrophobicContact CD1-CB 4.38Å; F126-E128 HydrophobicContact CE1-CB 3.97Å; F126-E128 HydrophobicContact CE1-CG 4.39Å; F126-E128 WeakPolarHBondContact CE1-OE2 3.26Å; E128-A130 PolarHBondContact O-N 3.14Å
129	P	93.4	Very high	92.3	Very high	136 Å²	136	90 Å²	90	88%	0.883	52%	0.515	S	S	*	.			trans	-70.3	110.6	174.5	28.2	-32.4	0	0	0	110
130	A	91.6	Very high	92.6	Very high	76 Å²	76	87 Å²	87	63%	0.628	49%	0.492	S	S	*	.			trans	-95.1	144.1	174.7	0	0	0	0	0	111.7	E128 I132	E128-A130 PolarHBondContact O-N 3.14Å; A130-I132 HydrophobicContact CB-CD1 4.24Å; A130-I132 HydrophobicContact CB-CG1 4.18Å
131	S	92.9	Very high	92.9	Very high	128 Å²	128	87.9 Å²	87.9	90%	0.895	49%	0.492	S	S	*	.			trans	-106.7	66	178.4	47.1	0	0	0	0	111.8
132	I	90.9	Very high	93.1	Very high	95 Å²	95	86.3 Å²	86.3	49%	0.487	48%	0.484	S	S	.	.			trans	-87.5	144.2	179.2	-54.3	170.1	0	0	0	109.9	A130 N134 F137	A130-I132 HydrophobicContact CB-CD1 4.24Å; A130-I132 HydrophobicContact CB-CG1 4.18Å; I132-N134 PolarHBondContact O-N 3.25Å; I132-F137 HydrophobicContact CG2-CB 4.09Å
133	S	94	Very high	93.2	Very high	79 Å²	79	82.5 Å²	82.5	55%	0.552	47%	0.465	S	S	*	.			trans	-62.5	131.8	172.8	76	0	0	0	0	111	F135 G136 F137	S133-F135 PolarHBondContact O-N 3.42Å; S133-G136 PolarHBondContact O-N 3.49Å; S133-G136 VanDerWaalsContact O-N 3.11Å; S133-G136 WeakPolarHBondContact OG-CA 3.27Å; S133-G136 PolarHBondContact OG-N 3.32Å; S133-G136 VanDerWaalsContact OG-N 3.08Å; S133-F137 PolarHBondContact O-N 3.44Å
134	N	95	Very high	93.5	Very high	147 Å²	147	82.5 Å²	82.5	79%	0.786	46%	0.455	S	S	*	.	H	α-helix	trans	-55.7	-40.6	179.9	-71.8	-13.8	0	0	0	112.2	I132 E138	I132-N134 PolarHBondContact O-N 3.25Å; N134-E138 WeakPolarHBondContact O-CB 2.97Å; N134-E138 PolarHBondContact O-N 2.76Å
135	F	95.6	Very high	93.7	Very high	137 Å²	137	83 Å²	83	60%	0.601	45%	0.45	S	S	*	.	H	α-helix	trans	-65.5	-45.2	177.7	179.3	-101.9	0	0	0	112	S133 E138 T139 Y178	S133-F135 PolarHBondContact O-N 3.42Å; F135-E138 PolarHBondContact O-N 3.09Å; F135-T139 WeakPolarHBondContact O-CB 3.49Å; F135-T139 PolarHBondContact O-N 3.03Å; F135-T139 PolarHBondContact O-OG1 3.45Å; F135-Y178 AromaticContact CE2-CD2 3.88Å; F135-Y178 HydrophobicContact CE2-CD2 3.88Å; F135-Y178 HydrophobicContact CE2-CE2 4.09Å; F135-Y178 HydrophobicContact CE2-CG 4.2Å; F135-Y178 HydrophobicContact CZ-CD2 4.08Å; F135-Y178 HydrophobicContact CZ-CG 4.35Å
136	G	93.1	Very high	93.7	Very high	26 Å²	26	85.3 Å²	85.3	27%	0.268	46%	0.463	S	S	.	.	H	α-helix	trans	-63.3	-43.5	178.2	0	0	0	0	0	112.3	S133 E140	S133-G136 PolarHBondContact O-N 3.49Å; S133-G136 VanDerWaalsContact O-N 3.11Å; S133-G136 WeakPolarHBondContact OG-CA 3.27Å; S133-G136 PolarHBondContact OG-N 3.32Å; S133-G136 VanDerWaalsContact OG-N 3.08Å; G136-E140 WeakPolarHBondContact O-CG 3.49Å; G136-E140 PolarHBondContact O-N 3.19Å
137	F	94.5	Very high	93.5	Very high	113 Å²	113	83.5 Å²	83.5	50%	0.496	45%	0.454	S	S	.	.	H	α-helix	trans	-61.5	-50.4	176.1	176.5	-96.5	0	0	0	112.1	I132 S133 T139 E140 R141	I132-F137 HydrophobicContact CG2-CB 4.09Å; S133-F137 PolarHBondContact O-N 3.44Å; F137-T139 VanDerWaalsContact C-N 3.33Å; F137-T139 PolarHBondContact O-N 2.69Å; F137-E140 PolarHBondContact O-N 2.9Å; F137-R141 VanDerWaalsContact O-CB 3.3Å; F137-R141 WeakPolarHBondContact O-CB 3.41Å; F137-R141 PolarHBondContact O-N 2.91Å
138	E	95.9	Very high	93.5	Very high	61 Å²	61	80.5 Å²	80.5	29%	0.285	44%	0.442	S	S	.	.	H	α-helix	trans	-69.8	-33	-176.6	-164.4	64.7	-169.9	0	0	111.8	N134 F135 R141 I142	N134-E138 WeakPolarHBondContact O-CB 2.97Å; N134-E138 PolarHBondContact O-N 2.76Å; F135-E138 PolarHBondContact O-N 3.09Å; E138-R141 PolarHBondContact O-N 3.04Å; E138-R141 IonicContact OE1-CZ 3.83Å; E138-R141 IonicContact OE1-NH1 3.17Å; E138-R141 PolarHBondContact OE1-NH1 2.88Å; E138-R141 IonicContact OE2-NH1 3.37Å; E138-R141 PolarHBondContact OE2-NH1 3.5Å; E138-I142 HydrophobicContact CG-CD1 3.72Å; E138-I142 HydrophobicContact CG-CG1 4.15Å; E138-I142 WeakPolarHBondContact O-CB 3.29Å; E138-I142 VanDerWaalsContact O-CG1 3.26Å; E138-I142 WeakPolarHBondContact O-CG1 3.4Å; E138-I142 PolarHBondContact O-N 2.98Å
139	T	95.3	Very high	93.6	Very high	8 Å²	8	75.5 Å²	75.5	5%	0.049	42%	0.418	C	S	.	.	H	α-helix	trans	-58	-54.2	173	-62	0	0	0	0	110.9	F135 F137 T143 T176 Y178	F135-T139 WeakPolarHBondContact O-CB 3.49Å; F135-T139 PolarHBondContact O-N 3.03Å; F135-T139 PolarHBondContact O-OG1 3.45Å; F137-T139 VanDerWaalsContact C-N 3.33Å; F137-T139 PolarHBondContact O-N 2.69Å; T139-T143 VanDerWaalsContact O-CB 3.27Å; T139-T143 WeakPolarHBondContact O-CB 3.48Å; T139-T143 PolarHBondContact O-N 2.64Å; T139-T143 PolarHBondContact O-OG1 3.36Å; T139-T176 HydrophobicContact CG2-CG2 3.65Å; T139-Y178 HydrophobicContact CG2-CD2 4.02Å; T139-Y178 WeakPolarHBondContact OG1-CD2 3.32Å
140	E	93.8	Very high	93.6	Very high	42 Å²	42	69.3 Å²	69.3	20%	0.196	38%	0.379	C	S	.	.	H	α-helix	trans	-67.4	-38.4	-179	-65.5	-61.7	158.4	0	0	111.6	G136 F137 T143 F144 A150 R151	G136-E140 WeakPolarHBondContact O-CG 3.49Å; G136-E140 PolarHBondContact O-N 3.19Å; F137-E140 PolarHBondContact O-N 2.9Å; E140-T143 PolarHBondContact O-N 3.26Å; E140-F144 PolarHBondContact O-N 3.31Å; E140-A150 HydrophobicContact CB-CB 4.24Å; E140-A150 WeakPolarHBondContact OE2-CA 3.42Å; E140-R151 WeakPolarHBondContact OE1-CD 3.37Å; E140-R151 IonicContact OE1-NE 2.93Å; E140-R151 PolarHBondContact OE2-N 3.23Å
141	R	95.3	Very high	93.6	Very high	109 Å²	109	71.3 Å²	71.3	41%	0.411	37%	0.37	S	S	.	.	H	α-helix	trans	-61.6	-51.1	177.4	-178.1	-171.1	157.5	-145.1	-9.3	112.6	F137 E138 T143 F144 E145	F137-R141 VanDerWaalsContact O-CB 3.3Å; F137-R141 WeakPolarHBondContact O-CB 3.41Å; F137-R141 PolarHBondContact O-N 2.91Å; E138-R141 PolarHBondContact O-N 3.04Å; E138-R141 IonicContact OE1-CZ 3.83Å; E138-R141 IonicContact OE1-NH1 3.17Å; E138-R141 PolarHBondContact OE1-NH1 2.88Å; E138-R141 IonicContact OE2-NH1 3.37Å; E138-R141 PolarHBondContact OE2-NH1 3.5Å; R141-T143 VanDerWaalsContact C-N 3.28Å; R141-T143 PolarHBondContact O-N 3.37Å; R141-F144 WeakPolarHBondContact O-CB 3.34Å; R141-F144 PolarHBondContact O-N 3.29Å; R141-E145 IonicContact CZ-OE1 3.11Å; R141-E145 IonicContact NE-OE1 3.77Å; R141-E145 PolarHBondContact NE-OE1 2.62Å; R141-E145 VanDerWaalsContact NE-OE1 3.08Å; R141-E145 IonicContact NH2-OE1 3.97Å; R141-E145 PolarHBondContact NH2-OE1 3.26Å; R141-E145 VanDerWaalsContact NH2-OE1 3.08Å; R141-E145 PolarHBondContact O-N 3.26Å
142	I	95.2	Very high	93.6	Very high	43 Å²	43	67.7 Å²	67.7	22%	0.221	34%	0.341	C	S	.	.	H	α-helix	trans	-68.4	-33.2	179.7	-59.1	173.6	0	0	0	110	E138 F144 E145 S146 V177	E138-I142 HydrophobicContact CG-CD1 3.72Å; E138-I142 HydrophobicContact CG-CG1 4.15Å; E138-I142 WeakPolarHBondContact O-CB 3.29Å; E138-I142 VanDerWaalsContact O-CG1 3.26Å; E138-I142 WeakPolarHBondContact O-CG1 3.4Å; E138-I142 PolarHBondContact O-N 2.98Å; I142-F144 VanDerWaalsContact C-N 3.33Å; I142-F144 PolarHBondContact O-N 3Å; I142-E145 PolarHBondContact O-N 3.42Å; I142-S146 VanDerWaalsContact O-CB 3.27Å; I142-S146 WeakPolarHBondContact O-CB 3.06Å; I142-S146 PolarHBondContact O-N 3.23Å; I142-S146 PolarHBondContact O-OG 3.07Å; I142-V177 HydrophobicContact CB-CG2 4.45Å; I142-V177 HydrophobicContact CG2-CB 4.13Å; I142-V177 HydrophobicContact CG2-CG1 3.99Å; I142-V177 HydrophobicContact CG2-CG2 3.89Å
143	T	93.8	Very high	93.6	Very high	1 Å²	1	68.1 Å²	68.1	1%	0.006	35%	0.349	C	S	.	.	H	α-helix	trans	-60.9	-43.2	173.3	-56	0	0	0	0	111	T139 E140 R141 S146 Y147 Y149 V177	T139-T143 VanDerWaalsContact O-CB 3.27Å; T139-T143 WeakPolarHBondContact O-CB 3.48Å; T139-T143 PolarHBondContact O-N 2.64Å; T139-T143 PolarHBondContact O-OG1 3.36Å; E140-T143 PolarHBondContact O-N 3.26Å; R141-T143 VanDerWaalsContact C-N 3.28Å; R141-T143 PolarHBondContact O-N 3.37Å; T143-S146 PolarHBondContact O-N 3.23Å; T143-S146 PolarHBondContact O-OG 3.49Å; T143-Y147 HydrophobicContact CG2-CD2 3.85Å; T143-Y147 PolarHBondContact O-N 3.27Å; T143-Y149 CarbonylContact C-O 3.6Å; T143-Y149 VanDerWaalsContact C-O 3.3Å; T143-Y149 HydrophobicContact CG2-CD2 4.15Å; T143-Y149 HydrophobicContact CG2-CE2 3.69Å; T143-Y149 WeakPolarHBondContact CG2-O 3.46Å; T143-V177 PolarHBondContact OG1-N 3.32Å
144	F	95.2	Very high	93.5	Very high	98 Å²	98	67 Å²	67	43%	0.43	34%	0.341	S	S	.	.	H	α-helix	trans	-64.1	-45.8	173.9	-166.4	-94.4	0	0	0	112.6	E140 R141 I142 S146 G148 Y149 A150	E140-F144 PolarHBondContact O-N 3.31Å; R141-F144 WeakPolarHBondContact O-CB 3.34Å; R141-F144 PolarHBondContact O-N 3.29Å; I142-F144 VanDerWaalsContact C-N 3.33Å; I142-F144 PolarHBondContact O-N 3Å; F144-S146 VanDerWaalsContact C-N 3.3Å; F144-S146 PolarHBondContact O-N 3.23Å; F144-G148 WeakPolarHBondContact O-CA 3.27Å; F144-G148 PolarHBondContact O-N 3.03Å; F144-Y149 VanDerWaalsContact CA-O 3.32Å; F144-Y149 WeakPolarHBondContact CA-O 3.49Å; F144-Y149 PolarHBondContact N-O 2.83Å; F144-A150 HydrophobicContact CB-CB 3.99Å; F144-A150 HydrophobicContact CD2-CB 4.05Å; F144-A150 HydrophobicContact CG-CB 4.49Å
145	E	93.6	Very high	93	Very high	127 Å²	127	67.9 Å²	67.9	59%	0.593	34%	0.341	S	S	*	.	H	α-helix	trans	-65.4	-30.8	179.6	-72.5	178.7	-168.9	0	0	113	R141 I142	R141-E145 IonicContact CZ-OE1 3.11Å; R141-E145 IonicContact NE-OE1 3.77Å; R141-E145 PolarHBondContact NE-OE1 2.62Å; R141-E145 VanDerWaalsContact NE-OE1 3.08Å; R141-E145 IonicContact NH2-OE1 3.97Å; R141-E145 PolarHBondContact NH2-OE1 3.26Å; R141-E145 VanDerWaalsContact NH2-OE1 3.08Å; R141-E145 PolarHBondContact O-N 3.26Å; I142-E145 PolarHBondContact O-N 3.42Å
146	S	90.6	Very high	92.4	Very high	62 Å²	62	69.1 Å²	69.1	43%	0.434	35%	0.354	S	S	.	.	H	α-helix	trans	-93.5	-41	-175.7	58.7	0	0	0	0	114.3	I142 T143 F144 V177	I142-S146 VanDerWaalsContact O-CB 3.27Å; I142-S146 WeakPolarHBondContact O-CB 3.06Å; I142-S146 PolarHBondContact O-N 3.23Å; I142-S146 PolarHBondContact O-OG 3.07Å; T143-S146 PolarHBondContact O-N 3.23Å; T143-S146 PolarHBondContact O-OG 3.49Å; F144-S146 VanDerWaalsContact C-N 3.3Å; F144-S146 PolarHBondContact O-N 3.23Å; S146-V177 WeakPolarHBondContact OG-CG2 3.5Å
147	Y	90.1	Very high	91.9	Very high	67 Å²	67	69 Å²	69	26%	0.263	35%	0.351	S	S	.	.	H	α-helix	trans	-114.6	-13.8	-174.6	-54.3	-42.1	0	0	0	113.8	T143 Y149 V177 I183 L186	T143-Y147 HydrophobicContact CG2-CD2 3.85Å; T143-Y147 PolarHBondContact O-N 3.27Å; Y147-Y149 VanDerWaalsContact CB-CE1 3.44Å; Y147-Y149 HydrophobicContact CD2-CE1 4.27Å; Y147-Y149 AromaticContact CD2-CZ 3.95Å; Y147-Y149 WeakPolarHBondContact CD2-OH 3.44Å; Y147-Y149 HydrophobicContact CG-CE1 4.19Å; Y147-V177 HydrophobicContact CD2-CG2 4.44Å; Y147-V177 HydrophobicContact CE2-CG2 3.91Å; Y147-I183 HydrophobicContact CD1-CD1 3.61Å; Y147-I183 HydrophobicContact CD2-CD1 4.18Å; Y147-I183 HydrophobicContact CE1-CD1 3.35Å; Y147-I183 HydrophobicContact CE2-CD1 3.95Å; Y147-I183 HydrophobicContact CG-CD1 4.03Å; Y147-L186 HydrophobicContact CD1-CD1 4.34Å; Y147-L186 HydrophobicContact CE1-CD1 4.19Å
148	G	91.7	Very high	91.5	Very high	28 Å²	28	67.9 Å²	67.9	29%	0.289	36%	0.355	S	S	.	.	S	Bend	trans	85.7	6.6	178	0	0	0	0	0	115.2	F144 G164 D165	F144-G148 WeakPolarHBondContact O-CA 3.27Å; F144-G148 PolarHBondContact O-N 3.03Å; G148-G164 WeakPolarHBondContact O-CA 3.32Å; G148-D165 PolarHBondContact O-N 2.98Å
149	Y	94.1	Very high	90.6	Very high	2 Å²	2	70 Å²	70	1%	0.008	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	155.5	174.2	65.6	-98	0	0	0	112.2	T143 F144 Y147 F162 I163 A168 A169 S172 L175	T143-Y149 CarbonylContact C-O 3.6Å; T143-Y149 VanDerWaalsContact C-O 3.3Å; T143-Y149 HydrophobicContact CG2-CD2 4.15Å; T143-Y149 HydrophobicContact CG2-CE2 3.69Å; T143-Y149 WeakPolarHBondContact CG2-O 3.46Å; F144-Y149 VanDerWaalsContact CA-O 3.32Å; F144-Y149 WeakPolarHBondContact CA-O 3.49Å; F144-Y149 PolarHBondContact N-O 2.83Å; Y147-Y149 VanDerWaalsContact CB-CE1 3.44Å; Y147-Y149 HydrophobicContact CD2-CE1 4.27Å; Y147-Y149 AromaticContact CD2-CZ 3.95Å; Y147-Y149 WeakPolarHBondContact CD2-OH 3.44Å; Y147-Y149 HydrophobicContact CG-CE1 4.19Å; Y149-F162 HydrophobicContact CD2-CD1 4.2Å; Y149-F162 HydrophobicContact CD2-CE1 4.47Å; Y149-I163 VanDerWaalsContact CA-O 3.3Å; Y149-I163 WeakPolarHBondContact CA-O 3.49Å; Y149-A168 HydrophobicContact CD1-CB 4.05Å; Y149-A168 HydrophobicContact CE1-CB 4.42Å; Y149-A169 HydrophobicContact CD1-CB 3.88Å; Y149-A169 HydrophobicContact CD2-CB 3.72Å; Y149-A169 HydrophobicContact CE1-CB 4.4Å; Y149-A169 HydrophobicContact CE2-CB 4.31Å; Y149-A169 HydrophobicContact CG-CB 3.52Å; Y149-S172 VanDerWaalsContact CE1-OG 3.29Å; Y149-S172 WeakPolarHBondContact CE1-OG 3.47Å; Y149-S172 WeakPolarHBondContact OH-CB 3.4Å; Y149-S172 PolarHBondContact OH-OG 3.32Å; Y149-L175 PolarHBondContact OH-N 2.69Å; Y149-L175 PolarHBondContact OH-O 2.9Å
150	A	94.3	Very high	90	Very high	7 Å²	7	74.9 Å²	74.9	6%	0.058	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	166.5	172.6	0	0	0	0	0	110.1	E140 F144 F162 I163	E140-A150 HydrophobicContact CB-CB 4.24Å; E140-A150 WeakPolarHBondContact OE2-CA 3.42Å; F144-A150 HydrophobicContact CB-CB 3.99Å; F144-A150 HydrophobicContact CD2-CB 4.05Å; F144-A150 HydrophobicContact CG-CB 4.49Å; A150-F162 CarbonylContact O-C 3.55Å; A150-F162 VanDerWaalsContact O-CA 3.3Å; A150-F162 WeakPolarHBondContact O-CA 3.16Å; A150-I163 PolarHBondContact N-O 3.24Å; A150-I163 WeakPolarHBondContact O-CG1 3.26Å; A150-I163 PolarHBondContact O-N 3.49Å
151	R	91.3	Very high	89.8	Confident	118 Å²	118	74.2 Å²	74.2	45%	0.445	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	145.3	170.2	-64.8	-177.5	-174.5	174.6	5.9	111	E140 P153 A161 F162	E140-R151 WeakPolarHBondContact OE1-CD 3.37Å; E140-R151 IonicContact OE1-NE 2.93Å; E140-R151 PolarHBondContact OE2-N 3.23Å; R151-P153 WeakPolarHBondContact O-CD 3.39Å; R151-A161 WeakPolarHBondContact CA-O 3.45Å; R151-F162 HydrophobicContact CG-CD1 4.15Å; R151-F162 HydrophobicContact CG-CE1 3.89Å
152	D	92	Very high	89.7	Confident	52 Å²	52	71.9 Å²	71.9	28%	0.278	40%	0.401	S	S	.	.			trans	-66.8	119.7	177.6	-165.4	-23.3	0	0	0	110.5	S154 A157 A161 I163	D152-S154 PolarHBondContact O-N 3.29Å; D152-S154 VanDerWaalsContact OD1-CB 3.25Å; D152-S154 WeakPolarHBondContact OD1-CB 3.43Å; D152-S154 PolarHBondContact OD1-N 3.4Å; D152-S154 PolarHBondContact OD1-OG 3Å; D152-S154 PolarHBondContact OD2-OG 3.33Å; D152-A157 HydrophobicContact CB-CB 3.89Å; D152-A157 WeakPolarHBondContact OD2-CB 3.43Å; D152-A161 HydrophobicContact CB-CB 4.18Å; D152-A161 PolarHBondContact N-O 3.38Å; D152-I163 HydrophobicContact CB-CG2 3.89Å
153	P	91.2	Very high	89.6	Confident	103 Å²	103	72.9 Å²	72.9	67%	0.669	41%	0.406	S	S	*	.			trans	-81.1	1.3	178.7	34.2	-36.2	0	0	0	113.5	R151	R151-P153 WeakPolarHBondContact O-CD 3.39Å
154	S	91	Very high	89.5	Confident	55 Å²	55	75.3 Å²	75.3	39%	0.385	43%	0.431	S	S	.	.			trans	-74.7	138.3	-177.9	65.1	0	0	0	0	113	D152 N156 A157	D152-S154 PolarHBondContact O-N 3.29Å; D152-S154 VanDerWaalsContact OD1-CB 3.25Å; D152-S154 WeakPolarHBondContact OD1-CB 3.43Å; D152-S154 PolarHBondContact OD1-N 3.4Å; D152-S154 PolarHBondContact OD1-OG 3Å; D152-S154 PolarHBondContact OD2-OG 3.33Å; S154-N156 PolarHBondContact O-N 2.83Å; S154-A157 PolarHBondContact O-N 3.23Å; S154-A157 WeakPolarHBondContact OG-CB 3.3Å
155	E	85	Confident	89.3	Confident	167 Å²	167	74.2 Å²	74.2	78%	0.78	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-25	-176.2	-60.9	-172.3	158.1	0	0	113.7
156	N	83.7	Confident	89.2	Confident	162 Å²	162	71.3 Å²	71.3	87%	0.866	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-10.2	-177	-66	-30.8	0	0	0	113.5	S154	S154-N156 PolarHBondContact O-N 2.83Å
157	A	82	Confident	89.2	Confident	25 Å²	25	71.3 Å²	71.3	21%	0.207	42%	0.421	C	S	.	.	S	Bend	trans	-78.7	148.6	178.5	0	0	0	0	0	111.1	D152 S154 S159	D152-A157 HydrophobicContact CB-CB 3.89Å; D152-A157 WeakPolarHBondContact OD2-CB 3.43Å; S154-A157 PolarHBondContact O-N 3.23Å; S154-A157 WeakPolarHBondContact OG-CB 3.3Å; A157-S159 PolarHBondContact O-N 3.49Å
158	P	85.6	Confident	89.1	Confident	89 Å²	89	69.2 Å²	69.2	58%	0.578	42%	0.417	S	S	*	.			trans	-61.5	135.6	169.6	24.4	-28.4	0	0	0	108.9	T160 A161	P158-T160 PolarHBondContact O-N 3.33Å; P158-A161 HydrophobicContact CG-CB 4.05Å; P158-A161 WeakPolarHBondContact O-CB 3.42Å; P158-A161 PolarHBondContact O-N 3.01Å
159	S	77.2	Confident	89	Confident	106 Å²	106	67.9 Å²	67.9	74%	0.741	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-11.9	-174.5	56.8	0	0	0	0	115.1	A157	A157-S159 PolarHBondContact O-N 3.49Å
160	T	82.5	Confident	88.8	Confident	110 Å²	110	74.8 Å²	74.8	68%	0.675	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.1	-1.1	178.9	57.9	0	0	0	0	113.5	P158	P158-T160 PolarHBondContact O-N 3.33Å
161	A	90.7	Very high	88.4	Confident	28 Å²	28	81.9 Å²	81.9	23%	0.231	47%	0.467	C	S	.	.			trans	-73.3	131.7	179.9	0	0	0	0	0	111.4	R151 D152 P158	R151-A161 WeakPolarHBondContact CA-O 3.45Å; D152-A161 HydrophobicContact CB-CB 4.18Å; D152-A161 PolarHBondContact N-O 3.38Å; P158-A161 HydrophobicContact CG-CB 4.05Å; P158-A161 WeakPolarHBondContact O-CB 3.42Å; P158-A161 PolarHBondContact O-N 3.01Å
162	F	92.8	Very high	88.2	Confident	59 Å²	59	77 Å²	77	26%	0.259	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	145.7	168.8	-65.2	-74.7	0	0	0	110.5	Y149 A150 R151 A169	Y149-F162 HydrophobicContact CD2-CD1 4.2Å; Y149-F162 HydrophobicContact CD2-CE1 4.47Å; A150-F162 CarbonylContact O-C 3.55Å; A150-F162 VanDerWaalsContact O-CA 3.3Å; A150-F162 WeakPolarHBondContact O-CA 3.16Å; R151-F162 HydrophobicContact CG-CD1 4.15Å; R151-F162 HydrophobicContact CG-CE1 3.89Å; F162-A169 HydrophobicContact CB-CB 4.03Å; F162-A169 HydrophobicContact CD1-CB 4.16Å; F162-A169 HydrophobicContact CD2-CB 4.05Å; F162-A169 HydrophobicContact CG-CB 3.82Å
163	I	92.7	Very high	88	Confident	65 Å²	65	83.8 Å²	83.8	33%	0.333	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	151.3	173.7	53.9	166.9	0	0	0	109.8	Y149 A150 D152	Y149-I163 VanDerWaalsContact CA-O 3.3Å; Y149-I163 WeakPolarHBondContact CA-O 3.49Å; A150-I163 PolarHBondContact N-O 3.24Å; A150-I163 WeakPolarHBondContact O-CG1 3.26Å; A150-I163 PolarHBondContact O-N 3.49Å; D152-I163 HydrophobicContact CB-CG2 3.89Å
164	G	92.2	Very high	87.8	Confident	51 Å²	51	79.2 Å²	79.2	53%	0.526	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	97	-132.6	-173.3	0	0	0	0	0	111.9	G148 V166	G148-G164 WeakPolarHBondContact O-CA 3.32Å; G164-V166 PolarHBondContact O-N 2.93Å; G164-V166 VanDerWaalsContact O-N 3.16Å
165	D	91.4	Very high	87.8	Confident	75 Å²	75	77.6 Å²	77.6	40%	0.401	44%	0.436	S	S	.	.			trans	-82.4	85.8	175.8	-168.3	-8.3	0	0	0	111.4	G148 S167 A168 A169	G148-D165 PolarHBondContact O-N 2.98Å; D165-S167 PolarHBondContact O-N 3.25Å; D165-S167 PolarHBondContact OD1-N 3.46Å; D165-S167 PolarHBondContact OD1-OG 3.43Å; D165-A168 HydrophobicContact CB-CB 4.02Å; D165-A168 PolarHBondContact O-N 2.92Å; D165-A168 PolarHBondContact OD1-N 3.27Å; D165-A169 PolarHBondContact O-N 3.47Å; D165-A169 VanDerWaalsContact O-N 3.07Å
166	V	91.4	Very high	88.1	Confident	67 Å²	67	70 Å²	70	41%	0.406	40%	0.402	S	S	.	.	H	α-helix	trans	-60.1	-31.8	179.9	-175.3	0	0	0	0	111.6	G164 A169 E170	G164-V166 PolarHBondContact O-N 2.93Å; G164-V166 VanDerWaalsContact O-N 3.16Å; V166-A169 WeakPolarHBondContact O-CB 3.27Å; V166-A169 PolarHBondContact O-N 3.1Å; V166-E170 WeakPolarHBondContact O-CG 3.49Å; V166-E170 PolarHBondContact O-N 2.87Å
167	S	90.6	Very high	88.4	Confident	62 Å²	62	64.8 Å²	64.8	43%	0.434	38%	0.375	S	S	.	.	H	α-helix	trans	-67.6	-41.2	179.6	76.5	0	0	0	0	111.7	D165 A169 E170 Q171	D165-S167 PolarHBondContact O-N 3.25Å; D165-S167 PolarHBondContact OD1-N 3.46Å; D165-S167 PolarHBondContact OD1-OG 3.43Å; S167-A169 VanDerWaalsContact C-N 3.35Å; S167-E170 PolarHBondContact O-N 3.39Å; S167-Q171 VanDerWaalsContact O-CG 3.26Å; S167-Q171 WeakPolarHBondContact O-CG 3.22Å; S167-Q171 PolarHBondContact O-N 2.88Å; S167-Q171 VanDerWaalsContact O-N 3.15Å
168	A	88.8	Confident	88.8	Confident	22 Å²	22	69.4 Å²	69.4	18%	0.182	39%	0.388	C	S	.	.	H	α-helix	trans	-66.2	-38.1	172.9	0	0	0	0	0	111.5	Y149 D165 Q171 S172	Y149-A168 HydrophobicContact CD1-CB 4.05Å; Y149-A168 HydrophobicContact CE1-CB 4.42Å; D165-A168 HydrophobicContact CB-CB 4.02Å; D165-A168 PolarHBondContact O-N 2.92Å; D165-A168 PolarHBondContact OD1-N 3.27Å; A168-Q171 PolarHBondContact O-N 3.35Å; A168-S172 WeakPolarHBondContact O-CB 3.45Å; A168-S172 PolarHBondContact O-N 3.08Å; A168-S172 PolarHBondContact O-OG 3.08Å
169	A	89.6	Confident	89	Confident	0 Å²	0	69.9 Å²	69.9	0%	0	38%	0.383	C	S	.	.	H	α-helix	trans	-62.2	-42.2	177	0	0	0	0	0	112.5	Y149 F162 D165 V166 S167 S172 K173 G174	Y149-A169 HydrophobicContact CD1-CB 3.88Å; Y149-A169 HydrophobicContact CD2-CB 3.72Å; Y149-A169 HydrophobicContact CE1-CB 4.4Å; Y149-A169 HydrophobicContact CE2-CB 4.31Å; Y149-A169 HydrophobicContact CG-CB 3.52Å; F162-A169 HydrophobicContact CB-CB 4.03Å; F162-A169 HydrophobicContact CD1-CB 4.16Å; F162-A169 HydrophobicContact CD2-CB 4.05Å; F162-A169 HydrophobicContact CG-CB 3.82Å; D165-A169 PolarHBondContact O-N 3.47Å; D165-A169 VanDerWaalsContact O-N 3.07Å; V166-A169 WeakPolarHBondContact O-CB 3.27Å; V166-A169 PolarHBondContact O-N 3.1Å; S167-A169 VanDerWaalsContact C-N 3.35Å; A169-S172 PolarHBondContact O-OG 2.95Å; A169-K173 CarbonylContact O-C 3.52Å; A169-K173 WeakPolarHBondContact O-CA 3.35Å; A169-K173 PolarHBondContact O-N 3.02Å; A169-G174 PolarHBondContact O-N 2.65Å
170	E	88.5	Confident	89.2	Confident	148 Å²	148	71.3 Å²	71.3	69%	0.692	39%	0.393	S	S	*	.	H	α-helix	trans	-67.1	-42	176.6	-73.4	-179.5	176.4	0	0	111.8	V166 S167 K173	V166-E170 WeakPolarHBondContact O-CG 3.49Å; V166-E170 PolarHBondContact O-N 2.87Å; S167-E170 PolarHBondContact O-N 3.39Å; E170-K173 PolarHBondContact O-N 3.47Å
171	Q	87.3	Confident	89	Confident	155 Å²	155	68 Å²	68	72%	0.724	38%	0.38	S	S	*	.	H	α-helix	trans	-63.3	-42.7	177.6	-72	171.3	23.7	0	0	112.3	S167 A168 K173	S167-Q171 VanDerWaalsContact O-CG 3.26Å; S167-Q171 WeakPolarHBondContact O-CG 3.22Å; S167-Q171 PolarHBondContact O-N 2.88Å; S167-Q171 VanDerWaalsContact O-N 3.15Å; A168-Q171 PolarHBondContact O-N 3.35Å; Q171-K173 VanDerWaalsContact C-N 3.28Å; Q171-K173 PolarHBondContact O-N 3.16Å
172	S	85.5	Confident	87.9	Confident	15 Å²	15	76.5 Å²	76.5	11%	0.105	41%	0.412	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-2.6	179	69.3	0	0	0	0	113.6	Y149 A168 A169 G174 L175	Y149-S172 VanDerWaalsContact CE1-OG 3.29Å; Y149-S172 WeakPolarHBondContact CE1-OG 3.47Å; Y149-S172 WeakPolarHBondContact OH-CB 3.4Å; Y149-S172 PolarHBondContact OH-OG 3.32Å; A168-S172 WeakPolarHBondContact O-CB 3.45Å; A168-S172 PolarHBondContact O-N 3.08Å; A168-S172 PolarHBondContact O-OG 3.08Å; A169-S172 PolarHBondContact O-OG 2.95Å; S172-G174 PolarHBondContact O-N 2.89Å; S172-G174 PolarHBondContact OG-N 2.6Å; S172-L175 WeakPolarHBondContact O-CB 3.48Å; S172-L175 PolarHBondContact O-N 3.45Å
173	K	87.5	Confident	86.7	Confident	196 Å²	196	75.4 Å²	75.4	85%	0.852	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.9	32.6	-172.6	-56.3	177.1	-178.8	174.6	0	113.1	A169 E170 Q171 L175	A169-K173 CarbonylContact O-C 3.52Å; A169-K173 WeakPolarHBondContact O-CA 3.35Å; A169-K173 PolarHBondContact O-N 3.02Å; E170-K173 PolarHBondContact O-N 3.47Å; Q171-K173 VanDerWaalsContact C-N 3.28Å; Q171-K173 PolarHBondContact O-N 3.16Å; K173-L175 VanDerWaalsContact C-N 3.34Å; K173-L175 PolarHBondContact O-N 3.18Å
174	G	87.8	Confident	85.2	Confident	6 Å²	6	81.4 Å²	81.4	6%	0.062	44%	0.435	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.8	28.7	178.7	0	0	0	0	0	114	A169 S172 T176	A169-G174 PolarHBondContact O-N 2.65Å; S172-G174 PolarHBondContact O-N 2.89Å; S172-G174 PolarHBondContact OG-N 2.6Å; G174-T176 PolarHBondContact O-N 3.46Å
175	L	90.5	Very high	83.9	Confident	21 Å²	21	82.9 Å²	82.9	11%	0.11	45%	0.451	C	S	.	.			trans	-57.4	132.6	179.4	-172.1	76.8	0	0	0	111.2	Y149 S172 K173 E179 I183	Y149-L175 PolarHBondContact OH-N 2.69Å; Y149-L175 PolarHBondContact OH-O 2.9Å; S172-L175 WeakPolarHBondContact O-CB 3.48Å; S172-L175 PolarHBondContact O-N 3.45Å; K173-L175 VanDerWaalsContact C-N 3.34Å; K173-L175 PolarHBondContact O-N 3.18Å; L175-E179 HydrophobicContact CD1-CB 3.57Å; L175-E179 HydrophobicContact CG-CB 4.28Å; L175-I183 HydrophobicContact CD2-CD1 4.23Å; L175-I183 HydrophobicContact CD2-CG1 3.86Å
176	T	91.6	Very high	82.4	Confident	8 Å²	8	84.6 Å²	84.6	5%	0.049	46%	0.459	C	S	.	.			trans	-93.6	163.2	172.7	66.6	0	0	0	0	111.8	T139 G174 Y178 E179	T139-T176 HydrophobicContact CG2-CG2 3.65Å; G174-T176 PolarHBondContact O-N 3.46Å; T176-Y178 PolarHBondContact O-N 3.37Å; T176-E179 PolarHBondContact N-OE2 2.91Å; T176-E179 PolarHBondContact O-N 2.93Å; T176-E179 VanDerWaalsContact O-N 3.14Å; T176-E179 VanDerWaalsContact OG1-CG 3.27Å; T176-E179 WeakPolarHBondContact OG1-CG 3.45Å; T176-E179 PolarHBondContact OG1-OE1 3.44Å
177	V	89.8	Confident	80.9	Confident	52 Å²	52	91.5 Å²	91.5	32%	0.315	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-26.2	-178	179.4	0	0	0	0	113.4	I142 T143 S146 Y147	I142-V177 HydrophobicContact CB-CG2 4.45Å; I142-V177 HydrophobicContact CG2-CB 4.13Å; I142-V177 HydrophobicContact CG2-CG1 3.99Å; I142-V177 HydrophobicContact CG2-CG2 3.89Å; T143-V177 PolarHBondContact OG1-N 3.32Å; S146-V177 WeakPolarHBondContact OG-CG2 3.5Å; Y147-V177 HydrophobicContact CD2-CG2 4.44Å; Y147-V177 HydrophobicContact CE2-CG2 3.91Å
178	Y	90.6	Very high	79.9	Confident	123 Å²	123	97.5 Å²	97.5	48%	0.482	50%	0.499	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-11.5	178.5	-64.6	-67.3	0	0	0	113.3	F135 T139 T176	F135-Y178 AromaticContact CE2-CD2 3.88Å; F135-Y178 HydrophobicContact CE2-CD2 3.88Å; F135-Y178 HydrophobicContact CE2-CE2 4.09Å; F135-Y178 HydrophobicContact CE2-CG 4.2Å; F135-Y178 HydrophobicContact CZ-CD2 4.08Å; F135-Y178 HydrophobicContact CZ-CG 4.35Å; T139-Y178 HydrophobicContact CG2-CD2 4.02Å; T139-Y178 WeakPolarHBondContact OG1-CD2 3.32Å; T176-Y178 PolarHBondContact O-N 3.37Å
179	E	90.9	Very high	79.5	Confident	99 Å²	99	106.2 Å²	106.2	46%	0.463	53%	0.533	S	S	.	.	S	Bend	trans	-86.4	135	178	-75.1	166.1	-168.1	0	0	111.2	L175 T176 G181	L175-E179 HydrophobicContact CD1-CB 3.57Å; L175-E179 HydrophobicContact CG-CB 4.28Å; T176-E179 PolarHBondContact N-OE2 2.91Å; T176-E179 PolarHBondContact O-N 2.93Å; T176-E179 VanDerWaalsContact O-N 3.14Å; T176-E179 VanDerWaalsContact OG1-CG 3.27Å; T176-E179 WeakPolarHBondContact OG1-CG 3.45Å; T176-E179 PolarHBondContact OG1-OE1 3.44Å; E179-G181 VanDerWaalsContact C-N 3.28Å; E179-G181 PolarHBondContact O-N 2.99Å
180	S	81.2	Confident	79.4	Confident	136 Å²	136	112 Å²	112	95%	0.951	56%	0.555	S	S	*	*			trans	-77.6	79.5	175.7	60.5	0	0	0	0	110.5
181	G	77.1	Confident	79.4	Confident	39 Å²	39	112.6 Å²	112.6	40%	0.402	56%	0.555	S	S	.	*			trans	-122.1	152	173.4	0	0	0	0	0	112.1	E179	E179-G181 VanDerWaalsContact C-N 3.28Å; E179-G181 PolarHBondContact O-N 2.99Å
182	K	68.1	Low	79.5	Confident	208 Å²	208	110.7 Å²	110.7	90%	0.904	54%	0.541	S	S	*	.	P	Polyproline II helix	trans	-101	118.2	169.8	-67.5	179.9	-176.7	174.1	0	107.5
183	I	68.5	Low	79.5	Confident	35 Å²	35	113.5 Å²	113.5	18%	0.179	55%	0.554	C	S	.	*	P	Polyproline II helix	trans	-80.3	119.9	166.8	-58.5	169	0	0	0	106.7	Y147 L175 G185 L186	Y147-I183 HydrophobicContact CD1-CD1 3.61Å; Y147-I183 HydrophobicContact CD2-CD1 4.18Å; Y147-I183 HydrophobicContact CE1-CD1 3.35Å; Y147-I183 HydrophobicContact CE2-CD1 3.95Å; Y147-I183 HydrophobicContact CG-CD1 4.03Å; L175-I183 HydrophobicContact CD2-CD1 4.23Å; L175-I183 HydrophobicContact CD2-CG1 3.86Å; I183-G185 PolarHBondContact O-N 3.29Å; I183-L186 HydrophobicContact CB-CB 4.29Å; I183-L186 HydrophobicContact CB-CD1 3.52Å; I183-L186 HydrophobicContact CB-CG 4.41Å; I183-L186 HydrophobicContact CD1-CD1 3.49Å; I183-L186 VanDerWaalsContact CD1-CD1 3.49Å; I183-L186 HydrophobicContact CG1-CD1 4.05Å; I183-L186 HydrophobicContact CG2-CD1 3.67Å; I183-L186 HydrophobicContact CG2-CG 4.45Å; I183-L186 PolarHBondContact O-N 3Å
184	E	61.2	Low	79.3	Confident	191 Å²	191	112.1 Å²	112.1	89%	0.893	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	130.5	177	-71.3	-175.3	161.1	0	0	109.6
185	G	63.1	Low	79.3	Confident	83 Å²	83	113.1 Å²	113.1	86%	0.856	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	93.7	-12.5	-178.2	0	0	0	0	0	115.9	I183 R187	I183-G185 PolarHBondContact O-N 3.29Å; G185-R187 VanDerWaalsContact C-N 3.31Å; G185-R187 PolarHBondContact O-N 3.26Å
186	L	60.1	Low	79.1	Confident	110 Å²	110	117.4 Å²	117.4	58%	0.576	58%	0.575	S	S	*	*			trans	-77	82.8	175.8	-100.8	156.9	0	0	0	111.8	Y147 I183	Y147-L186 HydrophobicContact CD1-CD1 4.34Å; Y147-L186 HydrophobicContact CE1-CD1 4.19Å; I183-L186 HydrophobicContact CB-CB 4.29Å; I183-L186 HydrophobicContact CB-CD1 3.52Å; I183-L186 HydrophobicContact CB-CG 4.41Å; I183-L186 HydrophobicContact CD1-CD1 3.49Å; I183-L186 VanDerWaalsContact CD1-CD1 3.49Å; I183-L186 HydrophobicContact CG1-CD1 4.05Å; I183-L186 HydrophobicContact CG2-CD1 3.67Å; I183-L186 HydrophobicContact CG2-CG 4.45Å; I183-L186 PolarHBondContact O-N 3Å
187	R	61	Low	78.9	Confident	212 Å²	212	122.3 Å²	122.3	80%	0.8	60%	0.601	S	S	*	*			trans	41	128.2	157.8	-81.7	179.3	167.9	172.4	-3.6	119.3	G185 K189	G185-R187 VanDerWaalsContact C-N 3.31Å; G185-R187 PolarHBondContact O-N 3.26Å; R187-K189 PolarHBondContact O-N 2.9Å
188	Q	68.8	Low	78.8	Confident	189 Å²	189	123.3 Å²	123.3	88%	0.883	62%	0.615	S	S	*	*	P	Polyproline II helix	trans	-46.9	126	153.3	-69.8	178.4	-10.8	0	0	109.5	R190	Q188-R190 PolarHBondContact O-N 3.2Å
189	K	80.4	Confident	78.7	Confident	205 Å²	205	127.2 Å²	127.2	89%	0.891	64%	0.635	S	S	*	*	P	Polyproline II helix	trans	-54.7	125.1	179.2	-67.1	-178.6	179.3	-179.6	0	109.4	R187 K191	R187-K189 PolarHBondContact O-N 2.9Å; K189-K191 PolarHBondContact O-N 2.95Å
190	R	87.4	Confident	78.6	Confident	121 Å²	121	125.2 Å²	125.2	46%	0.457	63%	0.627	S	S	.	*	P	Polyproline II helix	trans	-57.9	135.1	174.1	-69.4	176.7	70.2	-171.3	-2.8	109.7	Q188 Y211 D213	Q188-R190 PolarHBondContact O-N 3.2Å; R190-Y211 HydrophobicContact CB-CD1 3.54Å; R190-Y211 HydrophobicContact CB-CE1 3.72Å; R190-Y211 HydrophobicContact CB-CG 4.46Å; R190-D213 IonicContact CZ-OD1 2.88Å; R190-D213 IonicContact CZ-OD2 2.84Å; R190-D213 IonicContact NE-OD1 3.43Å; R190-D213 PolarHBondContact NE-OD1 3.21Å; R190-D213 IonicContact NE-OD2 3.75Å; R190-D213 PolarHBondContact NE-OD2 3.26Å; R190-D213 VanDerWaalsContact NE-OD2 3.11Å; R190-D213 IonicContact NH2-OD1 2.71Å; R190-D213 PolarHBondContact NH2-OD1 2.76Å; R190-D213 IonicContact NH2-OD2 2.75Å; R190-D213 PolarHBondContact NH2-OD2 2.84Å; R190-D213 VanDerWaalsContact NH2-OD2 3.15Å
191	K	88.3	Confident	78.7	Confident	161 Å²	161	126.8 Å²	126.8	70%	0.7	62%	0.624	S	S	*	*	P	Polyproline II helix	trans	-75.6	139.2	179.2	-64.4	-178	-179.1	177.8	0	109.6	K189 Y211 D212	K189-K191 PolarHBondContact O-N 2.95Å; K191-Y211 WeakPolarHBondContact O-CA 3.31Å; K191-D212 WeakPolarHBondContact CB-OD2 3.32Å; K191-D212 PolarHBondContact O-N 3.42Å; K191-D212 VanDerWaalsContact O-N 3.08Å
192	R	89.6	Confident	79	Confident	115 Å²	115	133.4 Å²	133.4	43%	0.434	65%	0.645	S	S	.	*	B	Isolated β-bridge	trans	-116.8	146.6	176.7	-67.2	-175.5	-177.9	177.2	1.1	108.6	K194 A209 Y211	R192-K194 HydrophobicContact CB-CG 4.42Å; R192-K194 PolarHBondContact O-N 2.94Å; R192-A209 HydrophobicContact CB-CB 4.23Å; R192-Y211 HydrophobicContact CG-CD1 3.51Å; R192-Y211 HydrophobicContact CG-CE1 3.61Å; R192-Y211 HydrophobicContact CG-CG 4.34Å; R192-Y211 VanDerWaalsContact NE-CE1 3.32Å; R192-Y211 PolarHBondContact NH2-OH 3.07Å
193	L	86.2	Confident	79.9	Confident	73 Å²	73	127.6 Å²	127.6	38%	0.382	62%	0.624	S	S	.	*			trans	-72.7	90.1	172.3	-65.2	175.9	0	0	0	109.5	K205 A209 P210 D212	L193-K205 HydrophobicContact CB-CD 3.88Å; L193-K205 VanDerWaalsContact CD1-NZ 3.34Å; L193-K205 WeakPolarHBondContact O-CD 3.49Å; L193-A209 WeakPolarHBondContact O-CB 3.45Å; L193-P210 HydrophobicContact CD1-CG 4.21Å; L193-P210 PolarHBondContact N-O 2.81Å; L193-P210 VanDerWaalsContact N-O 3.11Å; L193-D212 WeakPolarHBondContact CD2-OD1 3.25Å; L193-D212 WeakPolarHBondContact CG-OD1 3.32Å; L193-D212 PolarHBondContact N-OD1 2.93Å
194	K	82.8	Confident	80.9	Confident	167 Å²	167	130 Å²	130	73%	0.726	63%	0.633	S	S	*	*			trans	-86.4	118.2	-176.6	-66.7	179.4	-176.4	-179.4	0	111.3	R192	R192-K194 HydrophobicContact CB-CG 4.42Å; R192-K194 PolarHBondContact O-N 2.94Å
195	N	87.1	Confident	82.1	Confident	28 Å²	28	124.2 Å²	124.2	15%	0.15	61%	0.605	C	S	.	*			trans	-132.6	108	157.3	-177	3.6	0	0	0	107.5	D197 D200 N203 K205 G206	N195-D197 PolarHBondContact OD1-N 3.4Å; N195-D197 VanDerWaalsContact OD1-N 3.12Å; N195-D200 PolarHBondContact ND2-OD2 3.4Å; N195-D200 VanDerWaalsContact ND2-OD2 3.1Å; N195-N203 VanDerWaalsContact CB-O 3.24Å; N195-N203 WeakPolarHBondContact CB-O 3.41Å; N195-N203 WeakPolarHBondContact ND2-CB 3.33Å; N195-N203 PolarHBondContact ND2-O 2.97Å; N195-K205 PolarHBondContact O-N 2.89Å; N195-G206 PolarHBondContact O-N 2.87Å
196	N	88	Confident	83.2	Confident	110 Å²	110	120.7 Å²	120.7	59%	0.588	57%	0.569	S	S	*	*			trans	-101.1	1.3	-177.3	-67.5	-12.9	0	0	0	112.2	A198	N196-A198 PolarHBondContact O-N 3.2Å
197	D	87.6	Confident	84.7	Confident	111 Å²	111	120.6 Å²	120.6	59%	0.594	58%	0.575	S	S	*	*			trans	-82.6	102.2	-177.7	-67.3	-16.7	0	0	0	109.2	N195 F199 D200 F204	N195-D197 PolarHBondContact OD1-N 3.4Å; N195-D197 VanDerWaalsContact OD1-N 3.12Å; D197-F199 PolarHBondContact O-N 3.23Å; D197-D200 PolarHBondContact O-N 3.21Å; D197-D200 VanDerWaalsContact O-N 3.12Å; D197-F204 WeakPolarHBondContact O-CD2 3.32Å
198	A	87.1	Confident	85.9	Confident	74 Å²	74	119.9 Å²	119.9	61%	0.612	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.6	-7.6	-179.7	0	0	0	0	0	113.8	N196 F204	N196-A198 PolarHBondContact O-N 3.2Å; A198-F204 HydrophobicContact CB-CD2 4.32Å; A198-F204 HydrophobicContact CB-CE2 4.14Å
199	F	88.2	Confident	86.9	Confident	205 Å²	205	111.4 Å²	111.4	90%	0.899	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-22.7	173.6	-69.3	-77.5	0	0	0	113.1	D197 L201	D197-F199 PolarHBondContact O-N 3.23Å; F199-L201 PolarHBondContact O-N 3.42Å
200	D	87.7	Confident	87.4	Confident	56 Å²	56	102.8 Å²	102.8	30%	0.299	50%	0.499	S	S	.	.			trans	-84.5	93.5	176.7	-175.6	-6.7	0	0	0	110.2	N195 D197 E202 N203 F204	N195-D200 PolarHBondContact ND2-OD2 3.4Å; N195-D200 VanDerWaalsContact ND2-OD2 3.1Å; D197-D200 PolarHBondContact O-N 3.21Å; D197-D200 VanDerWaalsContact O-N 3.12Å; D200-E202 PolarHBondContact O-N 3.11Å; D200-E202 PolarHBondContact OD1-N 3.08Å; D200-N203 PolarHBondContact OD1-N 3.21Å; D200-N203 VanDerWaalsContact OD1-N 3.12Å; D200-N203 PolarHBondContact OD1-ND2 2.94Å; D200-N203 VanDerWaalsContact OD2-CB 3.26Å; D200-N203 WeakPolarHBondContact OD2-CB 3.3Å; D200-N203 PolarHBondContact OD2-ND2 2.95Å; D200-F204 WeakPolarHBondContact O-CB 3.34Å; D200-F204 PolarHBondContact O-N 2.98Å
201	L	84.1	Confident	87.6	Confident	169 Å²	169	100.3 Å²	100.3	89%	0.885	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-29.6	-176.9	-70.8	165.7	0	0	0	113.7	F199	F199-L201 PolarHBondContact O-N 3.42Å
202	E	83.8	Confident	87.6	Confident	178 Å²	178	96.7 Å²	96.7	83%	0.832	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	-38.3	-173	-66.7	-172.9	170.3	0	0	112.4	D200	D200-E202 PolarHBondContact O-N 3.11Å; D200-E202 PolarHBondContact OD1-N 3.08Å
203	N	85.8	Confident	87.5	Confident	87 Å²	87	96 Å²	96	47%	0.465	48%	0.483	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.4	2.5	-174.1	-45.5	-68.2	0	0	0	114.9	N195 D200 K205	N195-N203 VanDerWaalsContact CB-O 3.24Å; N195-N203 WeakPolarHBondContact CB-O 3.41Å; N195-N203 WeakPolarHBondContact ND2-CB 3.33Å; N195-N203 PolarHBondContact ND2-O 2.97Å; D200-N203 PolarHBondContact OD1-N 3.21Å; D200-N203 VanDerWaalsContact OD1-N 3.12Å; D200-N203 PolarHBondContact OD1-ND2 2.94Å; D200-N203 VanDerWaalsContact OD2-CB 3.26Å; D200-N203 WeakPolarHBondContact OD2-CB 3.3Å; D200-N203 PolarHBondContact OD2-ND2 2.95Å; N203-K205 WeakPolarHBondContact O-CG 3.35Å; N203-K205 PolarHBondContact O-N 2.83Å; N203-K205 VanDerWaalsContact O-N 3.13Å
204	F	89.7	Confident	87.6	Confident	85 Å²	85	96.9 Å²	96.9	37%	0.373	49%	0.486	S	S	.	.			trans	-58.2	118.9	175.1	175.4	-105.9	0	0	0	110.6	D197 A198 D200 W208	D197-F204 WeakPolarHBondContact O-CD2 3.32Å; A198-F204 HydrophobicContact CB-CD2 4.32Å; A198-F204 HydrophobicContact CB-CE2 4.14Å; D200-F204 WeakPolarHBondContact O-CB 3.34Å; D200-F204 PolarHBondContact O-N 2.98Å; F204-W208 HydrophobicContact CE1-CZ3 4.19Å
205	K	86.7	Confident	87.7	Confident	69 Å²	69	94.5 Å²	94.5	30%	0.3	49%	0.485	S	S	.	.			trans	-112.2	-34	-177.1	-77.9	170.6	-175.4	176.5	0	112	L193 N195 N203 W208 A209	L193-K205 HydrophobicContact CB-CD 3.88Å; L193-K205 VanDerWaalsContact CD1-NZ 3.34Å; L193-K205 WeakPolarHBondContact O-CD 3.49Å; N195-K205 PolarHBondContact O-N 2.89Å; N203-K205 WeakPolarHBondContact O-CG 3.35Å; N203-K205 PolarHBondContact O-N 2.83Å; N203-K205 VanDerWaalsContact O-N 3.13Å; K205-W208 CarbonylContact O-C 3.46Å; K205-W208 WeakPolarHBondContact O-CA 3.3Å; K205-W208 WeakPolarHBondContact O-CB 3.35Å; K205-W208 PolarHBondContact O-N 3.45Å; K205-A209 HydrophobicContact CB-CB 3.98Å; K205-A209 PolarHBondContact O-N 3.48Å
206	G	87.5	Confident	87.5	Confident	10 Å²	10	102.2 Å²	102.2	10%	0.103	51%	0.512	C	S	.	.	G	3₁₀ helix	trans	47	-135.5	178.9	0	0	0	0	0	112.9	N195 W208 A209	N195-G206 PolarHBondContact O-N 2.87Å; G206-W208 PolarHBondContact O-N 3.39Å; G206-A209 WeakPolarHBondContact O-CB 3.34Å; G206-A209 PolarHBondContact O-N 3.2Å
207	P	90	Very high	87.4	Confident	107 Å²	107	102 Å²	102	70%	0.695	52%	0.515	S	S	*	.	G	3₁₀ helix	trans	-64.2	-18.2	174.1	-23.3	34.8	0	0	0	115.4	A209	P207-A209 VanDerWaalsContact C-N 3.29Å; P207-A209 PolarHBondContact O-N 3.33Å
208	W	87.4	Confident	87.3	Confident	198 Å²	198	102.3 Å²	102.3	75%	0.75	53%	0.526	S	S	*	.	G	3₁₀ helix	trans	-87.4	6.8	-179.5	-56.3	-87.4	0	0	0	113.7	F204 K205 G206 P210	F204-W208 HydrophobicContact CE1-CZ3 4.19Å; K205-W208 CarbonylContact O-C 3.46Å; K205-W208 WeakPolarHBondContact O-CA 3.3Å; K205-W208 WeakPolarHBondContact O-CB 3.35Å; K205-W208 PolarHBondContact O-N 3.45Å; G206-W208 PolarHBondContact O-N 3.39Å; W208-P210 VanDerWaalsContact O-CD 3.31Å; W208-P210 WeakPolarHBondContact O-CD 3.45Å; W208-P210 VanDerWaalsContact O-N 3.13Å
209	A	89.2	Confident	87.3	Confident	10 Å²	10	104.9 Å²	104.9	8%	0.083	53%	0.528	C	S	.	.			trans	-53.1	113.4	174.5	0	0	0	0	0	111.6	R192 L193 K205 G206 P207	R192-A209 HydrophobicContact CB-CB 4.23Å; L193-A209 WeakPolarHBondContact O-CB 3.45Å; K205-A209 HydrophobicContact CB-CB 3.98Å; K205-A209 PolarHBondContact O-N 3.48Å; G206-A209 WeakPolarHBondContact O-CB 3.34Å; G206-A209 PolarHBondContact O-N 3.2Å; P207-A209 VanDerWaalsContact C-N 3.29Å; P207-A209 PolarHBondContact O-N 3.33Å
210	P	91	Very high	87.4	Confident	24 Å²	24	98 Å²	98	16%	0.156	50%	0.503	C	S	.	.			trans	-65.6	160.4	173.4	30.1	-34.2	0	0	0	109.8	L193 W208	L193-P210 HydrophobicContact CD1-CG 4.21Å; L193-P210 PolarHBondContact N-O 2.81Å; L193-P210 VanDerWaalsContact N-O 3.11Å; W208-P210 VanDerWaalsContact O-CD 3.31Å; W208-P210 WeakPolarHBondContact O-CD 3.45Å; W208-P210 VanDerWaalsContact O-N 3.13Å
211	Y	91.7	Very high	87.5	Confident	69 Å²	69	100.7 Å²	100.7	27%	0.271	52%	0.518	S	S	.	.	B	Isolated β-bridge	trans	-72	150.5	170.8	-60.1	-82.1	0	0	0	110.5	R190 K191 R192 D213 E214	R190-Y211 HydrophobicContact CB-CD1 3.54Å; R190-Y211 HydrophobicContact CB-CE1 3.72Å; R190-Y211 HydrophobicContact CB-CG 4.46Å; K191-Y211 WeakPolarHBondContact O-CA 3.31Å; R192-Y211 HydrophobicContact CG-CD1 3.51Å; R192-Y211 HydrophobicContact CG-CE1 3.61Å; R192-Y211 HydrophobicContact CG-CG 4.34Å; R192-Y211 VanDerWaalsContact NE-CE1 3.32Å; R192-Y211 PolarHBondContact NH2-OH 3.07Å; Y211-D213 WeakPolarHBondContact CB-OD1 3.29Å; Y211-D213 PolarHBondContact O-N 3.32Å; Y211-E214 PolarHBondContact N-OE2 3.44Å; Y211-E214 WeakPolarHBondContact O-CB 3.08Å; Y211-E214 PolarHBondContact O-N 3.42Å; Y211-E214 VanDerWaalsContact O-N 3.13Å
212	D	87.9	Confident	87.9	Confident	86 Å²	86	97.4 Å²	97.4	46%	0.46	51%	0.507	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-26	-178.8	-59.6	-3.9	0	0	0	111.8	K191 L193	K191-D212 WeakPolarHBondContact CB-OD2 3.32Å; K191-D212 PolarHBondContact O-N 3.42Å; K191-D212 VanDerWaalsContact O-N 3.08Å; L193-D212 WeakPolarHBondContact CD2-OD1 3.25Å; L193-D212 WeakPolarHBondContact CG-OD1 3.32Å; L193-D212 PolarHBondContact N-OD1 2.93Å
213	D	87.9	Confident	88.3	Confident	99 Å²	99	95.7 Å²	95.7	53%	0.529	50%	0.499	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96	6.6	-180	61.2	-16.7	0	0	0	113.6	R190 Y211	R190-D213 IonicContact CZ-OD1 2.88Å; R190-D213 IonicContact CZ-OD2 2.84Å; R190-D213 IonicContact NE-OD1 3.43Å; R190-D213 PolarHBondContact NE-OD1 3.21Å; R190-D213 IonicContact NE-OD2 3.75Å; R190-D213 PolarHBondContact NE-OD2 3.26Å; R190-D213 VanDerWaalsContact NE-OD2 3.11Å; R190-D213 IonicContact NH2-OD1 2.71Å; R190-D213 PolarHBondContact NH2-OD1 2.76Å; R190-D213 IonicContact NH2-OD2 2.75Å; R190-D213 PolarHBondContact NH2-OD2 2.84Å; R190-D213 VanDerWaalsContact NH2-OD2 3.15Å; Y211-D213 WeakPolarHBondContact CB-OD1 3.29Å; Y211-D213 PolarHBondContact O-N 3.32Å
214	E	88	Confident	88.7	Confident	92 Å²	92	93.9 Å²	93.9	43%	0.43	49%	0.491	S	S	.	.			trans	-89.8	115.4	-176	-170.3	-176.8	163.1	0	0	112.5	Y211	Y211-E214 PolarHBondContact N-OE2 3.44Å; Y211-E214 WeakPolarHBondContact O-CB 3.08Å; Y211-E214 PolarHBondContact O-N 3.42Å; Y211-E214 VanDerWaalsContact O-N 3.13Å
215	V	85.4	Confident	88.8	Confident	118 Å²	118	93.6 Å²	93.6	72%	0.715	49%	0.492	S	S	*	.			trans	-96.6	115.1	171.3	-175.6	0	0	0	0	109.3	T217	V215-T217 VanDerWaalsContact C-N 3.34Å; V215-T217 WeakPolarHBondContact CG1-O 3.41Å; V215-T217 PolarHBondContact O-N 3.39Å
216	R	83.7	Confident	89.2	Confident	189 Å²	189	97 Å²	97	71%	0.713	51%	0.506	S	S	*	.	S	Bend	trans	-75.7	-19.9	-176.3	-72.1	-174.7	173	177.6	-1.4	114.7
217	T	85.8	Confident	89.5	Confident	106 Å²	106	103 Å²	103	65%	0.65	53%	0.53	S	S	*	.			trans	-121.3	106.5	-178.1	49.4	0	0	0	0	109.7	V215 I219	V215-T217 VanDerWaalsContact C-N 3.34Å; V215-T217 WeakPolarHBondContact CG1-O 3.41Å; V215-T217 PolarHBondContact O-N 3.39Å; T217-I219 PolarHBondContact O-N 2.93Å
218	S	84.8	Confident	89.7	Confident	117 Å²	117	102.4 Å²	102.4	82%	0.818	52%	0.52	S	S	*	.			trans	-90.1	97	172.7	45.2	0	0	0	0	109.5
219	I	87.9	Confident	90.1	Very high	129 Å²	129	98 Å²	98	66%	0.662	51%	0.508	S	S	*	.	P	Polyproline II helix	trans	-78.6	130.8	168	-58.3	173.1	0	0	0	106.7	T217 M225	T217-I219 PolarHBondContact O-N 2.93Å; I219-M225 HydrophobicContact CG2-CE 4.31Å; I219-M225 HydrophobicContact CG2-SD 3.86Å
220	P	89.3	Confident	90.3	Very high	59 Å²	59	100.7 Å²	100.7	38%	0.383	52%	0.521	S	S	.	.	P	Polyproline II helix	trans	-60.9	152.3	177.9	-18.1	29.8	0	0	0	111.6	T224 M225 L228	P220-T224 WeakPolarHBondContact CB-OG1 3.22Å; P220-M225 HydrophobicContact CB-CG 3.93Å; P220-M225 HydrophobicContact CG-CG 4.27Å; P220-M225 WeakPolarHBondContact O-CG 3.41Å; P220-L228 HydrophobicContact CG-CD1 4.4Å
221	D	89.7	Confident	90.5	Very high	114 Å²	114	103 Å²	103	61%	0.61	53%	0.532	S	S	*	.	P	Polyproline II helix	trans	-53.8	148.7	174.7	-60	-43.2	0	0	0	111.2	E223 T224 M225	D221-E223 PolarHBondContact O-N 3.35Å; D221-T224 HydrophobicContact CB-CG2 4.29Å; D221-T224 PolarHBondContact N-OG1 2.82Å; D221-T224 WeakPolarHBondContact O-CA 3.34Å; D221-T224 PolarHBondContact O-N 3.04Å; D221-T224 PolarHBondContact O-OG1 3.02Å; D221-M225 PolarHBondContact O-N 3.31Å
222	P	93.3	Very high	90.7	Very high	99 Å²	99	104.3 Å²	104.3	64%	0.643	54%	0.542	S	S	*	.	H	α-helix	trans	-54	-33.1	-176.4	20.2	-33.1	0	0	0	113.5	K226	P222-K226 PolarHBondContact O-N 3.47Å; P222-K226 VanDerWaalsContact O-N 3.09Å
223	E	92.9	Very high	90.9	Very high	142 Å²	142	105 Å²	105	66%	0.664	54%	0.541	S	S	*	.	H	α-helix	trans	-67.8	-43.3	174.4	-60.8	-170.2	175.1	0	0	112.9	D221 K226 K227	D221-E223 PolarHBondContact O-N 3.35Å; E223-K226 PolarHBondContact O-N 3.14Å; E223-K227 WeakPolarHBondContact O-CG 3.07Å; E223-K227 PolarHBondContact O-N 3.17Å
224	T	93	Very high	91.2	Very high	49 Å²	49	107.3 Å²	107.3	30%	0.301	55%	0.547	S	S	.	.	H	α-helix	trans	-69.7	-36.7	178.7	65.2	0	0	0	0	111.3	P220 D221 K226 K227 L228	P220-T224 WeakPolarHBondContact CB-OG1 3.22Å; D221-T224 HydrophobicContact CB-CG2 4.29Å; D221-T224 PolarHBondContact N-OG1 2.82Å; D221-T224 WeakPolarHBondContact O-CA 3.34Å; D221-T224 PolarHBondContact O-N 3.04Å; D221-T224 PolarHBondContact O-OG1 3.02Å; T224-K226 PolarHBondContact O-N 3.2Å; T224-K227 PolarHBondContact O-N 3.33Å; T224-L228 WeakPolarHBondContact O-CG 3.4Å; T224-L228 PolarHBondContact O-N 3.33Å
225	M	92.9	Very high	91.4	Very high	80 Å²	80	108.9 Å²	108.9	39%	0.394	55%	0.549	S	S	.	.	H	α-helix	trans	-59.2	-46	170.5	-74.7	-156.1	-67.2	0	0	111.5	I219 P220 D221 K227 L228 E229	I219-M225 HydrophobicContact CG2-CE 4.31Å; I219-M225 HydrophobicContact CG2-SD 3.86Å; P220-M225 HydrophobicContact CB-CG 3.93Å; P220-M225 HydrophobicContact CG-CG 4.27Å; P220-M225 WeakPolarHBondContact O-CG 3.41Å; D221-M225 PolarHBondContact O-N 3.31Å; M225-K227 PolarHBondContact O-N 3.03Å; M225-L228 PolarHBondContact O-N 3.32Å; M225-E229 PolarHBondContact O-N 3.34Å
226	K	94.4	Very high	91.8	Very high	139 Å²	139	110.7 Å²	110.7	60%	0.604	55%	0.547	S	S	*	.	H	α-helix	trans	-61	-42.5	176.4	-170.8	178.5	179	-178	0	111.9	P222 E223 T224 L228 E229 D230	P222-K226 PolarHBondContact O-N 3.47Å; P222-K226 VanDerWaalsContact O-N 3.09Å; E223-K226 PolarHBondContact O-N 3.14Å; T224-K226 PolarHBondContact O-N 3.2Å; K226-L228 PolarHBondContact O-N 2.68Å; K226-E229 PolarHBondContact O-N 3.49Å; K226-D230 PolarHBondContact O-N 3.32Å
227	K	94.3	Very high	92.1	Very high	136 Å²	136	108.3 Å²	108.3	59%	0.591	54%	0.542	S	S	*	.	H	α-helix	trans	-59.2	-43.9	174.1	-72.2	173.9	-177.4	173.6	0	111.6	E223 T224 M225 D230 I231	E223-K227 WeakPolarHBondContact O-CG 3.07Å; E223-K227 PolarHBondContact O-N 3.17Å; T224-K227 PolarHBondContact O-N 3.33Å; M225-K227 PolarHBondContact O-N 3.03Å; K227-D230 PolarHBondContact O-N 2.84Å; K227-I231 WeakPolarHBondContact O-CG1 3.5Å; K227-I231 PolarHBondContact O-N 3Å; K227-I231 VanDerWaalsContact O-N 3.1Å
228	L	93.6	Very high	92.2	Very high	95 Å²	95	109.1 Å²	109.1	50%	0.497	54%	0.542	S	S	.	.	H	α-helix	trans	-64.4	-43.3	177	-73.4	171.3	0	0	0	112.2	P220 T224 M225 K226 D230 I231 L232	P220-L228 HydrophobicContact CG-CD1 4.4Å; T224-L228 WeakPolarHBondContact O-CG 3.4Å; T224-L228 PolarHBondContact O-N 3.33Å; M225-L228 PolarHBondContact O-N 3.32Å; K226-L228 PolarHBondContact O-N 2.68Å; L228-D230 VanDerWaalsContact C-N 3.29Å; L228-D230 PolarHBondContact O-N 2.79Å; L228-I231 PolarHBondContact O-N 3.42Å; L228-L232 WeakPolarHBondContact O-CG 3.36Å; L228-L232 PolarHBondContact O-N 3.28Å
229	E	94.9	Very high	92.1	Very high	105 Å²	105	107.4 Å²	107.4	49%	0.491	53%	0.526	S	S	.	.	H	α-helix	trans	-59	-41.6	174.3	-75.8	-171	-176.2	0	0	112.2	M225 K226 I231 L232 K233	M225-E229 PolarHBondContact O-N 3.34Å; K226-E229 PolarHBondContact O-N 3.49Å; E229-I231 VanDerWaalsContact C-N 3.34Å; E229-I231 PolarHBondContact O-N 3.48Å; E229-L232 PolarHBondContact O-N 3.2Å; E229-K233 WeakPolarHBondContact O-CB 3.44Å; E229-K233 VanDerWaalsContact O-CG 3.32Å; E229-K233 WeakPolarHBondContact O-CG 3.48Å; E229-K233 PolarHBondContact O-N 3.33Å; E229-K233 IonicContact OE2-NZ 3.39Å; E229-K233 PolarHBondContact OE2-NZ 2.72Å
230	D	94.8	Very high	91.9	Very high	68 Å²	68	107.6 Å²	107.6	36%	0.364	52%	0.522	S	S	.	.	H	α-helix	trans	-66.6	-35.8	179	-73.1	-17.7	0	0	0	112	K226 K227 L228 K233 K234	K226-D230 PolarHBondContact O-N 3.32Å; K227-D230 PolarHBondContact O-N 2.84Å; L228-D230 VanDerWaalsContact C-N 3.29Å; L228-D230 PolarHBondContact O-N 2.79Å; D230-K233 PolarHBondContact O-N 2.91Å; D230-K233 IonicContact OD1-NZ 3.48Å; D230-K234 WeakPolarHBondContact O-CG 3.45Å; D230-K234 PolarHBondContact O-N 3.26Å
231	I	94.8	Very high	91.4	Very high	73 Å²	73	110.3 Å²	110.3	37%	0.374	53%	0.531	S	S	.	.	H	α-helix	trans	-62.8	-45	171.2	-67.4	166.1	0	0	0	110.7	K227 L228 E229 K234 R235	K227-I231 WeakPolarHBondContact O-CG1 3.5Å; K227-I231 PolarHBondContact O-N 3Å; K227-I231 VanDerWaalsContact O-N 3.1Å; L228-I231 PolarHBondContact O-N 3.42Å; E229-I231 VanDerWaalsContact C-N 3.34Å; E229-I231 PolarHBondContact O-N 3.48Å; I231-K234 PolarHBondContact O-N 3.15Å; I231-R235 WeakPolarHBondContact O-CG 3.5Å; I231-R235 PolarHBondContact O-N 3.23Å
232	L	94.8	Very high	90.6	Very high	95 Å²	95	107.3 Å²	107.3	50%	0.497	52%	0.522	S	S	.	.	H	α-helix	trans	-64.6	-40.9	177.7	-69	176.4	0	0	0	111.9	L228 E229 R235 K236	L228-L232 WeakPolarHBondContact O-CG 3.36Å; L228-L232 PolarHBondContact O-N 3.28Å; E229-L232 PolarHBondContact O-N 3.2Å; L232-R235 PolarHBondContact O-N 3.18Å; L232-K236 WeakPolarHBondContact O-CG 3.47Å; L232-K236 PolarHBondContact O-N 2.78Å
233	K	94	Very high	89.6	Confident	100 Å²	100	110.5 Å²	110.5	44%	0.435	52%	0.521	S	S	.	.	H	α-helix	trans	-60.4	-44.2	173.7	-73.6	168.8	-166.7	155.3	0	111	E229 D230 K236 K237	E229-K233 WeakPolarHBondContact O-CB 3.44Å; E229-K233 VanDerWaalsContact O-CG 3.32Å; E229-K233 WeakPolarHBondContact O-CG 3.48Å; E229-K233 PolarHBondContact O-N 3.33Å; E229-K233 IonicContact OE2-NZ 3.39Å; E229-K233 PolarHBondContact OE2-NZ 2.72Å; D230-K233 PolarHBondContact O-N 2.91Å; D230-K233 IonicContact OD1-NZ 3.48Å; K233-K236 PolarHBondContact O-N 3.42Å; K233-K237 WeakPolarHBondContact O-CB 3.21Å; K233-K237 WeakPolarHBondContact O-CG 3.2Å; K233-K237 PolarHBondContact O-N 2.84Å
234	K	93.7	Very high	88.5	Confident	148 Å²	148	107.8 Å²	107.8	64%	0.643	51%	0.511	S	S	*	.	H	α-helix	trans	-60.1	-45.8	175.4	-74.6	173.6	-177.6	177.5	0	111.8	D230 I231 K237 L238	D230-K234 WeakPolarHBondContact O-CG 3.45Å; D230-K234 PolarHBondContact O-N 3.26Å; I231-K234 PolarHBondContact O-N 3.15Å; K234-K237 PolarHBondContact O-N 3.39Å; K234-L238 PolarHBondContact O-N 2.77Å
235	R	92.3	Very high	87	Confident	125 Å²	125	110.3 Å²	110.3	47%	0.472	52%	0.52	S	S	.	.	H	α-helix	trans	-61.1	-45.1	176.2	-71.2	-178.7	-177.7	175.6	3.1	112.3	I231 L232 L238 V239	I231-R235 WeakPolarHBondContact O-CG 3.5Å; I231-R235 PolarHBondContact O-N 3.23Å; L232-R235 PolarHBondContact O-N 3.18Å; R235-L238 PolarHBondContact O-N 3.45Å; R235-V239 PolarHBondContact O-N 2.89Å
236	K	93	Very high	85.5	Confident	157 Å²	157	110.7 Å²	110.7	68%	0.683	52%	0.521	S	S	*	.	H	α-helix	trans	-64.3	-39.2	177.2	-73	-179.6	-179.8	-179.6	0	112.4	L232 K233 L238 V239 K240	L232-K236 WeakPolarHBondContact O-CG 3.47Å; L232-K236 PolarHBondContact O-N 2.78Å; K233-K236 PolarHBondContact O-N 3.42Å; K236-L238 PolarHBondContact O-N 2.74Å; K236-V239 PolarHBondContact O-N 2.79Å; K236-K240 PolarHBondContact O-N 3.4Å
237	K	91	Very high	84.1	Confident	139 Å²	139	108.8 Å²	108.8	60%	0.604	52%	0.517	S	S	*	.	H	α-helix	trans	-60.8	-41.4	176.5	-78.9	-179	179.3	-175.6	0	112.2	K233 K234 V239 K240 M241	K233-K237 WeakPolarHBondContact O-CB 3.21Å; K233-K237 WeakPolarHBondContact O-CG 3.2Å; K233-K237 PolarHBondContact O-N 2.84Å; K234-K237 PolarHBondContact O-N 3.39Å; K237-V239 VanDerWaalsContact C-N 3.35Å; K237-V239 PolarHBondContact O-N 2.66Å; K237-K240 PolarHBondContact O-N 3.02Å; K237-M241 WeakPolarHBondContact O-CB 3.48Å; K237-M241 VanDerWaalsContact O-CG 3.31Å; K237-M241 WeakPolarHBondContact O-CG 3.35Å; K237-M241 PolarHBondContact O-N 2.89Å
238	L	86.2	Confident	82.7	Confident	123 Å²	123	104.6 Å²	104.6	64%	0.644	51%	0.508	S	S	*	.	H	α-helix	trans	-60.7	-42.8	176.9	-68.9	171.4	0	0	0	112.2	K234 R235 K236 A242	K234-L238 PolarHBondContact O-N 2.77Å; R235-L238 PolarHBondContact O-N 3.45Å; K236-L238 PolarHBondContact O-N 2.74Å; L238-A242 PolarHBondContact O-N 2.95Å; L238-A242 VanDerWaalsContact O-N 3.14Å
239	V	84.2	Confident	81.7	Confident	80 Å²	80	105.9 Å²	105.9	49%	0.485	52%	0.52	S	S	.	.	H	α-helix	trans	-66.4	-39.4	175.9	178.3	0	0	0	0	111.4	R235 K236 K237 A242 R243	R235-V239 PolarHBondContact O-N 2.89Å; K236-V239 PolarHBondContact O-N 2.79Å; K237-V239 VanDerWaalsContact C-N 3.35Å; K237-V239 PolarHBondContact O-N 2.66Å; V239-A242 PolarHBondContact O-N 3.04Å; V239-R243 PolarHBondContact O-N 2.75Å
240	K	84.2	Confident	81	Confident	133 Å²	133	103.2 Å²	103.2	58%	0.578	51%	0.507	S	S	*	.	H	α-helix	trans	-65.6	-46	176.9	-168.4	-174.6	174.1	-176.5	0	111.5	K236 K237 A242 R243 D244	K236-K240 PolarHBondContact O-N 3.4Å; K237-K240 PolarHBondContact O-N 3.02Å; K240-A242 VanDerWaalsContact C-N 3.28Å; K240-A242 PolarHBondContact O-N 2.84Å; K240-R243 PolarHBondContact O-N 3.12Å; K240-D244 WeakPolarHBondContact CE-OD2 3.17Å; K240-D244 PolarHBondContact O-N 2.78Å
241	M	77.5	Confident	80.5	Confident	116 Å²	116	103.5 Å²	103.5	57%	0.571	51%	0.511	S	S	*	.	H	α-helix	trans	-56	-43.2	176.3	-75.7	172.3	157.1	0	0	111.5	K237 R243 D244 E245	K237-M241 WeakPolarHBondContact O-CB 3.48Å; K237-M241 VanDerWaalsContact O-CG 3.31Å; K237-M241 WeakPolarHBondContact O-CG 3.35Å; K237-M241 PolarHBondContact O-N 2.89Å; M241-R243 VanDerWaalsContact C-N 3.28Å; M241-R243 PolarHBondContact O-N 2.86Å; M241-D244 PolarHBondContact O-N 2.72Å; M241-E245 WeakPolarHBondContact O-CB 3.45Å; M241-E245 VanDerWaalsContact O-CG 3.29Å; M241-E245 WeakPolarHBondContact O-CG 3.2Å; M241-E245 PolarHBondContact O-N 2.83Å
242	A	73.8	Confident	80	Confident	52 Å²	52	101.4 Å²	101.4	43%	0.43	50%	0.503	S	S	.	.	H	α-helix	trans	-61.4	-33.5	176.7	0	0	0	0	0	113.6	L238 V239 K240	L238-A242 PolarHBondContact O-N 2.95Å; L238-A242 VanDerWaalsContact O-N 3.14Å; V239-A242 PolarHBondContact O-N 3.04Å; K240-A242 VanDerWaalsContact C-N 3.28Å; K240-A242 PolarHBondContact O-N 2.84Å
243	R	72.4	Confident	79.5	Confident	166 Å²	166	99.9 Å²	99.9	63%	0.626	50%	0.498	S	S	*	.	H	α-helix	trans	-79.4	-41.3	175.6	-68.6	179.6	-177.9	175.7	-0.3	112.5	V239 K240 M241 E245 E246	V239-R243 PolarHBondContact O-N 2.75Å; K240-R243 PolarHBondContact O-N 3.12Å; M241-R243 VanDerWaalsContact C-N 3.28Å; M241-R243 PolarHBondContact O-N 2.86Å; R243-E245 PolarHBondContact O-N 2.67Å; R243-E246 WeakPolarHBondContact O-CB 3.5Å; R243-E246 PolarHBondContact O-N 3.03Å
244	D	68.5	Low	78.9	Confident	85 Å²	85	97.8 Å²	97.8	46%	0.455	49%	0.491	S	S	.	.	H	α-helix	trans	-63.9	-34.4	178	-68	-15	0	0	0	110.3	K240 M241 E246 N247	K240-D244 WeakPolarHBondContact CE-OD2 3.17Å; K240-D244 PolarHBondContact O-N 2.78Å; M241-D244 PolarHBondContact O-N 2.72Å; D244-E246 VanDerWaalsContact C-N 3.26Å; D244-E246 PolarHBondContact O-N 2.78Å; D244-N247 CarbonylContact O-C 3.3Å; D244-N247 PolarHBondContact O-N 3.27Å
245	E	61.9	Low	78.1	Confident	102 Å²	102	94.9 Å²	94.9	48%	0.477	48%	0.48	S	S	.	.	G	3₁₀ helix	trans	-63.4	-24.7	171.1	-78.9	179.4	-167.8	0	0	114.2	M241 R243 N247 R347	M241-E245 WeakPolarHBondContact O-CB 3.45Å; M241-E245 VanDerWaalsContact O-CG 3.29Å; M241-E245 WeakPolarHBondContact O-CG 3.2Å; M241-E245 PolarHBondContact O-N 2.83Å; R243-E245 PolarHBondContact O-N 2.67Å; E245-N247 PolarHBondContact O-N 3.42Å; E245-R347 IonicContact OE2-CZ 2.75Å; E245-R347 IonicContact OE2-NH1 3.15Å; E245-R347 IonicContact OE2-NH2 3.42Å; E245-R347 PolarHBondContact OE2-NH2 2.84Å
246	E	62	Low	76.8	Confident	88 Å²	88	91.6 Å²	91.6	41%	0.411	48%	0.476	S	S	.	.	G	3₁₀ helix	trans	-68.7	-26.7	172.8	-61.7	-174.8	140.3	0	0	111.1	R243 D244 A248 R369	R243-E246 WeakPolarHBondContact O-CB 3.5Å; R243-E246 PolarHBondContact O-N 3.03Å; D244-E246 VanDerWaalsContact C-N 3.26Å; D244-E246 PolarHBondContact O-N 2.78Å; E246-A248 PolarHBondContact O-N 3Å; E246-R369 IonicContact OE1-NH2 3.69Å; E246-R369 PolarHBondContact OE1-NH2 2.86Å
247	N	65	Low	75.1	Confident	98 Å²	98	89.3 Å²	89.3	52%	0.524	48%	0.475	S	S	.	.	G	3₁₀ helix	trans	-100.4	45	179.2	-67.5	-34.1	0	0	0	112.2	D244 E245 T249	D244-N247 CarbonylContact O-C 3.3Å; D244-N247 PolarHBondContact O-N 3.27Å; E245-N247 PolarHBondContact O-N 3.42Å; N247-T249 PolarHBondContact O-N 3.15Å
248	A	64.7	Low	73.3	Confident	48 Å²	48	88.6 Å²	88.6	40%	0.397	48%	0.477	S	S	.	.	P	Polyproline II helix	trans	-55.3	137.7	176	0	0	0	0	0	111.5	E246 E250	E246-A248 PolarHBondContact O-N 3Å; A248-E250 PolarHBondContact O-N 2.96Å
249	T	71.7	Confident	72	Confident	123 Å²	123	88 Å²	88	76%	0.755	48%	0.484	S	S	*	.	P	Polyproline II helix	trans	-62.9	122.9	-179.5	46.5	0	0	0	0	110.8	N247	N247-T249 PolarHBondContact O-N 3.15Å
250	E	80.5	Confident	71.1	Confident	49 Å²	49	89.2 Å²	89.2	23%	0.229	49%	0.487	C	S	.	.	P	Polyproline II helix	trans	-77.8	128	177.5	-67.5	151.4	170.1	0	0	108.8	A248 V344 K372 W374 C381 R384	A248-E250 PolarHBondContact O-N 2.96Å; E250-V344 WeakPolarHBondContact CA-O 3.33Å; E250-K372 HydrophobicContact CG-CD 4.45Å; E250-K372 WeakPolarHBondContact OE1-CD 3.21Å; E250-K372 VanDerWaalsContact OE1-CE 3.22Å; E250-K372 WeakPolarHBondContact OE1-CE 3.35Å; E250-K372 IonicContact OE1-NZ 3.46Å; E250-K372 PolarHBondContact OE1-NZ 3.07Å; E250-W374 HydrophobicContact CB-CH2 4.03Å; E250-W374 HydrophobicContact CB-CZ3 4.35Å; E250-W374 HydrophobicContact CG-CH2 4.13Å; E250-C381 HydrophobicContact CB-CB 4.13Å; E250-C381 HydrophobicContact CG-CB 4.18Å; E250-C381 PolarHBondContact OE1-SG 3.37Å; E250-C381 VanDerWaalsContact OE1-SG 3.42Å; E250-C381 WeakPolarHBondContact OE2-CB 3.5Å; E250-C381 PolarHBondContact OE2-SG 2.94Å; E250-C381 VanDerWaalsContact OE2-SG 3.33Å; E250-R384 IonicContact OE1-NE 3.11Å; E250-R384 IonicContact OE2-NH2 3.49Å
251	T	84.4	Confident	70.8	Confident	73 Å²	73	85.5 Å²	85.5	45%	0.448	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	152.8	179.1	52.7	0	0	0	0	109.4	V344	T251-V344 PolarHBondContact N-O 2.9Å; T251-V344 CarbonylContact O-C 3.48Å; T251-V344 WeakPolarHBondContact O-CA 3.29Å; T251-V344 PolarHBondContact O-N 2.94Å
252	S	83.4	Confident	71.1	Confident	29 Å²	29	86.8 Å²	86.8	20%	0.203	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	139.9	169.5	58.3	0	0	0	0	109.7	R341 T342 G379	S252-R341 PolarHBondContact OG-NE 3.08Å; S252-R341 PolarHBondContact OG-NH2 2.88Å; S252-T342 CarbonylContact C-O 3.52Å; S252-T342 VanDerWaalsContact CA-O 3.23Å; S252-T342 WeakPolarHBondContact CA-O 3.36Å; S252-T342 WeakPolarHBondContact CB-O 3.29Å; S252-G379 VanDerWaalsContact CB-O 3.29Å; S252-G379 WeakPolarHBondContact CB-O 3.43Å; S252-G379 VanDerWaalsContact OG-C 3.24Å; S252-G379 VanDerWaalsContact OG-CA 3.29Å; S252-G379 WeakPolarHBondContact OG-CA 3.47Å; S252-G379 PolarHBondContact OG-O 2.88Å
253	T	84.2	Confident	71.6	Confident	64 Å²	64	87 Å²	87	39%	0.393	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	117	-179.9	56.1	0	0	0	0	108.3	H255 R341 T342	T253-H255 PolarHBondContact OG1-CE1 3.26Å; T253-H255 PolarHBondContact OG1-NE2 3.13Å; T253-H255 VanDerWaalsContact OG1-NE2 3.13Å; T253-R341 WeakPolarHBondContact O-CA 3.47Å; T253-T342 PolarHBondContact N-O 3.41Å; T253-T342 PolarHBondContact O-N 3.14Å
254	L	83.2	Confident	72.2	Confident	55 Å²	55	88.6 Å²	88.6	29%	0.288	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	122.8	170.8	-158.3	170.7	0	0	0	107.5	S256 P261	L254-S256 VanDerWaalsContact CD2-OG 3.31Å; L254-S256 WeakPolarHBondContact CD2-OG 3.43Å; L254-P261 HydrophobicContact CD1-CB 3.74Å
255	H	76.8	Confident	73.1	Confident	87 Å²	87	90 Å²	90	40%	0.403	48%	0.482	S	S	.	.			trans	-102.1	56.4	179.3	-60.6	-63.8	0	0	0	109.6	T253 C339 I340 T342	T253-H255 PolarHBondContact OG1-CE1 3.26Å; T253-H255 PolarHBondContact OG1-NE2 3.13Å; T253-H255 VanDerWaalsContact OG1-NE2 3.13Å; H255-C339 WeakPolarHBondContact CB-O 3.35Å; H255-I340 PolarHBondContact N-O 3.41Å; H255-T342 PolarHBondContact CD2-OG1 3.48Å; H255-T342 PolarHBondContact NE2-OG1 3.26Å
256	S	64.2	Low	74.2	Confident	56 Å²	56	87.5 Å²	87.5	39%	0.392	48%	0.483	S	S	.	.			trans	-79.7	134.4	171.1	54.1	0	0	0	0	108.5	L254 L258	L254-S256 VanDerWaalsContact CD2-OG 3.31Å; L254-S256 WeakPolarHBondContact CD2-OG 3.43Å; S256-L258 WeakPolarHBondContact CB-O 3.32Å; S256-L258 PolarHBondContact OG-O 3.11Å
257	T	57.4	Low	75.4	Confident	109 Å²	109	85.6 Å²	85.6	67%	0.669	47%	0.472	S	S	*	.	S	Bend	trans	-78	-17.5	172.5	-15.9	0	0	0	0	111.1	R338	T257-R338 PolarHBondContact OG1-NH1 3.3Å
258	L	53.7	Low	76.5	Confident	124 Å²	124	82 Å²	82	65%	0.649	46%	0.455	S	S	*	.	S	Bend	trans	-96.9	144.4	168.8	-68.8	108.5	0	0	0	109	S256 D260	S256-L258 WeakPolarHBondContact CB-O 3.32Å; S256-L258 PolarHBondContact OG-O 3.11Å; L258-D260 PolarHBondContact O-N 2.71Å; L258-D260 VanDerWaalsContact O-N 3.11Å
259	S	58.3	Low	77.5	Confident	112 Å²	112	81.9 Å²	81.9	78%	0.783	45%	0.446	S	S	*	.	S	Bend	trans	-54.2	-28.3	176.1	53.1	0	0	0	0	112.5
260	D	65.7	Low	78.3	Confident	104 Å²	104	77 Å²	77	56%	0.556	41%	0.414	S	S	*	.	S	Bend	trans	-103.6	134.4	-170.6	-57.3	-8.4	0	0	0	110	L258 Y262	L258-D260 PolarHBondContact O-N 2.71Å; L258-D260 VanDerWaalsContact O-N 3.11Å; D260-Y262 PolarHBondContact O-N 3.34Å
261	P	77.9	Confident	78.6	Confident	56 Å²	56	78.9 Å²	78.9	36%	0.364	42%	0.423	S	S	.	.	S	Bend	trans	-77.8	-5.6	-180	31.3	-34.4	0	0	0	113.4	L254	L254-P261 HydrophobicContact CD1-CB 3.74Å
262	Y	83.8	Confident	78.8	Confident	142 Å²	142	76.4 Å²	76.4	56%	0.557	41%	0.411	S	S	*	.	S	Bend	trans	-109	150.6	-176.4	-59.5	-74.4	0	0	0	111	D260 G266 R267	D260-Y262 PolarHBondContact O-N 3.34Å; Y262-G266 WeakPolarHBondContact CD1-O 3.47Å; Y262-R267 CarbonylContact C-O 3.53Å; Y262-R267 WeakPolarHBondContact CA-O 3.25Å
263	D	83.5	Confident	79	Confident	58 Å²	58	76.4 Å²	76.4	31%	0.31	41%	0.41	S	S	.	.			trans	-72.3	179.7	170.8	81.9	-10.6	0	0	0	111.7	Q265 G266 R267	D263-Q265 PolarHBondContact O-N 3.13Å; D263-Q265 VanDerWaalsContact O-N 3.07Å; D263-Q265 VanDerWaalsContact OD1-C 3.3Å; D263-Q265 VanDerWaalsContact OD1-CA 3.32Å; D263-Q265 WeakPolarHBondContact OD1-CA 3.39Å; D263-Q265 PolarHBondContact OD1-N 3.4Å; D263-G266 PolarHBondContact O-N 2.99Å; D263-G266 PolarHBondContact OD1-N 3.23Å; D263-R267 PolarHBondContact N-O 3.45Å; D263-R267 WeakPolarHBondContact OD1-CA 3.33Å; D263-R267 WeakPolarHBondContact OD1-CB 3.47Å; D263-R267 PolarHBondContact OD1-N 3.27Å; D263-R267 IonicContact OD1-NE 3.08Å; D263-R267 IonicContact OD2-CZ 3.66Å; D263-R267 IonicContact OD2-NE 3.08Å; D263-R267 PolarHBondContact OD2-NE 3.02Å; D263-R267 IonicContact OD2-NH2 3.72Å; D263-R267 PolarHBondContact OD2-NH2 3.01Å; D263-R267 VanDerWaalsContact OD2-NH2 3.11Å
264	Y	85.2	Confident	79.1	Confident	199 Å²	199	79.9 Å²	79.9	78%	0.78	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-12.4	178.3	67.6	-82.6	0	0	0	114.4
265	Q	86.8	Confident	79.3	Confident	114 Å²	114	83 Å²	83	53%	0.533	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	4.7	174.4	-56.5	-162.1	-20.7	0	0	112.7	D263 R267	D263-Q265 PolarHBondContact O-N 3.13Å; D263-Q265 VanDerWaalsContact O-N 3.07Å; D263-Q265 VanDerWaalsContact OD1-C 3.3Å; D263-Q265 VanDerWaalsContact OD1-CA 3.32Å; D263-Q265 WeakPolarHBondContact OD1-CA 3.39Å; D263-Q265 PolarHBondContact OD1-N 3.4Å; Q265-R267 VanDerWaalsContact C-N 3.33Å; Q265-R267 HydrophobicContact CB-CG 4.15Å
266	G	85.5	Confident	79.8	Confident	49 Å²	49	80 Å²	80	51%	0.505	43%	0.426	S	S	.	.	S	Bend	trans	78.6	14.7	-177.3	0	0	0	0	0	114.1	Y262 D263	Y262-G266 WeakPolarHBondContact CD1-O 3.47Å; D263-G266 PolarHBondContact O-N 2.99Å; D263-G266 PolarHBondContact OD1-N 3.23Å
267	R	87.3	Confident	80.8	Confident	48 Å²	48	81.6 Å²	81.6	18%	0.181	45%	0.451	C	S	.	.			trans	-89	143.8	179.9	-57.6	177	-79.2	-167.8	-2.8	110.8	Y262 D263 Q265 E271	Y262-R267 CarbonylContact C-O 3.53Å; Y262-R267 WeakPolarHBondContact CA-O 3.25Å; D263-R267 PolarHBondContact N-O 3.45Å; D263-R267 WeakPolarHBondContact OD1-CA 3.33Å; D263-R267 WeakPolarHBondContact OD1-CB 3.47Å; D263-R267 PolarHBondContact OD1-N 3.27Å; D263-R267 IonicContact OD1-NE 3.08Å; D263-R267 IonicContact OD2-CZ 3.66Å; D263-R267 IonicContact OD2-NE 3.08Å; D263-R267 PolarHBondContact OD2-NE 3.02Å; D263-R267 IonicContact OD2-NH2 3.72Å; D263-R267 PolarHBondContact OD2-NH2 3.01Å; D263-R267 VanDerWaalsContact OD2-NH2 3.11Å; Q265-R267 VanDerWaalsContact C-N 3.33Å; Q265-R267 HydrophobicContact CB-CG 4.15Å; R267-E271 HydrophobicContact CB-CB 4.44Å; R267-E271 WeakPolarHBondContact CD-OE1 3.23Å; R267-E271 WeakPolarHBondContact CD-OE2 3.43Å; R267-E271 WeakPolarHBondContact CG-OE2 3.31Å; R267-E271 IonicContact CZ-OE1 2.86Å; R267-E271 IonicContact NE-OE1 3.61Å; R267-E271 IonicContact NH1-OE1 3.63Å; R267-E271 PolarHBondContact NH1-OE1 3.25Å
268	S	87.6	Confident	82.2	Confident	24 Å²	24	79 Å²	79	17%	0.168	44%	0.435	C	S	.	.			trans	-75.8	165.4	173.7	67.7	0	0	0	0	110.3	M270 E271 E377	S268-M270 PolarHBondContact O-N 3.21Å; S268-M270 WeakPolarHBondContact OG-CB 3.42Å; S268-M270 WeakPolarHBondContact OG-CG 3.38Å; S268-M270 PolarHBondContact OG-N 2.86Å; S268-E271 PolarHBondContact O-N 2.92Å; S268-E377 WeakPolarHBondContact CB-OE1 3.45Å; S268-E377 PolarHBondContact OG-OE1 2.79Å
269	F	87.4	Confident	83.7	Confident	45 Å²	45	76.3 Å²	76.3	20%	0.197	43%	0.426	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-2.1	172.5	57.7	-99.4	0	0	0	114.2	H317 L318 L330 I340 T376	F269-H317 PolarHBondContact O-NE2 2.94Å; F269-L318 HydrophobicContact CD2-CD1 3.93Å; F269-L318 HydrophobicContact CE2-CD1 4.43Å; F269-L330 HydrophobicContact CD2-CD2 4.08Å; F269-L330 HydrophobicContact CE2-CD2 3.47Å; F269-L330 VanDerWaalsContact CE2-CD2 3.47Å; F269-L330 HydrophobicContact CZ-CD2 4.29Å; F269-I340 HydrophobicContact CB-CD1 4.31Å; F269-I340 HydrophobicContact CB-CG2 4.33Å; F269-I340 HydrophobicContact CD1-CG2 3.65Å; F269-I340 HydrophobicContact CD2-CD1 4.25Å; F269-I340 HydrophobicContact CD2-CG2 3.86Å; F269-I340 HydrophobicContact CE1-CG2 3.83Å; F269-I340 HydrophobicContact CE2-CG2 4.04Å; F269-I340 HydrophobicContact CG-CD1 4.4Å; F269-I340 HydrophobicContact CG-CG2 3.66Å; F269-I340 HydrophobicContact CZ-CG2 4.02Å; F269-T376 WeakPolarHBondContact CZ-O 3.29Å
270	M	86.9	Confident	85.1	Confident	19 Å²	19	71.6 Å²	71.6	9%	0.094	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-19.5	178.5	-59.3	-66.7	-71.9	0	0	113.3	S268 F312 H317 L318 G359 T376 E377	S268-M270 PolarHBondContact O-N 3.21Å; S268-M270 WeakPolarHBondContact OG-CB 3.42Å; S268-M270 WeakPolarHBondContact OG-CG 3.38Å; S268-M270 PolarHBondContact OG-N 2.86Å; M270-F312 HydrophobicContact CE-CD2 4.45Å; M270-F312 HydrophobicContact CE-CE2 3.27Å; M270-F312 HydrophobicContact CE-CZ 3.51Å; M270-F312 HydrophobicContact SD-CE2 4.09Å; M270-F312 HydrophobicContact SD-CZ 4.49Å; M270-H317 VanDerWaalsContact C-NE2 3.35Å; M270-H317 PolarHBondContact O-CE1 3.23Å; M270-H317 PolarHBondContact O-NE2 3.22Å; M270-H317 VanDerWaalsContact O-NE2 3.14Å; M270-L318 HydrophobicContact SD-CD1 3.92Å; M270-G359 WeakPolarHBondContact CE-O 3.15Å; M270-T376 HydrophobicContact CE-CG2 4.13Å; M270-T376 WeakPolarHBondContact CE-OG1 3.41Å; M270-E377 HydrophobicContact CE-CG 4.5Å; M270-E377 HydrophobicContact CG-CG 3.34Å; M270-E377 VanDerWaalsContact CG-OE1 3.24Å; M270-E377 WeakPolarHBondContact CG-OE1 3.36Å; M270-E377 HydrophobicContact SD-CG 4.17Å
271	E	88	Confident	86	Confident	89 Å²	89	75.2 Å²	75.2	42%	0.416	40%	0.398	S	S	.	.	S	Bend	trans	-77.7	133.4	176.1	-166.4	169.6	137.1	0	0	109.9	R267 S268 H274	R267-E271 HydrophobicContact CB-CB 4.44Å; R267-E271 WeakPolarHBondContact CD-OE1 3.23Å; R267-E271 WeakPolarHBondContact CD-OE2 3.43Å; R267-E271 WeakPolarHBondContact CG-OE2 3.31Å; R267-E271 IonicContact CZ-OE1 2.86Å; R267-E271 IonicContact NE-OE1 3.61Å; R267-E271 IonicContact NH1-OE1 3.63Å; R267-E271 PolarHBondContact NH1-OE1 3.25Å; S268-E271 PolarHBondContact O-N 2.92Å; E271-H274 IonicContact OE1-NE2 3.66Å
272	A	88.2	Confident	85.9	Confident	22 Å²	22	75.8 Å²	75.8	18%	0.182	41%	0.408	C	S	.	.	P	Polyproline II helix	trans	-67.2	130.2	-177.9	0	0	0	0	0	110.6	H274 L280	A272-H274 PolarHBondContact O-N 2.98Å; A272-L280 HydrophobicContact CB-CB 4.25Å; A272-L280 HydrophobicContact CB-CD1 4.35Å
273	P	88.5	Confident	85.5	Confident	28 Å²	28	76.7 Å²	76.7	18%	0.182	42%	0.422	C	S	.	.	P	Polyproline II helix	trans	-64.4	133.3	179.6	25.8	-33.6	0	0	0	111.1	D275 V276 L280 H317 Y334 H335	P273-D275 WeakPolarHBondContact CB-OD1 3.37Å; P273-V276 HydrophobicContact CB-CG2 4.01Å; P273-V276 HydrophobicContact CG-CG2 3.7Å; P273-L280 HydrophobicContact CG-CD1 4.05Å; P273-H317 HydrophobicContact CG-CB 4.24Å; P273-Y334 HydrophobicContact CG-CD2 4.16Å; P273-H335 WeakPolarHBondContact CB-NE2 3.41Å
274	H	86	Confident	85.2	Confident	138 Å²	138	75.4 Å²	75.4	64%	0.639	42%	0.42	S	S	*	.	S	Bend	trans	-92.4	-13.7	-179	-67.1	-40.2	0	0	0	114.1	E271 A272 V276	E271-H274 IonicContact OE1-NE2 3.66Å; A272-H274 PolarHBondContact O-N 2.98Å; H274-V276 VanDerWaalsContact C-N 3.28Å
275	D	87.6	Confident	84.9	Confident	121 Å²	121	68.6 Å²	68.6	65%	0.647	41%	0.405	S	S	*	.	S	Bend	trans	-82.8	-5.6	178.5	63.8	-33.6	0	0	0	112.9	P273 G277 H335	P273-D275 WeakPolarHBondContact CB-OD1 3.37Å; D275-G277 PolarHBondContact O-N 3.45Å; D275-H335 IonicContact OD1-CE1 3.82Å; D275-H335 PolarHBondContact OD1-CE1 3.38Å; D275-H335 VanDerWaalsContact OD1-CE1 3.23Å; D275-H335 IonicContact OD1-NE2 2.86Å; D275-H335 IonicContact OD2-CE1 3.21Å; D275-H335 PolarHBondContact OD2-CE1 3.41Å; D275-H335 IonicContact OD2-ND1 3.8Å
276	V	87.3	Confident	84.5	Confident	23 Å²	23	63.8 Å²	63.8	14%	0.139	38%	0.383	C	S	.	.	S	Bend	trans	-70.1	127.9	170.4	-178.8	0	0	0	0	108.9	P273 H274 V278 L280 Y334	P273-V276 HydrophobicContact CB-CG2 4.01Å; P273-V276 HydrophobicContact CG-CG2 3.7Å; H274-V276 VanDerWaalsContact C-N 3.28Å; V276-V278 HydrophobicContact CG1-CB 4.4Å; V276-V278 PolarHBondContact O-N 2.78Å; V276-L280 HydrophobicContact CB-CD1 4.45Å; V276-L280 HydrophobicContact CG2-CD1 4.41Å; V276-Y334 HydrophobicContact CB-CD1 4.46Å; V276-Y334 HydrophobicContact CB-CE1 4.49Å; V276-Y334 HydrophobicContact CG1-CD1 3.81Å; V276-Y334 HydrophobicContact CG1-CE1 3.47Å; V276-Y334 VanDerWaalsContact CG1-CE1 3.47Å; V276-Y334 HydrophobicContact CG1-CE2 4.48Å; V276-Y334 HydrophobicContact CG1-CG 4.45Å; V276-Y334 HydrophobicContact CG2-CD1 3.7Å; V276-Y334 HydrophobicContact CG2-CD2 4.01Å; V276-Y334 HydrophobicContact CG2-CE1 4.16Å; V276-Y334 HydrophobicContact CG2-CE2 4.44Å; V276-Y334 HydrophobicContact CG2-CG 3.61Å
277	G	84.8	Confident	84.1	Confident	89 Å²	89	70.8 Å²	70.8	92%	0.918	40%	0.403	S	S	*	.	S	Bend	trans	-65	13.2	-179.8	0	0	0	0	0	116	D275	D275-G277 PolarHBondContact O-N 3.45Å
278	V	85.5	Confident	83.9	Confident	56 Å²	56	75.2 Å²	75.2	34%	0.339	42%	0.42	S	S	.	.	S	Bend	trans	-130.7	135.7	176.4	179.6	0	0	0	0	107.8	V276 L280 H572 E573	V276-V278 HydrophobicContact CG1-CB 4.4Å; V276-V278 PolarHBondContact O-N 2.78Å; V278-L280 PolarHBondContact O-N 2.71Å; V278-H572 HydrophobicContact CG1-CB 4.21Å; V278-E573 HydrophobicContact CG1-CG 4.3Å; V278-E573 HydrophobicContact CG2-CG 4.35Å
279	S	86.8	Confident	83.8	Confident	66 Å²	66	74.3 Å²	74.3	46%	0.462	41%	0.413	S	S	.	.			trans	-70.5	116.5	175.9	-176.6	0	0	0	0	110.4	R281 A284	S279-R281 PolarHBondContact O-N 2.89Å; S279-A284 WeakPolarHBondContact O-CB 3.4Å
280	L	87.2	Confident	83.9	Confident	14 Å²	14	77.9 Å²	77.9	7%	0.073	43%	0.426	C	S	.	.			trans	-89.8	29.3	179.3	-55.9	178.6	0	0	0	112.7	A272 P273 V276 V278 S315 H317 Y334 H572	A272-L280 HydrophobicContact CB-CB 4.25Å; A272-L280 HydrophobicContact CB-CD1 4.35Å; P273-L280 HydrophobicContact CG-CD1 4.05Å; V276-L280 HydrophobicContact CB-CD1 4.45Å; V276-L280 HydrophobicContact CG2-CD1 4.41Å; V278-L280 PolarHBondContact O-N 2.71Å; L280-S315 WeakPolarHBondContact O-CA 3.42Å; L280-S315 WeakPolarHBondContact O-CB 3.46Å; L280-H317 HydrophobicContact CD1-CB 4.09Å; L280-Y334 HydrophobicContact CD1-CD2 4.23Å; L280-Y334 HydrophobicContact CD1-CE2 3.73Å; L280-Y334 HydrophobicContact CD2-CE2 4.02Å; L280-Y334 WeakPolarHBondContact CD2-OH 3.43Å; L280-H572 HydrophobicContact CD2-CB 4.27Å
281	R	83.9	Confident	84.1	Confident	179 Å²	179	79 Å²	79	68%	0.675	43%	0.432	S	S	*	.	S	Bend	trans	-90.5	148.7	175.3	-64.9	-175.2	-179.3	171.1	0.9	109.9	S279 D283 A284 H572	S279-R281 PolarHBondContact O-N 2.89Å; R281-D283 PolarHBondContact O-N 3.28Å; R281-D283 VanDerWaalsContact O-N 3.08Å; R281-A284 WeakPolarHBondContact O-CB 3.22Å; R281-A284 PolarHBondContact O-N 3.16Å; R281-H572 PolarHBondContact O-CE1 3.07Å; R281-H572 PolarHBondContact O-ND1 3.09Å
282	A	75.9	Confident	84.3	Confident	68 Å²	68	75 Å²	75	56%	0.562	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	-35.9	-177.8	0	0	0	0	0	113.9	A284	A282-A284 VanDerWaalsContact C-N 3.28Å; A282-A284 PolarHBondContact O-N 2.91Å
283	D	75.6	Confident	84.5	Confident	161 Å²	161	83.2 Å²	83.2	86%	0.861	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-16	-178.1	-56.9	-34.4	0	0	0	113.9	R281 A285	R281-D283 PolarHBondContact O-N 3.28Å; R281-D283 VanDerWaalsContact O-N 3.08Å; D283-A285 VanDerWaalsContact C-N 3.28Å; D283-A285 PolarHBondContact O-N 2.71Å
284	A	78.2	Confident	84.7	Confident	32 Å²	32	88 Å²	88	26%	0.264	46%	0.464	S	S	.	.			trans	-88.2	59	-175.3	0	0	0	0	0	111.7	S279 R281 A282 H572	S279-A284 WeakPolarHBondContact O-CB 3.4Å; R281-A284 WeakPolarHBondContact O-CB 3.22Å; R281-A284 PolarHBondContact O-N 3.16Å; A282-A284 VanDerWaalsContact C-N 3.28Å; A282-A284 PolarHBondContact O-N 2.91Å; A284-H572 PolarHBondContact O-ND1 2.83Å
285	A	77.5	Confident	85.2	Confident	56 Å²	56	85 Å²	85	46%	0.463	45%	0.452	S	S	.	.			trans	-75.6	137.2	171.4	0	0	0	0	0	110.7	D283 Q287 F531	D283-A285 VanDerWaalsContact C-N 3.28Å; D283-A285 PolarHBondContact O-N 2.71Å; A285-Q287 PolarHBondContact O-N 2.86Å; A285-F531 HydrophobicContact CB-CE2 4.48Å
286	P	79.7	Confident	85.5	Confident	13 Å²	13	81.3 Å²	81.3	8%	0.084	43%	0.432	C	S	.	.			trans	-67.7	133	-179.1	25	-31.9	0	0	0	111.3	R288 F531 P571 T574	P286-R288 PolarHBondContact O-N 3.03Å; P286-F531 WeakPolarHBondContact O-CD2 3.45Å; P286-F531 WeakPolarHBondContact O-CE2 3.35Å; P286-P571 WeakPolarHBondContact CD-O 3.27Å; P286-T574 HydrophobicContact CB-CG2 3.67Å
287	Q	77	Confident	85.8	Confident	196 Å²	196	82.8 Å²	82.8	92%	0.916	44%	0.437	S	S	*	.	S	Bend	trans	-63	-30.3	177.4	-65.2	-178.3	-3.2	0	0	112.9	A285	A285-Q287 PolarHBondContact O-N 2.86Å
288	R	81.7	Confident	86.3	Confident	140 Å²	140	81.3 Å²	81.3	53%	0.528	41%	0.41	S	S	.	.	S	Bend	trans	-146.5	136.9	-177.2	-176.5	174.1	178.5	173.4	-0.1	110.7	P286 Y290 T574	P286-R288 PolarHBondContact O-N 3.03Å; R288-Y290 HydrophobicContact CG-CE2 4.38Å; R288-T574 WeakPolarHBondContact O-CB 3.33Å; R288-T574 WeakPolarHBondContact O-CG2 3.45Å
289	C	85.3	Confident	86.8	Confident	6 Å²	6	78.8 Å²	78.8	4%	0.041	39%	0.394	C	S	.	.			trans	-102.2	154.1	174.3	-61.2	0	0	0	0	111.9	I530 Y533 W569 T574	C289-I530 WeakPolarHBondContact SG-CG2 3.42Å; C289-Y533 HydrophobicContact CB-CD2 4.24Å; C289-W569 HydrophobicContact CB-CH2 4.21Å; C289-W569 HydrophobicContact CB-CZ2 3.72Å; C289-T574 CarbonylContact C-O 3.57Å; C289-T574 WeakPolarHBondContact CA-O 3.42Å; C289-T574 VanDerWaalsContact CB-O 3.29Å; C289-T574 WeakPolarHBondContact CB-O 3.49Å
290	Y	89.8	Confident	87	Confident	120 Å²	120	79.4 Å²	79.4	47%	0.471	40%	0.404	S	S	.	.			trans	-127.5	150.1	178.8	-62.8	-84.7	0	0	0	110.4	R288 W569 T574 S575	R288-Y290 HydrophobicContact CG-CE2 4.38Å; Y290-W569 VanDerWaalsContact O-CH2 3.27Å; Y290-W569 WeakPolarHBondContact O-CH2 3.48Å; Y290-W569 WeakPolarHBondContact O-CZ2 3.32Å; Y290-T574 PolarHBondContact N-O 3.43Å; Y290-S575 WeakPolarHBondContact O-CA 3.39Å
291	I	91	Very high	87	Confident	41 Å²	41	80.2 Å²	80.2	21%	0.21	42%	0.415	C	S	.	.			trans	-75.3	131.3	178.6	-70.1	165.7	0	0	0	109.5	Y533 I545 Q554 A555 W557	I291-Y533 HydrophobicContact CD1-CE1 4.37Å; I291-Y533 HydrophobicContact CG1-CE2 4.24Å; I291-I545 HydrophobicContact CD1-CG2 4.42Å; I291-I545 HydrophobicContact CG1-CD1 4.3Å; I291-I545 HydrophobicContact CG1-CG2 4.2Å; I291-I545 HydrophobicContact CG2-CD1 4.08Å; I291-Q554 HydrophobicContact CD1-CB 3.65Å; I291-A555 HydrophobicContact CD1-CB 4.23Å; I291-A555 HydrophobicContact CG2-CB 3.72Å; I291-W557 HydrophobicContact CG2-CZ3 4.39Å
292	P	92.4	Very high	87.5	Confident	6 Å²	6	72.4 Å²	72.4	4%	0.039	39%	0.387	C	S	.	.			trans	-69	150.2	177	31.1	-38.5	0	0	0	111.6	I545 W557 S575 I577 W589 D590	P292-I545 HydrophobicContact CG-CD1 4.44Å; P292-W557 HydrophobicContact CG-CH2 3.61Å; P292-W557 HydrophobicContact CG-CZ2 3.93Å; P292-S575 WeakPolarHBondContact CB-O 3.31Å; P292-I577 HydrophobicContact CG-CD1 3.54Å; P292-W589 HydrophobicContact CB-CB 3.83Å; P292-W589 HydrophobicContact CG-CB 4.12Å; P292-D590 CarbonylContact C-O 3.5Å; P292-D590 VanDerWaalsContact CA-OXT 3.26Å; P292-D590 WeakPolarHBondContact CA-OXT 3.26Å
293	K	92	Very high	88.3	Confident	195 Å²	195	78.2 Å²	78.2	85%	0.848	40%	0.399	S	S	*	.			trans	-121.4	-27.4	-176.7	-65	-178.8	-179.5	177.6	0	113.2	D590	K293-D590 PolarHBondContact N-O 2.75Å
294	K	94.4	Very high	89.2	Confident	128 Å²	128	76.4 Å²	76.4	56%	0.557	38%	0.384	S	S	*	.	S	Bend	trans	-126.9	152.1	-172.9	58.6	174.9	-179.2	-175.9	0	111.7	W589 D590	K294-W589 VanDerWaalsContact O-CA 3.31Å; K294-W589 WeakPolarHBondContact O-CA 3.16Å; K294-D590 VanDerWaalsContact CG-O 3.22Å; K294-D590 WeakPolarHBondContact CG-O 3.27Å; K294-D590 PolarHBondContact N-O 3.2Å; K294-D590 PolarHBondContact O-N 3.02Å
295	L	95	Very high	89.9	Confident	74 Å²	74	75.1 Å²	75.1	39%	0.387	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	121.8	167.3	-178.9	70.9	0	0	0	108.3	K587 W589	L295-K587 HydrophobicContact CD1-CB 3.58Å; L295-K587 HydrophobicContact CD1-CD 4.06Å; L295-K587 HydrophobicContact CD1-CG 3.89Å; L295-W589 HydrophobicContact CB-CE3 4.02Å; L295-W589 HydrophobicContact CB-CH2 4.34Å; L295-W589 HydrophobicContact CB-CZ3 3.82Å; L295-W589 HydrophobicContact CD1-CD2 4.06Å; L295-W589 HydrophobicContact CD1-CE3 4.16Å; L295-W589 HydrophobicContact CD1-CH2 4.05Å; L295-W589 HydrophobicContact CD1-CZ2 3.94Å; L295-W589 HydrophobicContact CD1-CZ3 4.16Å
296	I	93.6	Very high	90.8	Very high	44 Å²	44	72.4 Å²	72.4	23%	0.226	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	-43.3	178.7	-48.1	172.8	0	0	0	111.2	R337 K576 F588 D590	I296-R337 PolarHBondContact O-NH1 3.04Å; I296-K576 HydrophobicContact CD1-CD 3.76Å; I296-F588 HydrophobicContact CB-CD1 4.14Å; I296-F588 HydrophobicContact CD1-CD1 3.59Å; I296-F588 HydrophobicContact CD1-CE1 3.77Å; I296-F588 HydrophobicContact CD1-CG 4.47Å; I296-F588 HydrophobicContact CG1-CD1 4.4Å; I296-F588 PolarHBondContact N-O 2.9Å; I296-D590 HydrophobicContact CD1-CB 3.15Å; I296-D590 HydrophobicContact CG1-CB 3.57Å
297	H	94.3	Very high	91.4	Very high	55 Å²	55	72.4 Å²	72.4	26%	0.255	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	156.8	-173.7	-164.3	60.9	0	0	0	112.7	W299 R337 F588	H297-W299 AromaticContact CD2-CD1 3.47Å; H297-W299 VanDerWaalsContact CD2-CD1 3.47Å; H297-W299 AromaticContact CD2-CD2 3.78Å; H297-W299 AromaticContact CD2-CE2 3.64Å; H297-W299 AromaticContact CD2-CG 3.74Å; H297-W299 AromaticContact CD2-NE1 3.43Å; H297-W299 PolarHBondContact CD2-NE1 2.88Å; H297-W299 AromaticContact NE2-CD1 3.45Å; H297-W299 AromaticContact NE2-CG 4Å; H297-W299 AromaticContact NE2-NE1 3.73Å; H297-R337 VanDerWaalsContact CB-CD 3.5Å; H297-F588 HydrophobicContact CB-CB 4.19Å; H297-F588 PolarHBondContact N-O 3.2Å; H297-F588 PolarHBondContact O-N 2.95Å
298	T	95.5	Very high	92.1	Very high	57 Å²	57	63.1 Å²	63.1	35%	0.35	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	106.2	179.4	-57	0	0	0	0	107.9	A300 V585 I586 K587	T298-A300 PolarHBondContact O-N 3.22Å; T298-V585 HydrophobicContact CG2-CG1 3.14Å; T298-I586 CarbonylContact C-O 3.58Å; T298-I586 WeakPolarHBondContact CA-O 3.11Å; T298-K587 HydrophobicContact CG2-CG 4.48Å
299	W	95.4	Very high	92.8	Very high	3 Å²	3	56.5 Å²	56.5	1%	0.011	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	106.3	172.1	-60.2	-77	0	0	0	109	H297 L319 W331 R337 I586 F588	H297-W299 AromaticContact CD2-CD1 3.47Å; H297-W299 VanDerWaalsContact CD2-CD1 3.47Å; H297-W299 AromaticContact CD2-CD2 3.78Å; H297-W299 AromaticContact CD2-CE2 3.64Å; H297-W299 AromaticContact CD2-CG 3.74Å; H297-W299 AromaticContact CD2-NE1 3.43Å; H297-W299 PolarHBondContact CD2-NE1 2.88Å; H297-W299 AromaticContact NE2-CD1 3.45Å; H297-W299 AromaticContact NE2-CG 4Å; H297-W299 AromaticContact NE2-NE1 3.73Å; W299-L319 HydrophobicContact CH2-CD1 4.16Å; W299-L319 HydrophobicContact CZ3-CD1 4.1Å; W299-W331 HydrophobicContact CB-CD2 4.1Å; W299-W331 HydrophobicContact CB-CE3 3.86Å; W299-W331 HydrophobicContact CB-CH2 4.11Å; W299-W331 HydrophobicContact CB-CZ2 4.37Å; W299-W331 HydrophobicContact CB-CZ3 3.85Å; W299-W331 AromaticContact CD1-CD2 3.89Å; W299-W331 AromaticContact CD1-CE3 3.29Å; W299-W331 AromaticContact CD1-CZ3 3.85Å; W299-W331 HydrophobicContact CG-CD2 4.03Å; W299-W331 AromaticContact CG-CE3 3.76Å; W299-W331 HydrophobicContact CG-CE3 3.76Å; W299-W331 HydrophobicContact CG-CG 4.43Å; W299-W331 HydrophobicContact CG-CZ3 4.19Å; W299-R337 VanDerWaalsContact CD1-O 3.23Å; W299-R337 PolarHBondContact NE1-O 2.77Å; W299-R337 VanDerWaalsContact NE1-O 3.1Å; W299-I586 HydrophobicContact CB-CB 4.18Å; W299-I586 HydrophobicContact CD2-CB 4.48Å; W299-I586 HydrophobicContact CE3-CB 3.68Å; W299-I586 HydrophobicContact CE3-CG2 3.41Å; W299-I586 VanDerWaalsContact CE3-CG2 3.41Å; W299-I586 HydrophobicContact CZ3-CB 4.46Å; W299-I586 HydrophobicContact CZ3-CG2 3.7Å; W299-I586 PolarHBondContact N-O 3.34Å; W299-I586 PolarHBondContact O-N 2.72Å; W299-I586 VanDerWaalsContact O-N 3.16Å; W299-F588 HydrophobicContact CH2-CB 3.71Å; W299-F588 HydrophobicContact CH2-CD1 4.44Å; W299-F588 AromaticContact CH2-CD2 3.86Å; W299-F588 HydrophobicContact CH2-CD2 3.86Å; W299-F588 AromaticContact CH2-CG 3.77Å; W299-F588 HydrophobicContact CH2-CG 3.77Å; W299-F588 HydrophobicContact CZ3-CB 3.65Å; W299-F588 HydrophobicContact CZ3-CD2 4.22Å; W299-F588 HydrophobicContact CZ3-CG 4.15Å
300	A	92.1	Very high	93.2	Very high	79 Å²	79	57.9 Å²	57.9	65%	0.653	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.8	127.1	171	0	0	0	0	0	109	T298	T298-A300 PolarHBondContact O-N 3.22Å
301	G	86.6	Confident	93.4	Very high	31 Å²	31	53.6 Å²	53.6	32%	0.32	27%	0.269	S	S	.	.			trans	175.9	-17.8	176.5	0	0	0	0	0	115.4	K329	G301-K329 VanDerWaalsContact C-NZ 3.34Å; G301-K329 PolarHBondContact O-NZ 2.85Å
302	H	93.7	Very high	93.5	Very high	16 Å²	16	52.2 Å²	52.2	7%	0.074	26%	0.262	C	S	.	.			trans	-80	136.3	163	-68.4	-74.4	0	0	0	108.5	K304 V306 S321	H302-K304 WeakPolarHBondContact CB-O 3.12Å; H302-V306 HydrophobicContact CB-CG2 4.09Å; H302-V306 VanDerWaalsContact CD2-CG2 3.44Å; H302-V306 WeakPolarHBondContact CD2-CG2 3.32Å; H302-S321 PolarHBondContact NE2-OG 3.07Å
303	K	93.5	Very high	93.4	Very high	190 Å²	190	53.2 Å²	53.2	83%	0.826	27%	0.268	S	S	*	.	S	Bend	trans	-80.9	-24.5	175.6	-62.8	-175.4	175.4	-172.5	0	111.9	D325	K303-D325 VanDerWaalsContact CA-OD2 3.32Å; K303-D325 WeakPolarHBondContact CA-OD2 3.36Å; K303-D325 WeakPolarHBondContact CB-OD2 3.49Å; K303-D325 PolarHBondContact N-OD2 3.25Å
304	K	94.9	Very high	93.1	Very high	123 Å²	123	50.1 Å²	50.1	54%	0.535	26%	0.257	S	S	.	.	S	Bend	trans	-121.1	176.4	172.7	-67	170.9	-170.4	179.6	0	111	H302 M324 D325 G584	H302-K304 WeakPolarHBondContact CB-O 3.12Å; K304-M324 HydrophobicContact CB-CB 3.69Å; K304-M324 HydrophobicContact CD-CB 4.14Å; K304-D325 WeakPolarHBondContact CB-OD1 2.94Å; K304-D325 WeakPolarHBondContact CD-OD1 3.11Å; K304-D325 WeakPolarHBondContact CG-OD1 3.18Å; K304-D325 VanDerWaalsContact N-CG 3.29Å; K304-D325 PolarHBondContact N-OD1 2.94Å; K304-D325 PolarHBondContact N-OD2 2.83Å; K304-G584 WeakPolarHBondContact O-CA 3.23Å
305	G	93.1	Very high	92.8	Very high	4 Å²	4	44.5 Å²	44.5	4%	0.041	23%	0.233	C	C	.	.			trans	-51.6	143.8	179.8	0	0	0	0	0	115.1	M324 W582	G305-M324 WeakPolarHBondContact O-CB 3.36Å; G305-M324 WeakPolarHBondContact O-CG 3.4Å; G305-M324 PolarHBondContact O-N 3.43Å; G305-W582 WeakPolarHBondContact CA-O 3.02Å
306	V	95.3	Very high	92.7	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	123.8	174.6	177.8	0	0	0	0	108.9	H302 I309 A322 I565 C580 G581 I586	H302-V306 HydrophobicContact CB-CG2 4.09Å; H302-V306 VanDerWaalsContact CD2-CG2 3.44Å; H302-V306 WeakPolarHBondContact CD2-CG2 3.32Å; V306-I309 HydrophobicContact CG1-CD1 4.46Å; V306-I309 HydrophobicContact CG1-CG1 4Å; V306-A322 CarbonylContact C-O 3.55Å; V306-A322 WeakPolarHBondContact CA-O 3.33Å; V306-A322 WeakPolarHBondContact CG1-O 3.3Å; V306-I565 WeakPolarHBondContact O-CD1 3.41Å; V306-C580 HydrophobicContact CB-CB 3.8Å; V306-C580 HydrophobicContact CG1-CB 3.63Å; V306-G581 PolarHBondContact N-O 3.08Å; V306-I586 HydrophobicContact CG1-CD1 4.42Å; V306-I586 HydrophobicContact CG1-CG1 4.39Å; V306-I586 HydrophobicContact CG2-CG1 4.13Å
307	Q	92.9	Very high	92.6	Very high	12 Å²	12	39.2 Å²	39.2	6%	0.056	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	-39.4	-174.7	-68.7	-73.5	30.2	0	0	113.4	A322 M324 V350 I565	Q307-A322 PolarHBondContact N-O 3.16Å; Q307-M324 VanDerWaalsContact CD-CE 3.5Å; Q307-M324 HydrophobicContact CG-CE 4.36Å; Q307-M324 HydrophobicContact CG-CG 3.73Å; Q307-V350 WeakPolarHBondContact CB-O 3.46Å; Q307-V350 WeakPolarHBondContact CG-O 3.38Å; Q307-I565 VanDerWaalsContact OE1-CD1 3.28Å
308	A	92.6	Very high	92.6	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.008	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	148.2	-176.5	0	0	0	0	0	110.3	S321 A322	A308-S321 WeakPolarHBondContact O-CA 3.49Å; A308-A322 HydrophobicContact CB-CB 3.97Å; A308-A322 PolarHBondContact O-N 3.11Å
309	I	94.7	Very high	92.6	Very high	2 Å²	2	34 Å²	34	1%	0.01	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	144	169.2	-66.6	178.5	0	0	0	108.1	V306 L319 L320 L568 C580 I586	V306-I309 HydrophobicContact CG1-CD1 4.46Å; V306-I309 HydrophobicContact CG1-CG1 4Å; I309-L319 HydrophobicContact CD1-CD2 4.39Å; I309-L319 HydrophobicContact CG1-CD2 4.44Å; I309-L319 HydrophobicContact CG2-CD1 3.68Å; I309-L319 HydrophobicContact CG2-CD2 3.57Å; I309-L319 HydrophobicContact CG2-CG 3.46Å; I309-L319 VanDerWaalsContact CG2-CG 3.46Å; I309-L320 CarbonylContact C-O 3.54Å; I309-L320 VanDerWaalsContact CA-O 3.23Å; I309-L320 WeakPolarHBondContact CA-O 3.18Å; I309-L568 HydrophobicContact CB-CD1 4.26Å; I309-L568 HydrophobicContact CG2-CD1 3.89Å; I309-L568 WeakPolarHBondContact O-CD1 3.36Å; I309-C580 HydrophobicContact CD1-CB 3.35Å; I309-C580 HydrophobicContact CG1-CB 3.91Å; I309-I586 HydrophobicContact CD1-CB 4.17Å; I309-I586 HydrophobicContact CD1-CD1 3.88Å; I309-I586 HydrophobicContact CD1-CG1 3.87Å; I309-I586 HydrophobicContact CD1-CG2 3.34Å; I309-I586 HydrophobicContact CG1-CD1 4.29Å
310	R	94.5	Very high	92.6	Very high	35 Å²	35	33.9 Å²	33.9	13%	0.132	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	137.6	169.4	-62	-64.5	177.4	-152.3	-8.3	110.8	L320 D352 I353 F355 Y526	R310-L320 PolarHBondContact N-O 2.7Å; R310-L320 PolarHBondContact O-N 2.84Å; R310-D352 IonicContact CZ-OD1 3.79Å; R310-D352 IonicContact NE-OD1 3.2Å; R310-D352 IonicContact NH2-OD1 3.95Å; R310-D352 PolarHBondContact NH2-OD1 2.94Å; R310-I353 WeakPolarHBondContact CG-O 3.23Å; R310-I353 PolarHBondContact NE-O 3.46Å; R310-F355 HydrophobicContact CB-CD2 4.03Å; R310-F355 HydrophobicContact CB-CE2 4.15Å; R310-Y526 VanDerWaalsContact CZ-CZ 3.46Å; R310-Y526 PolarHBondContact NH1-OH 3.2Å; R310-Y526 PolarHBondContact NH2-OH 2.97Å
311	W	93.2	Very high	92.8	Very high	30 Å²	30	30.1 Å²	30.1	11%	0.114	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	147.9	163.8	-69.8	124.5	0	0	0	110.2	A316 L319 V333 F355 L568 W569 H570 A578 F588	W311-A316 HydrophobicContact CB-CB 3.87Å; W311-A316 HydrophobicContact CD2-CB 4.01Å; W311-A316 HydrophobicContact CE3-CB 4.01Å; W311-A316 HydrophobicContact CG-CB 3.98Å; W311-L319 HydrophobicContact CE3-CB 4.16Å; W311-L319 HydrophobicContact CE3-CD1 4.21Å; W311-L319 HydrophobicContact CE3-CG 4.47Å; W311-L319 HydrophobicContact CH2-CD1 3.81Å; W311-L319 HydrophobicContact CZ2-CD1 4.48Å; W311-L319 HydrophobicContact CZ3-CB 3.96Å; W311-L319 HydrophobicContact CZ3-CD1 3.66Å; W311-L319 HydrophobicContact CZ3-CG 4.28Å; W311-V333 HydrophobicContact CE3-CG2 4.26Å; W311-V333 HydrophobicContact CH2-CG1 4.29Å; W311-V333 HydrophobicContact CH2-CG2 4.46Å; W311-V333 HydrophobicContact CZ3-CB 4.42Å; W311-V333 HydrophobicContact CZ3-CG1 4.02Å; W311-V333 HydrophobicContact CZ3-CG2 3.52Å; W311-F355 WeakPolarHBondContact O-CD2 3.47Å; W311-L568 HydrophobicContact CG-CD1 4.47Å; W311-W569 PolarHBondContact NE1-O 2.97Å; W311-H570 AromaticContact CH2-CD2 3.94Å; W311-H570 HydrophobicContact CZ2-CB 4.22Å; W311-A578 HydrophobicContact CH2-CB 3.78Å; W311-A578 HydrophobicContact CZ2-CB 3.62Å; W311-F588 HydrophobicContact CH2-CD2 4.37Å; W311-F588 AromaticContact CH2-CE2 3.73Å; W311-F588 HydrophobicContact CH2-CE2 3.73Å; W311-F588 HydrophobicContact CZ2-CE2 4.33Å
312	F	94	Very high	93.2	Very high	12 Å²	12	28.7 Å²	28.7	5%	0.053	13%	0.131	C	C	.	.	P	Polyproline II helix	trans	-58.6	134.9	165	-165.8	-101.5	0	0	0	110.3	M270 S315 A316 H317 L318 F355	M270-F312 HydrophobicContact CE-CD2 4.45Å; M270-F312 HydrophobicContact CE-CE2 3.27Å; M270-F312 HydrophobicContact CE-CZ 3.51Å; M270-F312 HydrophobicContact SD-CE2 4.09Å; M270-F312 HydrophobicContact SD-CZ 4.49Å; F312-S315 WeakPolarHBondContact CD1-OG 3.48Å; F312-A316 WeakPolarHBondContact O-CA 3.39Å; F312-A316 PolarHBondContact O-N 2.86Å; F312-A316 VanDerWaalsContact O-N 3.07Å; F312-H317 AromaticContact CD1-CE1 3.32Å; F312-H317 WeakPolarHBondContact CD1-CE1 3.38Å; F312-H317 AromaticContact CD1-ND1 3.65Å; F312-H317 AromaticContact CE1-CE1 3.56Å; F312-H317 AromaticContact CG-CE1 3.96Å; F312-L318 HydrophobicContact CB-CB 3.9Å; F312-L318 HydrophobicContact CB-CG 4.49Å; F312-L318 WeakPolarHBondContact CB-O 3.38Å; F312-L318 HydrophobicContact CD2-CB 4.31Å; F312-L318 HydrophobicContact CD2-CD1 4Å; F312-L318 HydrophobicContact CD2-CG 4.46Å; F312-L318 HydrophobicContact CE2-CD1 4.37Å; F312-L318 HydrophobicContact CG-CB 4.27Å; F312-L318 HydrophobicContact CG-CD1 4.4Å; F312-L318 HydrophobicContact CG-CG 4.44Å; F312-L318 PolarHBondContact N-O 3.3Å; F312-F355 HydrophobicContact CD2-CE1 4.12Å; F312-F355 HydrophobicContact CD2-CZ 4.08Å; F312-F355 HydrophobicContact CE2-CE1 4.42Å
313	P	90.6	Very high	93.3	Very high	27 Å²	27	27.9 Å²	27.9	18%	0.175	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	155.3	-179.5	29.4	-38.5	0	0	0	111.5	S315 F355 N356 N357	P313-S315 PolarHBondContact O-N 3.05Å; P313-F355 HydrophobicContact CG-CB 4.28Å; P313-N356 WeakPolarHBondContact CG-O 3.08Å; P313-N357 VanDerWaalsContact CB-O 3.3Å; P313-N357 WeakPolarHBondContact CB-O 3.35Å; P313-N357 WeakPolarHBondContact CG-O 3.38Å
314	Q	84.7	Confident	93.4	Very high	130 Å²	130	21.1 Å²	21.1	61%	0.607	10%	0.099	S	C	*	.	T	Hydrogen-bonded Turn	trans	65	-42.5	179.4	-55.9	-176.7	-17.1	0	0	117.6	H572	Q314-H572 PolarHBondContact O-CE1 3.21Å; Q314-H572 PolarHBondContact O-NE2 2.94Å
315	S	89	Confident	93.3	Very high	9 Å²	9	17.3 Å²	17.3	6%	0.063	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.2	-19.8	-168.5	54.2	0	0	0	0	114.9	L280 F312 P313 H317 H572	L280-S315 WeakPolarHBondContact O-CA 3.42Å; L280-S315 WeakPolarHBondContact O-CB 3.46Å; F312-S315 WeakPolarHBondContact CD1-OG 3.48Å; P313-S315 PolarHBondContact O-N 3.05Å; S315-H317 PolarHBondContact O-N 3.01Å; S315-H317 PolarHBondContact OG-CE1 3.25Å; S315-H317 PolarHBondContact OG-ND1 3.11Å; S315-H572 PolarHBondContact O-CD2 2.55Å
316	A	91.7	Very high	93.3	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	8%	0.084	C	C	.	.			trans	53.8	21.7	178.7	0	0	0	0	0	116.5	W311 F312 L318 H570 P571	W311-A316 HydrophobicContact CB-CB 3.87Å; W311-A316 HydrophobicContact CD2-CB 4.01Å; W311-A316 HydrophobicContact CE3-CB 4.01Å; W311-A316 HydrophobicContact CG-CB 3.98Å; F312-A316 WeakPolarHBondContact O-CA 3.39Å; F312-A316 PolarHBondContact O-N 2.86Å; F312-A316 VanDerWaalsContact O-N 3.07Å; A316-L318 VanDerWaalsContact C-N 3.29Å; A316-L318 PolarHBondContact O-N 3.1Å; A316-H570 WeakPolarHBondContact CB-NE2 3.17Å; A316-H570 PolarHBondContact O-NE2 3.3Å; A316-P571 VanDerWaalsContact CB-CD 3.47Å; A316-P571 HydrophobicContact CB-CG 3.44Å; A316-P571 VanDerWaalsContact CB-CG 3.44Å
317	H	93.3	Very high	93.3	Very high	7 Å²	7	21 Å²	21	3%	0.032	10%	0.1	C	C	.	.			trans	-73.5	-19.4	176.8	67.8	-74.1	0	0	0	113.9	F269 M270 P273 L280 F312 S315 V333 Y334	F269-H317 PolarHBondContact O-NE2 2.94Å; M270-H317 VanDerWaalsContact C-NE2 3.35Å; M270-H317 PolarHBondContact O-CE1 3.23Å; M270-H317 PolarHBondContact O-NE2 3.22Å; M270-H317 VanDerWaalsContact O-NE2 3.14Å; P273-H317 HydrophobicContact CG-CB 4.24Å; L280-H317 HydrophobicContact CD1-CB 4.09Å; F312-H317 AromaticContact CD1-CE1 3.32Å; F312-H317 WeakPolarHBondContact CD1-CE1 3.38Å; F312-H317 AromaticContact CD1-ND1 3.65Å; F312-H317 AromaticContact CE1-CE1 3.56Å; F312-H317 AromaticContact CG-CE1 3.96Å; S315-H317 PolarHBondContact O-N 3.01Å; S315-H317 PolarHBondContact OG-CE1 3.25Å; S315-H317 PolarHBondContact OG-ND1 3.11Å; H317-V333 VanDerWaalsContact O-CB 3.24Å; H317-V333 WeakPolarHBondContact O-CB 3.39Å; H317-V333 WeakPolarHBondContact O-CG2 3.37Å; H317-V333 PolarHBondContact O-N 2.8Å; H317-Y334 HydrophobicContact CB-CD2 4.01Å; H317-Y334 HydrophobicContact CB-CE2 4.19Å
318	L	94.2	Very high	93.5	Very high	3 Å²	3	20.5 Å²	20.5	2%	0.016	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	153	171.6	-45.8	174	0	0	0	110.9	F269 M270 F312 A316 L330 W331 I340	F269-L318 HydrophobicContact CD2-CD1 3.93Å; F269-L318 HydrophobicContact CE2-CD1 4.43Å; M270-L318 HydrophobicContact SD-CD1 3.92Å; F312-L318 HydrophobicContact CB-CB 3.9Å; F312-L318 HydrophobicContact CB-CG 4.49Å; F312-L318 WeakPolarHBondContact CB-O 3.38Å; F312-L318 HydrophobicContact CD2-CB 4.31Å; F312-L318 HydrophobicContact CD2-CD1 4Å; F312-L318 HydrophobicContact CD2-CG 4.46Å; F312-L318 HydrophobicContact CE2-CD1 4.37Å; F312-L318 HydrophobicContact CG-CB 4.27Å; F312-L318 HydrophobicContact CG-CD1 4.4Å; F312-L318 HydrophobicContact CG-CG 4.44Å; F312-L318 PolarHBondContact N-O 3.3Å; A316-L318 VanDerWaalsContact C-N 3.29Å; A316-L318 PolarHBondContact O-N 3.1Å; L318-L330 HydrophobicContact CB-CD1 3.99Å; L318-L330 HydrophobicContact CB-CG 4.45Å; L318-L330 HydrophobicContact CD1-CD1 4.38Å; L318-L330 HydrophobicContact CD1-CD2 4.08Å; L318-L330 HydrophobicContact CD1-CG 4.42Å; L318-W331 CarbonylContact C-O 3.54Å; L318-W331 WeakPolarHBondContact CA-O 3.24Å; L318-I340 HydrophobicContact CD2-CD1 3.41Å; L318-I340 VanDerWaalsContact CD2-CD1 3.41Å
319	L	94.8	Very high	93.6	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	125.4	176.4	-177.9	152.3	0	0	0	109.1	W299 I309 W311 W331 V333 A578 I586	W299-L319 HydrophobicContact CH2-CD1 4.16Å; W299-L319 HydrophobicContact CZ3-CD1 4.1Å; I309-L319 HydrophobicContact CD1-CD2 4.39Å; I309-L319 HydrophobicContact CG1-CD2 4.44Å; I309-L319 HydrophobicContact CG2-CD1 3.68Å; I309-L319 HydrophobicContact CG2-CD2 3.57Å; I309-L319 HydrophobicContact CG2-CG 3.46Å; I309-L319 VanDerWaalsContact CG2-CG 3.46Å; W311-L319 HydrophobicContact CE3-CB 4.16Å; W311-L319 HydrophobicContact CE3-CD1 4.21Å; W311-L319 HydrophobicContact CE3-CG 4.47Å; W311-L319 HydrophobicContact CH2-CD1 3.81Å; W311-L319 HydrophobicContact CZ2-CD1 4.48Å; W311-L319 HydrophobicContact CZ3-CB 3.96Å; W311-L319 HydrophobicContact CZ3-CD1 3.66Å; W311-L319 HydrophobicContact CZ3-CG 4.28Å; L319-W331 HydrophobicContact CB-CB 4.32Å; L319-W331 HydrophobicContact CD2-CB 4.41Å; L319-W331 HydrophobicContact CD2-CG 4.34Å; L319-W331 PolarHBondContact N-O 2.97Å; L319-W331 WeakPolarHBondContact O-CB 3.39Å; L319-W331 PolarHBondContact O-N 2.75Å; L319-V333 HydrophobicContact CB-CG2 3.93Å; L319-A578 HydrophobicContact CD1-CB 3.62Å; L319-I586 HydrophobicContact CD2-CD1 3.95Å; L319-I586 HydrophobicContact CD2-CG2 4.44Å
320	L	95.8	Very high	93.7	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.005	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	133.7	177.9	-168	161.3	0	0	0	109.4	I309 R310 V328 K329 L330 I353 F355 F362	I309-L320 CarbonylContact C-O 3.54Å; I309-L320 VanDerWaalsContact CA-O 3.23Å; I309-L320 WeakPolarHBondContact CA-O 3.18Å; R310-L320 PolarHBondContact N-O 2.7Å; R310-L320 PolarHBondContact O-N 2.84Å; L320-V328 HydrophobicContact CD1-CG1 4.28Å; L320-V328 HydrophobicContact CD2-CG1 3.42Å; L320-V328 VanDerWaalsContact CD2-CG1 3.42Å; L320-V328 HydrophobicContact CG-CG1 3.87Å; L320-K329 CarbonylContact C-O 3.54Å; L320-K329 WeakPolarHBondContact CA-O 3.49Å; L320-L330 HydrophobicContact CB-CD1 4.04Å; L320-L330 HydrophobicContact CG-CD1 4.39Å; L320-I353 HydrophobicContact CD1-CG2 4Å; L320-I353 HydrophobicContact CD2-CB 3.86Å; L320-I353 HydrophobicContact CD2-CD1 3.27Å; L320-I353 HydrophobicContact CD2-CG1 4.12Å; L320-I353 HydrophobicContact CD2-CG2 3.31Å; L320-I353 HydrophobicContact CG-CG2 4.31Å; L320-F355 HydrophobicContact CB-CE2 3.48Å; L320-F355 VanDerWaalsContact CB-CE2 3.48Å; L320-F355 HydrophobicContact CB-CZ 3.46Å; L320-F355 VanDerWaalsContact CB-CZ 3.46Å; L320-F355 HydrophobicContact CD1-CD1 4.38Å; L320-F355 HydrophobicContact CD1-CE1 3.58Å; L320-F355 HydrophobicContact CD1-CE2 3.84Å; L320-F355 HydrophobicContact CD1-CZ 3.28Å; L320-F355 HydrophobicContact CG-CE2 4.28Å; L320-F355 HydrophobicContact CG-CZ 3.98Å; L320-F362 HydrophobicContact CD1-CB 4.14Å; L320-F362 HydrophobicContact CD1-CD1 4.01Å; L320-F362 HydrophobicContact CD1-CD2 3.81Å; L320-F362 HydrophobicContact CD1-CE1 4.32Å; L320-F362 HydrophobicContact CD1-CE2 4.17Å; L320-F362 HydrophobicContact CD1-CG 3.71Å; L320-F362 HydrophobicContact CD1-CZ 4.38Å
321	S	95.7	Very high	93.7	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	141.8	176.8	61.3	0	0	0	0	114.9	H302 A308 V328 K329 W331 I586	H302-S321 PolarHBondContact NE2-OG 3.07Å; A308-S321 WeakPolarHBondContact O-CA 3.49Å; S321-V328 WeakPolarHBondContact O-CA 3.2Å; S321-K329 PolarHBondContact N-O 3.28Å; S321-K329 PolarHBondContact O-N 3.43Å; S321-W331 PolarHBondContact OG-NE1 3.11Å; S321-I586 WeakPolarHBondContact OG-CD1 3.22Å
322	A	95.6	Very high	93.6	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	120	177.3	0	0	0	0	0	110.6	V306 Q307 A308 V350 I353	V306-A322 CarbonylContact C-O 3.55Å; V306-A322 WeakPolarHBondContact CA-O 3.33Å; V306-A322 WeakPolarHBondContact CG1-O 3.3Å; Q307-A322 PolarHBondContact N-O 3.16Å; A308-A322 HydrophobicContact CB-CB 3.97Å; A308-A322 PolarHBondContact O-N 3.11Å; A322-V350 HydrophobicContact CB-CB 4.11Å; A322-V350 HydrophobicContact CB-CG1 3.95Å; A322-I353 HydrophobicContact CB-CD1 3.28Å; A322-I353 HydrophobicContact CB-CG1 3.76Å
323	G	94.8	Very high	93.6	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	149.5	177.2	0	0	0	0	0	113.4	D325 G326 K327 V350	G323-D325 PolarHBondContact O-N 3.3Å; G323-G326 PolarHBondContact O-N 2.67Å; G323-K327 PolarHBondContact N-O 2.84Å; G323-V350 PolarHBondContact O-N 2.86Å
324	M	95.6	Very high	93.5	Very high	48 Å²	48	20.3 Å²	20.3	24%	0.236	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-7.9	164	-72.1	-177.2	-176	0	0	113.4	K304 G305 Q307 G326 A349 W582	K304-M324 HydrophobicContact CB-CB 3.69Å; K304-M324 HydrophobicContact CD-CB 4.14Å; G305-M324 WeakPolarHBondContact O-CB 3.36Å; G305-M324 WeakPolarHBondContact O-CG 3.4Å; G305-M324 PolarHBondContact O-N 3.43Å; Q307-M324 VanDerWaalsContact CD-CE 3.5Å; Q307-M324 HydrophobicContact CG-CE 4.36Å; Q307-M324 HydrophobicContact CG-CG 3.73Å; M324-G326 PolarHBondContact O-N 3.05Å; M324-A349 HydrophobicContact CB-CB 4.06Å; M324-A349 HydrophobicContact CG-CB 4.25Å; M324-W582 VanDerWaalsContact CE-CD1 3.45Å; M324-W582 HydrophobicContact CE-CD2 3.97Å; M324-W582 HydrophobicContact CE-CG 3.97Å; M324-W582 HydrophobicContact CE-CZ2 4.17Å
325	D	94.1	Very high	93.6	Very high	43 Å²	43	18.9 Å²	18.9	23%	0.23	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-1.8	174.1	-63.4	-41	0	0	0	114.4	K303 K304 G323 K327	K303-D325 VanDerWaalsContact CA-OD2 3.32Å; K303-D325 WeakPolarHBondContact CA-OD2 3.36Å; K303-D325 WeakPolarHBondContact CB-OD2 3.49Å; K303-D325 PolarHBondContact N-OD2 3.25Å; K304-D325 WeakPolarHBondContact CB-OD1 2.94Å; K304-D325 WeakPolarHBondContact CD-OD1 3.11Å; K304-D325 WeakPolarHBondContact CG-OD1 3.18Å; K304-D325 VanDerWaalsContact N-CG 3.29Å; K304-D325 PolarHBondContact N-OD1 2.94Å; K304-D325 PolarHBondContact N-OD2 2.83Å; G323-D325 PolarHBondContact O-N 3.3Å; D325-K327 VanDerWaalsContact C-N 3.25Å; D325-K327 HydrophobicContact CB-CG 4.31Å
326	G	93.3	Very high	93.3	Very high	3 Å²	3	20.2 Å²	20.2	3%	0.031	10%	0.104	C	C	.	.	S	Bend	trans	75.6	15.2	-171.7	0	0	0	0	0	113.7	G323 M324 M348	G323-G326 PolarHBondContact O-N 2.67Å; M324-G326 PolarHBondContact O-N 3.05Å; G326-M348 WeakPolarHBondContact CA-O 3.44Å
327	K	94.9	Very high	93.2	Very high	77 Å²	77	23.6 Å²	23.6	34%	0.335	12%	0.117	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	141.7	179.2	-59.4	-171.8	179.7	-171.6	0	110.9	G323 D325 T342 Y343 V344	G323-K327 PolarHBondContact N-O 2.84Å; D325-K327 VanDerWaalsContact C-N 3.25Å; D325-K327 HydrophobicContact CB-CG 4.31Å; K327-T342 HydrophobicContact CB-CG2 4.26Å; K327-T342 HydrophobicContact CD-CG2 4.04Å; K327-Y343 WeakPolarHBondContact CA-O 3.14Å; K327-V344 HydrophobicContact CD-CG2 4.36Å; K327-V344 HydrophobicContact CG-CG2 4.3Å
328	V	96.6	Very high	93.1	Very high	2 Å²	2	29 Å²	29	1%	0.012	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	136.9	166.5	179.3	0	0	0	0	107.8	L320 S321 T342 Y343 V350 I353 F362	L320-V328 HydrophobicContact CD1-CG1 4.28Å; L320-V328 HydrophobicContact CD2-CG1 3.42Å; L320-V328 VanDerWaalsContact CD2-CG1 3.42Å; L320-V328 HydrophobicContact CG-CG1 3.87Å; S321-V328 WeakPolarHBondContact O-CA 3.2Å; V328-T342 CarbonylContact O-C 3.53Å; V328-T342 WeakPolarHBondContact O-CA 3.5Å; V328-Y343 HydrophobicContact CB-CD2 4.09Å; V328-Y343 HydrophobicContact CG1-CD2 4.03Å; V328-Y343 PolarHBondContact N-O 2.71Å; V328-Y343 WeakPolarHBondContact O-CD2 3.32Å; V328-Y343 PolarHBondContact O-N 3.29Å; V328-V350 HydrophobicContact CG2-CG1 4.17Å; V328-V350 HydrophobicContact CG2-CG2 4.1Å; V328-I353 HydrophobicContact CB-CD1 4.14Å; V328-I353 HydrophobicContact CG1-CD1 3.57Å; V328-I353 HydrophobicContact CG2-CD1 3.54Å; V328-F362 HydrophobicContact CB-CE2 4.46Å; V328-F362 HydrophobicContact CG1-CE2 3.88Å; V328-F362 HydrophobicContact CG1-CZ 4.22Å
329	K	95.5	Very high	92.9	Very high	27 Å²	27	30 Å²	30	12%	0.117	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	139.4	179.4	-71.5	-172.6	166.7	-162.2	0	110.9	G301 L320 S321 W331 R341 T342	G301-K329 VanDerWaalsContact C-NZ 3.34Å; G301-K329 PolarHBondContact O-NZ 2.85Å; L320-K329 CarbonylContact C-O 3.54Å; L320-K329 WeakPolarHBondContact CA-O 3.49Å; S321-K329 PolarHBondContact N-O 3.28Å; S321-K329 PolarHBondContact O-N 3.43Å; K329-W331 HydrophobicContact CB-CZ2 3.89Å; K329-W331 HydrophobicContact CD-CH2 4.12Å; K329-W331 HydrophobicContact CD-CZ2 3.52Å; K329-W331 HydrophobicContact CG-CZ2 4.35Å; K329-R341 WeakPolarHBondContact CA-O 3.41Å; K329-T342 WeakPolarHBondContact CE-OG1 3.48Å; K329-T342 HydrophobicContact CG-CG2 3.97Å
330	L	95.3	Very high	92.8	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	129.1	173.7	-167.8	67.1	0	0	0	109.1	F269 L318 L320 I340 R341 Y343 F355	F269-L330 HydrophobicContact CD2-CD2 4.08Å; F269-L330 HydrophobicContact CE2-CD2 3.47Å; F269-L330 VanDerWaalsContact CE2-CD2 3.47Å; F269-L330 HydrophobicContact CZ-CD2 4.29Å; L318-L330 HydrophobicContact CB-CD1 3.99Å; L318-L330 HydrophobicContact CB-CG 4.45Å; L318-L330 HydrophobicContact CD1-CD1 4.38Å; L318-L330 HydrophobicContact CD1-CD2 4.08Å; L318-L330 HydrophobicContact CD1-CG 4.42Å; L320-L330 HydrophobicContact CB-CD1 4.04Å; L320-L330 HydrophobicContact CG-CD1 4.39Å; L330-I340 PolarHBondContact O-N 2.89Å; L330-R341 HydrophobicContact CB-CB 4.42Å; L330-R341 PolarHBondContact N-O 2.93Å; L330-R341 PolarHBondContact O-N 3.36Å; L330-Y343 HydrophobicContact CB-CE2 4.22Å; L330-F355 HydrophobicContact CD1-CZ 4.09Å
331	W	94.4	Very high	92.6	Very high	10 Å²	10	31.9 Å²	31.9	4%	0.038	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	137.9	-174.1	-55	89.6	0	0	0	109.8	W299 L318 L319 S321 K329 R338 C339	W299-W331 HydrophobicContact CB-CD2 4.1Å; W299-W331 HydrophobicContact CB-CE3 3.86Å; W299-W331 HydrophobicContact CB-CH2 4.11Å; W299-W331 HydrophobicContact CB-CZ2 4.37Å; W299-W331 HydrophobicContact CB-CZ3 3.85Å; W299-W331 AromaticContact CD1-CD2 3.89Å; W299-W331 AromaticContact CD1-CE3 3.29Å; W299-W331 AromaticContact CD1-CZ3 3.85Å; W299-W331 HydrophobicContact CG-CD2 4.03Å; W299-W331 AromaticContact CG-CE3 3.76Å; W299-W331 HydrophobicContact CG-CE3 3.76Å; W299-W331 HydrophobicContact CG-CG 4.43Å; W299-W331 HydrophobicContact CG-CZ3 4.19Å; L318-W331 CarbonylContact C-O 3.54Å; L318-W331 WeakPolarHBondContact CA-O 3.24Å; L319-W331 HydrophobicContact CB-CB 4.32Å; L319-W331 HydrophobicContact CD2-CB 4.41Å; L319-W331 HydrophobicContact CD2-CG 4.34Å; L319-W331 PolarHBondContact N-O 2.97Å; L319-W331 WeakPolarHBondContact O-CB 3.39Å; L319-W331 PolarHBondContact O-N 2.75Å; S321-W331 PolarHBondContact OG-NE1 3.11Å; K329-W331 HydrophobicContact CB-CZ2 3.89Å; K329-W331 HydrophobicContact CD-CH2 4.12Å; K329-W331 HydrophobicContact CD-CZ2 3.52Å; K329-W331 HydrophobicContact CG-CZ2 4.35Å; W331-R338 WeakPolarHBondContact CA-O 3.09Å; W331-C339 HydrophobicContact CE3-CB 3.74Å; W331-C339 HydrophobicContact CH2-CB 4.05Å; W331-C339 HydrophobicContact CZ3-CB 3.49Å; W331-C339 VanDerWaalsContact CZ3-CB 3.49Å
332	E	92.6	Very high	92.5	Very high	46 Å²	46	32.1 Å²	32.1	22%	0.215	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	137.6	167.1	-160.7	-174.3	-175.5	0	0	109.2	Y334 H335 R337 R338 I340	E332-Y334 WeakPolarHBondContact CG-O 3.08Å; E332-H335 WeakPolarHBondContact OE1-CB 2.96Å; E332-H335 IonicContact OE1-CD2 3.35Å; E332-H335 PolarHBondContact OE1-CD2 3.47Å; E332-H335 IonicContact OE1-CG 2.68Å; E332-R337 VanDerWaalsContact O-CA 3.25Å; E332-R337 WeakPolarHBondContact O-CA 3.24Å; E332-R338 PolarHBondContact N-O 2.86Å; E332-I340 HydrophobicContact CB-CD1 3.86Å; E332-I340 HydrophobicContact CB-CG1 4.07Å; E332-I340 HydrophobicContact CG-CD1 4.39Å
333	V	92.9	Very high	92.5	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.012	15%	0.154	C	C	.	.			trans	-96	-35.9	-178.8	-176.8	0	0	0	0	111.1	W311 H317 L319 R337 F588	W311-V333 HydrophobicContact CE3-CG2 4.26Å; W311-V333 HydrophobicContact CH2-CG1 4.29Å; W311-V333 HydrophobicContact CH2-CG2 4.46Å; W311-V333 HydrophobicContact CZ3-CB 4.42Å; W311-V333 HydrophobicContact CZ3-CG1 4.02Å; W311-V333 HydrophobicContact CZ3-CG2 3.52Å; H317-V333 VanDerWaalsContact O-CB 3.24Å; H317-V333 WeakPolarHBondContact O-CB 3.39Å; H317-V333 WeakPolarHBondContact O-CG2 3.37Å; H317-V333 PolarHBondContact O-N 2.8Å; L319-V333 HydrophobicContact CB-CG2 3.93Å; V333-R337 WeakPolarHBondContact O-CG 3.48Å; V333-F588 HydrophobicContact CG1-CE1 4.19Å; V333-F588 HydrophobicContact CG1-CE2 4.22Å; V333-F588 HydrophobicContact CG1-CZ 3.71Å
334	Y	89.7	Confident	92.5	Very high	19 Å²	19	34.4 Å²	34.4	8%	0.075	17%	0.167	C	C	.	.	S	Bend	trans	-95.6	175.7	178.3	-63.1	-72.2	0	0	0	111.2	P273 V276 L280 H317 E332 G336 R337 H570 E573	P273-Y334 HydrophobicContact CG-CD2 4.16Å; V276-Y334 HydrophobicContact CB-CD1 4.46Å; V276-Y334 HydrophobicContact CB-CE1 4.49Å; V276-Y334 HydrophobicContact CG1-CD1 3.81Å; V276-Y334 HydrophobicContact CG1-CE1 3.47Å; V276-Y334 VanDerWaalsContact CG1-CE1 3.47Å; V276-Y334 HydrophobicContact CG1-CE2 4.48Å; V276-Y334 HydrophobicContact CG1-CG 4.45Å; V276-Y334 HydrophobicContact CG2-CD1 3.7Å; V276-Y334 HydrophobicContact CG2-CD2 4.01Å; V276-Y334 HydrophobicContact CG2-CE1 4.16Å; V276-Y334 HydrophobicContact CG2-CE2 4.44Å; V276-Y334 HydrophobicContact CG2-CG 3.61Å; L280-Y334 HydrophobicContact CD1-CD2 4.23Å; L280-Y334 HydrophobicContact CD1-CE2 3.73Å; L280-Y334 HydrophobicContact CD2-CE2 4.02Å; L280-Y334 WeakPolarHBondContact CD2-OH 3.43Å; H317-Y334 HydrophobicContact CB-CD2 4.01Å; H317-Y334 HydrophobicContact CB-CE2 4.19Å; E332-Y334 WeakPolarHBondContact CG-O 3.08Å; Y334-G336 PolarHBondContact O-N 2.79Å; Y334-R337 PolarHBondContact O-N 3.23Å; Y334-H570 PolarHBondContact OH-CE1 3.36Å; Y334-H570 VanDerWaalsContact OH-CE1 3.23Å; Y334-H570 PolarHBondContact OH-NE2 2.82Å; Y334-E573 VanDerWaalsContact CE1-OE1 3.24Å; Y334-E573 WeakPolarHBondContact CE1-OE1 3.49Å; Y334-E573 PolarHBondContact OH-OE1 2.95Å
335	H	85.7	Confident	92.1	Very high	99 Å²	99	32.5 Å²	32.5	46%	0.458	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	-117	179.6	-41.4	-66.4	0	0	0	114.1	P273 D275 E332 R337	P273-H335 WeakPolarHBondContact CB-NE2 3.41Å; D275-H335 IonicContact OD1-CE1 3.82Å; D275-H335 PolarHBondContact OD1-CE1 3.38Å; D275-H335 VanDerWaalsContact OD1-CE1 3.23Å; D275-H335 IonicContact OD1-NE2 2.86Å; D275-H335 IonicContact OD2-CE1 3.21Å; D275-H335 PolarHBondContact OD2-CE1 3.41Å; D275-H335 IonicContact OD2-ND1 3.8Å; E332-H335 WeakPolarHBondContact OE1-CB 2.96Å; E332-H335 IonicContact OE1-CD2 3.35Å; E332-H335 PolarHBondContact OE1-CD2 3.47Å; E332-H335 IonicContact OE1-CG 2.68Å; H335-R337 VanDerWaalsContact C-N 3.31Å; H335-R337 PolarHBondContact O-N 3.41Å
336	G	83	Confident	92	Very high	37 Å²	37	31.1 Å²	31.1	38%	0.381	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-6.4	-173.9	0	0	0	0	0	114.4	Y334 R338	Y334-G336 PolarHBondContact O-N 2.79Å; G336-R338 WeakPolarHBondContact O-CG 3.49Å; G336-R338 PolarHBondContact O-N 3Å
337	R	89.6	Confident	91.9	Very high	71 Å²	71	37.7 Å²	37.7	27%	0.268	18%	0.176	S	C	.	.			trans	53.9	39.7	179	-57	180	-170.2	141.2	8.2	113.3	I296 H297 W299 E332 V333 Y334 H335	I296-R337 PolarHBondContact O-NH1 3.04Å; H297-R337 VanDerWaalsContact CB-CD 3.5Å; W299-R337 VanDerWaalsContact CD1-O 3.23Å; W299-R337 PolarHBondContact NE1-O 2.77Å; W299-R337 VanDerWaalsContact NE1-O 3.1Å; E332-R337 VanDerWaalsContact O-CA 3.25Å; E332-R337 WeakPolarHBondContact O-CA 3.24Å; V333-R337 WeakPolarHBondContact O-CG 3.48Å; Y334-R337 PolarHBondContact O-N 3.23Å; H335-R337 VanDerWaalsContact C-N 3.31Å; H335-R337 PolarHBondContact O-N 3.41Å
338	R	90.6	Very high	91.8	Very high	121 Å²	121	38.7 Å²	38.7	46%	0.457	18%	0.183	S	C	.	.			trans	-84.1	159.8	-169.6	-47.9	-176.1	-169.8	171.8	10.8	110.4	T257 W331 E332 G336 I340	T257-R338 PolarHBondContact OG1-NH1 3.3Å; W331-R338 WeakPolarHBondContact CA-O 3.09Å; E332-R338 PolarHBondContact N-O 2.86Å; G336-R338 WeakPolarHBondContact O-CG 3.49Å; G336-R338 PolarHBondContact O-N 3Å; R338-I340 PolarHBondContact O-N 2.81Å
339	C	91.8	Very high	91.7	Very high	23 Å²	23	39.6 Å²	39.6	16%	0.155	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	117.6	162	-172.3	0	0	0	0	107.2	H255 W331	H255-C339 WeakPolarHBondContact CB-O 3.35Å; W331-C339 HydrophobicContact CE3-CB 3.74Å; W331-C339 HydrophobicContact CH2-CB 4.05Å; W331-C339 HydrophobicContact CZ3-CB 3.49Å; W331-C339 VanDerWaalsContact CZ3-CB 3.49Å
340	I	91.1	Very high	91.7	Very high	18 Å²	18	38.3 Å²	38.3	9%	0.092	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	-50.7	-179.8	-63.2	165.5	0	0	0	109.6	H255 F269 L318 L330 E332 R338	H255-I340 PolarHBondContact N-O 3.41Å; F269-I340 HydrophobicContact CB-CD1 4.31Å; F269-I340 HydrophobicContact CB-CG2 4.33Å; F269-I340 HydrophobicContact CD1-CG2 3.65Å; F269-I340 HydrophobicContact CD2-CD1 4.25Å; F269-I340 HydrophobicContact CD2-CG2 3.86Å; F269-I340 HydrophobicContact CE1-CG2 3.83Å; F269-I340 HydrophobicContact CE2-CG2 4.04Å; F269-I340 HydrophobicContact CG-CD1 4.4Å; F269-I340 HydrophobicContact CG-CG2 3.66Å; F269-I340 HydrophobicContact CZ-CG2 4.02Å; L318-I340 HydrophobicContact CD2-CD1 3.41Å; L318-I340 VanDerWaalsContact CD2-CD1 3.41Å; L330-I340 PolarHBondContact O-N 2.89Å; E332-I340 HydrophobicContact CB-CD1 3.86Å; E332-I340 HydrophobicContact CB-CG1 4.07Å; E332-I340 HydrophobicContact CG-CD1 4.39Å; R338-I340 PolarHBondContact O-N 2.81Å
341	R	92.1	Very high	91.7	Very high	24 Å²	24	39.6 Å²	39.6	9%	0.091	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	140.5	-173.3	-161.8	164.2	-169.5	126.9	11.2	111.8	S252 T253 K329 L330 Y343 E377 T378	S252-R341 PolarHBondContact OG-NE 3.08Å; S252-R341 PolarHBondContact OG-NH2 2.88Å; T253-R341 WeakPolarHBondContact O-CA 3.47Å; K329-R341 WeakPolarHBondContact CA-O 3.41Å; L330-R341 HydrophobicContact CB-CB 4.42Å; L330-R341 PolarHBondContact N-O 2.93Å; L330-R341 PolarHBondContact O-N 3.36Å; R341-Y343 HydrophobicContact CB-CE2 4.25Å; R341-Y343 HydrophobicContact CG-CE1 4.5Å; R341-Y343 HydrophobicContact CG-CE2 4.3Å; R341-E377 PolarHBondContact NH1-O 2.81Å; R341-T378 VanDerWaalsContact CZ-C 3.43Å; R341-T378 PolarHBondContact NH1-O 2.91Å; R341-T378 PolarHBondContact NH2-O 3.06Å
342	T	94.5	Very high	91.7	Very high	4 Å²	4	39.5 Å²	39.5	3%	0.025	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	126.5	170.9	-55.4	0	0	0	0	109	S252 T253 H255 K327 V328 K329 V344	S252-T342 CarbonylContact C-O 3.52Å; S252-T342 VanDerWaalsContact CA-O 3.23Å; S252-T342 WeakPolarHBondContact CA-O 3.36Å; S252-T342 WeakPolarHBondContact CB-O 3.29Å; T253-T342 PolarHBondContact N-O 3.41Å; T253-T342 PolarHBondContact O-N 3.14Å; H255-T342 PolarHBondContact CD2-OG1 3.48Å; H255-T342 PolarHBondContact NE2-OG1 3.26Å; K327-T342 HydrophobicContact CB-CG2 4.26Å; K327-T342 HydrophobicContact CD-CG2 4.04Å; V328-T342 CarbonylContact O-C 3.53Å; V328-T342 WeakPolarHBondContact O-CA 3.5Å; K329-T342 WeakPolarHBondContact CE-OG1 3.48Å; K329-T342 HydrophobicContact CG-CG2 3.97Å; T342-V344 HydrophobicContact CG2-CG2 4.05Å
343	Y	95.1	Very high	91.8	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.008	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	128	174.5	-48.3	-102.9	0	0	0	108.9	K327 V328 L330 R341 F362 W374 T376	K327-Y343 WeakPolarHBondContact CA-O 3.14Å; V328-Y343 HydrophobicContact CB-CD2 4.09Å; V328-Y343 HydrophobicContact CG1-CD2 4.03Å; V328-Y343 PolarHBondContact N-O 2.71Å; V328-Y343 WeakPolarHBondContact O-CD2 3.32Å; V328-Y343 PolarHBondContact O-N 3.29Å; L330-Y343 HydrophobicContact CB-CE2 4.22Å; R341-Y343 HydrophobicContact CB-CE2 4.25Å; R341-Y343 HydrophobicContact CG-CE1 4.5Å; R341-Y343 HydrophobicContact CG-CE2 4.3Å; Y343-F362 HydrophobicContact CD1-CE1 4.05Å; Y343-F362 AromaticContact CD1-CZ 3.66Å; Y343-F362 HydrophobicContact CD1-CZ 3.66Å; Y343-F362 HydrophobicContact CD2-CE1 4.36Å; Y343-F362 AromaticContact CD2-CZ 3.74Å; Y343-F362 HydrophobicContact CD2-CZ 3.74Å; Y343-F362 AromaticContact CE1-CE1 3.49Å; Y343-F362 HydrophobicContact CE1-CE1 3.49Å; Y343-F362 VanDerWaalsContact CE1-CE1 3.49Å; Y343-F362 AromaticContact CE1-CZ 3.59Å; Y343-F362 HydrophobicContact CE1-CZ 3.59Å; Y343-F362 AromaticContact CE2-CE1 3.91Å; Y343-F362 HydrophobicContact CE2-CE1 3.91Å; Y343-F362 AromaticContact CE2-CZ 3.75Å; Y343-F362 HydrophobicContact CE2-CZ 3.75Å; Y343-F362 HydrophobicContact CG-CE1 4.45Å; Y343-F362 AromaticContact CG-CZ 3.73Å; Y343-F362 HydrophobicContact CG-CZ 3.73Å; Y343-F362 AromaticContact CZ-CE1 3.45Å; Y343-F362 VanDerWaalsContact CZ-CE1 3.45Å; Y343-F362 AromaticContact CZ-CZ 3.68Å; Y343-W374 HydrophobicContact CD1-CB 4.5Å; Y343-W374 HydrophobicContact CD1-CD2 4.17Å; Y343-W374 AromaticContact CD1-CE3 3.82Å; Y343-W374 HydrophobicContact CD1-CE3 3.82Å; Y343-W374 HydrophobicContact CD1-CG 4.48Å; Y343-W374 HydrophobicContact CD1-CZ3 4.41Å; Y343-T376 WeakPolarHBondContact OH-CA 3.35Å; Y343-T376 PolarHBondContact OH-O 3.31Å
344	V	93.7	Very high	91.9	Very high	46 Å²	46	38 Å²	38	28%	0.279	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	126.2	-178.1	-176	0	0	0	0	107.8	E250 T251 K327 T342	E250-V344 WeakPolarHBondContact CA-O 3.33Å; T251-V344 PolarHBondContact N-O 2.9Å; T251-V344 CarbonylContact O-C 3.48Å; T251-V344 WeakPolarHBondContact O-CA 3.29Å; T251-V344 PolarHBondContact O-N 2.94Å; K327-V344 HydrophobicContact CD-CG2 4.36Å; K327-V344 HydrophobicContact CG-CG2 4.3Å; T342-V344 HydrophobicContact CG2-CG2 4.05Å
345	G	88.5	Confident	92.2	Very high	8 Å²	8	37.9 Å²	37.9	8%	0.082	18%	0.184	C	C	.	.			trans	175.5	-18.2	-180	0	0	0	0	0	113.2	K372	G345-K372 PolarHBondContact O-NZ 2.84Å
346	H	92.4	Very high	92.6	Very high	15 Å²	15	33.9 Å²	33.9	7%	0.069	17%	0.166	C	C	.	.			trans	-83.1	135.1	171.6	-74.6	-65.5	0	0	0	111.1	V350 S364 S366 D368	H346-V350 HydrophobicContact CB-CG2 3.97Å; H346-S364 WeakPolarHBondContact NE2-CB 3.44Å; H346-S364 PolarHBondContact NE2-OG 2.82Å; H346-S366 VanDerWaalsContact CG-CB 3.5Å; H346-S366 WeakPolarHBondContact ND1-CB 3.3Å; H346-D368 WeakPolarHBondContact CA-OD2 3.4Å; H346-D368 WeakPolarHBondContact CB-OD2 3.27Å; H346-D368 IonicContact CG-OD2 3.9Å; H346-D368 IonicContact ND1-OD1 3.23Å; H346-D368 PolarHBondContact ND1-OD1 3Å; H346-D368 IonicContact ND1-OD2 3.37Å; H346-D368 PolarHBondContact ND1-OD2 2.96Å
347	R	89.8	Confident	93	Very high	141 Å²	141	34.6 Å²	34.6	53%	0.532	16%	0.161	S	C	.	.	S	Bend	trans	-77.7	-33.3	178	-177.9	-179.1	177.8	164.1	11.1	111.5	E245 D368	E245-R347 IonicContact OE2-CZ 2.75Å; E245-R347 IonicContact OE2-NH1 3.15Å; E245-R347 IonicContact OE2-NH2 3.42Å; E245-R347 PolarHBondContact OE2-NH2 2.84Å; R347-D368 HydrophobicContact CB-CB 4.22Å; R347-D368 PolarHBondContact N-OD2 2.75Å
348	M	93	Very high	93	Very high	98 Å²	98	33.8 Å²	33.8	48%	0.483	17%	0.17	S	C	.	.	S	Bend	trans	-115.6	179.5	-178.6	-60	-171.7	73	0	0	111.2	G326 S366 D368	G326-M348 WeakPolarHBondContact CA-O 3.44Å; M348-S366 PolarHBondContact O-OG 2.92Å; M348-D368 HydrophobicContact CB-CB 4.18Å; M348-D368 HydrophobicContact CG-CB 4.16Å
349	A	95.1	Very high	93.1	Very high	20 Å²	20	28 Å²	28	17%	0.165	15%	0.149	C	C	.	.			trans	-58.4	137.2	179.8	0	0	0	0	0	112.3	M324 S366 Y367	M324-A349 HydrophobicContact CB-CB 4.06Å; M324-A349 HydrophobicContact CG-CB 4.25Å; A349-S366 WeakPolarHBondContact O-CA 3.44Å; A349-S366 PolarHBondContact O-OG 2.77Å; A349-S366 VanDerWaalsContact O-OG 3.11Å; A349-Y367 HydrophobicContact CB-CD2 3.81Å; A349-Y367 HydrophobicContact CB-CE2 4.28Å; A349-Y367 VanDerWaalsContact O-CD2 3.25Å; A349-Y367 WeakPolarHBondContact O-CD2 3.49Å; A349-Y367 PolarHBondContact O-N 3.34Å; A349-Y367 VanDerWaalsContact O-N 3.07Å
350	V	95.9	Very high	93.1	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	125	174.2	-173.2	0	0	0	0	108.5	Q307 A322 G323 V328 H346 I353 A365	Q307-V350 WeakPolarHBondContact CB-O 3.46Å; Q307-V350 WeakPolarHBondContact CG-O 3.38Å; A322-V350 HydrophobicContact CB-CB 4.11Å; A322-V350 HydrophobicContact CB-CG1 3.95Å; G323-V350 PolarHBondContact O-N 2.86Å; V328-V350 HydrophobicContact CG2-CG1 4.17Å; V328-V350 HydrophobicContact CG2-CG2 4.1Å; H346-V350 HydrophobicContact CB-CG2 3.97Å; V350-I353 HydrophobicContact CG1-CD1 3.97Å; V350-I353 HydrophobicContact CG1-CG1 3.86Å; V350-A365 CarbonylContact C-O 3.59Å; V350-A365 WeakPolarHBondContact CA-O 3.33Å; V350-A365 VanDerWaalsContact CG1-O 3.26Å; V350-A365 WeakPolarHBondContact CG1-O 3.46Å
351	R	94.1	Very high	93.3	Very high	28 Å²	28	36.2 Å²	36.2	11%	0.106	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	-43.6	-172	179.6	57.8	-174.9	95.1	-2.1	113.9	A365 Y367 Y392	R351-A365 PolarHBondContact N-O 2.99Å; R351-Y367 HydrophobicContact CB-CE2 4.03Å; R351-Y367 WeakPolarHBondContact CD-OH 3.35Å; R351-Y367 HydrophobicContact CG-CE2 4.45Å; R351-Y392 HydrophobicContact CG-CD1 4.44Å; R351-Y392 WeakPolarHBondContact CG-O 3.46Å
352	D	94.3	Very high	93.5	Very high	8 Å²	8	35 Å²	35	4%	0.043	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	155.2	-178.6	-169.9	23.9	0	0	0	110.3	R310 A365 C393 I394	R310-D352 IonicContact CZ-OD1 3.79Å; R310-D352 IonicContact NE-OD1 3.2Å; R310-D352 IonicContact NH2-OD1 3.95Å; R310-D352 PolarHBondContact NH2-OD1 2.94Å; D352-A365 PolarHBondContact O-N 2.91Å; D352-C393 WeakPolarHBondContact OD2-CA 3.32Å; D352-I394 PolarHBondContact OD2-N 3.21Å
353	I	95.8	Very high	93.6	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	143.9	-179.3	-55.9	178.2	0	0	0	109.4	R310 L320 A322 V328 V350 F362 L363	R310-I353 WeakPolarHBondContact CG-O 3.23Å; R310-I353 PolarHBondContact NE-O 3.46Å; L320-I353 HydrophobicContact CD1-CG2 4Å; L320-I353 HydrophobicContact CD2-CB 3.86Å; L320-I353 HydrophobicContact CD2-CD1 3.27Å; L320-I353 HydrophobicContact CD2-CG1 4.12Å; L320-I353 HydrophobicContact CD2-CG2 3.31Å; L320-I353 HydrophobicContact CG-CG2 4.31Å; A322-I353 HydrophobicContact CB-CD1 3.28Å; A322-I353 HydrophobicContact CB-CG1 3.76Å; V328-I353 HydrophobicContact CB-CD1 4.14Å; V328-I353 HydrophobicContact CG1-CD1 3.57Å; V328-I353 HydrophobicContact CG2-CD1 3.54Å; V350-I353 HydrophobicContact CG1-CD1 3.97Å; V350-I353 HydrophobicContact CG1-CG1 3.86Å; I353-F362 HydrophobicContact CG2-CB 4.43Å; I353-F362 HydrophobicContact CG2-CD2 3.8Å; I353-F362 HydrophobicContact CG2-CG 4.5Å; I353-L363 VanDerWaalsContact CA-O 3.29Å; I353-L363 WeakPolarHBondContact CA-O 3.44Å; I353-L363 WeakPolarHBondContact CG2-O 3.37Å
354	C	95.4	Very high	93.7	Very high	15 Å²	15	34.8 Å²	34.8	10%	0.101	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	132.6	175.9	-166.4	0	0	0	0	110.8	F362 L363 I394 F396	C354-F362 CarbonylContact O-C 3.53Å; C354-F362 VanDerWaalsContact O-CA 3.22Å; C354-F362 WeakPolarHBondContact O-CA 3.19Å; C354-F362 WeakPolarHBondContact O-CB 3.39Å; C354-L363 PolarHBondContact N-O 2.7Å; C354-L363 VanDerWaalsContact N-O 3.08Å; C354-L363 PolarHBondContact O-N 3.01Å; C354-I394 WeakPolarHBondContact CB-O 3.25Å; C354-F396 HydrophobicContact CB-CD2 4.31Å
355	F	95	Very high	93.7	Very high	16 Å²	16	32.6 Å²	32.6	7%	0.07	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	153.6	166.4	-75.5	-73.1	0	0	0	110.8	R310 W311 F312 P313 L320 L330 F362 T376 F396	R310-F355 HydrophobicContact CB-CD2 4.03Å; R310-F355 HydrophobicContact CB-CE2 4.15Å; W311-F355 WeakPolarHBondContact O-CD2 3.47Å; F312-F355 HydrophobicContact CD2-CE1 4.12Å; F312-F355 HydrophobicContact CD2-CZ 4.08Å; F312-F355 HydrophobicContact CE2-CE1 4.42Å; P313-F355 HydrophobicContact CG-CB 4.28Å; L320-F355 HydrophobicContact CB-CE2 3.48Å; L320-F355 VanDerWaalsContact CB-CE2 3.48Å; L320-F355 HydrophobicContact CB-CZ 3.46Å; L320-F355 VanDerWaalsContact CB-CZ 3.46Å; L320-F355 HydrophobicContact CD1-CD1 4.38Å; L320-F355 HydrophobicContact CD1-CE1 3.58Å; L320-F355 HydrophobicContact CD1-CE2 3.84Å; L320-F355 HydrophobicContact CD1-CZ 3.28Å; L320-F355 HydrophobicContact CG-CE2 4.28Å; L320-F355 HydrophobicContact CG-CZ 3.98Å; L330-F355 HydrophobicContact CD1-CZ 4.09Å; F355-F362 HydrophobicContact CD1-CB 3.79Å; F355-F362 HydrophobicContact CE1-CB 4.19Å; F355-F362 HydrophobicContact CG-CB 4.41Å; F355-T376 HydrophobicContact CD1-CG2 4.18Å; F355-T376 HydrophobicContact CE1-CG2 3.7Å; F355-F396 VanDerWaalsContact C-CD2 3.44Å; F355-F396 VanDerWaalsContact O-CD2 3.27Å; F355-F396 WeakPolarHBondContact O-CD2 3.29Å
356	N	93.8	Very high	94.1	Very high	15 Å²	15	32.2 Å²	32.2	8%	0.08	15%	0.153	C	C	.	.			trans	-71.4	169.1	159.6	67	-7.8	0	0	0	110.4	P313 A358 G359 R360 E361 F396	P313-N356 WeakPolarHBondContact CG-O 3.08Å; N356-A358 VanDerWaalsContact C-N 3.32Å; N356-A358 PolarHBondContact O-N 3.42Å; N356-G359 PolarHBondContact O-N 2.78Å; N356-G359 VanDerWaalsContact O-N 3.14Å; N356-G359 WeakPolarHBondContact OD1-CA 3.48Å; N356-G359 PolarHBondContact OD1-N 2.96Å; N356-R360 PolarHBondContact OD1-N 3.3Å; N356-E361 VanDerWaalsContact CG-O 3.29Å; N356-E361 PolarHBondContact N-O 3.48Å; N356-E361 WeakPolarHBondContact ND2-CB 3.42Å; N356-E361 PolarHBondContact ND2-N 2.96Å; N356-E361 PolarHBondContact OD1-N 2.73Å; N356-E361 VanDerWaalsContact OD1-N 3.08Å; N356-E361 PolarHBondContact OD1-O 3.39Å; N356-F396 HydrophobicContact CB-CD1 4.46Å; N356-F396 HydrophobicContact CB-CD2 4.21Å; N356-F396 HydrophobicContact CB-CE1 4.38Å; N356-F396 HydrophobicContact CB-CE2 4.1Å; N356-F396 HydrophobicContact CB-CG 4.35Å; N356-F396 HydrophobicContact CB-CZ 4.17Å
357	N	91.3	Very high	94.2	Very high	52 Å²	52	35 Å²	35	28%	0.278	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-34.8	-176.5	-77.7	4.4	0	0	0	114.1	P313 G359 P398 Q403	P313-N357 VanDerWaalsContact CB-O 3.3Å; P313-N357 WeakPolarHBondContact CB-O 3.35Å; P313-N357 WeakPolarHBondContact CG-O 3.38Å; N357-G359 VanDerWaalsContact C-N 3.3Å; N357-P398 PolarHBondContact ND2-O 2.93Å; N357-Q403 PolarHBondContact ND2-NE2 3.05Å
358	A	90	Very high	94.2	Very high	55 Å²	55	28.9 Å²	28.9	46%	0.455	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-12.9	178.5	0	0	0	0	0	113.1	N356 R360	N356-A358 VanDerWaalsContact C-N 3.32Å; N356-A358 PolarHBondContact O-N 3.42Å; A358-R360 HydrophobicContact CB-CG 4.35Å; A358-R360 PolarHBondContact O-N 2.8Å
359	G	91.9	Very high	94.2	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.137	C	C	.	.	S	Bend	trans	77	-8.3	-175.5	0	0	0	0	0	115.9	M270 N356 N357 E361 T376	M270-G359 WeakPolarHBondContact CE-O 3.15Å; N356-G359 PolarHBondContact O-N 2.78Å; N356-G359 VanDerWaalsContact O-N 3.14Å; N356-G359 WeakPolarHBondContact OD1-CA 3.48Å; N356-G359 PolarHBondContact OD1-N 2.96Å; N357-G359 VanDerWaalsContact C-N 3.3Å; G359-E361 PolarHBondContact O-N 2.97Å; G359-T376 WeakPolarHBondContact O-CG2 3.26Å; G359-T376 PolarHBondContact O-OG1 2.93Å
360	R	93.4	Very high	94.2	Very high	173 Å²	173	29.7 Å²	29.7	65%	0.653	14%	0.136	S	C	*	.	S	Bend	trans	-63.4	-21.4	-178.8	-63.3	-176.8	-179.2	-179.1	-0.8	114.9	N356 A358 T376	N356-R360 PolarHBondContact OD1-N 3.3Å; A358-R360 HydrophobicContact CB-CG 4.35Å; A358-R360 PolarHBondContact O-N 2.8Å; R360-T376 WeakPolarHBondContact CA-OG1 3.25Å; R360-T376 PolarHBondContact O-N 2.87Å; R360-T376 VanDerWaalsContact O-N 3.1Å; R360-T376 PolarHBondContact O-OG1 2.77Å
361	E	95	Very high	94.1	Very high	39 Å²	39	29.8 Å²	29.8	18%	0.182	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	152.6	-177.8	-57.2	176.6	168.2	0	0	110	N356 G359 L373 W374 K382	N356-E361 VanDerWaalsContact CG-O 3.29Å; N356-E361 PolarHBondContact N-O 3.48Å; N356-E361 WeakPolarHBondContact ND2-CB 3.42Å; N356-E361 PolarHBondContact ND2-N 2.96Å; N356-E361 PolarHBondContact OD1-N 2.73Å; N356-E361 VanDerWaalsContact OD1-N 3.08Å; N356-E361 PolarHBondContact OD1-O 3.39Å; G359-E361 PolarHBondContact O-N 2.97Å; E361-L373 HydrophobicContact CB-CD1 3.93Å; E361-W374 CarbonylContact C-O 3.54Å; E361-W374 WeakPolarHBondContact CA-O 3.41Å; E361-K382 WeakPolarHBondContact OE1-CE 3.37Å; E361-K382 IonicContact OE1-NZ 3.57Å; E361-K382 PolarHBondContact OE1-NZ 2.98Å
362	F	96.5	Very high	94.2	Very high	0 Å²	0	29 Å²	29	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	152.3	170.5	70	-84.2	0	0	0	111.3	L320 V328 Y343 I353 C354 F355 W374 T376	L320-F362 HydrophobicContact CD1-CB 4.14Å; L320-F362 HydrophobicContact CD1-CD1 4.01Å; L320-F362 HydrophobicContact CD1-CD2 3.81Å; L320-F362 HydrophobicContact CD1-CE1 4.32Å; L320-F362 HydrophobicContact CD1-CE2 4.17Å; L320-F362 HydrophobicContact CD1-CG 3.71Å; L320-F362 HydrophobicContact CD1-CZ 4.38Å; V328-F362 HydrophobicContact CB-CE2 4.46Å; V328-F362 HydrophobicContact CG1-CE2 3.88Å; V328-F362 HydrophobicContact CG1-CZ 4.22Å; Y343-F362 HydrophobicContact CD1-CE1 4.05Å; Y343-F362 AromaticContact CD1-CZ 3.66Å; Y343-F362 HydrophobicContact CD1-CZ 3.66Å; Y343-F362 HydrophobicContact CD2-CE1 4.36Å; Y343-F362 AromaticContact CD2-CZ 3.74Å; Y343-F362 HydrophobicContact CD2-CZ 3.74Å; Y343-F362 AromaticContact CE1-CE1 3.49Å; Y343-F362 HydrophobicContact CE1-CE1 3.49Å; Y343-F362 VanDerWaalsContact CE1-CE1 3.49Å; Y343-F362 AromaticContact CE1-CZ 3.59Å; Y343-F362 HydrophobicContact CE1-CZ 3.59Å; Y343-F362 AromaticContact CE2-CE1 3.91Å; Y343-F362 HydrophobicContact CE2-CE1 3.91Å; Y343-F362 AromaticContact CE2-CZ 3.75Å; Y343-F362 HydrophobicContact CE2-CZ 3.75Å; Y343-F362 HydrophobicContact CG-CE1 4.45Å; Y343-F362 AromaticContact CG-CZ 3.73Å; Y343-F362 HydrophobicContact CG-CZ 3.73Å; Y343-F362 AromaticContact CZ-CE1 3.45Å; Y343-F362 VanDerWaalsContact CZ-CE1 3.45Å; Y343-F362 AromaticContact CZ-CZ 3.68Å; I353-F362 HydrophobicContact CG2-CB 4.43Å; I353-F362 HydrophobicContact CG2-CD2 3.8Å; I353-F362 HydrophobicContact CG2-CG 4.5Å; C354-F362 CarbonylContact O-C 3.53Å; C354-F362 VanDerWaalsContact O-CA 3.22Å; C354-F362 WeakPolarHBondContact O-CA 3.19Å; C354-F362 WeakPolarHBondContact O-CB 3.39Å; F355-F362 HydrophobicContact CD1-CB 3.79Å; F355-F362 HydrophobicContact CE1-CB 4.19Å; F355-F362 HydrophobicContact CG-CB 4.41Å; F362-W374 HydrophobicContact CD1-CB 3.73Å; F362-W374 HydrophobicContact CD2-CB 4.17Å; F362-W374 AromaticContact CD2-CD1 3.93Å; F362-W374 HydrophobicContact CD2-CG 4.34Å; F362-W374 HydrophobicContact CE1-CB 3.26Å; F362-W374 HydrophobicContact CE1-CG 4.01Å; F362-W374 HydrophobicContact CE2-CB 3.7Å; F362-W374 AromaticContact CE2-CD1 3.33Å; F362-W374 AromaticContact CE2-CG 3.61Å; F362-W374 HydrophobicContact CE2-CG 3.61Å; F362-W374 HydrophobicContact CG-CB 4.19Å; F362-W374 HydrophobicContact CZ-CB 3.24Å; F362-W374 AromaticContact CZ-CD1 3.68Å; F362-W374 HydrophobicContact CZ-CD2 4.27Å; F362-W374 AromaticContact CZ-CG 3.44Å; F362-W374 HydrophobicContact CZ-CG 3.44Å; F362-W374 VanDerWaalsContact CZ-CG 3.44Å; F362-W374 PolarHBondContact N-O 2.79Å; F362-W374 PolarHBondContact O-N 2.94Å; F362-T376 HydrophobicContact CD1-CG2 3.49Å; F362-T376 VanDerWaalsContact CD1-CG2 3.49Å; F362-T376 HydrophobicContact CE1-CG2 4.06Å
363	L	96.4	Very high	94.2	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	137.2	175.2	-71.7	163.9	0	0	0	110.1	I353 C354 V371 K372 L373 F385 I394 F396 F406	I353-L363 VanDerWaalsContact CA-O 3.29Å; I353-L363 WeakPolarHBondContact CA-O 3.44Å; I353-L363 WeakPolarHBondContact CG2-O 3.37Å; C354-L363 PolarHBondContact N-O 2.7Å; C354-L363 VanDerWaalsContact N-O 3.08Å; C354-L363 PolarHBondContact O-N 3.01Å; L363-V371 HydrophobicContact CB-CG1 4.39Å; L363-V371 HydrophobicContact CD2-CG1 3.85Å; L363-K372 WeakPolarHBondContact CA-O 3.46Å; L363-L373 HydrophobicContact CD2-CB 3.82Å; L363-L373 HydrophobicContact CD2-CD1 3.73Å; L363-L373 HydrophobicContact CD2-CG 4.38Å; L363-L373 HydrophobicContact CG-CD1 3.99Å; L363-F385 HydrophobicContact CD2-CE2 4.02Å; L363-I394 HydrophobicContact CB-CD1 4.16Å; L363-I394 HydrophobicContact CB-CG2 3.77Å; L363-I394 HydrophobicContact CD1-CG2 3.61Å; L363-I394 HydrophobicContact CG-CG2 4.33Å; L363-F396 HydrophobicContact CB-CE2 4.06Å; L363-F396 HydrophobicContact CB-CZ 4.45Å; L363-F396 HydrophobicContact CD1-CD1 4.11Å; L363-F396 HydrophobicContact CD1-CD2 3.86Å; L363-F396 HydrophobicContact CD1-CE1 3.66Å; L363-F396 HydrophobicContact CD1-CE2 3.4Å; L363-F396 VanDerWaalsContact CD1-CE2 3.4Å; L363-F396 HydrophobicContact CD1-CG 4.22Å; L363-F396 HydrophobicContact CD1-CZ 3.31Å; L363-F396 HydrophobicContact CD2-CZ 4.38Å; L363-F396 HydrophobicContact CG-CD2 4.36Å; L363-F396 HydrophobicContact CG-CE1 4.21Å; L363-F396 HydrophobicContact CG-CE2 3.48Å; L363-F396 VanDerWaalsContact CG-CE2 3.48Å; L363-F396 HydrophobicContact CG-CZ 3.4Å; L363-F396 VanDerWaalsContact CG-CZ 3.4Å; L363-F406 HydrophobicContact CD1-CB 3.62Å; L363-F406 HydrophobicContact CD1-CD1 3.73Å; L363-F406 HydrophobicContact CD1-CD2 3.5Å; L363-F406 VanDerWaalsContact CD1-CD2 3.5Å; L363-F406 HydrophobicContact CD1-CE1 4.22Å; L363-F406 HydrophobicContact CD1-CE2 4Å; L363-F406 HydrophobicContact CD1-CG 3.33Å; L363-F406 HydrophobicContact CD1-CZ 4.33Å; L363-F406 HydrophobicContact CD2-CE1 4.3Å; L363-F406 HydrophobicContact CD2-CE2 4.28Å; L363-F406 HydrophobicContact CD2-CZ 4.13Å
364	S	95.8	Very high	94.2	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	130.8	173.2	56.4	0	0	0	0	111.6	H346 V371 K372 W374 I394	H346-S364 WeakPolarHBondContact NE2-CB 3.44Å; H346-S364 PolarHBondContact NE2-OG 2.82Å; S364-V371 VanDerWaalsContact O-CA 3.3Å; S364-V371 WeakPolarHBondContact O-CA 3.5Å; S364-K372 PolarHBondContact N-O 2.95Å; S364-K372 PolarHBondContact O-N 3.34Å; S364-W374 PolarHBondContact OG-NE1 2.88Å; S364-I394 VanDerWaalsContact C-CD1 3.49Å
365	A	95.4	Very high	94.2	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	130.5	174.8	0	0	0	0	0	109.6	V350 R351 D352 P391 I394	V350-A365 CarbonylContact C-O 3.59Å; V350-A365 WeakPolarHBondContact CA-O 3.33Å; V350-A365 VanDerWaalsContact CG1-O 3.26Å; V350-A365 WeakPolarHBondContact CG1-O 3.46Å; R351-A365 PolarHBondContact N-O 2.99Å; D352-A365 PolarHBondContact O-N 2.91Å; A365-P391 HydrophobicContact CB-CB 3.94Å; A365-P391 HydrophobicContact CB-CG 3.81Å; A365-I394 HydrophobicContact CB-CD1 3.2Å; A365-I394 HydrophobicContact CB-CG1 3.64Å
366	S	95.1	Very high	94.1	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	157.4	178.2	172.6	0	0	0	0	112.3	H346 M348 A349 D368 R369 F370 P391	H346-S366 VanDerWaalsContact CG-CB 3.5Å; H346-S366 WeakPolarHBondContact ND1-CB 3.3Å; M348-S366 PolarHBondContact O-OG 2.92Å; A349-S366 WeakPolarHBondContact O-CA 3.44Å; A349-S366 PolarHBondContact O-OG 2.77Å; A349-S366 VanDerWaalsContact O-OG 3.11Å; S366-D368 WeakPolarHBondContact CB-OD1 3.03Å; S366-D368 PolarHBondContact O-N 2.82Å; S366-D368 VanDerWaalsContact O-N 3.11Å; S366-D368 PolarHBondContact OG-N 3.14Å; S366-D368 PolarHBondContact OG-OD1 3.08Å; S366-D368 PolarHBondContact OG-OD2 2.93Å; S366-D368 VanDerWaalsContact OG-OD2 3.12Å; S366-R369 PolarHBondContact O-N 3.38Å; S366-F370 PolarHBondContact N-O 3.09Å; S366-P391 WeakPolarHBondContact O-CD 3.38Å
367	Y	94.6	Very high	93.9	Very high	73 Å²	73	31.4 Å²	31.4	29%	0.286	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-9	172.4	-70.6	-77	0	0	0	113.7	A349 R351 R369 V390 Y392	A349-Y367 HydrophobicContact CB-CD2 3.81Å; A349-Y367 HydrophobicContact CB-CE2 4.28Å; A349-Y367 VanDerWaalsContact O-CD2 3.25Å; A349-Y367 WeakPolarHBondContact O-CD2 3.49Å; A349-Y367 PolarHBondContact O-N 3.34Å; A349-Y367 VanDerWaalsContact O-N 3.07Å; R351-Y367 HydrophobicContact CB-CE2 4.03Å; R351-Y367 WeakPolarHBondContact CD-OH 3.35Å; R351-Y367 HydrophobicContact CG-CE2 4.45Å; Y367-R369 PolarHBondContact O-N 3.14Å; Y367-V390 HydrophobicContact CD1-CG1 3.57Å; Y367-V390 HydrophobicContact CE1-CG1 4.03Å; Y367-V390 HydrophobicContact CG-CG1 4.4Å; Y367-Y392 HydrophobicContact CE1-CE1 4.03Å
368	D	91.4	Very high	93.8	Very high	13 Å²	13	31.8 Å²	31.8	7%	0.07	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	1	172.9	60.8	20.4	0	0	0	114.1	H346 R347 M348 S366 F370	H346-D368 WeakPolarHBondContact CA-OD2 3.4Å; H346-D368 WeakPolarHBondContact CB-OD2 3.27Å; H346-D368 IonicContact CG-OD2 3.9Å; H346-D368 IonicContact ND1-OD1 3.23Å; H346-D368 PolarHBondContact ND1-OD1 3Å; H346-D368 IonicContact ND1-OD2 3.37Å; H346-D368 PolarHBondContact ND1-OD2 2.96Å; R347-D368 HydrophobicContact CB-CB 4.22Å; R347-D368 PolarHBondContact N-OD2 2.75Å; M348-D368 HydrophobicContact CB-CB 4.18Å; M348-D368 HydrophobicContact CG-CB 4.16Å; S366-D368 WeakPolarHBondContact CB-OD1 3.03Å; S366-D368 PolarHBondContact O-N 2.82Å; S366-D368 VanDerWaalsContact O-N 3.11Å; S366-D368 PolarHBondContact OG-N 3.14Å; S366-D368 PolarHBondContact OG-OD1 3.08Å; S366-D368 PolarHBondContact OG-OD2 2.93Å; S366-D368 VanDerWaalsContact OG-OD2 3.12Å; D368-F370 VanDerWaalsContact C-N 3.26Å; D368-F370 HydrophobicContact CB-CD2 4.38Å; D368-F370 WeakPolarHBondContact O-CD2 3.22Å; D368-F370 WeakPolarHBondContact OD1-CB 3.37Å; D368-F370 PolarHBondContact OD1-N 3.23Å
369	R	93.2	Very high	93.8	Very high	102 Å²	102	29.3 Å²	29.3	39%	0.385	13%	0.128	S	C	.	.	S	Bend	trans	75	10.9	179.7	-47.9	165.5	-66.9	-161.3	4.5	114.1	E246 S366 Y367 G388 K389 V390	E246-R369 IonicContact OE1-NH2 3.69Å; E246-R369 PolarHBondContact OE1-NH2 2.86Å; S366-R369 PolarHBondContact O-N 3.38Å; Y367-R369 PolarHBondContact O-N 3.14Å; R369-G388 WeakPolarHBondContact CD-O 3.15Å; R369-K389 WeakPolarHBondContact CA-O 2.94Å; R369-K389 WeakPolarHBondContact CB-O 3.44Å; R369-V390 HydrophobicContact CG-CG2 4.21Å
370	F	93.6	Very high	93.8	Very high	33 Å²	33	35.7 Å²	35.7	15%	0.145	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	141.8	174.3	-67.3	-82.4	0	0	0	111.3	S366 D368 F385	S366-F370 PolarHBondContact N-O 3.09Å; D368-F370 VanDerWaalsContact C-N 3.26Å; D368-F370 HydrophobicContact CB-CD2 4.38Å; D368-F370 WeakPolarHBondContact O-CD2 3.22Å; D368-F370 WeakPolarHBondContact OD1-CB 3.37Å; D368-F370 PolarHBondContact OD1-N 3.23Å; F370-F385 WeakPolarHBondContact CA-O 3.48Å
371	V	95.2	Very high	93.8	Very high	3 Å²	3	28.7 Å²	28.7	2%	0.018	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	129	159.2	177.5	0	0	0	0	107.1	L363 S364 F385 P391 I394 F406 V408	L363-V371 HydrophobicContact CB-CG1 4.39Å; L363-V371 HydrophobicContact CD2-CG1 3.85Å; S364-V371 VanDerWaalsContact O-CA 3.3Å; S364-V371 WeakPolarHBondContact O-CA 3.5Å; V371-F385 HydrophobicContact CB-CB 4.28Å; V371-F385 HydrophobicContact CB-CD2 4.25Å; V371-F385 HydrophobicContact CG1-CD2 4.13Å; V371-F385 PolarHBondContact N-O 2.75Å; V371-F385 WeakPolarHBondContact O-CD2 3.38Å; V371-F385 PolarHBondContact O-N 3.03Å; V371-P391 HydrophobicContact CG2-CB 3.8Å; V371-P391 HydrophobicContact CG2-CG 3.74Å; V371-I394 HydrophobicContact CB-CD1 4.28Å; V371-I394 HydrophobicContact CG1-CD1 3.49Å; V371-I394 VanDerWaalsContact CG1-CD1 3.49Å; V371-I394 HydrophobicContact CG1-CG1 4.43Å; V371-I394 HydrophobicContact CG2-CD1 3.91Å; V371-I394 HydrophobicContact CG2-CG1 4.41Å; V371-F406 HydrophobicContact CG1-CE2 4.23Å; V371-V408 HydrophobicContact CG2-CG1 4.06Å; V371-V408 HydrophobicContact CG2-CG2 4.21Å
372	K	94.8	Very high	93.6	Very high	12 Å²	12	31.8 Å²	31.8	5%	0.052	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	133.9	179.8	-66.2	-174.4	-177.2	-156.3	0	109.9	E250 G345 L363 S364 W374	E250-K372 HydrophobicContact CG-CD 4.45Å; E250-K372 WeakPolarHBondContact OE1-CD 3.21Å; E250-K372 VanDerWaalsContact OE1-CE 3.22Å; E250-K372 WeakPolarHBondContact OE1-CE 3.35Å; E250-K372 IonicContact OE1-NZ 3.46Å; E250-K372 PolarHBondContact OE1-NZ 3.07Å; G345-K372 PolarHBondContact O-NZ 2.84Å; L363-K372 WeakPolarHBondContact CA-O 3.46Å; S364-K372 PolarHBondContact N-O 2.95Å; S364-K372 PolarHBondContact O-N 3.34Å; K372-W374 HydrophobicContact CB-CZ2 4.18Å; K372-W374 HydrophobicContact CD-CZ2 3.75Å
373	L	95.6	Very high	93.4	Very high	4 Å²	4	34.3 Å²	34.3	2%	0.021	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	120.7	171	-179.9	66.2	0	0	0	108.6	E361 L363 C381 K382 E383 F385 F396	E361-L373 HydrophobicContact CB-CD1 3.93Å; L363-L373 HydrophobicContact CD2-CB 3.82Å; L363-L373 HydrophobicContact CD2-CD1 3.73Å; L363-L373 HydrophobicContact CD2-CG 4.38Å; L363-L373 HydrophobicContact CG-CD1 3.99Å; L373-C381 CarbonylContact O-C 3.53Å; L373-C381 WeakPolarHBondContact O-CA 3.32Å; L373-K382 HydrophobicContact CD2-CB 4.11Å; L373-K382 HydrophobicContact CD2-CD 4.4Å; L373-K382 HydrophobicContact CG-CB 4.22Å; L373-K382 PolarHBondContact O-N 3.48Å; L373-E383 HydrophobicContact CB-CB 4.41Å; L373-E383 PolarHBondContact N-O 3.02Å; L373-F385 HydrophobicContact CB-CE2 3.98Å; L373-F396 HydrophobicContact CD1-CZ 3.81Å
374	W	95.5	Very high	93.2	Very high	2 Å²	2	40.9 Å²	40.9	1%	0.008	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	141.7	-178.2	-61.5	91.6	0	0	0	110.3	E250 Y343 E361 F362 S364 K372 Q380 C381	E250-W374 HydrophobicContact CB-CH2 4.03Å; E250-W374 HydrophobicContact CB-CZ3 4.35Å; E250-W374 HydrophobicContact CG-CH2 4.13Å; Y343-W374 HydrophobicContact CD1-CB 4.5Å; Y343-W374 HydrophobicContact CD1-CD2 4.17Å; Y343-W374 AromaticContact CD1-CE3 3.82Å; Y343-W374 HydrophobicContact CD1-CE3 3.82Å; Y343-W374 HydrophobicContact CD1-CG 4.48Å; Y343-W374 HydrophobicContact CD1-CZ3 4.41Å; E361-W374 CarbonylContact C-O 3.54Å; E361-W374 WeakPolarHBondContact CA-O 3.41Å; F362-W374 HydrophobicContact CD1-CB 3.73Å; F362-W374 HydrophobicContact CD2-CB 4.17Å; F362-W374 AromaticContact CD2-CD1 3.93Å; F362-W374 HydrophobicContact CD2-CG 4.34Å; F362-W374 HydrophobicContact CE1-CB 3.26Å; F362-W374 HydrophobicContact CE1-CG 4.01Å; F362-W374 HydrophobicContact CE2-CB 3.7Å; F362-W374 AromaticContact CE2-CD1 3.33Å; F362-W374 AromaticContact CE2-CG 3.61Å; F362-W374 HydrophobicContact CE2-CG 3.61Å; F362-W374 HydrophobicContact CG-CB 4.19Å; F362-W374 HydrophobicContact CZ-CB 3.24Å; F362-W374 AromaticContact CZ-CD1 3.68Å; F362-W374 HydrophobicContact CZ-CD2 4.27Å; F362-W374 AromaticContact CZ-CG 3.44Å; F362-W374 HydrophobicContact CZ-CG 3.44Å; F362-W374 VanDerWaalsContact CZ-CG 3.44Å; F362-W374 PolarHBondContact N-O 2.79Å; F362-W374 PolarHBondContact O-N 2.94Å; S364-W374 PolarHBondContact OG-NE1 2.88Å; K372-W374 HydrophobicContact CB-CZ2 4.18Å; K372-W374 HydrophobicContact CD-CZ2 3.75Å; W374-Q380 WeakPolarHBondContact CA-O 3.37Å; W374-C381 HydrophobicContact CD2-CB 4.42Å; W374-C381 HydrophobicContact CE3-CB 3.92Å; W374-C381 HydrophobicContact CH2-CB 4.15Å; W374-C381 HydrophobicContact CZ3-CB 3.77Å
375	D	94.6	Very high	93.1	Very high	26 Å²	26	41 Å²	41	14%	0.139	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	126.9	161.2	-171.9	-18.5	0	0	0	109.3	E377 T378 G379 Q380 K382	D375-E377 PolarHBondContact OD1-N 3.17Å; D375-T378 WeakPolarHBondContact CB-OG1 3.34Å; D375-T378 WeakPolarHBondContact OD2-CG2 3.47Å; D375-T378 PolarHBondContact OD2-OG1 3.17Å; D375-G379 WeakPolarHBondContact O-CA 3.43Å; D375-G379 PolarHBondContact O-N 3.19Å; D375-Q380 PolarHBondContact N-O 2.63Å; D375-K382 HydrophobicContact CB-CG 4.46Å
376	T	93	Very high	92.8	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-35.6	179.8	45.8	0	0	0	0	113.7	F269 M270 Y343 F355 G359 R360 F362	F269-T376 WeakPolarHBondContact CZ-O 3.29Å; M270-T376 HydrophobicContact CE-CG2 4.13Å; M270-T376 WeakPolarHBondContact CE-OG1 3.41Å; Y343-T376 WeakPolarHBondContact OH-CA 3.35Å; Y343-T376 PolarHBondContact OH-O 3.31Å; F355-T376 HydrophobicContact CD1-CG2 4.18Å; F355-T376 HydrophobicContact CE1-CG2 3.7Å; G359-T376 WeakPolarHBondContact O-CG2 3.26Å; G359-T376 PolarHBondContact O-OG1 2.93Å; R360-T376 WeakPolarHBondContact CA-OG1 3.25Å; R360-T376 PolarHBondContact O-N 2.87Å; R360-T376 VanDerWaalsContact O-N 3.1Å; R360-T376 PolarHBondContact O-OG1 2.77Å; F362-T376 HydrophobicContact CD1-CG2 3.49Å; F362-T376 VanDerWaalsContact CD1-CG2 3.49Å; F362-T376 HydrophobicContact CE1-CG2 4.06Å
377	E	90.4	Very high	92.1	Very high	73 Å²	73	46.6 Å²	46.6	34%	0.341	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-56.5	-173.2	-70.2	-172.2	159.3	0	0	110.2	S268 M270 R341 D375 G379	S268-E377 WeakPolarHBondContact CB-OE1 3.45Å; S268-E377 PolarHBondContact OG-OE1 2.79Å; M270-E377 HydrophobicContact CE-CG 4.5Å; M270-E377 HydrophobicContact CG-CG 3.34Å; M270-E377 VanDerWaalsContact CG-OE1 3.24Å; M270-E377 WeakPolarHBondContact CG-OE1 3.36Å; M270-E377 HydrophobicContact SD-CG 4.17Å; R341-E377 PolarHBondContact NH1-O 2.81Å; D375-E377 PolarHBondContact OD1-N 3.17Å; E377-G379 VanDerWaalsContact C-N 3.34Å
378	T	89	Confident	91.8	Very high	60 Å²	60	45 Å²	45	37%	0.368	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-21.9	-175.5	67.5	0	0	0	0	112.5	R341 D375 Q380	R341-T378 VanDerWaalsContact CZ-C 3.43Å; R341-T378 PolarHBondContact NH1-O 2.91Å; R341-T378 PolarHBondContact NH2-O 3.06Å; D375-T378 WeakPolarHBondContact CB-OG1 3.34Å; D375-T378 WeakPolarHBondContact OD2-CG2 3.47Å; D375-T378 PolarHBondContact OD2-OG1 3.17Å; T378-Q380 PolarHBondContact O-N 2.85Å; T378-Q380 PolarHBondContact OG1-N 3.25Å
379	G	89.8	Confident	91.9	Very high	2 Å²	2	48.3 Å²	48.3	2%	0.021	24%	0.24	C	C	.	.			trans	65.3	17.8	-175.6	0	0	0	0	0	115.5	S252 D375 E377	S252-G379 VanDerWaalsContact CB-O 3.29Å; S252-G379 WeakPolarHBondContact CB-O 3.43Å; S252-G379 VanDerWaalsContact OG-C 3.24Å; S252-G379 VanDerWaalsContact OG-CA 3.29Å; S252-G379 WeakPolarHBondContact OG-CA 3.47Å; S252-G379 PolarHBondContact OG-O 2.88Å; D375-G379 WeakPolarHBondContact O-CA 3.43Å; D375-G379 PolarHBondContact O-N 3.19Å; E377-G379 VanDerWaalsContact C-N 3.34Å
380	Q	91.7	Very high	91.9	Very high	134 Å²	134	44.4 Å²	44.4	63%	0.626	23%	0.227	S	C	*	.			trans	-79.8	142.8	173.8	-63.4	-179	1.3	0	0	109.8	W374 D375 T378 K382	W374-Q380 WeakPolarHBondContact CA-O 3.37Å; D375-Q380 PolarHBondContact N-O 2.63Å; T378-Q380 PolarHBondContact O-N 2.85Å; T378-Q380 PolarHBondContact OG1-N 3.25Å; Q380-K382 PolarHBondContact O-N 2.69Å
381	C	92.5	Very high	92	Very high	27 Å²	27	42.8 Å²	42.8	18%	0.182	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	113.4	167.3	-173.7	0	0	0	0	107.2	E250 L373 W374	E250-C381 HydrophobicContact CB-CB 4.13Å; E250-C381 HydrophobicContact CG-CB 4.18Å; E250-C381 PolarHBondContact OE1-SG 3.37Å; E250-C381 VanDerWaalsContact OE1-SG 3.42Å; E250-C381 WeakPolarHBondContact OE2-CB 3.5Å; E250-C381 PolarHBondContact OE2-SG 2.94Å; E250-C381 VanDerWaalsContact OE2-SG 3.33Å; L373-C381 CarbonylContact O-C 3.53Å; L373-C381 WeakPolarHBondContact O-CA 3.32Å; W374-C381 HydrophobicContact CD2-CB 4.42Å; W374-C381 HydrophobicContact CE3-CB 3.92Å; W374-C381 HydrophobicContact CH2-CB 4.15Å; W374-C381 HydrophobicContact CZ3-CB 3.77Å
382	K	92.2	Very high	92	Very high	103 Å²	103	45.1 Å²	45.1	45%	0.448	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	-50.8	179.4	-65.2	-167.7	-179.8	-168.7	0	110.6	E361 L373 D375 Q380	E361-K382 WeakPolarHBondContact OE1-CE 3.37Å; E361-K382 IonicContact OE1-NZ 3.57Å; E361-K382 PolarHBondContact OE1-NZ 2.98Å; L373-K382 HydrophobicContact CD2-CB 4.11Å; L373-K382 HydrophobicContact CD2-CD 4.4Å; L373-K382 HydrophobicContact CG-CB 4.22Å; L373-K382 PolarHBondContact O-N 3.48Å; D375-K382 HydrophobicContact CB-CG 4.46Å; Q380-K382 PolarHBondContact O-N 2.69Å
383	E	92.1	Very high	91.9	Very high	54 Å²	54	44.7 Å²	44.7	25%	0.252	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	155.9	-176.3	-67.3	-162.4	162.3	0	0	112.2	L373 F385	L373-E383 HydrophobicContact CB-CB 4.41Å; L373-E383 PolarHBondContact N-O 3.02Å; E383-F385 HydrophobicContact CB-CE1 4.3Å; E383-F385 HydrophobicContact CB-CE2 4.13Å; E383-F385 HydrophobicContact CB-CZ 3.75Å; E383-F385 WeakPolarHBondContact OE2-CE1 3.44Å; E383-F385 WeakPolarHBondContact OE2-CZ 3.08Å
384	R	91.8	Very high	91.9	Very high	137 Å²	137	44.5 Å²	44.5	52%	0.517	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	126.3	175.5	59.4	-179.8	80.7	143.4	3.6	109.2	E250	E250-R384 IonicContact OE1-NE 3.11Å; E250-R384 IonicContact OE2-NH2 3.49Å
385	F	93	Very high	91.8	Very high	4 Å²	4	46.5 Å²	46.5	2%	0.018	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	132.7	176.1	-44.3	-86.3	0	0	0	108.8	L363 F370 V371 L373 E383 F406 Y418 A423	L363-F385 HydrophobicContact CD2-CE2 4.02Å; F370-F385 WeakPolarHBondContact CA-O 3.48Å; V371-F385 HydrophobicContact CB-CB 4.28Å; V371-F385 HydrophobicContact CB-CD2 4.25Å; V371-F385 HydrophobicContact CG1-CD2 4.13Å; V371-F385 PolarHBondContact N-O 2.75Å; V371-F385 WeakPolarHBondContact O-CD2 3.38Å; V371-F385 PolarHBondContact O-N 3.03Å; L373-F385 HydrophobicContact CB-CE2 3.98Å; E383-F385 HydrophobicContact CB-CE1 4.3Å; E383-F385 HydrophobicContact CB-CE2 4.13Å; E383-F385 HydrophobicContact CB-CZ 3.75Å; E383-F385 WeakPolarHBondContact OE2-CE1 3.44Å; E383-F385 WeakPolarHBondContact OE2-CZ 3.08Å; F385-F406 HydrophobicContact CD1-CZ 4.07Å; F385-F406 HydrophobicContact CD2-CE1 4.38Å; F385-F406 HydrophobicContact CD2-CE2 4.33Å; F385-F406 AromaticContact CD2-CZ 3.54Å; F385-F406 HydrophobicContact CD2-CZ 3.54Å; F385-F406 HydrophobicContact CE1-CE1 4.18Å; F385-F406 HydrophobicContact CE1-CZ 4Å; F385-F406 AromaticContact CE2-CE1 3.86Å; F385-F406 HydrophobicContact CE2-CE1 3.86Å; F385-F406 AromaticContact CE2-CZ 3.46Å; F385-F406 HydrophobicContact CE2-CZ 3.46Å; F385-F406 VanDerWaalsContact CE2-CZ 3.46Å; F385-F406 AromaticContact CG-CZ 3.85Å; F385-F406 HydrophobicContact CG-CZ 3.85Å; F385-F406 AromaticContact CZ-CE1 3.76Å; F385-F406 HydrophobicContact CZ-CE1 3.76Å; F385-F406 AromaticContact CZ-CZ 3.71Å; F385-F406 HydrophobicContact CZ-CZ 3.71Å; F385-Y418 HydrophobicContact CB-CD1 4.35Å; F385-Y418 HydrophobicContact CB-CE1 4.14Å; F385-Y418 AromaticContact CD1-CD1 3.88Å; F385-Y418 HydrophobicContact CD1-CD1 3.88Å; F385-Y418 HydrophobicContact CD1-CE1 4.34Å; F385-Y418 HydrophobicContact CD1-CG 4.4Å; F385-Y418 HydrophobicContact CG-CD1 4.37Å; F385-A423 HydrophobicContact CD1-CB 3.96Å; F385-A423 HydrophobicContact CE1-CB 3.77Å
386	T	89.4	Confident	91.8	Very high	79 Å²	79	45.6 Å²	45.6	49%	0.485	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	136.8	175	-170	0	0	0	0	110.2	G388 Y418	T386-G388 PolarHBondContact OG1-N 3.37Å; T386-Y418 PolarHBondContact O-OH 3.49Å
387	T	80.2	Confident	91.9	Very high	37 Å²	37	45.6 Å²	45.6	23%	0.227	23%	0.23	C	C	.	.			trans	-106.7	-8.3	173.4	60.2	0	0	0	0	111.1	K389 T410 L416 Y418	T387-K389 PolarHBondContact O-N 2.83Å; T387-K389 PolarHBondContact OG1-N 3.13Å; T387-K389 PolarHBondContact OG1-O 2.88Å; T387-T410 HydrophobicContact CG2-CG2 4.06Å; T387-L416 HydrophobicContact CG2-CD1 3.39Å; T387-Y418 HydrophobicContact CG2-CE2 4.01Å; T387-Y418 WeakPolarHBondContact CG2-OH 3.38Å
388	G	87.8	Confident	91.9	Very high	41 Å²	41	43.6 Å²	43.6	42%	0.423	22%	0.223	S	C	.	.	S	Bend	trans	72.7	-1.6	-163.5	0	0	0	0	0	114.2	R369 T386	R369-G388 WeakPolarHBondContact CD-O 3.15Å; T386-G388 PolarHBondContact OG1-N 3.37Å
389	K	93.5	Very high	92	Very high	82 Å²	82	42.4 Å²	42.4	36%	0.357	21%	0.214	S	C	.	.	S	Bend	trans	-132.5	163.1	-172.2	-55.6	-66	-179.8	117.3	0	111.1	R369 T387 P391 D412	R369-K389 WeakPolarHBondContact CA-O 2.94Å; R369-K389 WeakPolarHBondContact CB-O 3.44Å; T387-K389 PolarHBondContact O-N 2.83Å; T387-K389 PolarHBondContact OG1-N 3.13Å; T387-K389 PolarHBondContact OG1-O 2.88Å; K389-P391 VanDerWaalsContact O-CD 3.24Å; K389-P391 WeakPolarHBondContact O-CD 3.15Å; K389-D412 HydrophobicContact CB-CB 4.49Å; K389-D412 VanDerWaalsContact CD-CG 3.49Å; K389-D412 WeakPolarHBondContact CD-OD1 3.46Å; K389-D412 WeakPolarHBondContact CD-OD2 3.41Å; K389-D412 WeakPolarHBondContact CE-OD1 3.49Å; K389-D412 WeakPolarHBondContact CE-OD2 3.4Å; K389-D412 HydrophobicContact CG-CB 4.13Å; K389-D412 WeakPolarHBondContact CG-OD1 3.36Å; K389-D412 VanDerWaalsContact CG-OD2 3.23Å; K389-D412 WeakPolarHBondContact CG-OD2 3.45Å; K389-D412 IonicContact NZ-OD1 3.53Å; K389-D412 PolarHBondContact NZ-OD1 3.16Å; K389-D412 IonicContact NZ-OD2 3.09Å; K389-D412 PolarHBondContact NZ-OD2 2.88Å
390	V	94.9	Very high	92	Very high	19 Å²	19	50.3 Å²	50.3	12%	0.115	25%	0.251	C	S	.	.			trans	-75.6	122.3	-177.1	175.7	0	0	0	0	110	Y367 R369 Y392 Q411	Y367-V390 HydrophobicContact CD1-CG1 3.57Å; Y367-V390 HydrophobicContact CE1-CG1 4.03Å; Y367-V390 HydrophobicContact CG-CG1 4.4Å; R369-V390 HydrophobicContact CG-CG2 4.21Å; V390-Y392 HydrophobicContact CG1-CE1 4.39Å; V390-Q411 HydrophobicContact CB-CB 4.38Å; V390-Q411 PolarHBondContact O-N 3.43Å
391	P	95.8	Very high	92	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	129	167.5	33.5	-34.8	0	0	0	110.5	A365 S366 V371 K389 V408	A365-P391 HydrophobicContact CB-CB 3.94Å; A365-P391 HydrophobicContact CB-CG 3.81Å; S366-P391 WeakPolarHBondContact O-CD 3.38Å; V371-P391 HydrophobicContact CG2-CB 3.8Å; V371-P391 HydrophobicContact CG2-CG 3.74Å; K389-P391 VanDerWaalsContact O-CD 3.24Å; K389-P391 WeakPolarHBondContact O-CD 3.15Å; P391-V408 HydrophobicContact CB-CG1 3.5Å; P391-V408 VanDerWaalsContact CB-CG1 3.5Å
392	Y	94	Very high	91.9	Very high	51 Å²	51	50.8 Å²	50.8	20%	0.2	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	-39.3	177.9	-77.6	-64.2	0	0	0	113.2	R351 Y367 V390 G409 Q411 A435 V436	R351-Y392 HydrophobicContact CG-CD1 4.44Å; R351-Y392 WeakPolarHBondContact CG-O 3.46Å; Y367-Y392 HydrophobicContact CE1-CE1 4.03Å; V390-Y392 HydrophobicContact CG1-CE1 4.39Å; Y392-G409 PolarHBondContact N-O 2.88Å; Y392-Q411 HydrophobicContact CD2-CB 4.32Å; Y392-Q411 HydrophobicContact CE2-CB 3.65Å; Y392-Q411 HydrophobicContact CE2-CG 3.98Å; Y392-A435 HydrophobicContact CD2-CB 3.94Å; Y392-A435 HydrophobicContact CE2-CB 3.58Å; Y392-V436 WeakPolarHBondContact CB-O 3.47Å
393	C	92.7	Very high	91.9	Very high	3 Å²	3	47.6 Å²	47.6	2%	0.02	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	149	-179.5	59.8	0	0	0	0	111.6	D352 V408 G409 N437	D352-C393 WeakPolarHBondContact OD2-CA 3.32Å; C393-V408 WeakPolarHBondContact O-CA 3.32Å; C393-G409 PolarHBondContact O-N 2.97Å; C393-N437 WeakPolarHBondContact CB-O 3.48Å
394	I	95.3	Very high	92	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	137.6	175.2	-57.2	167.3	0	0	0	109.5	D352 C354 L363 S364 A365 V371 F406 L407 V408	D352-I394 PolarHBondContact OD2-N 3.21Å; C354-I394 WeakPolarHBondContact CB-O 3.25Å; L363-I394 HydrophobicContact CB-CD1 4.16Å; L363-I394 HydrophobicContact CB-CG2 3.77Å; L363-I394 HydrophobicContact CD1-CG2 3.61Å; L363-I394 HydrophobicContact CG-CG2 4.33Å; S364-I394 VanDerWaalsContact C-CD1 3.49Å; A365-I394 HydrophobicContact CB-CD1 3.2Å; A365-I394 HydrophobicContact CB-CG1 3.64Å; V371-I394 HydrophobicContact CB-CD1 4.28Å; V371-I394 HydrophobicContact CG1-CD1 3.49Å; V371-I394 VanDerWaalsContact CG1-CD1 3.49Å; V371-I394 HydrophobicContact CG1-CG1 4.43Å; V371-I394 HydrophobicContact CG2-CD1 3.91Å; V371-I394 HydrophobicContact CG2-CG1 4.41Å; I394-F406 HydrophobicContact CG2-CD2 4.2Å; I394-L407 WeakPolarHBondContact CA-O 3.47Å; I394-V408 HydrophobicContact CG1-CG2 4.41Å
395	K	94.7	Very high	92.1	Very high	44 Å²	44	40.6 Å²	40.6	19%	0.191	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	128.7	168.4	-67.4	-65.4	176.9	-174.5	0	111.1	F406 L407 V439 F441	K395-F406 CarbonylContact O-C 3.57Å; K395-F406 WeakPolarHBondContact O-CA 3.28Å; K395-F406 WeakPolarHBondContact O-CB 3.21Å; K395-L407 PolarHBondContact N-O 3.07Å; K395-L407 PolarHBondContact O-N 2.81Å; K395-V439 WeakPolarHBondContact CE-O 3.23Å; K395-V439 HydrophobicContact CG-CB 4.23Å; K395-V439 HydrophobicContact CG-CG1 4.37Å; K395-V439 VanDerWaalsContact CG-O 3.26Å; K395-V439 WeakPolarHBondContact CG-O 3.47Å; K395-F441 HydrophobicContact CB-CD2 4.35Å; K395-F441 HydrophobicContact CB-CE2 3.84Å
396	F	94.9	Very high	92.2	Very high	8 Å²	8	40.4 Å²	40.4	4%	0.035	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	148.8	162	-82.5	-77.1	0	0	0	110.3	C354 F355 N356 L363 L373 P398 Q403 F406 F441	C354-F396 HydrophobicContact CB-CD2 4.31Å; F355-F396 VanDerWaalsContact C-CD2 3.44Å; F355-F396 VanDerWaalsContact O-CD2 3.27Å; F355-F396 WeakPolarHBondContact O-CD2 3.29Å; N356-F396 HydrophobicContact CB-CD1 4.46Å; N356-F396 HydrophobicContact CB-CD2 4.21Å; N356-F396 HydrophobicContact CB-CE1 4.38Å; N356-F396 HydrophobicContact CB-CE2 4.1Å; N356-F396 HydrophobicContact CB-CG 4.35Å; N356-F396 HydrophobicContact CB-CZ 4.17Å; L363-F396 HydrophobicContact CB-CE2 4.06Å; L363-F396 HydrophobicContact CB-CZ 4.45Å; L363-F396 HydrophobicContact CD1-CD1 4.11Å; L363-F396 HydrophobicContact CD1-CD2 3.86Å; L363-F396 HydrophobicContact CD1-CE1 3.66Å; L363-F396 HydrophobicContact CD1-CE2 3.4Å; L363-F396 VanDerWaalsContact CD1-CE2 3.4Å; L363-F396 HydrophobicContact CD1-CG 4.22Å; L363-F396 HydrophobicContact CD1-CZ 3.31Å; L363-F396 HydrophobicContact CD2-CZ 4.38Å; L363-F396 HydrophobicContact CG-CD2 4.36Å; L363-F396 HydrophobicContact CG-CE1 4.21Å; L363-F396 HydrophobicContact CG-CE2 3.48Å; L363-F396 VanDerWaalsContact CG-CE2 3.48Å; L363-F396 HydrophobicContact CG-CZ 3.4Å; L363-F396 VanDerWaalsContact CG-CZ 3.4Å; L373-F396 HydrophobicContact CD1-CZ 3.81Å; F396-P398 VanDerWaalsContact O-CD 3.28Å; F396-P398 WeakPolarHBondContact O-CD 3.22Å; F396-Q403 WeakPolarHBondContact CD1-O 3.2Å; F396-F406 HydrophobicContact CD1-CB 4Å; F396-F406 HydrophobicContact CE1-CB 4.42Å; F396-F406 HydrophobicContact CG-CB 4.42Å; F396-F441 WeakPolarHBondContact O-CE2 3.43Å
397	N	93.7	Very high	92.5	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.19	C	C	.	.			trans	-63.7	124.4	165.1	-171.9	-13.9	0	0	0	108.2	D399 K402 Q403 L405 F441 W462	N397-D399 PolarHBondContact O-N 3.5Å; N397-D399 PolarHBondContact OD1-N 3.05Å; N397-K402 HydrophobicContact CB-CB 4.27Å; N397-K402 WeakPolarHBondContact ND2-CB 3.44Å; N397-K402 WeakPolarHBondContact ND2-CD 3.33Å; N397-Q403 PolarHBondContact O-NE2 2.96Å; N397-L405 WeakPolarHBondContact CB-O 3.3Å; N397-L405 PolarHBondContact N-O 3.04Å; N397-F441 HydrophobicContact CB-CZ 4.35Å; N397-W462 HydrophobicContact CB-CH2 3.83Å; N397-W462 HydrophobicContact CB-CZ2 4.16Å; N397-W462 HydrophobicContact CB-CZ3 4.32Å; N397-W462 VanDerWaalsContact ND2-CE2 3.25Å; N397-W462 WeakPolarHBondContact ND2-CZ2 3.36Å
398	P	90.1	Very high	93.3	Very high	30 Å²	30	34.9 Å²	34.9	20%	0.195	18%	0.18	C	C	.	.			trans	-74	-2.2	177.9	29.6	-38.5	0	0	0	114.8	N357 F396 F441 N445	N357-P398 PolarHBondContact ND2-O 2.93Å; F396-P398 VanDerWaalsContact O-CD 3.28Å; F396-P398 WeakPolarHBondContact O-CD 3.22Å; P398-F441 VanDerWaalsContact CD-CG 3.41Å; P398-F441 HydrophobicContact CG-CB 3.7Å; P398-F441 HydrophobicContact CG-CD1 4.01Å; P398-F441 HydrophobicContact CG-CD2 3.93Å; P398-F441 HydrophobicContact CG-CG 3.61Å; P398-N445 HydrophobicContact CG-CB 3.71Å; P398-N445 WeakPolarHBondContact CG-OD1 3.48Å; P398-N445 PolarHBondContact O-ND2 3.17Å
399	D	92.1	Very high	93.7	Very high	36 Å²	36	33 Å²	33	19%	0.193	16%	0.159	C	C	.	.	S	Bend	trans	-78.4	138.3	172	-66.9	-29.8	0	0	0	111.9	N397 D401 K402 Q403 N445	N397-D399 PolarHBondContact O-N 3.5Å; N397-D399 PolarHBondContact OD1-N 3.05Å; D399-D401 VanDerWaalsContact C-N 3.33Å; D399-D401 WeakPolarHBondContact CB-OD1 3.34Å; D399-D401 PolarHBondContact O-N 3.4Å; D399-K402 PolarHBondContact O-N 2.78Å; D399-Q403 PolarHBondContact O-N 3.36Å; D399-Q403 PolarHBondContact O-NE2 2.98Å; D399-N445 WeakPolarHBondContact OD1-CB 3.47Å; D399-N445 PolarHBondContact OD1-ND2 2.94Å
400	E	89.5	Confident	93.8	Very high	167 Å²	167	29.1 Å²	29.1	78%	0.78	14%	0.143	S	C	*	.	S	Bend	trans	-66.2	-32.8	-175.1	-66.2	-174.5	170.4	0	0	113.3	K402	E400-K402 VanDerWaalsContact C-N 3.33Å
401	D	91.4	Very high	93.8	Very high	113 Å²	113	32.8 Å²	32.8	60%	0.604	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-28.4	178.3	61	-26.7	0	0	0	112.8	D399	D399-D401 VanDerWaalsContact C-N 3.33Å; D399-D401 WeakPolarHBondContact CB-OD1 3.34Å; D399-D401 PolarHBondContact O-N 3.4Å
402	K	91.7	Very high	93.6	Very high	58 Å²	58	35.9 Å²	35.9	25%	0.252	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.5	24.9	-171.7	-65.4	167.6	-167.9	175.5	0	113.9	N397 D399 E400 N404 L405	N397-K402 HydrophobicContact CB-CB 4.27Å; N397-K402 WeakPolarHBondContact ND2-CB 3.44Å; N397-K402 WeakPolarHBondContact ND2-CD 3.33Å; D399-K402 PolarHBondContact O-N 2.78Å; E400-K402 VanDerWaalsContact C-N 3.33Å; K402-N404 PolarHBondContact O-N 3.3Å; K402-N404 VanDerWaalsContact O-N 3.09Å; K402-L405 HydrophobicContact CB-CD1 4.24Å; K402-L405 HydrophobicContact CG-CD1 4.32Å; K402-L405 WeakPolarHBondContact O-CB 3.07Å; K402-L405 PolarHBondContact O-N 3.2Å
403	Q	91.7	Very high	93.7	Very high	36 Å²	36	38 Å²	38	17%	0.168	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-17.8	-179.9	-72.9	-60.8	-56.8	0	0	114.6	N357 F396 N397 D399 L405	N357-Q403 PolarHBondContact ND2-NE2 3.05Å; F396-Q403 WeakPolarHBondContact CD1-O 3.2Å; N397-Q403 PolarHBondContact O-NE2 2.96Å; D399-Q403 PolarHBondContact O-N 3.36Å; D399-Q403 PolarHBondContact O-NE2 2.98Å; Q403-L405 VanDerWaalsContact C-N 3.26Å
404	N	92.9	Very high	93.8	Very high	23 Å²	23	41.2 Å²	41.2	12%	0.123	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-18.1	172.4	60.5	-52.2	0	0	0	113	K402 D419 S420 R421	K402-N404 PolarHBondContact O-N 3.3Å; K402-N404 VanDerWaalsContact O-N 3.09Å; N404-D419 PolarHBondContact ND2-OD1 3.21Å; N404-S420 VanDerWaalsContact CA-OG 3.32Å; N404-S420 WeakPolarHBondContact CA-OG 3.02Å; N404-S420 WeakPolarHBondContact CB-OG 3.44Å; N404-S420 WeakPolarHBondContact O-CB 3.27Å; N404-S420 PolarHBondContact O-N 3.43Å; N404-S420 PolarHBondContact O-OG 2.72Å; N404-R421 HydrophobicContact CB-CG 4.15Å
405	L	95.3	Very high	93.8	Very high	22 Å²	22	41.2 Å²	41.2	12%	0.115	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	135.1	-178.7	-58.2	175.7	0	0	0	110.8	N397 K402 Q403 Y418 D419 V426 W462	N397-L405 WeakPolarHBondContact CB-O 3.3Å; N397-L405 PolarHBondContact N-O 3.04Å; K402-L405 HydrophobicContact CB-CD1 4.24Å; K402-L405 HydrophobicContact CG-CD1 4.32Å; K402-L405 WeakPolarHBondContact O-CB 3.07Å; K402-L405 PolarHBondContact O-N 3.2Å; Q403-L405 VanDerWaalsContact C-N 3.26Å; L405-Y418 WeakPolarHBondContact CA-O 3.34Å; L405-D419 HydrophobicContact CD2-CB 3.69Å; L405-V426 HydrophobicContact CD2-CG2 4.13Å; L405-W462 HydrophobicContact CB-CH2 4.06Å; L405-W462 HydrophobicContact CB-CZ2 3.79Å; L405-W462 HydrophobicContact CD1-CZ2 3.79Å; L405-W462 HydrophobicContact CG-CZ2 4.43Å
406	F	95.4	Very high	93.9	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	153.9	175.4	63.7	-88.3	0	0	0	111.5	L363 V371 F385 I394 K395 F396 V408 Q417 Y418	L363-F406 HydrophobicContact CD1-CB 3.62Å; L363-F406 HydrophobicContact CD1-CD1 3.73Å; L363-F406 HydrophobicContact CD1-CD2 3.5Å; L363-F406 VanDerWaalsContact CD1-CD2 3.5Å; L363-F406 HydrophobicContact CD1-CE1 4.22Å; L363-F406 HydrophobicContact CD1-CE2 4Å; L363-F406 HydrophobicContact CD1-CG 3.33Å; L363-F406 HydrophobicContact CD1-CZ 4.33Å; L363-F406 HydrophobicContact CD2-CE1 4.3Å; L363-F406 HydrophobicContact CD2-CE2 4.28Å; L363-F406 HydrophobicContact CD2-CZ 4.13Å; V371-F406 HydrophobicContact CG1-CE2 4.23Å; F385-F406 HydrophobicContact CD1-CZ 4.07Å; F385-F406 HydrophobicContact CD2-CE1 4.38Å; F385-F406 HydrophobicContact CD2-CE2 4.33Å; F385-F406 AromaticContact CD2-CZ 3.54Å; F385-F406 HydrophobicContact CD2-CZ 3.54Å; F385-F406 HydrophobicContact CE1-CE1 4.18Å; F385-F406 HydrophobicContact CE1-CZ 4Å; F385-F406 AromaticContact CE2-CE1 3.86Å; F385-F406 HydrophobicContact CE2-CE1 3.86Å; F385-F406 AromaticContact CE2-CZ 3.46Å; F385-F406 HydrophobicContact CE2-CZ 3.46Å; F385-F406 VanDerWaalsContact CE2-CZ 3.46Å; F385-F406 AromaticContact CG-CZ 3.85Å; F385-F406 HydrophobicContact CG-CZ 3.85Å; F385-F406 AromaticContact CZ-CE1 3.76Å; F385-F406 HydrophobicContact CZ-CE1 3.76Å; F385-F406 AromaticContact CZ-CZ 3.71Å; F385-F406 HydrophobicContact CZ-CZ 3.71Å; I394-F406 HydrophobicContact CG2-CD2 4.2Å; K395-F406 CarbonylContact O-C 3.57Å; K395-F406 WeakPolarHBondContact O-CA 3.28Å; K395-F406 WeakPolarHBondContact O-CB 3.21Å; F396-F406 HydrophobicContact CD1-CB 4Å; F396-F406 HydrophobicContact CE1-CB 4.42Å; F396-F406 HydrophobicContact CG-CB 4.42Å; F406-V408 HydrophobicContact CD2-CG2 3.64Å; F406-V408 HydrophobicContact CE2-CG2 3.49Å; F406-V408 VanDerWaalsContact CE2-CG2 3.49Å; F406-Q417 WeakPolarHBondContact O-CA 3.26Å; F406-Y418 AromaticContact CE2-CD2 3.93Å; F406-Y418 HydrophobicContact CE2-CD2 3.93Å; F406-Y418 AromaticContact CE2-CG 4Å; F406-Y418 HydrophobicContact CE2-CG 4Å; F406-Y418 HydrophobicContact CZ-CD2 4.24Å; F406-Y418 AromaticContact CZ-CG 3.84Å; F406-Y418 HydrophobicContact CZ-CG 3.84Å; F406-Y418 PolarHBondContact N-O 3.18Å; F406-Y418 PolarHBondContact O-N 3.23Å
407	L	96	Very high	94	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	138.5	177.4	-63.7	177.8	0	0	0	110.4	I394 K395 I415 L416 Q417 Y429 V439 F441 F448 W462	I394-L407 WeakPolarHBondContact CA-O 3.47Å; K395-L407 PolarHBondContact N-O 3.07Å; K395-L407 PolarHBondContact O-N 2.81Å; L407-I415 HydrophobicContact CB-CG2 4.07Å; L407-I415 HydrophobicContact CD2-CG2 4.19Å; L407-L416 CarbonylContact C-O 3.48Å; L407-L416 WeakPolarHBondContact CA-O 3.42Å; L407-Q417 HydrophobicContact CD2-CB 3.75Å; L407-Q417 HydrophobicContact CD2-CG 4.01Å; L407-Y429 HydrophobicContact CD2-CE2 3.9Å; L407-V439 HydrophobicContact CB-CG1 4.42Å; L407-V439 HydrophobicContact CD1-CG1 3.8Å; L407-F441 HydrophobicContact CD1-CE1 4.39Å; L407-F441 HydrophobicContact CD1-CE2 4.35Å; L407-F441 HydrophobicContact CD1-CZ 3.76Å; L407-F441 HydrophobicContact CG-CZ 4.31Å; L407-F448 HydrophobicContact CD1-CD1 3.81Å; L407-F448 HydrophobicContact CD1-CD2 3.88Å; L407-F448 HydrophobicContact CD1-CE1 3.8Å; L407-F448 HydrophobicContact CD1-CE2 3.86Å; L407-F448 HydrophobicContact CD1-CG 3.84Å; L407-F448 HydrophobicContact CD1-CZ 3.81Å; L407-W462 HydrophobicContact CD1-CZ3 3.84Å; L407-W462 HydrophobicContact CD2-CH2 4.34Å; L407-W462 HydrophobicContact CD2-CZ3 3.95Å; L407-W462 HydrophobicContact CG-CH2 4.34Å; L407-W462 HydrophobicContact CG-CZ3 3.79Å
408	V	96	Very high	94	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	115.6	174.9	-177.6	0	0	0	0	108.6	V371 P391 C393 I394 F406 T410 I415 L416 Y418	V371-V408 HydrophobicContact CG2-CG1 4.06Å; V371-V408 HydrophobicContact CG2-CG2 4.21Å; P391-V408 HydrophobicContact CB-CG1 3.5Å; P391-V408 VanDerWaalsContact CB-CG1 3.5Å; C393-V408 WeakPolarHBondContact O-CA 3.32Å; I394-V408 HydrophobicContact CG1-CG2 4.41Å; F406-V408 HydrophobicContact CD2-CG2 3.64Å; F406-V408 HydrophobicContact CE2-CG2 3.49Å; F406-V408 VanDerWaalsContact CE2-CG2 3.49Å; V408-T410 HydrophobicContact CG1-CG2 4.17Å; V408-I415 CarbonylContact O-C 3.58Å; V408-I415 WeakPolarHBondContact O-CA 3.19Å; V408-L416 PolarHBondContact N-O 3.01Å; V408-L416 PolarHBondContact O-N 3.06Å; V408-Y418 HydrophobicContact CB-CD2 4.43Å; V408-Y418 HydrophobicContact CB-CE2 4.47Å; V408-Y418 HydrophobicContact CG2-CD2 3.82Å; V408-Y418 HydrophobicContact CG2-CE2 4.18Å
409	G	95.7	Very high	94.2	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	119.3	170.2	0	0	0	0	0	110.1	Y392 C393	Y392-G409 PolarHBondContact N-O 2.88Å; C393-G409 PolarHBondContact O-N 2.97Å
410	T	95.6	Very high	94.2	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.012	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	163.5	-176.1	66.4	0	0	0	0	112.4	T387 V408 D412 K414 L416 V436	T387-T410 HydrophobicContact CG2-CG2 4.06Å; V408-T410 HydrophobicContact CG1-CG2 4.17Å; T410-D412 PolarHBondContact O-N 2.74Å; T410-D412 PolarHBondContact OG1-N 3.03Å; T410-K414 PolarHBondContact N-O 2.86Å; T410-K414 PolarHBondContact OG1-N 3.36Å; T410-K414 PolarHBondContact OG1-O 2.9Å; T410-L416 HydrophobicContact CG2-CD1 3.81Å; T410-L416 HydrophobicContact CG2-CG 4.21Å; T410-V436 PolarHBondContact O-N 3.47Å
411	Q	95	Very high	94.4	Very high	95 Å²	95	39.2 Å²	39.2	44%	0.444	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-27.3	167.6	-173.8	178.8	2.1	0	0	112.8	V390 Y392 K413	V390-Q411 HydrophobicContact CB-CB 4.38Å; V390-Q411 PolarHBondContact O-N 3.43Å; Y392-Q411 HydrophobicContact CD2-CB 4.32Å; Y392-Q411 HydrophobicContact CE2-CB 3.65Å; Y392-Q411 HydrophobicContact CE2-CG 3.98Å; Q411-K413 PolarHBondContact O-N 3.45Å
412	D	92.8	Very high	94.3	Very high	66 Å²	66	37.4 Å²	37.4	35%	0.353	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	22.6	-175.3	-93.2	26.8	0	0	0	113.7	K389 T410 K414	K389-D412 HydrophobicContact CB-CB 4.49Å; K389-D412 VanDerWaalsContact CD-CG 3.49Å; K389-D412 WeakPolarHBondContact CD-OD1 3.46Å; K389-D412 WeakPolarHBondContact CD-OD2 3.41Å; K389-D412 WeakPolarHBondContact CE-OD1 3.49Å; K389-D412 WeakPolarHBondContact CE-OD2 3.4Å; K389-D412 HydrophobicContact CG-CB 4.13Å; K389-D412 WeakPolarHBondContact CG-OD1 3.36Å; K389-D412 VanDerWaalsContact CG-OD2 3.23Å; K389-D412 WeakPolarHBondContact CG-OD2 3.45Å; K389-D412 IonicContact NZ-OD1 3.53Å; K389-D412 PolarHBondContact NZ-OD1 3.16Å; K389-D412 IonicContact NZ-OD2 3.09Å; K389-D412 PolarHBondContact NZ-OD2 2.88Å; T410-D412 PolarHBondContact O-N 2.74Å; T410-D412 PolarHBondContact OG1-N 3.03Å; D412-K414 PolarHBondContact O-N 2.88Å
413	K	94.4	Very high	94.2	Very high	94 Å²	94	36.7 Å²	36.7	41%	0.409	18%	0.18	S	C	.	.	S	Bend	trans	62.5	4.2	-179.4	-36.2	165.5	-179.4	-170.5	0	114	Q411 H432 M433 G434	Q411-K413 PolarHBondContact O-N 3.45Å; K413-H432 HydrophobicContact CB-CB 4.24Å; K413-H432 WeakPolarHBondContact CB-O 3.33Å; K413-H432 WeakPolarHBondContact O-CB 3.41Å; K413-M433 VanDerWaalsContact CD-O 3.3Å; K413-M433 WeakPolarHBondContact CD-O 3.35Å; K413-M433 WeakPolarHBondContact CE-O 3.33Å; K413-M433 PolarHBondContact NZ-O 3.03Å; K413-G434 VanDerWaalsContact CA-O 3.27Å; K413-G434 WeakPolarHBondContact CA-O 3.45Å; K413-G434 WeakPolarHBondContact CB-O 3.25Å
414	K	95.4	Very high	94.2	Very high	72 Å²	72	41.5 Å²	41.5	31%	0.313	20%	0.202	S	C	.	.			trans	-97.8	142.8	178.9	-66.1	-175	177.9	-166.1	0	110.1	T410 D412 L416 E428 Y429 D430	T410-K414 PolarHBondContact N-O 2.86Å; T410-K414 PolarHBondContact OG1-N 3.36Å; T410-K414 PolarHBondContact OG1-O 2.9Å; D412-K414 PolarHBondContact O-N 2.88Å; K414-L416 HydrophobicContact CB-CD2 4.11Å; K414-L416 HydrophobicContact CB-CG 4.37Å; K414-L416 HydrophobicContact CD-CD2 4.29Å; K414-E428 IonicContact NZ-OE1 3.95Å; K414-E428 IonicContact NZ-OE2 3.03Å; K414-E428 PolarHBondContact NZ-OE2 2.68Å; K414-Y429 WeakPolarHBondContact CA-O 3.14Å; K414-D430 HydrophobicContact CG-CB 4.36Å
415	I	96.6	Very high	94.3	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	125.8	157.8	-47	173.5	0	0	0	105.4	L407 V408 Y429 V436 V439 F448 S450 W460	L407-I415 HydrophobicContact CB-CG2 4.07Å; L407-I415 HydrophobicContact CD2-CG2 4.19Å; V408-I415 CarbonylContact O-C 3.58Å; V408-I415 WeakPolarHBondContact O-CA 3.19Å; I415-Y429 HydrophobicContact CB-CD2 4Å; I415-Y429 HydrophobicContact CB-CG 4.35Å; I415-Y429 HydrophobicContact CG2-CD2 4.3Å; I415-Y429 PolarHBondContact N-O 3.38Å; I415-Y429 WeakPolarHBondContact O-CD2 3.24Å; I415-Y429 PolarHBondContact O-N 3.25Å; I415-V436 HydrophobicContact CD1-CG1 4.21Å; I415-V436 HydrophobicContact CG1-CB 4.42Å; I415-V436 HydrophobicContact CG1-CG1 4.02Å; I415-V436 HydrophobicContact CG1-CG2 3.85Å; I415-V439 HydrophobicContact CD1-CG2 4.38Å; I415-V439 HydrophobicContact CG2-CG2 4.39Å; I415-F448 HydrophobicContact CD1-CE2 3.93Å; I415-S450 VanDerWaalsContact CD1-CB 3.41Å; I415-W460 HydrophobicContact CD1-CZ2 4.45Å
416	L	95.9	Very high	94.2	Very high	13 Å²	13	45.5 Å²	45.5	7%	0.068	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	132.4	179.7	-60.6	174.6	0	0	0	108.5	T387 L407 V408 T410 K414 Y418 V425 E428	T387-L416 HydrophobicContact CG2-CD1 3.39Å; L407-L416 CarbonylContact C-O 3.48Å; L407-L416 WeakPolarHBondContact CA-O 3.42Å; V408-L416 PolarHBondContact N-O 3.01Å; V408-L416 PolarHBondContact O-N 3.06Å; T410-L416 HydrophobicContact CG2-CD1 3.81Å; T410-L416 HydrophobicContact CG2-CG 4.21Å; K414-L416 HydrophobicContact CB-CD2 4.11Å; K414-L416 HydrophobicContact CB-CG 4.37Å; K414-L416 HydrophobicContact CD-CD2 4.29Å; L416-Y418 HydrophobicContact CB-CD2 4.22Å; L416-Y418 HydrophobicContact CB-CE2 3.81Å; L416-Y418 HydrophobicContact CD1-CE2 4.23Å; L416-V425 HydrophobicContact CB-CG1 4.49Å; L416-V425 HydrophobicContact CD2-CG1 4.12Å; L416-E428 HydrophobicContact CD2-CB 4.1Å; L416-E428 HydrophobicContact CD2-CG 3.63Å
417	Q	96.1	Very high	94.2	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	121	172.3	-175.6	173.7	-32.6	0	0	108.6	F406 L407 V425 V426 Q427 Y429 W462 D463	F406-Q417 WeakPolarHBondContact O-CA 3.26Å; L407-Q417 HydrophobicContact CD2-CB 3.75Å; L407-Q417 HydrophobicContact CD2-CG 4.01Å; Q417-V425 CarbonylContact O-C 3.56Å; Q417-V425 WeakPolarHBondContact O-CA 3.39Å; Q417-V426 HydrophobicContact CG-CB 4.35Å; Q417-V426 PolarHBondContact O-N 2.92Å; Q417-Q427 HydrophobicContact CB-CB 3.96Å; Q417-Q427 WeakPolarHBondContact CB-O 3.39Å; Q417-Q427 PolarHBondContact N-O 2.86Å; Q417-Y429 HydrophobicContact CB-CE2 4.27Å; Q417-Y429 PolarHBondContact OE1-OH 3.09Å; Q417-W462 HydrophobicContact CG-CH2 4.25Å; Q417-D463 PolarHBondContact NE2-OD1 2.95Å; Q417-D463 PolarHBondContact OE1-OD1 3.3Å
418	Y	95.3	Very high	94.1	Very high	8 Å²	8	52.2 Å²	52.2	3%	0.031	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	149	178.4	-81.1	-82.5	0	0	0	110.5	F385 T386 T387 L405 F406 V408 L416 Q424 V425	F385-Y418 HydrophobicContact CB-CD1 4.35Å; F385-Y418 HydrophobicContact CB-CE1 4.14Å; F385-Y418 AromaticContact CD1-CD1 3.88Å; F385-Y418 HydrophobicContact CD1-CD1 3.88Å; F385-Y418 HydrophobicContact CD1-CE1 4.34Å; F385-Y418 HydrophobicContact CD1-CG 4.4Å; F385-Y418 HydrophobicContact CG-CD1 4.37Å; T386-Y418 PolarHBondContact O-OH 3.49Å; T387-Y418 HydrophobicContact CG2-CE2 4.01Å; T387-Y418 WeakPolarHBondContact CG2-OH 3.38Å; L405-Y418 WeakPolarHBondContact CA-O 3.34Å; F406-Y418 AromaticContact CE2-CD2 3.93Å; F406-Y418 HydrophobicContact CE2-CD2 3.93Å; F406-Y418 AromaticContact CE2-CG 4Å; F406-Y418 HydrophobicContact CE2-CG 4Å; F406-Y418 HydrophobicContact CZ-CD2 4.24Å; F406-Y418 AromaticContact CZ-CG 3.84Å; F406-Y418 HydrophobicContact CZ-CG 3.84Å; F406-Y418 PolarHBondContact N-O 3.18Å; F406-Y418 PolarHBondContact O-N 3.23Å; V408-Y418 HydrophobicContact CB-CD2 4.43Å; V408-Y418 HydrophobicContact CB-CE2 4.47Å; V408-Y418 HydrophobicContact CG2-CD2 3.82Å; V408-Y418 HydrophobicContact CG2-CE2 4.18Å; L416-Y418 HydrophobicContact CB-CD2 4.22Å; L416-Y418 HydrophobicContact CB-CE2 3.81Å; L416-Y418 HydrophobicContact CD1-CE2 4.23Å; Y418-Q424 WeakPolarHBondContact CD1-O 3.37Å; Y418-V425 HydrophobicContact CD1-CG2 4.1Å; Y418-V425 HydrophobicContact CE1-CG2 3.45Å; Y418-V425 VanDerWaalsContact CE1-CG2 3.45Å; Y418-V425 HydrophobicContact CE2-CG2 4.24Å
419	D	94.6	Very high	94.2	Very high	22 Å²	22	52.2 Å²	52.2	12%	0.118	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	121.6	165.2	176.6	19.3	0	0	0	109.5	N404 L405 R421 T422 A423 Q424 V426	N404-D419 PolarHBondContact ND2-OD1 3.21Å; L405-D419 HydrophobicContact CD2-CB 3.69Å; D419-R421 PolarHBondContact O-N 3.16Å; D419-R421 PolarHBondContact OD1-N 2.82Å; D419-T422 WeakPolarHBondContact CB-OG1 3.34Å; D419-T422 PolarHBondContact O-N 3.41Å; D419-T422 PolarHBondContact OD2-OG1 3.1Å; D419-A423 WeakPolarHBondContact O-CA 3.23Å; D419-A423 PolarHBondContact O-N 3.29Å; D419-Q424 PolarHBondContact N-O 2.93Å; D419-V426 HydrophobicContact CB-CG2 3.64Å
420	S	91.7	Very high	94.1	Very high	17 Å²	17	56.6 Å²	56.6	12%	0.119	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-5	-178	68.5	0	0	0	0	114.6	N404	N404-S420 VanDerWaalsContact CA-OG 3.32Å; N404-S420 WeakPolarHBondContact CA-OG 3.02Å; N404-S420 WeakPolarHBondContact CB-OG 3.44Å; N404-S420 WeakPolarHBondContact O-CB 3.27Å; N404-S420 PolarHBondContact O-N 3.43Å; N404-S420 PolarHBondContact O-OG 2.72Å
421	R	92.2	Very high	94.1	Very high	182 Å²	182	62.4 Å²	62.4	69%	0.687	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-33.9	177.4	-60.7	174.7	-178.8	167.6	4	112.6	N404 D419	N404-R421 HydrophobicContact CB-CG 4.15Å; D419-R421 PolarHBondContact O-N 3.16Å; D419-R421 PolarHBondContact OD1-N 2.82Å
422	T	91	Very high	94.1	Very high	75 Å²	75	58 Å²	58	46%	0.46	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.3	-16.8	-176	55.2	0	0	0	0	112.2	D419 Q424	D419-T422 WeakPolarHBondContact CB-OG1 3.34Å; D419-T422 PolarHBondContact O-N 3.41Å; D419-T422 PolarHBondContact OD2-OG1 3.1Å; T422-Q424 PolarHBondContact O-N 3.34Å; T422-Q424 VanDerWaalsContact O-N 3.17Å
423	A	88.4	Confident	94.1	Very high	43 Å²	43	60.9 Å²	60.9	36%	0.355	30%	0.297	S	S	.	.			trans	55.8	21.3	-171.9	0	0	0	0	0	115.2	F385 D419	F385-A423 HydrophobicContact CD1-CB 3.96Å; F385-A423 HydrophobicContact CE1-CB 3.77Å; D419-A423 WeakPolarHBondContact O-CA 3.23Å; D419-A423 PolarHBondContact O-N 3.29Å
424	Q	91.7	Very high	94.1	Very high	137 Å²	137	57 Å²	57	64%	0.64	28%	0.284	S	S	*	.	S	Bend	trans	-103.5	157.5	178.4	-68.1	178.7	10.6	0	0	111.3	Y418 D419 T422 V426	Y418-Q424 WeakPolarHBondContact CD1-O 3.37Å; D419-Q424 PolarHBondContact N-O 2.93Å; T422-Q424 PolarHBondContact O-N 3.34Å; T422-Q424 VanDerWaalsContact O-N 3.17Å; Q424-V426 PolarHBondContact O-N 3.25Å
425	V	94.3	Very high	94.1	Very high	56 Å²	56	54.1 Å²	54.1	34%	0.339	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	117.6	171.4	179.7	0	0	0	0	107.8	L416 Q417 Y418 E428	L416-V425 HydrophobicContact CB-CG1 4.49Å; L416-V425 HydrophobicContact CD2-CG1 4.12Å; Q417-V425 CarbonylContact O-C 3.56Å; Q417-V425 WeakPolarHBondContact O-CA 3.39Å; Y418-V425 HydrophobicContact CD1-CG2 4.1Å; Y418-V425 HydrophobicContact CE1-CG2 3.45Å; Y418-V425 VanDerWaalsContact CE1-CG2 3.45Å; Y418-V425 HydrophobicContact CE2-CG2 4.24Å; V425-E428 HydrophobicContact CG1-CG 3.83Å
426	V	94.6	Very high	94	Very high	74 Å²	74	54.1 Å²	54.1	45%	0.448	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	-46	176.6	178.6	0	0	0	0	110.4	L405 Q417 D419 Q424	L405-V426 HydrophobicContact CD2-CG2 4.13Å; Q417-V426 HydrophobicContact CG-CB 4.35Å; Q417-V426 PolarHBondContact O-N 2.92Å; D419-V426 HydrophobicContact CB-CG2 3.64Å; Q424-V426 PolarHBondContact O-N 3.25Å
427	Q	94.4	Very high	93.8	Very high	57 Å²	57	54.7 Å²	54.7	27%	0.266	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	144.8	-173.8	-169.5	57	50.4	0	0	111.1	Q417 Y429	Q417-Q427 HydrophobicContact CB-CB 3.96Å; Q417-Q427 WeakPolarHBondContact CB-O 3.39Å; Q417-Q427 PolarHBondContact N-O 2.86Å; Q427-Y429 HydrophobicContact CB-CE2 4.38Å; Q427-Y429 HydrophobicContact CG-CE2 4.1Å
428	E	95.6	Very high	93.4	Very high	83 Å²	83	55.2 Å²	55.2	39%	0.388	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	135.8	172.7	-52.7	-165.6	163.4	0	0	110.2	K414 L416 V425 P465	K414-E428 IonicContact NZ-OE1 3.95Å; K414-E428 IonicContact NZ-OE2 3.03Å; K414-E428 PolarHBondContact NZ-OE2 2.68Å; L416-E428 HydrophobicContact CD2-CB 4.1Å; L416-E428 HydrophobicContact CD2-CG 3.63Å; V425-E428 HydrophobicContact CG1-CG 3.83Å; E428-P465 VanDerWaalsContact O-CB 3.29Å; E428-P465 WeakPolarHBondContact O-CB 3.46Å
429	Y	96.2	Very high	93.3	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	109.1	172	-51	-102.7	0	0	0	108.4	L407 K414 I415 Q417 Q427 F448 W460 D463 I464	L407-Y429 HydrophobicContact CD2-CE2 3.9Å; K414-Y429 WeakPolarHBondContact CA-O 3.14Å; I415-Y429 HydrophobicContact CB-CD2 4Å; I415-Y429 HydrophobicContact CB-CG 4.35Å; I415-Y429 HydrophobicContact CG2-CD2 4.3Å; I415-Y429 PolarHBondContact N-O 3.38Å; I415-Y429 WeakPolarHBondContact O-CD2 3.24Å; I415-Y429 PolarHBondContact O-N 3.25Å; Q417-Y429 HydrophobicContact CB-CE2 4.27Å; Q417-Y429 PolarHBondContact OE1-OH 3.09Å; Q427-Y429 HydrophobicContact CB-CE2 4.38Å; Q427-Y429 HydrophobicContact CG-CE2 4.1Å; Y429-F448 AromaticContact CD1-CZ 3.92Å; Y429-F448 HydrophobicContact CD1-CZ 3.92Å; Y429-F448 HydrophobicContact CD2-CZ 4.25Å; Y429-F448 AromaticContact CE1-CE1 3.89Å; Y429-F448 HydrophobicContact CE1-CE1 3.89Å; Y429-F448 AromaticContact CE1-CZ 3.61Å; Y429-F448 HydrophobicContact CE1-CZ 3.61Å; Y429-F448 HydrophobicContact CE2-CE1 4.44Å; Y429-F448 HydrophobicContact CE2-CZ 4Å; Y429-F448 HydrophobicContact CG-CZ 4.24Å; Y429-F448 AromaticContact CZ-CE1 3.81Å; Y429-F448 AromaticContact CZ-CZ 3.69Å; Y429-W460 AromaticContact CD1-CD2 3.95Å; Y429-W460 HydrophobicContact CD1-CD2 3.95Å; Y429-W460 AromaticContact CD1-CE3 3.52Å; Y429-W460 HydrophobicContact CD1-CE3 3.52Å; Y429-W460 HydrophobicContact CD1-CG 4.41Å; Y429-W460 AromaticContact CD1-CZ3 3.92Å; Y429-W460 HydrophobicContact CD1-CZ3 3.92Å; Y429-W460 HydrophobicContact CE1-CB 4.46Å; Y429-W460 HydrophobicContact CE1-CE3 4.35Å; Y429-W460 HydrophobicContact CG-CE3 4.34Å; Y429-W460 HydrophobicContact CG-CZ3 4.43Å; Y429-D463 WeakPolarHBondContact OH-CA 3.47Å; Y429-D463 PolarHBondContact OH-N 3.39Å; Y429-I464 WeakPolarHBondContact CE1-O 3.24Å
430	D	95.2	Very high	93	Very high	92 Å²	92	54.6 Å²	54.6	49%	0.492	28%	0.278	S	S	.	.			trans	-115.4	10	-162.7	69.6	-18	0	0	0	114.7	K414 H432	K414-D430 HydrophobicContact CG-CB 4.36Å; D430-H432 VanDerWaalsContact C-N 3.32Å; D430-H432 PolarHBondContact O-N 2.81Å
431	R	94.3	Very high	92.9	Very high	124 Å²	124	54.6 Å²	54.6	47%	0.468	28%	0.276	S	S	.	.			trans	-76	-15.8	-175.5	-53.8	-62.5	-173.7	161.9	-1.2	114.3	R458 W460	R431-R458 PolarHBondContact O-NH1 3.13Å; R431-R458 PolarHBondContact O-NH2 3.31Å; R431-W460 HydrophobicContact CB-CH2 3.63Å; R431-W460 HydrophobicContact CB-CZ2 4.48Å; R431-W460 HydrophobicContact CB-CZ3 4.36Å; R431-W460 HydrophobicContact CG-CH2 3.74Å; R431-W460 HydrophobicContact CG-CZ3 3.97Å
432	H	94.6	Very high	92.4	Very high	3 Å²	3	47 Å²	47	1%	0.014	25%	0.248	C	C	.	.			trans	-66.3	147.5	179.8	-69.8	-66.3	0	0	0	113.7	K413 D430 V436 S450 S452 R458 W460	K413-H432 HydrophobicContact CB-CB 4.24Å; K413-H432 WeakPolarHBondContact CB-O 3.33Å; K413-H432 WeakPolarHBondContact O-CB 3.41Å; D430-H432 VanDerWaalsContact C-N 3.32Å; D430-H432 PolarHBondContact O-N 2.81Å; H432-V436 HydrophobicContact CB-CG2 4.31Å; H432-S450 PolarHBondContact CE1-OG 2.82Å; H432-S450 VanDerWaalsContact CE1-OG 3.31Å; H432-S450 PolarHBondContact NE2-OG 2.72Å; H432-S452 PolarHBondContact CE1-OG 3.41Å; H432-S452 VanDerWaalsContact CE1-OG 3.31Å; H432-S452 PolarHBondContact ND1-OG 3.2Å; H432-R458 VanDerWaalsContact CA-NH1 3.25Å; H432-R458 PolarHBondContact ND1-NH1 2.96Å; H432-W460 AromaticContact NE2-CZ2 3.89Å
433	M	94	Very high	91.8	Very high	126 Å²	126	45.4 Å²	45.4	62%	0.621	24%	0.24	S	C	*	.	S	Bend	trans	-100.1	-14.8	178.9	-59.6	-59.2	-68.6	0	0	112.6	K413 D454	K413-M433 VanDerWaalsContact CD-O 3.3Å; K413-M433 WeakPolarHBondContact CD-O 3.35Å; K413-M433 WeakPolarHBondContact CE-O 3.33Å; K413-M433 PolarHBondContact NZ-O 3.03Å; M433-D454 HydrophobicContact CB-CB 3.92Å; M433-D454 WeakPolarHBondContact CB-OD2 3.07Å; M433-D454 PolarHBondContact N-OD2 2.96Å
434	G	93.7	Very high	91.3	Very high	14 Å²	14	50.8 Å²	50.8	14%	0.144	26%	0.258	C	S	.	.	S	Bend	trans	-134.5	-178.8	177.9	0	0	0	0	0	112.3	K413	K413-G434 VanDerWaalsContact CA-O 3.27Å; K413-G434 WeakPolarHBondContact CA-O 3.45Å; K413-G434 WeakPolarHBondContact CB-O 3.25Å
435	A	94.8	Very high	90.9	Very high	10 Å²	10	46.2 Å²	46.2	8%	0.083	24%	0.238	C	C	.	.			trans	-59.1	141.5	177.4	0	0	0	0	0	111.3	Y392 S452 D453	Y392-A435 HydrophobicContact CD2-CB 3.94Å; Y392-A435 HydrophobicContact CE2-CB 3.58Å; A435-S452 CarbonylContact O-C 3.59Å; A435-S452 WeakPolarHBondContact O-CA 3.39Å; A435-S452 WeakPolarHBondContact O-CB 3.18Å; A435-D453 PolarHBondContact O-N 2.97Å
436	V	94.9	Very high	90.6	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	116.3	179.3	-176.5	0	0	0	0	109.2	Y392 T410 I415 H432 V439 T451	Y392-V436 WeakPolarHBondContact CB-O 3.47Å; T410-V436 PolarHBondContact O-N 3.47Å; I415-V436 HydrophobicContact CD1-CG1 4.21Å; I415-V436 HydrophobicContact CG1-CB 4.42Å; I415-V436 HydrophobicContact CG1-CG1 4.02Å; I415-V436 HydrophobicContact CG1-CG2 3.85Å; H432-V436 HydrophobicContact CB-CG2 4.31Å; V436-V439 HydrophobicContact CG1-CG2 4.23Å; V436-T451 CarbonylContact C-O 3.48Å; V436-T451 WeakPolarHBondContact CA-O 3.27Å; V436-T451 WeakPolarHBondContact CG1-O 3.44Å
437	N	91.2	Very high	90.4	Very high	25 Å²	25	50.9 Å²	50.9	13%	0.134	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	-45.1	-173.9	-73.3	-34.1	0	0	0	113.2	C393 T451 D453 S478	C393-N437 WeakPolarHBondContact CB-O 3.48Å; N437-T451 PolarHBondContact N-O 3.31Å; N437-D453 PolarHBondContact ND2-OD1 3.24Å; N437-D453 PolarHBondContact OD1-OD1 2.49Å; N437-S478 PolarHBondContact ND2-OG 2.81Å; N437-S478 VanDerWaalsContact ND2-OG 3.13Å
438	S	89.2	Confident	90.3	Very high	12 Å²	12	48.1 Å²	48.1	8%	0.084	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	151.2	-176.9	77.7	0	0	0	0	111.9	S450 T451 V482	S438-S450 VanDerWaalsContact O-CA 3.28Å; S438-S450 WeakPolarHBondContact O-CA 3.41Å; S438-T451 PolarHBondContact N-OG1 2.93Å; S438-T451 PolarHBondContact O-N 3.07Å; S438-T451 PolarHBondContact OG-OG1 2.74Å; S438-V482 PolarHBondContact OG-N 2.86Å
439	V	92.6	Very high	90	Very high	2 Å²	2	44.2 Å²	44.2	1%	0.012	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	135.6	173.4	174.6	0	0	0	0	108	K395 L407 I415 V436 F448 C449	K395-V439 WeakPolarHBondContact CE-O 3.23Å; K395-V439 HydrophobicContact CG-CB 4.23Å; K395-V439 HydrophobicContact CG-CG1 4.37Å; K395-V439 VanDerWaalsContact CG-O 3.26Å; K395-V439 WeakPolarHBondContact CG-O 3.47Å; L407-V439 HydrophobicContact CB-CG1 4.42Å; L407-V439 HydrophobicContact CD1-CG1 3.8Å; I415-V439 HydrophobicContact CD1-CG2 4.38Å; I415-V439 HydrophobicContact CG2-CG2 4.39Å; V436-V439 HydrophobicContact CG1-CG2 4.23Å; V439-F448 HydrophobicContact CG1-CB 4.39Å; V439-F448 HydrophobicContact CG1-CD2 3.85Å; V439-F448 HydrophobicContact CG1-CG 4.38Å; V439-C449 CarbonylContact C-O 3.52Å; V439-C449 WeakPolarHBondContact CA-O 3.28Å
440	T	88.4	Confident	89.9	Confident	14 Å²	14	44.2 Å²	44.2	9%	0.086	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	127	178.5	50.4	0	0	0	0	110.9	F448 C449 V482	T440-F448 CarbonylContact O-C 3.55Å; T440-F448 VanDerWaalsContact O-CA 3.27Å; T440-F448 WeakPolarHBondContact O-CA 3.27Å; T440-F448 WeakPolarHBondContact O-CB 3.41Å; T440-C449 PolarHBondContact N-O 2.88Å; T440-C449 PolarHBondContact O-N 2.75Å; T440-C449 PolarHBondContact OG1-O 3.36Å; T440-V482 HydrophobicContact CG2-CB 3.91Å; T440-V482 HydrophobicContact CG2-CG1 3.89Å; T440-V482 WeakPolarHBondContact CG2-O 3.19Å; T440-V482 WeakPolarHBondContact OG1-CG1 3.28Å
441	F	89.3	Confident	89.6	Confident	18 Å²	18	39.8 Å²	39.8	8%	0.079	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	145.2	172.8	-71.1	-90.2	0	0	0	110.6	K395 F396 N397 P398 L407 F448 W462 L484	K395-F441 HydrophobicContact CB-CD2 4.35Å; K395-F441 HydrophobicContact CB-CE2 3.84Å; F396-F441 WeakPolarHBondContact O-CE2 3.43Å; N397-F441 HydrophobicContact CB-CZ 4.35Å; P398-F441 VanDerWaalsContact CD-CG 3.41Å; P398-F441 HydrophobicContact CG-CB 3.7Å; P398-F441 HydrophobicContact CG-CD1 4.01Å; P398-F441 HydrophobicContact CG-CD2 3.93Å; P398-F441 HydrophobicContact CG-CG 3.61Å; L407-F441 HydrophobicContact CD1-CE1 4.39Å; L407-F441 HydrophobicContact CD1-CE2 4.35Å; L407-F441 HydrophobicContact CD1-CZ 3.76Å; L407-F441 HydrophobicContact CG-CZ 4.31Å; F441-F448 HydrophobicContact CD1-CB 3.87Å; F441-F448 HydrophobicContact CE1-CB 4.12Å; F441-F448 HydrophobicContact CE1-CD1 4.41Å; F441-F448 HydrophobicContact CG-CB 4.23Å; F441-W462 AromaticContact CE1-CE3 3.59Å; F441-W462 HydrophobicContact CE1-CE3 3.59Å; F441-W462 AromaticContact CE1-CZ3 3.61Å; F441-W462 HydrophobicContact CE1-CZ3 3.61Å; F441-W462 HydrophobicContact CZ-CE3 4.07Å; F441-W462 HydrophobicContact CZ-CH2 4.47Å; F441-W462 AromaticContact CZ-CZ3 3.58Å; F441-W462 HydrophobicContact CZ-CZ3 3.58Å; F441-L484 WeakPolarHBondContact O-CD2 3.19Å
442	F	83.1	Confident	89.6	Confident	23 Å²	23	33.9 Å²	33.9	10%	0.101	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	171.8	175.2	77.4	-83.3	0	0	0	110.2	N445 R447 C449 I459 L484 I495	F442-N445 PolarHBondContact O-N 3.22Å; F442-R447 HydrophobicContact CD1-CB 4.21Å; F442-R447 HydrophobicContact CE1-CB 3.67Å; F442-R447 HydrophobicContact CE2-CB 4.15Å; F442-R447 HydrophobicContact CZ-CB 3.63Å; F442-R447 HydrophobicContact CZ-CG 4.5Å; F442-R447 PolarHBondContact N-O 3.03Å; F442-R447 PolarHBondContact O-N 3.44Å; F442-C449 HydrophobicContact CD1-CB 3.97Å; F442-C449 HydrophobicContact CE1-CB 4.01Å; F442-I459 HydrophobicContact CE1-CB 4.49Å; F442-I459 HydrophobicContact CE1-CG1 4.21Å; F442-I459 HydrophobicContact CE1-CG2 3.75Å; F442-I459 HydrophobicContact CZ-CB 4.38Å; F442-I459 HydrophobicContact CZ-CD1 4.17Å; F442-I459 HydrophobicContact CZ-CG1 4.13Å; F442-I459 HydrophobicContact CZ-CG2 3.41Å; F442-I459 VanDerWaalsContact CZ-CG2 3.41Å; F442-L484 HydrophobicContact CB-CD1 3.79Å; F442-I495 HydrophobicContact CD1-CD1 4.29Å; F442-I495 HydrophobicContact CG-CD1 4.39Å
443	S	77	Confident	89.4	Confident	40 Å²	40	37.8 Å²	37.8	28%	0.28	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.5	54.7	178.2	-174.3	0	0	0	0	113.2	N445 R446	S443-N445 PolarHBondContact O-N 2.77Å; S443-R446 PolarHBondContact O-N 3.38Å
444	Q	79.2	Confident	89.2	Confident	157 Å²	157	33.6 Å²	33.6	73%	0.734	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.6	47	-176.9	-59.6	174.2	-24.4	0	0	110.8	R446 W493	Q444-R446 PolarHBondContact O-N 2.87Å; Q444-W493 HydrophobicContact CG-CZ2 3.89Å
445	N	83.1	Confident	88.9	Confident	41 Å²	41	37.4 Å²	37.4	22%	0.219	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.5	-10.3	172.5	-52	-21.3	0	0	0	117.2	P398 D399 F442 S443 R447	P398-N445 HydrophobicContact CG-CB 3.71Å; P398-N445 WeakPolarHBondContact CG-OD1 3.48Å; P398-N445 PolarHBondContact O-ND2 3.17Å; D399-N445 WeakPolarHBondContact OD1-CB 3.47Å; D399-N445 PolarHBondContact OD1-ND2 2.94Å; F442-N445 PolarHBondContact O-N 3.22Å; S443-N445 PolarHBondContact O-N 2.77Å; N445-R447 PolarHBondContact O-N 2.86Å
446	R	87.8	Confident	88.6	Confident	148 Å²	148	36.9 Å²	36.9	56%	0.558	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-29.5	176.6	179.1	176.8	169.5	-176.7	-2	113.4	S443 Q444 E461 W462	S443-R446 PolarHBondContact O-N 3.38Å; Q444-R446 PolarHBondContact O-N 2.87Å; R446-E461 IonicContact CZ-OE2 3.99Å; R446-E461 IonicContact NE-OE2 3.69Å; R446-E461 IonicContact NH2-OE1 2.68Å; R446-E461 IonicContact NH2-OE2 3Å; R446-E461 PolarHBondContact NH2-OE2 3.42Å; R446-W462 WeakPolarHBondContact O-CB 3.24Å; R446-W462 PolarHBondContact O-N 3.39Å
447	R	90.1	Very high	88.4	Confident	79 Å²	79	37.1 Å²	37.1	30%	0.298	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	152.9	-177.2	-68.6	-175.3	178.1	169.9	-0.4	110.3	F442 N445 W460 E461	F442-R447 HydrophobicContact CD1-CB 4.21Å; F442-R447 HydrophobicContact CE1-CB 3.67Å; F442-R447 HydrophobicContact CE2-CB 4.15Å; F442-R447 HydrophobicContact CZ-CB 3.63Å; F442-R447 HydrophobicContact CZ-CG 4.5Å; F442-R447 PolarHBondContact N-O 3.03Å; F442-R447 PolarHBondContact O-N 3.44Å; N445-R447 PolarHBondContact O-N 2.86Å; R447-W460 WeakPolarHBondContact CA-O 3.45Å; R447-W460 VanDerWaalsContact CB-O 3.23Å; R447-W460 WeakPolarHBondContact CB-O 3.48Å; R447-W460 WeakPolarHBondContact CG-O 3.45Å; R447-E461 HydrophobicContact CG-CG 3.8Å; R447-E461 IonicContact CZ-OE1 2.92Å; R447-E461 IonicContact NE-OE1 3.81Å; R447-E461 PolarHBondContact NE-OE1 3.27Å; R447-E461 IonicContact NH2-OE1 3.43Å; R447-E461 PolarHBondContact NH2-OE1 3.26Å
448	F	91.9	Very high	88.3	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	151.4	169.1	67.6	-89.5	0	0	0	110.7	L407 I415 Y429 V439 T440 F441 W460 W462	L407-F448 HydrophobicContact CD1-CD1 3.81Å; L407-F448 HydrophobicContact CD1-CD2 3.88Å; L407-F448 HydrophobicContact CD1-CE1 3.8Å; L407-F448 HydrophobicContact CD1-CE2 3.86Å; L407-F448 HydrophobicContact CD1-CG 3.84Å; L407-F448 HydrophobicContact CD1-CZ 3.81Å; I415-F448 HydrophobicContact CD1-CE2 3.93Å; Y429-F448 AromaticContact CD1-CZ 3.92Å; Y429-F448 HydrophobicContact CD1-CZ 3.92Å; Y429-F448 HydrophobicContact CD2-CZ 4.25Å; Y429-F448 AromaticContact CE1-CE1 3.89Å; Y429-F448 HydrophobicContact CE1-CE1 3.89Å; Y429-F448 AromaticContact CE1-CZ 3.61Å; Y429-F448 HydrophobicContact CE1-CZ 3.61Å; Y429-F448 HydrophobicContact CE2-CE1 4.44Å; Y429-F448 HydrophobicContact CE2-CZ 4Å; Y429-F448 HydrophobicContact CG-CZ 4.24Å; Y429-F448 AromaticContact CZ-CE1 3.81Å; Y429-F448 AromaticContact CZ-CZ 3.69Å; V439-F448 HydrophobicContact CG1-CB 4.39Å; V439-F448 HydrophobicContact CG1-CD2 3.85Å; V439-F448 HydrophobicContact CG1-CG 4.38Å; T440-F448 CarbonylContact O-C 3.55Å; T440-F448 VanDerWaalsContact O-CA 3.27Å; T440-F448 WeakPolarHBondContact O-CA 3.27Å; T440-F448 WeakPolarHBondContact O-CB 3.41Å; F441-F448 HydrophobicContact CD1-CB 3.87Å; F441-F448 HydrophobicContact CE1-CB 4.12Å; F441-F448 HydrophobicContact CE1-CD1 4.41Å; F441-F448 HydrophobicContact CG-CB 4.23Å; F448-W460 HydrophobicContact CD1-CB 3.97Å; F448-W460 HydrophobicContact CD2-CB 4.13Å; F448-W460 AromaticContact CD2-CD1 3.59Å; F448-W460 HydrophobicContact CD2-CG 4.12Å; F448-W460 HydrophobicContact CE1-CB 3.52Å; F448-W460 HydrophobicContact CE1-CG 4.2Å; F448-W460 HydrophobicContact CE2-CB 3.71Å; F448-W460 AromaticContact CE2-CD1 3.17Å; F448-W460 HydrophobicContact CE2-CD2 4.38Å; F448-W460 AromaticContact CE2-CG 3.49Å; F448-W460 HydrophobicContact CE2-CG 3.49Å; F448-W460 VanDerWaalsContact CE2-CG 3.49Å; F448-W460 AromaticContact CE2-NE1 3.88Å; F448-W460 HydrophobicContact CG-CB 4.26Å; F448-W460 HydrophobicContact CZ-CB 3.38Å; F448-W460 AromaticContact CZ-CD1 3.74Å; F448-W460 HydrophobicContact CZ-CD2 4.33Å; F448-W460 AromaticContact CZ-CG 3.53Å; F448-W460 HydrophobicContact CZ-CG 3.53Å; F448-W460 PolarHBondContact N-O 3.34Å; F448-W460 PolarHBondContact O-N 2.86Å; F448-W462 HydrophobicContact CD1-CE3 4.22Å; F448-W462 HydrophobicContact CE1-CE3 4.36Å
449	C	90.3	Very high	88.5	Confident	0 Å²	0	37 Å²	37	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	132.6	176.3	177.8	0	0	0	0	107.9	V439 T440 F442 M457 R458 I495	V439-C449 CarbonylContact C-O 3.52Å; V439-C449 WeakPolarHBondContact CA-O 3.28Å; T440-C449 PolarHBondContact N-O 2.88Å; T440-C449 PolarHBondContact O-N 2.75Å; T440-C449 PolarHBondContact OG1-O 3.36Å; F442-C449 HydrophobicContact CD1-CB 3.97Å; F442-C449 HydrophobicContact CE1-CB 4.01Å; C449-M457 WeakPolarHBondContact SG-CG 3.43Å; C449-M457 PolarHBondContact SG-SD 3.4Å; C449-R458 WeakPolarHBondContact CA-O 3.19Å; C449-I495 HydrophobicContact CB-CD1 3.79Å
450	S	92.4	Very high	88.5	Confident	0 Å²	0	37 Å²	37	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	145.1	175.4	64	0	0	0	0	110.7	I415 H432 S438 M457 R458 W460	I415-S450 VanDerWaalsContact CD1-CB 3.41Å; H432-S450 PolarHBondContact CE1-OG 2.82Å; H432-S450 VanDerWaalsContact CE1-OG 3.31Å; H432-S450 PolarHBondContact NE2-OG 2.72Å; S438-S450 VanDerWaalsContact O-CA 3.28Å; S438-S450 WeakPolarHBondContact O-CA 3.41Å; S450-M457 WeakPolarHBondContact O-CA 3.45Å; S450-R458 PolarHBondContact N-O 2.76Å; S450-R458 PolarHBondContact O-N 3.42Å; S450-R458 PolarHBondContact OG-O 3.22Å; S450-W460 PolarHBondContact OG-NE1 3.21Å
451	T	90.7	Very high	88.7	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	152.9	174.7	59.4	0	0	0	0	111.5	V436 N437 S438 M457 M479 V482	V436-T451 CarbonylContact C-O 3.48Å; V436-T451 WeakPolarHBondContact CA-O 3.27Å; V436-T451 WeakPolarHBondContact CG1-O 3.44Å; N437-T451 PolarHBondContact N-O 3.31Å; S438-T451 PolarHBondContact N-OG1 2.93Å; S438-T451 PolarHBondContact O-N 3.07Å; S438-T451 PolarHBondContact OG-OG1 2.74Å; T451-M457 HydrophobicContact CG2-CB 4.35Å; T451-M457 HydrophobicContact CG2-CG 4.04Å; T451-M479 VanDerWaalsContact CB-O 3.23Å; T451-M479 WeakPolarHBondContact CB-O 3.36Å; T451-M479 HydrophobicContact CG2-CB 3.73Å; T451-M479 HydrophobicContact CG2-SD 4.07Å; T451-M479 PolarHBondContact OG1-O 3.31Å; T451-V482 HydrophobicContact CG2-CG2 3.37Å
452	S	92.9	Very high	88.9	Confident	0 Å²	0	38 Å²	38	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	166.9	-175.7	40.9	0	0	0	0	112.1	H432 A435 D454 K455 S456	H432-S452 PolarHBondContact CE1-OG 3.41Å; H432-S452 VanDerWaalsContact CE1-OG 3.31Å; H432-S452 PolarHBondContact ND1-OG 3.2Å; A435-S452 CarbonylContact O-C 3.59Å; A435-S452 WeakPolarHBondContact O-CA 3.39Å; A435-S452 WeakPolarHBondContact O-CB 3.18Å; S452-D454 WeakPolarHBondContact CB-OD1 3.19Å; S452-D454 PolarHBondContact O-N 3.05Å; S452-D454 VanDerWaalsContact OG-CG 3.31Å; S452-D454 PolarHBondContact OG-OD1 3.19Å; S452-K455 PolarHBondContact O-N 2.7Å; S452-S456 PolarHBondContact N-O 3.01Å; S452-S456 PolarHBondContact OG-OG 2.91Å
453	D	90.8	Very high	89.3	Confident	84 Å²	84	40.2 Å²	40.2	45%	0.449	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-16	179	-77.6	-24	0	0	0	114.4	A435 N437 K455 S478	A435-D453 PolarHBondContact O-N 2.97Å; N437-D453 PolarHBondContact ND2-OD1 3.24Å; N437-D453 PolarHBondContact OD1-OD1 2.49Å; D453-K455 PolarHBondContact O-N 2.77Å; D453-K455 VanDerWaalsContact O-N 3.08Å; D453-S478 PolarHBondContact OD1-OG 2.64Å
454	D	89.7	Confident	90.1	Very high	39 Å²	39	42 Å²	42	21%	0.209	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	11.5	173.5	68.7	0.4	0	0	0	113.5	M433 S452 S456 R458	M433-D454 HydrophobicContact CB-CB 3.92Å; M433-D454 WeakPolarHBondContact CB-OD2 3.07Å; M433-D454 PolarHBondContact N-OD2 2.96Å; S452-D454 WeakPolarHBondContact CB-OD1 3.19Å; S452-D454 PolarHBondContact O-N 3.05Å; S452-D454 VanDerWaalsContact OG-CG 3.31Å; S452-D454 PolarHBondContact OG-OD1 3.19Å; D454-S456 VanDerWaalsContact CG-OG 3.25Å; D454-S456 PolarHBondContact O-N 3.24Å; D454-S456 WeakPolarHBondContact OD1-CB 3.5Å; D454-S456 PolarHBondContact OD1-N 3.44Å; D454-S456 PolarHBondContact OD1-OG 2.75Å; D454-S456 PolarHBondContact OD2-OG 3.44Å; D454-R458 IonicContact OD2-NH1 2.79Å; D454-R458 PolarHBondContact OD2-NH1 3.01Å
455	K	87.9	Confident	90.9	Very high	93 Å²	93	36.7 Å²	36.7	40%	0.404	17%	0.172	S	C	.	.	S	Bend	trans	63.2	18.8	-179.5	-50.5	164.6	173.3	-172.8	0	113.2	S452 D453 L476	S452-K455 PolarHBondContact O-N 2.7Å; D453-K455 PolarHBondContact O-N 2.77Å; D453-K455 VanDerWaalsContact O-N 3.08Å; K455-L476 WeakPolarHBondContact CD-O 3.4Å
456	S	89	Confident	91.4	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	18%	0.183	C	C	.	.			trans	-101.9	148.2	178.9	82.9	0	0	0	0	112.4	S452 D454 R458 I471	S452-S456 PolarHBondContact N-O 3.01Å; S452-S456 PolarHBondContact OG-OG 2.91Å; D454-S456 VanDerWaalsContact CG-OG 3.25Å; D454-S456 PolarHBondContact O-N 3.24Å; D454-S456 WeakPolarHBondContact OD1-CB 3.5Å; D454-S456 PolarHBondContact OD1-N 3.44Å; D454-S456 PolarHBondContact OD1-OG 2.75Å; D454-S456 PolarHBondContact OD2-OG 3.44Å; S456-R458 PolarHBondContact OG-NH1 3.29Å; S456-I471 WeakPolarHBondContact CA-O 3.36Å
457	M	89.1	Confident	91.6	Very high	5 Å²	5	33 Å²	33	3%	0.025	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	120.5	167.3	-173.8	175.9	76.3	0	0	107.4	C449 S450 T451 I471 M479 I495 I497	C449-M457 WeakPolarHBondContact SG-CG 3.43Å; C449-M457 PolarHBondContact SG-SD 3.4Å; S450-M457 WeakPolarHBondContact O-CA 3.45Å; T451-M457 HydrophobicContact CG2-CB 4.35Å; T451-M457 HydrophobicContact CG2-CG 4.04Å; M457-I471 HydrophobicContact CB-CB 4.11Å; M457-I471 HydrophobicContact CB-CG2 4.1Å; M457-I471 HydrophobicContact CE-CB 4.25Å; M457-I471 HydrophobicContact CE-CD1 3.27Å; M457-I471 HydrophobicContact CE-CG1 4.33Å; M457-I471 HydrophobicContact CE-CG2 4.16Å; M457-I471 PolarHBondContact N-O 3.08Å; M457-I471 WeakPolarHBondContact O-CB 3.09Å; M457-I471 PolarHBondContact O-N 3.44Å; M457-M479 HydrophobicContact CB-SD 4.21Å; M457-M479 HydrophobicContact SD-SD 4.35Å; M457-I495 HydrophobicContact SD-CG2 4.43Å; M457-I497 HydrophobicContact CE-CD1 3.99Å; M457-I497 HydrophobicContact SD-CD1 3.67Å; M457-I497 HydrophobicContact SD-CG1 4.31Å
458	R	90.8	Very high	91.6	Very high	16 Å²	16	32.5 Å²	32.5	6%	0.06	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	138	179.4	-69.7	-171.3	163.8	95.8	-9.4	110.4	R431 H432 C449 S450 D454 S456 W460 D467 M470	R431-R458 PolarHBondContact O-NH1 3.13Å; R431-R458 PolarHBondContact O-NH2 3.31Å; H432-R458 VanDerWaalsContact CA-NH1 3.25Å; H432-R458 PolarHBondContact ND1-NH1 2.96Å; C449-R458 WeakPolarHBondContact CA-O 3.19Å; S450-R458 PolarHBondContact N-O 2.76Å; S450-R458 PolarHBondContact O-N 3.42Å; S450-R458 PolarHBondContact OG-O 3.22Å; D454-R458 IonicContact OD2-NH1 2.79Å; D454-R458 PolarHBondContact OD2-NH1 3.01Å; S456-R458 PolarHBondContact OG-NH1 3.29Å; R458-W460 HydrophobicContact CB-CZ2 3.89Å; R458-W460 HydrophobicContact CG-CZ2 4.43Å; R458-D467 HydrophobicContact CB-CB 4.19Å; R458-D467 VanDerWaalsContact CD-OD2 3.28Å; R458-D467 WeakPolarHBondContact CD-OD2 3.3Å; R458-D467 HydrophobicContact CG-CB 4.38Å; R458-D467 IonicContact NE-OD2 3.94Å; R458-D467 PolarHBondContact NE-OD2 3.48Å; R458-M470 HydrophobicContact CG-CG 4.38Å
459	I	91.9	Very high	91.5	Very high	19 Å²	19	37.4 Å²	37.4	10%	0.097	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	126.8	176.4	-67.5	171	0	0	0	108.6	F442 D467 T468 K469 I471	F442-I459 HydrophobicContact CE1-CB 4.49Å; F442-I459 HydrophobicContact CE1-CG1 4.21Å; F442-I459 HydrophobicContact CE1-CG2 3.75Å; F442-I459 HydrophobicContact CZ-CB 4.38Å; F442-I459 HydrophobicContact CZ-CD1 4.17Å; F442-I459 HydrophobicContact CZ-CG1 4.13Å; F442-I459 HydrophobicContact CZ-CG2 3.41Å; F442-I459 VanDerWaalsContact CZ-CG2 3.41Å; I459-D467 CarbonylContact O-C 3.57Å; I459-D467 WeakPolarHBondContact O-CA 3.4Å; I459-T468 WeakPolarHBondContact CG2-OG1 3.43Å; I459-T468 PolarHBondContact O-N 2.8Å; I459-T468 PolarHBondContact O-OG1 2.83Å; I459-K469 HydrophobicContact CB-CB 4.19Å; I459-K469 HydrophobicContact CD1-CB 4.22Å; I459-K469 HydrophobicContact CD1-CD 4.2Å; I459-K469 HydrophobicContact CD1-CG 4.47Å; I459-K469 PolarHBondContact N-O 2.84Å; I459-K469 PolarHBondContact O-N 3.33Å; I459-I471 HydrophobicContact CD1-CD1 4.43Å
460	W	93.8	Very high	91.4	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	146.6	-176.7	-50.1	88.8	0	0	0	110	I415 Y429 R431 H432 R447 F448 S450 R458 P465 D467	I415-W460 HydrophobicContact CD1-CZ2 4.45Å; Y429-W460 AromaticContact CD1-CD2 3.95Å; Y429-W460 HydrophobicContact CD1-CD2 3.95Å; Y429-W460 AromaticContact CD1-CE3 3.52Å; Y429-W460 HydrophobicContact CD1-CE3 3.52Å; Y429-W460 HydrophobicContact CD1-CG 4.41Å; Y429-W460 AromaticContact CD1-CZ3 3.92Å; Y429-W460 HydrophobicContact CD1-CZ3 3.92Å; Y429-W460 HydrophobicContact CE1-CB 4.46Å; Y429-W460 HydrophobicContact CE1-CE3 4.35Å; Y429-W460 HydrophobicContact CG-CE3 4.34Å; Y429-W460 HydrophobicContact CG-CZ3 4.43Å; R431-W460 HydrophobicContact CB-CH2 3.63Å; R431-W460 HydrophobicContact CB-CZ2 4.48Å; R431-W460 HydrophobicContact CB-CZ3 4.36Å; R431-W460 HydrophobicContact CG-CH2 3.74Å; R431-W460 HydrophobicContact CG-CZ3 3.97Å; H432-W460 AromaticContact NE2-CZ2 3.89Å; R447-W460 WeakPolarHBondContact CA-O 3.45Å; R447-W460 VanDerWaalsContact CB-O 3.23Å; R447-W460 WeakPolarHBondContact CB-O 3.48Å; R447-W460 WeakPolarHBondContact CG-O 3.45Å; F448-W460 HydrophobicContact CD1-CB 3.97Å; F448-W460 HydrophobicContact CD2-CB 4.13Å; F448-W460 AromaticContact CD2-CD1 3.59Å; F448-W460 HydrophobicContact CD2-CG 4.12Å; F448-W460 HydrophobicContact CE1-CB 3.52Å; F448-W460 HydrophobicContact CE1-CG 4.2Å; F448-W460 HydrophobicContact CE2-CB 3.71Å; F448-W460 AromaticContact CE2-CD1 3.17Å; F448-W460 HydrophobicContact CE2-CD2 4.38Å; F448-W460 AromaticContact CE2-CG 3.49Å; F448-W460 HydrophobicContact CE2-CG 3.49Å; F448-W460 VanDerWaalsContact CE2-CG 3.49Å; F448-W460 AromaticContact CE2-NE1 3.88Å; F448-W460 HydrophobicContact CG-CB 4.26Å; F448-W460 HydrophobicContact CZ-CB 3.38Å; F448-W460 AromaticContact CZ-CD1 3.74Å; F448-W460 HydrophobicContact CZ-CD2 4.33Å; F448-W460 AromaticContact CZ-CG 3.53Å; F448-W460 HydrophobicContact CZ-CG 3.53Å; F448-W460 PolarHBondContact N-O 3.34Å; F448-W460 PolarHBondContact O-N 2.86Å; S450-W460 PolarHBondContact OG-NE1 3.21Å; R458-W460 HydrophobicContact CB-CZ2 3.89Å; R458-W460 HydrophobicContact CG-CZ2 4.43Å; W460-P465 WeakPolarHBondContact CZ3-O 3.39Å; W460-D467 HydrophobicContact CD2-CB 4.19Å; W460-D467 HydrophobicContact CE3-CB 3.9Å; W460-D467 HydrophobicContact CH2-CB 4.16Å; W460-D467 HydrophobicContact CZ2-CB 4.37Å; W460-D467 HydrophobicContact CZ3-CB 3.88Å
461	E	92.9	Very high	91.2	Very high	33 Å²	33	42.6 Å²	42.6	15%	0.154	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	142.6	157.6	-81.3	-172.9	-154.9	0	0	108.9	R446 R447 D463 I464 T468	R446-E461 IonicContact CZ-OE2 3.99Å; R446-E461 IonicContact NE-OE2 3.69Å; R446-E461 IonicContact NH2-OE1 2.68Å; R446-E461 IonicContact NH2-OE2 3Å; R446-E461 PolarHBondContact NH2-OE2 3.42Å; R447-E461 HydrophobicContact CG-CG 3.8Å; R447-E461 IonicContact CZ-OE1 2.92Å; R447-E461 IonicContact NE-OE1 3.81Å; R447-E461 PolarHBondContact NE-OE1 3.27Å; R447-E461 IonicContact NH2-OE1 3.43Å; R447-E461 PolarHBondContact NH2-OE1 3.26Å; E461-D463 PolarHBondContact O-N 3.23Å; E461-I464 HydrophobicContact CB-CB 4.29Å; E461-I464 HydrophobicContact CB-CD1 3.96Å; E461-I464 HydrophobicContact CB-CG1 4.38Å; E461-I464 PolarHBondContact O-N 2.9Å; E461-T468 HydrophobicContact CB-CG2 4.35Å; E461-T468 HydrophobicContact CG-CG2 3.82Å
462	W	93	Very high	90.9	Very high	21 Å²	21	47 Å²	47	8%	0.08	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	138	177.1	-178.7	-95.9	0	0	0	110.8	N397 L405 L407 Q417 F441 R446 F448 I464	N397-W462 HydrophobicContact CB-CH2 3.83Å; N397-W462 HydrophobicContact CB-CZ2 4.16Å; N397-W462 HydrophobicContact CB-CZ3 4.32Å; N397-W462 VanDerWaalsContact ND2-CE2 3.25Å; N397-W462 WeakPolarHBondContact ND2-CZ2 3.36Å; L405-W462 HydrophobicContact CB-CH2 4.06Å; L405-W462 HydrophobicContact CB-CZ2 3.79Å; L405-W462 HydrophobicContact CD1-CZ2 3.79Å; L405-W462 HydrophobicContact CG-CZ2 4.43Å; L407-W462 HydrophobicContact CD1-CZ3 3.84Å; L407-W462 HydrophobicContact CD2-CH2 4.34Å; L407-W462 HydrophobicContact CD2-CZ3 3.95Å; L407-W462 HydrophobicContact CG-CH2 4.34Å; L407-W462 HydrophobicContact CG-CZ3 3.79Å; Q417-W462 HydrophobicContact CG-CH2 4.25Å; F441-W462 AromaticContact CE1-CE3 3.59Å; F441-W462 HydrophobicContact CE1-CE3 3.59Å; F441-W462 AromaticContact CE1-CZ3 3.61Å; F441-W462 HydrophobicContact CE1-CZ3 3.61Å; F441-W462 HydrophobicContact CZ-CE3 4.07Å; F441-W462 HydrophobicContact CZ-CH2 4.47Å; F441-W462 AromaticContact CZ-CZ3 3.58Å; F441-W462 HydrophobicContact CZ-CZ3 3.58Å; R446-W462 WeakPolarHBondContact O-CB 3.24Å; R446-W462 PolarHBondContact O-N 3.39Å; F448-W462 HydrophobicContact CD1-CE3 4.22Å; F448-W462 HydrophobicContact CE1-CE3 4.36Å; W462-I464 PolarHBondContact O-N 3.46Å; W462-I464 VanDerWaalsContact O-N 3.16Å
463	D	91.7	Very high	90.3	Very high	69 Å²	69	50.4 Å²	50.4	37%	0.369	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.8	2.4	-176.3	-61.2	-31	0	0	0	116.3	Q417 Y429 E461	Q417-D463 PolarHBondContact NE2-OD1 2.95Å; Q417-D463 PolarHBondContact OE1-OD1 3.3Å; Y429-D463 WeakPolarHBondContact OH-CA 3.47Å; Y429-D463 PolarHBondContact OH-N 3.39Å; E461-D463 PolarHBondContact O-N 3.23Å
464	I	94	Very high	90.1	Very high	78 Å²	78	52.3 Å²	52.3	40%	0.4	28%	0.275	S	S	.	.			trans	-110.7	115	-178.9	-57.6	178	0	0	0	110.1	Y429 E461 W462 V466	Y429-I464 WeakPolarHBondContact CE1-O 3.24Å; E461-I464 HydrophobicContact CB-CB 4.29Å; E461-I464 HydrophobicContact CB-CD1 3.96Å; E461-I464 HydrophobicContact CB-CG1 4.38Å; E461-I464 PolarHBondContact O-N 2.9Å; W462-I464 PolarHBondContact O-N 3.46Å; W462-I464 VanDerWaalsContact O-N 3.16Å; I464-V466 HydrophobicContact CG2-CB 4.24Å; I464-V466 PolarHBondContact O-N 2.98Å
465	P	94.7	Very high	89.5	Confident	45 Å²	45	51.2 Å²	51.2	29%	0.292	27%	0.273	S	S	.	.			trans	-74	12.8	-175.5	31.4	-37.4	0	0	0	115.1	E428 W460	E428-P465 VanDerWaalsContact O-CB 3.29Å; E428-P465 WeakPolarHBondContact O-CB 3.46Å; W460-P465 WeakPolarHBondContact CZ3-O 3.39Å
466	V	94.3	Very high	88.9	Confident	75 Å²	75	46.9 Å²	46.9	46%	0.455	25%	0.254	S	S	.	.	S	Bend	trans	-111	128	179.6	-177.4	0	0	0	0	108.6	I464 T468	I464-V466 HydrophobicContact CG2-CB 4.24Å; I464-V466 PolarHBondContact O-N 2.98Å; V466-T468 PolarHBondContact O-N 2.7Å
467	D	92.1	Very high	88.4	Confident	37 Å²	37	52 Å²	52	20%	0.198	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	123.5	175.5	54.6	-29.4	0	0	0	110.1	R458 I459 W460 K469	R458-D467 HydrophobicContact CB-CB 4.19Å; R458-D467 VanDerWaalsContact CD-OD2 3.28Å; R458-D467 WeakPolarHBondContact CD-OD2 3.3Å; R458-D467 HydrophobicContact CG-CB 4.38Å; R458-D467 IonicContact NE-OD2 3.94Å; R458-D467 PolarHBondContact NE-OD2 3.48Å; I459-D467 CarbonylContact O-C 3.57Å; I459-D467 WeakPolarHBondContact O-CA 3.4Å; W460-D467 HydrophobicContact CD2-CB 4.19Å; W460-D467 HydrophobicContact CE3-CB 3.9Å; W460-D467 HydrophobicContact CH2-CB 4.16Å; W460-D467 HydrophobicContact CZ2-CB 4.37Å; W460-D467 HydrophobicContact CZ3-CB 3.88Å; D467-K469 VanDerWaalsContact C-N 3.3Å
468	T	90.1	Very high	87.9	Confident	68 Å²	68	53.1 Å²	53.1	42%	0.417	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	-29.5	177.4	59.5	0	0	0	0	112.2	I459 E461 V466	I459-T468 WeakPolarHBondContact CG2-OG1 3.43Å; I459-T468 PolarHBondContact O-N 2.8Å; I459-T468 PolarHBondContact O-OG1 2.83Å; E461-T468 HydrophobicContact CB-CG2 4.35Å; E461-T468 HydrophobicContact CG-CG2 3.82Å; V466-T468 PolarHBondContact O-N 2.7Å
469	K	89.4	Confident	87.3	Confident	104 Å²	104	52.4 Å²	52.4	45%	0.452	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	126.2	-179	-176.4	172.4	-179	-179.3	0	110.6	I459 D467 I471	I459-K469 HydrophobicContact CB-CB 4.19Å; I459-K469 HydrophobicContact CD1-CB 4.22Å; I459-K469 HydrophobicContact CD1-CD 4.2Å; I459-K469 HydrophobicContact CD1-CG 4.47Å; I459-K469 PolarHBondContact N-O 2.84Å; I459-K469 PolarHBondContact O-N 3.33Å; D467-K469 VanDerWaalsContact C-N 3.3Å; K469-I471 HydrophobicContact CG-CG1 4.44Å
470	M	88.1	Confident	86.9	Confident	95 Å²	95	52.8 Å²	52.8	47%	0.468	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	134.1	170.4	-173	179.1	73.5	0	0	109.8	R458 Q472	R458-M470 HydrophobicContact CG-CG 4.38Å; M470-Q472 HydrophobicContact CE-CG 4.48Å; M470-Q472 HydrophobicContact CG-CG 4Å; M470-Q472 VanDerWaalsContact SD-CD 3.5Å; M470-Q472 HydrophobicContact SD-CG 4.26Å; M470-Q472 PolarHBondContact SD-NE2 2.99Å
471	I	87.8	Confident	86.2	Confident	13 Å²	13	53 Å²	53	7%	0.067	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	115.3	175.9	-79.5	164.5	0	0	0	107.4	S456 M457 I459 K469 L476 I507	S456-I471 WeakPolarHBondContact CA-O 3.36Å; M457-I471 HydrophobicContact CB-CB 4.11Å; M457-I471 HydrophobicContact CB-CG2 4.1Å; M457-I471 HydrophobicContact CE-CB 4.25Å; M457-I471 HydrophobicContact CE-CD1 3.27Å; M457-I471 HydrophobicContact CE-CG1 4.33Å; M457-I471 HydrophobicContact CE-CG2 4.16Å; M457-I471 PolarHBondContact N-O 3.08Å; M457-I471 WeakPolarHBondContact O-CB 3.09Å; M457-I471 PolarHBondContact O-N 3.44Å; I459-I471 HydrophobicContact CD1-CD1 4.43Å; K469-I471 HydrophobicContact CG-CG1 4.44Å; I471-L476 HydrophobicContact CG2-CD1 4.21Å; I471-I507 HydrophobicContact CB-CD1 4.14Å; I471-I507 HydrophobicContact CD1-CB 4.18Å; I471-I507 HydrophobicContact CD1-CD1 4.01Å; I471-I507 HydrophobicContact CD1-CG2 3.66Å; I471-I507 HydrophobicContact CG1-CD1 4.06Å; I471-I507 HydrophobicContact CG1-CG2 4.26Å; I471-I507 HydrophobicContact CG2-CD1 3.06Å
472	Q	85.4	Confident	85.5	Confident	93 Å²	93	51.8 Å²	51.8	44%	0.435	28%	0.28	S	S	.	.			trans	-147.2	137	177.8	-72.2	177.1	-4	0	0	108.1	M470	M470-Q472 HydrophobicContact CE-CG 4.48Å; M470-Q472 HydrophobicContact CG-CG 4Å; M470-Q472 VanDerWaalsContact SD-CD 3.5Å; M470-Q472 HydrophobicContact SD-CG 4.26Å; M470-Q472 PolarHBondContact SD-NE2 2.99Å
473	D	79.9	Confident	84.8	Confident	71 Å²	71	51.8 Å²	51.8	38%	0.38	28%	0.282	S	S	.	.			trans	-148.4	133.6	174.2	176.1	-18.5	0	0	0	106.4	G475 L476	D473-G475 PolarHBondContact O-N 3.28Å; D473-G475 PolarHBondContact OD1-N 2.87Å; D473-L476 HydrophobicContact CB-CD1 3.81Å; D473-L476 HydrophobicContact CB-CG 3.9Å; D473-L476 WeakPolarHBondContact O-CB 2.93Å; D473-L476 PolarHBondContact O-N 3.27Å
474	P	85.8	Confident	84.2	Confident	124 Å²	124	50.6 Å²	50.6	81%	0.805	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-25.4	176.1	-27.1	34.4	0	0	0	114.4	L476	P474-L476 VanDerWaalsContact C-N 3.31Å
475	G	78.2	Confident	83	Confident	17 Å²	17	47.5 Å²	47.5	18%	0.175	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-10.3	175	0	0	0	0	0	115	D473	D473-G475 PolarHBondContact O-N 3.28Å; D473-G475 PolarHBondContact OD1-N 2.87Å
476	L	74.7	Confident	81.6	Confident	1 Å²	1	49.3 Å²	49.3	1%	0.005	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-83.7	141.8	175	-67.2	170.2	0	0	0	110.6	K455 I471 D473 P474 M479 L499 L505	K455-L476 WeakPolarHBondContact CD-O 3.4Å; I471-L476 HydrophobicContact CG2-CD1 4.21Å; D473-L476 HydrophobicContact CB-CD1 3.81Å; D473-L476 HydrophobicContact CB-CG 3.9Å; D473-L476 WeakPolarHBondContact O-CB 2.93Å; D473-L476 PolarHBondContact O-N 3.27Å; P474-L476 VanDerWaalsContact C-N 3.31Å; L476-M479 HydrophobicContact CB-CE 4.48Å; L476-M479 HydrophobicContact CD1-CE 3.97Å; L476-M479 HydrophobicContact CD2-CE 3.7Å; L476-M479 HydrophobicContact CG-CE 4.28Å; L476-L499 HydrophobicContact CD2-CD1 3.36Å; L476-L499 HydrophobicContact CD2-CD2 4.25Å; L476-L499 HydrophobicContact CD2-CG 4.46Å; L476-L505 HydrophobicContact CD2-CB 3.69Å; L476-L505 HydrophobicContact CD2-CD1 4.35Å
477	Y	78.8	Confident	79.6	Confident	107 Å²	107	47.7 Å²	47.7	42%	0.42	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-102.3	171.4	168.7	-76.2	-97.6	0	0	0	110.1	M479 L499 T502	Y477-M479 PolarHBondContact O-N 3.22Å; Y477-L499 WeakPolarHBondContact O-CD2 3.3Å; Y477-T502 WeakPolarHBondContact CE2-OG1 3.49Å
478	S	78.2	Confident	76.9	Confident	29 Å²	29	55.2 Å²	55.2	20%	0.203	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-55.6	139.4	176.4	180	0	0	0	0	110.2	N437 D453 P480 P500	N437-S478 PolarHBondContact ND2-OG 2.81Å; N437-S478 VanDerWaalsContact ND2-OG 3.13Å; D453-S478 PolarHBondContact OD1-OG 2.64Å; S478-P480 WeakPolarHBondContact O-CD 3.49Å; S478-P500 VanDerWaalsContact O-CD 3.3Å; S478-P500 WeakPolarHBondContact O-CD 3.28Å
479	M	79.4	Confident	74.2	Confident	2 Å²	2	58 Å²	58	1%	0.01	31%	0.311	C	S	.	.			trans	-108	88.9	-178.7	-62.1	174.1	-175.4	0	0	108.2	T451 M457 L476 Y477 S481 I497 L499	T451-M479 VanDerWaalsContact CB-O 3.23Å; T451-M479 WeakPolarHBondContact CB-O 3.36Å; T451-M479 HydrophobicContact CG2-CB 3.73Å; T451-M479 HydrophobicContact CG2-SD 4.07Å; T451-M479 PolarHBondContact OG1-O 3.31Å; M457-M479 HydrophobicContact CB-SD 4.21Å; M457-M479 HydrophobicContact SD-SD 4.35Å; L476-M479 HydrophobicContact CB-CE 4.48Å; L476-M479 HydrophobicContact CD1-CE 3.97Å; L476-M479 HydrophobicContact CD2-CE 3.7Å; L476-M479 HydrophobicContact CG-CE 4.28Å; Y477-M479 PolarHBondContact O-N 3.22Å; M479-S481 VanDerWaalsContact C-N 3.3Å; M479-S481 PolarHBondContact O-N 2.86Å; M479-I497 HydrophobicContact CB-CG2 4.27Å; M479-I497 HydrophobicContact CE-CD1 3.85Å; M479-I497 HydrophobicContact CE-CG2 3.69Å; M479-I497 HydrophobicContact CG-CG2 3.56Å; M479-I497 HydrophobicContact SD-CB 4.46Å; M479-I497 HydrophobicContact SD-CD1 3.89Å; M479-I497 HydrophobicContact SD-CG1 4.3Å; M479-I497 HydrophobicContact SD-CG2 3.37Å; M479-I497 WeakPolarHBondContact SD-CG2 3.23Å; M479-L499 HydrophobicContact CE-CD1 4.35Å; M479-L499 HydrophobicContact CE-CD2 3.94Å; M479-L499 HydrophobicContact CE-CG 4.46Å; M479-L499 HydrophobicContact CG-CD2 3.68Å
480	P	82	Confident	71.3	Confident	26 Å²	26	56.3 Å²	56.3	17%	0.169	32%	0.317	C	S	.	.			trans	-74.1	-23	-173.7	28.5	-35.7	0	0	0	113.3	S478	S478-P480 WeakPolarHBondContact O-CD 3.49Å
481	S	79.1	Confident	68.5	Low	5 Å²	5	62 Å²	62	4%	0.035	34%	0.339	C	S	.	.			trans	-137.7	134	-179.7	-178.9	0	0	0	0	110	M479 V524 D525 Y526	M479-S481 VanDerWaalsContact C-N 3.3Å; M479-S481 PolarHBondContact O-N 2.86Å; S481-V524 WeakPolarHBondContact CB-O 3.32Å; S481-D525 WeakPolarHBondContact CB-OD1 3.16Å; S481-D525 WeakPolarHBondContact OG-CA 3.44Å; S481-D525 PolarHBondContact OG-OD1 2.92Å; S481-Y526 PolarHBondContact OG-N 3.31Å
482	V	79.6	Confident	65.5	Low	8 Å²	8	66.8 Å²	66.8	5%	0.048	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	142.5	172.4	-180	0	0	0	0	108	S438 T440 T451 I495	S438-V482 PolarHBondContact OG-N 2.86Å; T440-V482 HydrophobicContact CG2-CB 3.91Å; T440-V482 HydrophobicContact CG2-CG1 3.89Å; T440-V482 WeakPolarHBondContact CG2-O 3.19Å; T440-V482 WeakPolarHBondContact OG1-CG1 3.28Å; T451-V482 HydrophobicContact CG2-CG2 3.37Å; V482-I495 HydrophobicContact CG1-CG2 3.29Å
483	T	78.2	Confident	63	Low	20 Å²	20	68.1 Å²	68.1	12%	0.123	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	143.2	-180	39.6	0	0	0	0	110.1	V496 Y526 C527	T483-V496 PolarHBondContact O-N 3.35Å; T483-Y526 HydrophobicContact CG2-CD1 3.84Å; T483-C527 VanDerWaalsContact CB-O 3.27Å; T483-C527 WeakPolarHBondContact CB-O 3.43Å; T483-C527 PolarHBondContact OG1-N 3.23Å; T483-C527 PolarHBondContact OG1-O 3.24Å
484	L	77.6	Confident	61	Low	45 Å²	45	66.2 Å²	66.2	24%	0.236	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	140.9	175.3	-169.3	68.7	0	0	0	109.7	F441 F442 W493	F441-L484 WeakPolarHBondContact O-CD2 3.19Å; F442-L484 HydrophobicContact CB-CD1 3.79Å; L484-W493 HydrophobicContact CD1-CE3 3.97Å; L484-W493 HydrophobicContact CD2-CE3 3.86Å; L484-W493 HydrophobicContact CD2-CZ3 3.78Å; L484-W493 HydrophobicContact CG-CE3 4.18Å; L484-W493 HydrophobicContact CG-CZ3 4.48Å
485	S	70.3	Confident	59.1	Low	13 Å²	13	61.5 Å²	61.5	9%	0.091	32%	0.324	C	S	.	.			trans	-83.9	137.5	177.4	74.2	0	0	0	0	112.1	T494 M529	S485-T494 PolarHBondContact OG-O 3.47Å; S485-M529 VanDerWaalsContact CB-CE 3.46Å
486	N	64.3	Low	57.7	Low	83 Å²	83	61.3 Å²	61.3	44%	0.444	32%	0.319	S	S	.	.	B	Isolated β-bridge	trans	-95.2	94	174	-65.8	-1.6	0	0	0	110.2	F528	N486-F528 VanDerWaalsContact ND2-CZ 3.33Å; N486-F528 WeakPolarHBondContact ND2-CZ 3.44Å
487	G	52.6	Low	56.4	Low	40 Å²	40	62 Å²	62	41%	0.412	32%	0.323	S	S	.	.			trans	81	113.7	156.4	0	0	0	0	0	120.7
488	W	36.2	Very low	54.9	Low	196 Å²	196	58.1 Å²	58.1	74%	0.742	31%	0.309	S	S	*	.			trans	-150.5	152.6	140.8	-105.7	76.6	0	0	0	106	A490 F531	W488-A490 PolarHBondContact O-N 3.31Å; W488-F531 PolarHBondContact NE1-O 2.94Å; W488-F531 VanDerWaalsContact NE1-O 3.11Å
489	P	33.6	Very low	52.8	Low	126 Å²	126	57 Å²	57	82%	0.818	30%	0.301	S	S	*	.	S	Bend	trans	-75	90.5	-173.5	32.6	-33.9	0	0	0	110
490	A	28.5	Very low	50.7	Low	68 Å²	68	58.2 Å²	58.2	56%	0.562	31%	0.309	S	S	*	.	S	Bend	trans	-146.7	139	155.7	0	0	0	0	0	106	W488 L492	W488-A490 PolarHBondContact O-N 3.31Å; A490-L492 HydrophobicContact CB-CB 4.4Å; A490-L492 PolarHBondContact O-N 2.89Å
491	K	28.1	Very low	48.2	Very low	215 Å²	215	58.6 Å²	58.6	94%	0.935	31%	0.314	S	S	*	.	S	Bend	trans	-62.6	31.6	172.3	-66.6	172.9	172.6	177.2	0	112.9
492	L	25.6	Very low	45.8	Very low	113 Å²	113	62.1 Å²	62.1	59%	0.592	34%	0.335	S	S	*	.			trans	-135.7	90	-174.1	-85	154.4	0	0	0	108.2	A490 T494	A490-L492 HydrophobicContact CB-CB 4.4Å; A490-L492 PolarHBondContact O-N 2.89Å; L492-T494 PolarHBondContact O-N 3.3Å; L492-T494 VanDerWaalsContact O-N 3.14Å; L492-T494 PolarHBondContact O-OG1 3.35Å
493	W	31.6	Very low	43.3	Very low	121 Å²	121	70.1 Å²	70.1	46%	0.458	37%	0.365	S	S	.	.			trans	-53.5	115.3	165.4	-61.4	85.1	0	0	0	108.5	Q444 L484	Q444-W493 HydrophobicContact CG-CZ2 3.89Å; L484-W493 HydrophobicContact CD1-CE3 3.97Å; L484-W493 HydrophobicContact CD2-CE3 3.86Å; L484-W493 HydrophobicContact CD2-CZ3 3.78Å; L484-W493 HydrophobicContact CG-CE3 4.18Å; L484-W493 HydrophobicContact CG-CZ3 4.48Å
494	T	37.7	Very low	41	Very low	32 Å²	32	69.7 Å²	69.7	20%	0.196	36%	0.363	C	S	.	.			trans	-94.6	113.6	180	-56.4	0	0	0	0	108.7	S485 L492 V496 L506 W548	S485-T494 PolarHBondContact OG-O 3.47Å; L492-T494 PolarHBondContact O-N 3.3Å; L492-T494 VanDerWaalsContact O-N 3.14Å; L492-T494 PolarHBondContact O-OG1 3.35Å; T494-V496 PolarHBondContact O-N 3.22Å; T494-L506 HydrophobicContact CG2-CD2 3.96Å; T494-L506 HydrophobicContact CG2-CG 4.42Å; T494-W548 HydrophobicContact CG2-CH2 4.34Å; T494-W548 HydrophobicContact CG2-CZ2 4.33Å
495	I	47	Very low	38.8	Very low	25 Å²	25	70.1 Å²	70.1	13%	0.128	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	114.5	169.8	-61.1	175.9	0	0	0	106.6	F442 C449 M457 V482 I497	F442-I495 HydrophobicContact CD1-CD1 4.29Å; F442-I495 HydrophobicContact CG-CD1 4.39Å; C449-I495 HydrophobicContact CB-CD1 3.79Å; M457-I495 HydrophobicContact SD-CG2 4.43Å; V482-I495 HydrophobicContact CG1-CG2 3.29Å; I495-I497 HydrophobicContact CG2-CG1 4.03Å; I495-I497 PolarHBondContact O-N 2.9Å
496	V	47.7	Very low	36.9	Very low	12 Å²	12	71.1 Å²	71.1	7%	0.073	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	114.6	175.6	-175.1	0	0	0	0	108	T483 T494 C527 W548	T483-V496 PolarHBondContact O-N 3.35Å; T494-V496 PolarHBondContact O-N 3.22Å; V496-C527 HydrophobicContact CG1-CB 4.26Å; V496-C527 VanDerWaalsContact CG1-SG 3.55Å; V496-W548 HydrophobicContact CG1-CZ3 4.35Å; V496-W548 HydrophobicContact CG2-CH2 4Å; V496-W548 HydrophobicContact CG2-CZ3 4.12Å
497	I	49.1	Very low	35.5	Very low	17 Å²	17	70.3 Å²	70.3	9%	0.087	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	115.1	178.8	-53.3	171.2	0	0	0	107.9	M457 M479 I495 L499	M457-I497 HydrophobicContact CE-CD1 3.99Å; M457-I497 HydrophobicContact SD-CD1 3.67Å; M457-I497 HydrophobicContact SD-CG1 4.31Å; M479-I497 HydrophobicContact CB-CG2 4.27Å; M479-I497 HydrophobicContact CE-CD1 3.85Å; M479-I497 HydrophobicContact CE-CG2 3.69Å; M479-I497 HydrophobicContact CG-CG2 3.56Å; M479-I497 HydrophobicContact SD-CB 4.46Å; M479-I497 HydrophobicContact SD-CD1 3.89Å; M479-I497 HydrophobicContact SD-CG1 4.3Å; M479-I497 HydrophobicContact SD-CG2 3.37Å; M479-I497 WeakPolarHBondContact SD-CG2 3.23Å; I495-I497 HydrophobicContact CG2-CG1 4.03Å; I495-I497 PolarHBondContact O-N 2.9Å; I497-L499 HydrophobicContact CG2-CD1 4.35Å; I497-L499 HydrophobicContact CG2-CD2 4.35Å; I497-L499 HydrophobicContact CG2-CG 3.88Å
498	L	45.6	Very low	34.4	Very low	25 Å²	25	70.7 Å²	70.7	13%	0.131	36%	0.361	C	S	.	.			trans	-88.4	105.4	167.2	-78.3	168.8	0	0	0	108.5	C527	L498-C527 HydrophobicContact CD1-CB 3.59Å; L498-C527 HydrophobicContact CG-CB 4.14Å
499	L	34	Very low	33.9	Very low	4 Å²	4	72.5 Å²	72.5	2%	0.021	37%	0.368	C	S	.	.			trans	-88.3	129.4	175.6	-78.3	160.4	0	0	0	110.3	L476 Y477 M479 I497 A501 R503 A516	L476-L499 HydrophobicContact CD2-CD1 3.36Å; L476-L499 HydrophobicContact CD2-CD2 4.25Å; L476-L499 HydrophobicContact CD2-CG 4.46Å; Y477-L499 WeakPolarHBondContact O-CD2 3.3Å; M479-L499 HydrophobicContact CE-CD1 4.35Å; M479-L499 HydrophobicContact CE-CD2 3.94Å; M479-L499 HydrophobicContact CE-CG 4.46Å; M479-L499 HydrophobicContact CG-CD2 3.68Å; I497-L499 HydrophobicContact CG2-CD1 4.35Å; I497-L499 HydrophobicContact CG2-CD2 4.35Å; I497-L499 HydrophobicContact CG2-CG 3.88Å; L499-A501 PolarHBondContact O-N 3.46Å; L499-R503 WeakPolarHBondContact CD1-O 3.27Å; L499-A516 WeakPolarHBondContact O-CB 3.33Å
500	P	36.3	Very low	33.6	Very low	29 Å²	29	77.7 Å²	77.7	19%	0.188	37%	0.371	C	S	.	.	S	Bend	trans	-71	123.8	170.9	27.7	-30.1	0	0	0	109.6	S478 L519	S478-P500 VanDerWaalsContact O-CD 3.3Å; S478-P500 WeakPolarHBondContact O-CD 3.28Å; P500-L519 HydrophobicContact CB-CB 3.89Å
501	A	30.3	Very low	33.5	Very low	34 Å²	34	79.1 Å²	79.1	28%	0.281	37%	0.368	S	S	.	.	S	Bend	trans	46	106.9	168.4	0	0	0	0	0	116.6	L499	L499-A501 PolarHBondContact O-N 3.46Å
502	T	27.9	Very low	33.5	Very low	78 Å²	78	70.1 Å²	70.1	48%	0.479	33%	0.332	S	S	.	.	S	Bend	trans	82.3	113.6	177.6	72.7	0	0	0	0	115	Y477	Y477-T502 WeakPolarHBondContact CE2-OG1 3.49Å
503	R	27	Very low	33.5	Very low	177 Å²	177	75.2 Å²	75.2	67%	0.668	34%	0.343	S	S	*	.			trans	64.7	80.4	170.4	-59.7	-177.4	173.9	-177.4	0.3	116.4	L499 L505	L499-R503 WeakPolarHBondContact CD1-O 3.27Å; R503-L505 PolarHBondContact O-N 3.27Å
504	A	29.6	Very low	33.2	Very low	10 Å²	10	79 Å²	79	8%	0.083	36%	0.363	C	S	.	.			trans	-59	116	157.2	0	0	0	0	0	110.6	C512 L515	A504-C512 CarbonylContact O-C 3.51Å; A504-L515 HydrophobicContact CB-CB 3.61Å
505	L	31.1	Very low	32.9	Very low	55 Å²	55	79.2 Å²	79.2	29%	0.288	36%	0.363	S	S	.	.			trans	-114.5	115.9	179.5	-138.3	151.1	0	0	0	109.1	L476 R503 I507	L476-L505 HydrophobicContact CD2-CB 3.69Å; L476-L505 HydrophobicContact CD2-CD1 4.35Å; R503-L505 PolarHBondContact O-N 3.27Å; L505-I507 HydrophobicContact CD2-CD1 4.24Å; L505-I507 HydrophobicContact CD2-CG1 3.65Å
506	L	31.2	Very low	32.1	Very low	34 Å²	34	79.3 Å²	79.3	18%	0.178	37%	0.367	C	S	.	.			trans	-94.4	111.8	177.3	-154.8	155	0	0	0	106.5	T494 S508 C512 W548	T494-L506 HydrophobicContact CG2-CD2 3.96Å; T494-L506 HydrophobicContact CG2-CG 4.42Å; L506-S508 PolarHBondContact O-N 3.08Å; L506-C512 HydrophobicContact CB-CB 3.72Å; L506-C512 HydrophobicContact CD1-CB 3.93Å; L506-W548 HydrophobicContact CD1-CH2 3.76Å; L506-W548 HydrophobicContact CD1-CZ2 4.31Å
507	I	35.1	Very low	31	Very low	66 Å²	66	90.6 Å²	90.6	34%	0.338	41%	0.408	S	S	.	.	S	Bend	trans	-90.6	65.5	-178.5	-65.1	162.4	0	0	0	108.7	I471 L505	I471-I507 HydrophobicContact CB-CD1 4.14Å; I471-I507 HydrophobicContact CD1-CB 4.18Å; I471-I507 HydrophobicContact CD1-CD1 4.01Å; I471-I507 HydrophobicContact CD1-CG2 3.66Å; I471-I507 HydrophobicContact CG1-CD1 4.06Å; I471-I507 HydrophobicContact CG1-CG2 4.26Å; I471-I507 HydrophobicContact CG2-CD1 3.06Å; L505-I507 HydrophobicContact CD2-CD1 4.24Å; L505-I507 HydrophobicContact CD2-CG1 3.65Å
508	S	28.8	Very low	29.9	Very low	48 Å²	48	100.5 Å²	100.5	34%	0.336	45%	0.445	S	S	.	.	S	Bend	trans	-151.7	128	143	83.9	0	0	0	0	107.4	L506	L506-S508 PolarHBondContact O-N 3.08Å
509	R	27.1	Very low	29	Very low	233 Å²	233	100.4 Å²	100.4	88%	0.879	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	26.9	95	178.1	-70.9	-178.5	172.1	-175.5	-2.5	116.4	I511	R509-I511 VanDerWaalsContact C-N 3.35Å; R509-I511 VanDerWaalsContact O-CD1 3.28Å; R509-I511 WeakPolarHBondContact O-CD1 3.13Å; R509-I511 PolarHBondContact O-N 3.37Å
510	R	25.6	Very low	28.6	Very low	236 Å²	236	103.3 Å²	103.3	89%	0.891	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	51	19.4	148.8	-79.5	-171.7	-178.1	174.3	1.7	119.5
511	I	26.2	Very low	28.3	Very low	97 Å²	97	110 Å²	110	50%	0.497	50%	0.499	S	S	.	.			trans	-140.5	92.5	175.8	-62.3	94.5	0	0	0	112.5	R509	R509-I511 VanDerWaalsContact C-N 3.35Å; R509-I511 VanDerWaalsContact O-CD1 3.28Å; R509-I511 WeakPolarHBondContact O-CD1 3.13Å; R509-I511 PolarHBondContact O-N 3.37Å
512	C	28.9	Very low	28.2	Very low	27 Å²	27	109.9 Å²	109.9	18%	0.182	50%	0.495	C	S	.	.			trans	178.6	115	142.4	-104.5	0	0	0	0	107	A504 L506	A504-C512 CarbonylContact O-C 3.51Å; L506-C512 HydrophobicContact CB-CB 3.72Å; L506-C512 HydrophobicContact CD1-CB 3.93Å
513	R	26.4	Very low	28.6	Very low	220 Å²	220	107.4 Å²	107.4	83%	0.83	48%	0.481	S	S	*	.			trans	-128.8	3	-177.4	-70.6	-174.6	-177.3	174.8	0.2	113.7
514	K	25	Very low	29	Very low	201 Å²	201	99.5 Å²	99.5	87%	0.874	45%	0.452	S	S	*	.			trans	-139.1	23.1	-165.6	-85	-169.9	177.8	-179.9	0	116.9
515	L	31.6	Very low	29.7	Very low	35 Å²	35	99.7 Å²	99.7	18%	0.183	45%	0.452	C	S	.	.			trans	-93.6	138.1	167.5	-91.6	103.6	0	0	0	111.1	A504 W546	A504-L515 HydrophobicContact CB-CB 3.61Å; L515-W546 HydrophobicContact CD2-CD2 4.08Å; L515-W546 HydrophobicContact CD2-CE3 4.26Å; L515-W546 HydrophobicContact CD2-CG 4.41Å; L515-W546 HydrophobicContact CG-CE3 4.41Å; L515-W546 HydrophobicContact CG-CZ3 4.44Å
516	A	30.1	Very low	30.3	Very low	27 Å²	27	97.3 Å²	97.3	22%	0.223	44%	0.439	C	S	.	.			trans	85.6	100.3	171.9	0	0	0	0	0	119.2	L499 L519	L499-A516 WeakPolarHBondContact O-CB 3.33Å; A516-L519 HydrophobicContact CB-CD1 4.16Å
517	R	24.7	Very low	30.7	Very low	249 Å²	249	95.8 Å²	95.8	94%	0.94	43%	0.431	S	S	*	.	S	Bend	trans	-107	131.3	148.8	-82.6	-178.7	176.5	159.8	-2.2	107.9
518	R	25.1	Very low	31.3	Very low	225 Å²	225	94.4 Å²	94.4	85%	0.849	42%	0.423	S	S	*	.			trans	54.1	85.2	-179.1	-78.1	-176.1	-179.3	160.3	0.3	115.2
519	L	27.6	Very low	32.1	Very low	24 Å²	24	92.5 Å²	92.5	13%	0.126	41%	0.409	C	S	.	.			trans	-120.1	101.7	151.8	-85.3	155.5	0	0	0	104.8	P500 A516 V524 D538	P500-L519 HydrophobicContact CB-CB 3.89Å; A516-L519 HydrophobicContact CB-CD1 4.16Å; L519-V524 HydrophobicContact CD2-CB 4.44Å; L519-V524 HydrophobicContact CD2-CG2 3.65Å; L519-D538 HydrophobicContact CD2-CB 4.44Å; L519-D538 WeakPolarHBondContact CD2-OD1 3.46Å
520	S	25.8	Very low	33.4	Very low	64 Å²	64	81.8 Å²	81.8	45%	0.448	37%	0.369	S	S	.	.			trans	-81	115.9	178.2	56.8	0	0	0	0	108.9	V522 S539	S520-V522 WeakPolarHBondContact O-CG2 3.34Å; S520-V522 PolarHBondContact O-N 2.82Å; S520-S539 WeakPolarHBondContact OG-CB 3.39Å; S520-S539 PolarHBondContact OG-OG 3.33Å
521	N	29.2	Very low	35	Very low	169 Å²	169	74.3 Å²	74.3	90%	0.904	34%	0.343	S	S	*	.	S	Bend	trans	37.9	11.2	155.7	-50.3	-0.8	0	0	0	120.4
522	V	29	Very low	37.4	Very low	32 Å²	32	74.5 Å²	74.5	19%	0.194	34%	0.337	C	S	.	.	S	Bend	trans	-119.2	124.9	-177.1	-172.3	0	0	0	0	107.7	S520 V524 V563 W582	S520-V522 WeakPolarHBondContact O-CG2 3.34Å; S520-V522 PolarHBondContact O-N 2.82Å; V522-V524 PolarHBondContact O-N 3.44Å; V522-V563 HydrophobicContact CB-CG1 4.17Å; V522-V563 HydrophobicContact CG1-CB 4.3Å; V522-V563 HydrophobicContact CG1-CG1 3.49Å; V522-V563 VanDerWaalsContact CG1-CG1 3.49Å; V522-V563 HydrophobicContact CG1-CG2 4.21Å; V522-V563 HydrophobicContact CG2-CG2 4.43Å; V522-W582 HydrophobicContact CG1-CH2 3.71Å; V522-W582 HydrophobicContact CG1-CZ2 3.87Å; V522-W582 HydrophobicContact CG1-CZ3 4.31Å; V522-W582 HydrophobicContact CG2-CH2 4.41Å
523	S	34.5	Very low	39.9	Very low	26 Å²	26	74 Å²	74	18%	0.182	33%	0.332	C	S	.	.			trans	-57.1	104.6	175.7	52.7	0	0	0	0	109.5	I565	S523-I565 WeakPolarHBondContact O-CG2 3.21Å
524	V	35.8	Very low	42.5	Very low	12 Å²	12	63.7 Å²	63.7	7%	0.073	29%	0.293	C	S	.	.			trans	-86.6	119.8	162.8	176.4	0	0	0	0	106.1	S481 L519 V522 G537 I565	S481-V524 WeakPolarHBondContact CB-O 3.32Å; L519-V524 HydrophobicContact CD2-CB 4.44Å; L519-V524 HydrophobicContact CD2-CG2 3.65Å; V522-V524 PolarHBondContact O-N 3.44Å; V524-G537 VanDerWaalsContact CG1-C 3.42Å; V524-G537 VanDerWaalsContact CG1-CA 3.45Å; V524-G537 VanDerWaalsContact CG1-O 3.23Å; V524-G537 WeakPolarHBondContact CG1-O 3.16Å; V524-G537 WeakPolarHBondContact CG2-O 3.3Å; V524-I565 CarbonylContact C-O 3.56Å
525	D	44.4	Very low	45.3	Very low	14 Å²	14	54.1 Å²	54.1	8%	0.075	25%	0.251	C	S	.	.	B	Isolated β-bridge	trans	-96.9	137.2	-179.3	-140.9	-5	0	0	0	109.5	S481 I565 G566 V567	S481-D525 WeakPolarHBondContact CB-OD1 3.16Å; S481-D525 WeakPolarHBondContact OG-CA 3.44Å; S481-D525 PolarHBondContact OG-OD1 2.92Å; D525-I565 CarbonylContact C-O 3.42Å; D525-I565 HydrophobicContact CB-CG2 3.71Å; D525-I565 PolarHBondContact N-O 3.2Å; D525-G566 WeakPolarHBondContact O-CA 3.32Å; D525-V567 PolarHBondContact O-N 2.51Å
526	Y	45.1	Very low	47.6	Very low	4 Å²	4	52.8 Å²	52.8	2%	0.016	25%	0.245	C	C	.	.			trans	79.9	109.3	172.2	-40.1	-48.8	0	0	0	117.7	R310 S481 T483 V567 L568	R310-Y526 VanDerWaalsContact CZ-CZ 3.46Å; R310-Y526 PolarHBondContact NH1-OH 3.2Å; R310-Y526 PolarHBondContact NH2-OH 2.97Å; S481-Y526 PolarHBondContact OG-N 3.31Å; T483-Y526 HydrophobicContact CG2-CD1 3.84Å; Y526-V567 WeakPolarHBondContact CB-O 3.09Å; Y526-L568 HydrophobicContact CD1-CD2 4.17Å; Y526-L568 HydrophobicContact CD2-CD2 3.61Å; Y526-L568 HydrophobicContact CD2-CG 3.95Å; Y526-L568 HydrophobicContact CE2-CD2 4.35Å; Y526-L568 HydrophobicContact CG-CD2 3.52Å; Y526-L568 HydrophobicContact CG-CG 4.35Å
527	C	39.2	Very low	50.2	Low	2 Å²	2	51.5 Å²	51.5	1%	0.014	24%	0.235	C	C	.	.			trans	-100.5	112.2	150	160	0	0	0	0	107.7	T483 V496 L498 V534 I535	T483-C527 VanDerWaalsContact CB-O 3.27Å; T483-C527 WeakPolarHBondContact CB-O 3.43Å; T483-C527 PolarHBondContact OG1-N 3.23Å; T483-C527 PolarHBondContact OG1-O 3.24Å; V496-C527 HydrophobicContact CG1-CB 4.26Å; V496-C527 VanDerWaalsContact CG1-SG 3.55Å; L498-C527 HydrophobicContact CD1-CB 3.59Å; L498-C527 HydrophobicContact CG-CB 4.14Å; C527-V534 HydrophobicContact CB-CG1 4.27Å; C527-V534 WeakPolarHBondContact SG-CG1 3.18Å; C527-I535 WeakPolarHBondContact CA-O 3.44Å
528	F	47.5	Very low	53	Low	37 Å²	37	40.7 Å²	40.7	16%	0.162	20%	0.196	C	C	.	.			trans	-95.8	123.7	168.3	-150.7	-103.6	0	0	0	109.2	N486 I530 Y533 W569	N486-F528 VanDerWaalsContact ND2-CZ 3.33Å; N486-F528 WeakPolarHBondContact ND2-CZ 3.44Å; F528-I530 HydrophobicContact CD1-CD1 3.67Å; F528-I530 HydrophobicContact CD1-CG1 3.22Å; F528-I530 HydrophobicContact CE1-CD1 3.4Å; F528-I530 HydrophobicContact CE1-CG1 3.26Å; F528-Y533 VanDerWaalsContact O-O 3.1Å; F528-W569 HydrophobicContact CB-CB 4.04Å; F528-W569 HydrophobicContact CD1-CB 3.57Å; F528-W569 HydrophobicContact CE1-CB 4.35Å; F528-W569 HydrophobicContact CG-CB 4.11Å
529	M	45.9	Very low	55.8	Low	9 Å²	9	31.5 Å²	31.5	4%	0.044	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	104.3	171	-170.8	-176.4	92.2	0	0	107.8	S485 Y533 W548	S485-M529 VanDerWaalsContact CB-CE 3.46Å; M529-Y533 WeakPolarHBondContact CA-O 3.36Å; M529-W548 HydrophobicContact SD-CD2 4.31Å
530	I	52.9	Low	58.6	Low	7 Å²	7	32.1 Å²	32.1	4%	0.036	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	103.2	160.3	-43.7	-164	0	0	0	107.5	C289 F528 R532 Y533 W569	C289-I530 WeakPolarHBondContact SG-CG2 3.42Å; F528-I530 HydrophobicContact CD1-CD1 3.67Å; F528-I530 HydrophobicContact CD1-CG1 3.22Å; F528-I530 HydrophobicContact CE1-CD1 3.4Å; F528-I530 HydrophobicContact CE1-CG1 3.26Å; I530-R532 PolarHBondContact O-N 3.06Å; I530-Y533 PolarHBondContact O-N 3.45Å; I530-W569 HydrophobicContact CD1-CB 3.87Å; I530-W569 HydrophobicContact CD1-CD2 4.31Å; I530-W569 HydrophobicContact CD1-CG 3.54Å; I530-W569 HydrophobicContact CG1-CB 4.18Å; I530-W569 HydrophobicContact CG1-CD2 4.45Å; I530-W569 HydrophobicContact CG1-CG 3.99Å
531	F	60.7	Low	61.5	Low	79 Å²	79	29.1 Å²	29.1	35%	0.346	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	56	-26.6	170.9	-60.3	-61	0	0	0	119.4	A285 P286 W488	A285-F531 HydrophobicContact CB-CE2 4.48Å; P286-F531 WeakPolarHBondContact O-CD2 3.45Å; P286-F531 WeakPolarHBondContact O-CE2 3.35Å; W488-F531 PolarHBondContact NE1-O 2.94Å; W488-F531 VanDerWaalsContact NE1-O 3.11Å
532	R	75.8	Confident	64.5	Low	101 Å²	101	25.3 Å²	25.3	38%	0.381	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-155.2	-39.9	-168.9	-174.4	174.9	-176.7	167.5	-1.7	114	I530 D547 W548	I530-R532 PolarHBondContact O-N 3.06Å; R532-D547 WeakPolarHBondContact CG-OD1 3.46Å; R532-D547 IonicContact NE-OD1 3.85Å; R532-D547 IonicContact NE-OD2 4Å; R532-D547 IonicContact NH2-OD2 2.71Å; R532-W548 WeakPolarHBondContact O-CB 3.02Å; R532-W548 PolarHBondContact O-N 3.34Å
533	Y	82.4	Confident	67.3	Low	17 Å²	17	23.8 Å²	23.8	7%	0.067	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	143.5	-172.2	-62.7	-51.8	0	0	0	112.2	C289 I291 F528 M529 I530 I545 W546 D547 Q554 W569	C289-Y533 HydrophobicContact CB-CD2 4.24Å; I291-Y533 HydrophobicContact CD1-CE1 4.37Å; I291-Y533 HydrophobicContact CG1-CE2 4.24Å; F528-Y533 VanDerWaalsContact O-O 3.1Å; M529-Y533 WeakPolarHBondContact CA-O 3.36Å; I530-Y533 PolarHBondContact O-N 3.45Å; Y533-I545 HydrophobicContact CD1-CG2 3.92Å; Y533-I545 HydrophobicContact CG-CG2 4Å; Y533-W546 CarbonylContact C-O 3.45Å; Y533-W546 VanDerWaalsContact CA-O 3.3Å; Y533-W546 WeakPolarHBondContact CA-O 3.33Å; Y533-D547 HydrophobicContact CD1-CB 4.31Å; Y533-D547 HydrophobicContact CE1-CB 4.2Å; Y533-Q554 VanDerWaalsContact CE1-CD 3.44Å; Y533-Q554 HydrophobicContact CE1-CG 4.39Å; Y533-Q554 PolarHBondContact OH-OE1 2.95Å; Y533-W569 AromaticContact CD2-CH2 3.89Å; Y533-W569 HydrophobicContact CD2-CH2 3.89Å; Y533-W569 HydrophobicContact CD2-CZ3 4.11Å; Y533-W569 HydrophobicContact CG-CZ3 4.3Å
534	V	81.1	Confident	69.9	Low	3 Å²	3	24 Å²	24	2%	0.018	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	124.5	169.4	160.4	0	0	0	0	107.3	C527 I545 W546 W548	C527-V534 HydrophobicContact CB-CG1 4.27Å; C527-V534 WeakPolarHBondContact SG-CG1 3.18Å; V534-I545 WeakPolarHBondContact O-CA 2.84Å; V534-W546 HydrophobicContact CB-CB 4.22Å; V534-W546 PolarHBondContact N-O 2.76Å; V534-W546 PolarHBondContact O-N 2.93Å; V534-W548 HydrophobicContact CG2-CE3 3.64Å; V534-W548 HydrophobicContact CG2-CZ3 4.17Å
535	I	82.8	Confident	72.3	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	147.3	175.5	-39.9	174.3	0	0	0	110.1	C527 I543 F544 I545 V567 W569 I577	C527-I535 WeakPolarHBondContact CA-O 3.44Å; I535-I543 HydrophobicContact CG2-CG2 3.46Å; I535-I543 VanDerWaalsContact CG2-CG2 3.46Å; I535-F544 CarbonylContact C-O 3.49Å; I535-F544 WeakPolarHBondContact CA-O 3.19Å; I535-F544 WeakPolarHBondContact CG2-O 3.01Å; I535-I545 HydrophobicContact CG1-CG1 4.3Å; I535-I545 HydrophobicContact CG2-CG1 4.13Å; I535-V567 HydrophobicContact CB-CG1 4.21Å; I535-V567 HydrophobicContact CD1-CG1 4.07Å; I535-V567 HydrophobicContact CG2-CB 4.06Å; I535-V567 HydrophobicContact CG2-CG1 3.44Å; I535-V567 VanDerWaalsContact CG2-CG1 3.44Å; I535-W569 HydrophobicContact CD1-CB 4.21Å; I535-W569 HydrophobicContact CD1-CD2 4.12Å; I535-W569 HydrophobicContact CD1-CE3 3.38Å; I535-W569 HydrophobicContact CD1-CZ3 3.9Å; I535-W569 HydrophobicContact CG1-CE3 3.71Å; I535-W569 HydrophobicContact CG1-CZ3 3.95Å; I535-I577 HydrophobicContact CD1-CD1 3.39Å; I535-I577 HydrophobicContact CD1-CG1 3.58Å; I535-I577 HydrophobicContact CD1-CG2 4.08Å; I535-I577 HydrophobicContact CG1-CD1 4.43Å
536	S	80.9	Confident	74.2	Confident	8 Å²	8	24.6 Å²	24.6	6%	0.056	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	140.3	167.8	60.8	0	0	0	0	110.7	F544 W546	S536-F544 PolarHBondContact N-O 2.7Å; S536-F544 PolarHBondContact O-N 2.98Å; S536-W546 PolarHBondContact OG-NE1 2.63Å
537	G	84.5	Confident	75.9	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.12	C	C	.	.			trans	-74.8	176.6	162	0	0	0	0	0	112.2	V524 K542	V524-G537 VanDerWaalsContact CG1-C 3.42Å; V524-G537 VanDerWaalsContact CG1-CA 3.45Å; V524-G537 VanDerWaalsContact CG1-O 3.23Å; V524-G537 WeakPolarHBondContact CG1-O 3.16Å; V524-G537 WeakPolarHBondContact CG2-O 3.3Å; G537-K542 CarbonylContact C-O 3.57Å; G537-K542 WeakPolarHBondContact CA-O 3.23Å
538	D	83.1	Confident	77.6	Confident	22 Å²	22	28.5 Å²	28.5	12%	0.118	14%	0.135	C	C	.	.			trans	-146.8	159.6	175.1	-173	19.1	0	0	0	109.6	L519 G540 G541 K542 F544 C564	L519-D538 HydrophobicContact CD2-CB 4.44Å; L519-D538 WeakPolarHBondContact CD2-OD1 3.46Å; D538-G540 PolarHBondContact O-N 3.4Å; D538-G541 PolarHBondContact O-N 3.23Å; D538-K542 PolarHBondContact N-O 3.18Å; D538-F544 HydrophobicContact CB-CD2 4.16Å; D538-F544 HydrophobicContact CB-CE2 3.76Å; D538-C564 PolarHBondContact O-N 3.23Å; D538-C564 VanDerWaalsContact O-N 3.12Å
539	S	84.6	Confident	79.1	Confident	31 Å²	31	35.3 Å²	35.3	22%	0.217	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-26.9	176.5	65.2	0	0	0	0	112.5	S520 G541 V563	S520-S539 WeakPolarHBondContact OG-CB 3.39Å; S520-S539 PolarHBondContact OG-OG 3.33Å; S539-G541 PolarHBondContact O-N 3.21Å; S539-V563 WeakPolarHBondContact O-CG2 3.37Å
540	G	85.7	Confident	80.8	Confident	38 Å²	38	38.1 Å²	38.1	39%	0.392	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	9.5	173.7	0	0	0	0	0	115.5	D538 K542	D538-G540 PolarHBondContact O-N 3.4Å; G540-K542 VanDerWaalsContact C-N 3.26Å; G540-K542 PolarHBondContact O-N 2.87Å
541	G	87.5	Confident	81.6	Confident	0 Å²	0	45 Å²	45	0%	0	21%	0.208	C	C	.	.	S	Bend	trans	74.1	14.5	179.9	0	0	0	0	0	114.4	D538 S539 A559 H560 G562	D538-G541 PolarHBondContact O-N 3.23Å; S539-G541 PolarHBondContact O-N 3.21Å; G541-A559 PolarHBondContact O-N 3.39Å; G541-H560 PolarHBondContact O-N 2.81Å; G541-G562 WeakPolarHBondContact CA-O 3.12Å
542	K	90.4	Very high	82.6	Confident	90 Å²	90	47.6 Å²	47.6	39%	0.391	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	144.1	-179	-65.7	176.4	-175.6	173.7	0	111	G537 D538 G540 F544 W557 K558	G537-K542 CarbonylContact C-O 3.57Å; G537-K542 WeakPolarHBondContact CA-O 3.23Å; D538-K542 PolarHBondContact N-O 3.18Å; G540-K542 VanDerWaalsContact C-N 3.26Å; G540-K542 PolarHBondContact O-N 2.87Å; K542-F544 HydrophobicContact CB-CD2 4.41Å; K542-F544 HydrophobicContact CB-CE2 3.88Å; K542-F544 HydrophobicContact CB-CZ 4.46Å; K542-W557 CarbonylContact C-O 3.55Å; K542-W557 WeakPolarHBondContact CA-O 3.46Å; K542-W557 WeakPolarHBondContact CB-O 3.02Å; K542-K558 HydrophobicContact CG-CB 4.4Å
543	I	89	Confident	83	Confident	0 Å²	0	46 Å²	46	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	133.9	166.7	-64.3	174	0	0	0	107.4	I535 I545 R556 W557 A559 V567	I535-I543 HydrophobicContact CG2-CG2 3.46Å; I535-I543 VanDerWaalsContact CG2-CG2 3.46Å; I543-I545 HydrophobicContact CG2-CG1 4.42Å; I543-R556 WeakPolarHBondContact O-CA 3.34Å; I543-W557 HydrophobicContact CB-CZ2 4.1Å; I543-W557 HydrophobicContact CD1-CZ2 4.09Å; I543-W557 HydrophobicContact CG2-CH2 4.03Å; I543-W557 HydrophobicContact CG2-CZ2 3.95Å; I543-W557 PolarHBondContact N-O 2.84Å; I543-W557 PolarHBondContact O-N 2.83Å; I543-A559 HydrophobicContact CD1-CB 3.44Å; I543-A559 VanDerWaalsContact CD1-CB 3.44Å; I543-A559 HydrophobicContact CG1-CB 3.61Å; I543-V567 HydrophobicContact CD1-CG1 4.37Å; I543-V567 HydrophobicContact CD1-CG2 4.47Å; I543-V567 HydrophobicContact CG1-CG2 4.17Å; I543-V567 HydrophobicContact CG2-CG1 4.43Å
544	F	88.1	Confident	83.2	Confident	30 Å²	30	48.7 Å²	48.7	13%	0.132	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	130.5	172.5	-70	-93.1	0	0	0	109.3	I535 S536 D538 K542 W546 I553 R556	I535-F544 CarbonylContact C-O 3.49Å; I535-F544 WeakPolarHBondContact CA-O 3.19Å; I535-F544 WeakPolarHBondContact CG2-O 3.01Å; S536-F544 PolarHBondContact N-O 2.7Å; S536-F544 PolarHBondContact O-N 2.98Å; D538-F544 HydrophobicContact CB-CD2 4.16Å; D538-F544 HydrophobicContact CB-CE2 3.76Å; K542-F544 HydrophobicContact CB-CD2 4.41Å; K542-F544 HydrophobicContact CB-CE2 3.88Å; K542-F544 HydrophobicContact CB-CZ 4.46Å; F544-W546 HydrophobicContact CD1-CZ2 4.48Å; F544-I553 HydrophobicContact CD1-CD1 4.04Å; F544-I553 HydrophobicContact CD1-CG2 4.2Å; F544-I553 HydrophobicContact CE1-CD1 4.21Å; F544-R556 HydrophobicContact CD1-CB 3.77Å; F544-R556 HydrophobicContact CE1-CB 3.97Å; F544-R556 HydrophobicContact CG-CB 4.42Å
545	I	86.5	Confident	83.7	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	123.3	170.2	-61.8	-176.6	0	0	0	108.6	I291 P292 Y533 V534 I535 I543 I553 Q554 A555 W557 I577	I291-I545 HydrophobicContact CD1-CG2 4.42Å; I291-I545 HydrophobicContact CG1-CD1 4.3Å; I291-I545 HydrophobicContact CG1-CG2 4.2Å; I291-I545 HydrophobicContact CG2-CD1 4.08Å; P292-I545 HydrophobicContact CG-CD1 4.44Å; Y533-I545 HydrophobicContact CD1-CG2 3.92Å; Y533-I545 HydrophobicContact CG-CG2 4Å; V534-I545 WeakPolarHBondContact O-CA 2.84Å; I535-I545 HydrophobicContact CG1-CG1 4.3Å; I535-I545 HydrophobicContact CG2-CG1 4.13Å; I543-I545 HydrophobicContact CG2-CG1 4.42Å; I545-I553 CarbonylContact O-C 3.58Å; I545-Q554 PolarHBondContact O-N 2.8Å; I545-A555 HydrophobicContact CB-CB 4.35Å; I545-A555 PolarHBondContact N-O 2.74Å; I545-A555 PolarHBondContact O-N 2.98Å; I545-W557 HydrophobicContact CD1-CH2 3.51Å; I545-W557 HydrophobicContact CD1-CZ3 3.77Å; I545-W557 HydrophobicContact CG1-CH2 4.12Å; I545-W557 HydrophobicContact CG1-CZ3 4.16Å; I545-I577 HydrophobicContact CD1-CD1 4.19Å
546	W	84	Confident	84	Confident	39 Å²	39	57.7 Å²	57.7	15%	0.148	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	142.4	178.8	-53.3	81.7	0	0	0	108.9	L515 Y533 V534 S536 F544 I553	L515-W546 HydrophobicContact CD2-CD2 4.08Å; L515-W546 HydrophobicContact CD2-CE3 4.26Å; L515-W546 HydrophobicContact CD2-CG 4.41Å; L515-W546 HydrophobicContact CG-CE3 4.41Å; L515-W546 HydrophobicContact CG-CZ3 4.44Å; Y533-W546 CarbonylContact C-O 3.45Å; Y533-W546 VanDerWaalsContact CA-O 3.3Å; Y533-W546 WeakPolarHBondContact CA-O 3.33Å; V534-W546 HydrophobicContact CB-CB 4.22Å; V534-W546 PolarHBondContact N-O 2.76Å; V534-W546 PolarHBondContact O-N 2.93Å; S536-W546 PolarHBondContact OG-NE1 2.63Å; F544-W546 HydrophobicContact CD1-CZ2 4.48Å; W546-I553 HydrophobicContact CD2-CG1 3.87Å; W546-I553 HydrophobicContact CE3-CB 4.43Å; W546-I553 HydrophobicContact CE3-CG1 3.46Å; W546-I553 VanDerWaalsContact CE3-CG1 3.46Å; W546-I553 HydrophobicContact CH2-CD1 3.52Å; W546-I553 HydrophobicContact CH2-CG1 3.34Å; W546-I553 HydrophobicContact CZ2-CD1 3.94Å; W546-I553 HydrophobicContact CZ2-CG1 3.74Å; W546-I553 HydrophobicContact CZ3-CD1 3.87Å; W546-I553 HydrophobicContact CZ3-CG1 3.2Å
547	D	81.2	Confident	84.7	Confident	1 Å²	1	59.9 Å²	59.9	1%	0.005	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	120.8	167.9	176.2	13.4	0	0	0	109.2	R532 Y533 K549 T550 R551 H552 Q554	R532-D547 WeakPolarHBondContact CG-OD1 3.46Å; R532-D547 IonicContact NE-OD1 3.85Å; R532-D547 IonicContact NE-OD2 4Å; R532-D547 IonicContact NH2-OD2 2.71Å; Y533-D547 HydrophobicContact CD1-CB 4.31Å; Y533-D547 HydrophobicContact CE1-CB 4.2Å; D547-K549 VanDerWaalsContact C-N 3.26Å; D547-K549 PolarHBondContact O-N 2.85Å; D547-K549 PolarHBondContact OD1-N 3.38Å; D547-T550 VanDerWaalsContact CB-OG1 3.26Å; D547-T550 WeakPolarHBondContact CB-OG1 3.31Å; D547-T550 VanDerWaalsContact OD2-CG2 3.27Å; D547-T550 WeakPolarHBondContact OD2-CG2 3.43Å; D547-T550 PolarHBondContact OD2-OG1 3.01Å; D547-R551 WeakPolarHBondContact O-CA 3.16Å; D547-R551 PolarHBondContact O-N 3.28Å; D547-H552 PolarHBondContact N-O 2.98Å; D547-Q554 HydrophobicContact CB-CG 3.64Å; D547-Q554 VanDerWaalsContact CG-NE2 3.3Å; D547-Q554 PolarHBondContact OD2-NE2 3.37Å
548	W	74.9	Confident	85.1	Confident	87 Å²	87	66.4 Å²	66.4	33%	0.33	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-39.2	-177.1	-177.6	-110.5	0	0	0	111.9	T494 V496 L506 M529 R532 V534	T494-W548 HydrophobicContact CG2-CH2 4.34Å; T494-W548 HydrophobicContact CG2-CZ2 4.33Å; V496-W548 HydrophobicContact CG1-CZ3 4.35Å; V496-W548 HydrophobicContact CG2-CH2 4Å; V496-W548 HydrophobicContact CG2-CZ3 4.12Å; L506-W548 HydrophobicContact CD1-CH2 3.76Å; L506-W548 HydrophobicContact CD1-CZ2 4.31Å; M529-W548 HydrophobicContact SD-CD2 4.31Å; R532-W548 WeakPolarHBondContact O-CB 3.02Å; R532-W548 PolarHBondContact O-N 3.34Å; V534-W548 HydrophobicContact CG2-CE3 3.64Å; V534-W548 HydrophobicContact CG2-CZ3 4.17Å
549	K	78.1	Confident	85.5	Confident	179 Å²	179	65.5 Å²	65.5	78%	0.778	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-51.3	-177.4	-173.9	174.9	-179.1	178.3	0	111.5	D547	D547-K549 VanDerWaalsContact C-N 3.26Å; D547-K549 PolarHBondContact O-N 2.85Å; D547-K549 PolarHBondContact OD1-N 3.38Å
550	T	82.2	Confident	85.9	Confident	69 Å²	69	64.1 Å²	64.1	42%	0.423	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-20.8	-175	61	0	0	0	0	113.3	D547 H552	D547-T550 VanDerWaalsContact CB-OG1 3.26Å; D547-T550 WeakPolarHBondContact CB-OG1 3.31Å; D547-T550 VanDerWaalsContact OD2-CG2 3.27Å; D547-T550 WeakPolarHBondContact OD2-CG2 3.43Å; D547-T550 PolarHBondContact OD2-OG1 3.01Å; T550-H552 PolarHBondContact O-CD2 3.12Å; T550-H552 PolarHBondContact O-N 3.22Å
551	R	70.5	Confident	86.3	Confident	150 Å²	150	70.3 Å²	70.3	57%	0.566	31%	0.31	S	S	*	.			trans	65.7	13.1	-178.6	-47.7	170.1	-135.7	162.2	2.9	114.1	D547	D547-R551 WeakPolarHBondContact O-CA 3.16Å; D547-R551 PolarHBondContact O-N 3.28Å
552	H	80.4	Confident	86.4	Confident	135 Å²	135	71.4 Å²	71.4	63%	0.625	32%	0.322	S	S	*	.	S	Bend	trans	-92.3	147.8	175.4	-74.2	-82.2	0	0	0	110.7	D547 T550 Q554	D547-H552 PolarHBondContact N-O 2.98Å; T550-H552 PolarHBondContact O-CD2 3.12Å; T550-H552 PolarHBondContact O-N 3.22Å; H552-Q554 PolarHBondContact O-N 2.75Å
553	I	85.3	Confident	86.4	Confident	68 Å²	68	67.9 Å²	67.9	35%	0.349	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	115.2	166.5	-57.6	171.6	0	0	0	106.4	F544 I545 W546 A555 R556	F544-I553 HydrophobicContact CD1-CD1 4.04Å; F544-I553 HydrophobicContact CD1-CG2 4.2Å; F544-I553 HydrophobicContact CE1-CD1 4.21Å; I545-I553 CarbonylContact O-C 3.58Å; W546-I553 HydrophobicContact CD2-CG1 3.87Å; W546-I553 HydrophobicContact CE3-CB 4.43Å; W546-I553 HydrophobicContact CE3-CG1 3.46Å; W546-I553 VanDerWaalsContact CE3-CG1 3.46Å; W546-I553 HydrophobicContact CH2-CD1 3.52Å; W546-I553 HydrophobicContact CH2-CG1 3.34Å; W546-I553 HydrophobicContact CZ2-CD1 3.94Å; W546-I553 HydrophobicContact CZ2-CG1 3.74Å; W546-I553 HydrophobicContact CZ3-CD1 3.87Å; W546-I553 HydrophobicContact CZ3-CG1 3.2Å; I553-A555 WeakPolarHBondContact CG2-O 3.31Å; I553-R556 HydrophobicContact CG2-CB 4.35Å
554	Q	87.4	Confident	86.4	Confident	73 Å²	73	67.9 Å²	67.9	34%	0.341	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	-35.8	174.9	-73.2	-154.9	-2.2	0	0	112.1	I291 Y533 I545 D547 H552	I291-Q554 HydrophobicContact CD1-CB 3.65Å; Y533-Q554 VanDerWaalsContact CE1-CD 3.44Å; Y533-Q554 HydrophobicContact CE1-CG 4.39Å; Y533-Q554 PolarHBondContact OH-OE1 2.95Å; I545-Q554 PolarHBondContact O-N 2.8Å; D547-Q554 HydrophobicContact CB-CG 3.64Å; D547-Q554 VanDerWaalsContact CG-NE2 3.3Å; D547-Q554 PolarHBondContact OD2-NE2 3.37Å; H552-Q554 PolarHBondContact O-N 2.75Å
555	A	89.9	Confident	86.4	Confident	20 Å²	20	66.4 Å²	66.4	17%	0.165	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	150	178	0	0	0	0	0	111.4	I291 I545 I553 W557	I291-A555 HydrophobicContact CD1-CB 4.23Å; I291-A555 HydrophobicContact CG2-CB 3.72Å; I545-A555 HydrophobicContact CB-CB 4.35Å; I545-A555 PolarHBondContact N-O 2.74Å; I545-A555 PolarHBondContact O-N 2.98Å; I553-A555 WeakPolarHBondContact CG2-O 3.31Å; A555-W557 HydrophobicContact CB-CE3 4.25Å; A555-W557 HydrophobicContact CB-CZ3 3.88Å
556	R	90.8	Very high	86.4	Confident	172 Å²	172	66.5 Å²	66.5	65%	0.649	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-150.1	139.4	168.6	66.4	-176.3	-178	-177.9	-1.4	109.9	I543 F544 I553	I543-R556 WeakPolarHBondContact O-CA 3.34Å; F544-R556 HydrophobicContact CD1-CB 3.77Å; F544-R556 HydrophobicContact CE1-CB 3.97Å; F544-R556 HydrophobicContact CG-CB 4.42Å; I553-R556 HydrophobicContact CG2-CB 4.35Å
557	W	93.9	Very high	86.7	Confident	53 Å²	53	64.6 Å²	64.6	20%	0.201	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	161.4	173.7	63	97.2	0	0	0	110.3	I291 P292 K542 I543 I545 A555 A559 W589	I291-W557 HydrophobicContact CG2-CZ3 4.39Å; P292-W557 HydrophobicContact CG-CH2 3.61Å; P292-W557 HydrophobicContact CG-CZ2 3.93Å; K542-W557 CarbonylContact C-O 3.55Å; K542-W557 WeakPolarHBondContact CA-O 3.46Å; K542-W557 WeakPolarHBondContact CB-O 3.02Å; I543-W557 HydrophobicContact CB-CZ2 4.1Å; I543-W557 HydrophobicContact CD1-CZ2 4.09Å; I543-W557 HydrophobicContact CG2-CH2 4.03Å; I543-W557 HydrophobicContact CG2-CZ2 3.95Å; I543-W557 PolarHBondContact N-O 2.84Å; I543-W557 PolarHBondContact O-N 2.83Å; I545-W557 HydrophobicContact CD1-CH2 3.51Å; I545-W557 HydrophobicContact CD1-CZ3 3.77Å; I545-W557 HydrophobicContact CG1-CH2 4.12Å; I545-W557 HydrophobicContact CG1-CZ3 4.16Å; A555-W557 HydrophobicContact CB-CE3 4.25Å; A555-W557 HydrophobicContact CB-CZ3 3.88Å; W557-A559 PolarHBondContact O-N 2.68Å; W557-W589 AromaticContact CD1-CH2 3.82Å; W557-W589 AromaticContact CD1-CZ3 3.87Å; W557-W589 HydrophobicContact CZ2-CD2 4.48Å; W557-W589 AromaticContact NE1-CD2 3.82Å; W557-W589 AromaticContact NE1-CE2 3.85Å; W557-W589 AromaticContact NE1-CE3 3.64Å; W557-W589 AromaticContact NE1-CH2 3.58Å; W557-W589 AromaticContact NE1-CZ2 3.76Å; W557-W589 AromaticContact NE1-CZ3 3.51Å
558	K	93.2	Very high	87.1	Confident	137 Å²	137	65.1 Å²	65.1	60%	0.596	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.4	113.9	173.6	-170.2	177.2	-177.5	-175.7	0	108.3	K542 H560	K542-K558 HydrophobicContact CG-CB 4.4Å; K558-H560 VanDerWaalsContact CE-O 3.31Å; K558-H560 WeakPolarHBondContact CE-O 3.32Å
559	A	92.3	Very high	87.7	Confident	3 Å²	3	61 Å²	61	3%	0.025	28%	0.282	C	S	.	.			trans	-95.4	-46.7	-178.8	0	0	0	0	0	111.3	G541 I543 W557 K587 W589	G541-A559 PolarHBondContact O-N 3.39Å; I543-A559 HydrophobicContact CD1-CB 3.44Å; I543-A559 VanDerWaalsContact CD1-CB 3.44Å; I543-A559 HydrophobicContact CG1-CB 3.61Å; W557-A559 PolarHBondContact O-N 2.68Å; A559-K587 WeakPolarHBondContact O-CD 3.41Å; A559-K587 VanDerWaalsContact O-CE 3.3Å; A559-K587 WeakPolarHBondContact O-CE 3.28Å; A559-K587 PolarHBondContact O-NZ 2.84Å; A559-W589 HydrophobicContact CB-CH2 4.24Å; A559-W589 HydrophobicContact CB-CZ2 3.52Å
560	H	93.4	Very high	88.3	Confident	2 Å²	2	52.5 Å²	52.5	1%	0.009	25%	0.245	C	C	.	.			trans	-118.6	157.1	-174.8	-71.1	-88.1	0	0	0	111.2	G541 K558 S579 D583 V585	G541-H560 PolarHBondContact O-N 2.81Å; K558-H560 VanDerWaalsContact CE-O 3.31Å; K558-H560 WeakPolarHBondContact CE-O 3.32Å; H560-S579 PolarHBondContact NE2-O 3.11Å; H560-S579 PolarHBondContact NE2-OG 3.49Å; H560-D583 WeakPolarHBondContact CA-OD2 3.35Å; H560-D583 VanDerWaalsContact CB-OD2 3.28Å; H560-D583 WeakPolarHBondContact CB-OD2 3.29Å; H560-D583 IonicContact CE1-OD1 3.54Å; H560-D583 IonicContact CG-OD1 2.74Å; H560-D583 IonicContact CG-OD2 2.7Å; H560-D583 VanDerWaalsContact ND1-CG 3.28Å; H560-D583 IonicContact ND1-OD1 2.86Å; H560-D583 PolarHBondContact ND1-OD1 2.87Å; H560-D583 IonicContact ND1-OD2 2.66Å; H560-D583 PolarHBondContact ND1-OD2 3.06Å; H560-V585 PolarHBondContact CE1-O 3.27Å; H560-V585 VanDerWaalsContact CE1-O 3.22Å
561	E	92.6	Very high	88.5	Confident	168 Å²	168	51 Å²	51	79%	0.785	24%	0.237	S	C	*	.	S	Bend	trans	-79.3	-37.3	172.3	-68.9	-172.6	174.6	0	0	111.3	D583	E561-D583 PolarHBondContact N-OD2 2.91Å
562	G	89.8	Confident	89.2	Confident	23 Å²	23	44.5 Å²	44.5	24%	0.237	21%	0.212	C	C	.	.	S	Bend	trans	-89.2	-170.8	170	0	0	0	0	0	113.2	G541 C564	G541-G562 WeakPolarHBondContact CA-O 3.12Å; G562-C564 PolarHBondContact O-N 3.39Å
563	V	90.2	Very high	89.6	Confident	16 Å²	16	38.6 Å²	38.6	10%	0.097	19%	0.185	C	C	.	.			trans	-60.4	129.5	176.5	-180	0	0	0	0	109.9	V522 S539 I565 G581 W582	V522-V563 HydrophobicContact CB-CG1 4.17Å; V522-V563 HydrophobicContact CG1-CB 4.3Å; V522-V563 HydrophobicContact CG1-CG1 3.49Å; V522-V563 VanDerWaalsContact CG1-CG1 3.49Å; V522-V563 HydrophobicContact CG1-CG2 4.21Å; V522-V563 HydrophobicContact CG2-CG2 4.43Å; S539-V563 WeakPolarHBondContact O-CG2 3.37Å; V563-I565 HydrophobicContact CG1-CG1 4.29Å; V563-I565 PolarHBondContact O-N 3.47Å; V563-G581 CarbonylContact O-C 3.53Å; V563-G581 WeakPolarHBondContact O-CA 3.3Å; V563-W582 HydrophobicContact CB-CD2 4.17Å; V563-W582 HydrophobicContact CB-CE3 4.13Å; V563-W582 HydrophobicContact CB-CG 4.4Å; V563-W582 HydrophobicContact CG2-CD2 4.28Å; V563-W582 HydrophobicContact CG2-CE3 3.73Å; V563-W582 HydrophobicContact CG2-CZ3 4.03Å; V563-W582 PolarHBondContact O-N 2.85Å
564	C	90	Very high	89.8	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	104.9	171.4	-175.9	0	0	0	0	107.8	D538 G562 V567 C580	D538-C564 PolarHBondContact O-N 3.23Å; D538-C564 VanDerWaalsContact O-N 3.12Å; G562-C564 PolarHBondContact O-N 3.39Å; C564-V567 VanDerWaalsContact SG-CG2 3.6Å; C564-C580 CarbonylContact C-O 3.58Å; C564-C580 WeakPolarHBondContact CA-O 3.12Å
565	I	87.2	Confident	89.9	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	-67.1	-177.7	-62	168	0	0	0	109.6	V306 Q307 S523 V524 D525 V563 C580 W582	V306-I565 WeakPolarHBondContact O-CD1 3.41Å; Q307-I565 VanDerWaalsContact OE1-CD1 3.28Å; S523-I565 WeakPolarHBondContact O-CG2 3.21Å; V524-I565 CarbonylContact C-O 3.56Å; D525-I565 CarbonylContact C-O 3.42Å; D525-I565 HydrophobicContact CB-CG2 3.71Å; D525-I565 PolarHBondContact N-O 3.2Å; V563-I565 HydrophobicContact CG1-CG1 4.29Å; V563-I565 PolarHBondContact O-N 3.47Å; I565-C580 PolarHBondContact N-O 3.49Å; I565-W582 HydrophobicContact CD1-CG 4.3Å
566	G	86.4	Confident	90	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.01	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	130.8	-168.2	0	0	0	0	0	110.9	D525 S579 C580	D525-G566 WeakPolarHBondContact O-CA 3.32Å; G566-S579 CarbonylContact O-C 3.59Å; G566-S579 VanDerWaalsContact O-CA 3.24Å; G566-S579 WeakPolarHBondContact O-CA 3.15Å; G566-C580 WeakPolarHBondContact CA-SG 3.16Å; G566-C580 PolarHBondContact N-SG 2.83Å; G566-C580 PolarHBondContact O-N 3.46Å
567	V	90.2	Very high	90	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	118	170.7	-167.6	0	0	0	0	110.7	D525 Y526 I535 I543 C564 I577 A578	D525-V567 PolarHBondContact O-N 2.51Å; Y526-V567 WeakPolarHBondContact CB-O 3.09Å; I535-V567 HydrophobicContact CB-CG1 4.21Å; I535-V567 HydrophobicContact CD1-CG1 4.07Å; I535-V567 HydrophobicContact CG2-CB 4.06Å; I535-V567 HydrophobicContact CG2-CG1 3.44Å; I535-V567 VanDerWaalsContact CG2-CG1 3.44Å; I543-V567 HydrophobicContact CD1-CG1 4.37Å; I543-V567 HydrophobicContact CD1-CG2 4.47Å; I543-V567 HydrophobicContact CG1-CG2 4.17Å; I543-V567 HydrophobicContact CG2-CG1 4.43Å; C564-V567 VanDerWaalsContact SG-CG2 3.6Å; V567-I577 HydrophobicContact CG1-CG2 3.44Å; V567-I577 VanDerWaalsContact CG1-CG2 3.44Å; V567-A578 WeakPolarHBondContact CA-O 3.4Å
568	L	89.7	Confident	90	Very high	12 Å²	12	25.2 Å²	25.2	6%	0.063	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	128	-178	-64.7	177.9	0	0	0	111	I309 W311 Y526 I577 A578	I309-L568 HydrophobicContact CB-CD1 4.26Å; I309-L568 HydrophobicContact CG2-CD1 3.89Å; I309-L568 WeakPolarHBondContact O-CD1 3.36Å; W311-L568 HydrophobicContact CG-CD1 4.47Å; Y526-L568 HydrophobicContact CD1-CD2 4.17Å; Y526-L568 HydrophobicContact CD2-CD2 3.61Å; Y526-L568 HydrophobicContact CD2-CG 3.95Å; Y526-L568 HydrophobicContact CE2-CD2 4.35Å; Y526-L568 HydrophobicContact CG-CD2 3.52Å; Y526-L568 HydrophobicContact CG-CG 4.35Å; L568-I577 CarbonylContact O-C 3.56Å; L568-I577 WeakPolarHBondContact O-CA 3.37Å; L568-A578 PolarHBondContact N-O 3.28Å; L568-A578 PolarHBondContact O-N 3.39Å
569	W	88.8	Confident	90.1	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	141.3	167.4	-155.1	-58.2	0	0	0	109.3	C289 Y290 W311 F528 I530 Y533 I535 E573 T574 I577	C289-W569 HydrophobicContact CB-CH2 4.21Å; C289-W569 HydrophobicContact CB-CZ2 3.72Å; Y290-W569 VanDerWaalsContact O-CH2 3.27Å; Y290-W569 WeakPolarHBondContact O-CH2 3.48Å; Y290-W569 WeakPolarHBondContact O-CZ2 3.32Å; W311-W569 PolarHBondContact NE1-O 2.97Å; F528-W569 HydrophobicContact CB-CB 4.04Å; F528-W569 HydrophobicContact CD1-CB 3.57Å; F528-W569 HydrophobicContact CE1-CB 4.35Å; F528-W569 HydrophobicContact CG-CB 4.11Å; I530-W569 HydrophobicContact CD1-CB 3.87Å; I530-W569 HydrophobicContact CD1-CD2 4.31Å; I530-W569 HydrophobicContact CD1-CG 3.54Å; I530-W569 HydrophobicContact CG1-CB 4.18Å; I530-W569 HydrophobicContact CG1-CD2 4.45Å; I530-W569 HydrophobicContact CG1-CG 3.99Å; Y533-W569 AromaticContact CD2-CH2 3.89Å; Y533-W569 HydrophobicContact CD2-CH2 3.89Å; Y533-W569 HydrophobicContact CD2-CZ3 4.11Å; Y533-W569 HydrophobicContact CG-CZ3 4.3Å; I535-W569 HydrophobicContact CD1-CB 4.21Å; I535-W569 HydrophobicContact CD1-CD2 4.12Å; I535-W569 HydrophobicContact CD1-CE3 3.38Å; I535-W569 HydrophobicContact CD1-CZ3 3.9Å; I535-W569 HydrophobicContact CG1-CE3 3.71Å; I535-W569 HydrophobicContact CG1-CZ3 3.95Å; W569-E573 PolarHBondContact NE1-O 2.83Å; W569-T574 WeakPolarHBondContact CZ2-O 3.37Å; W569-I577 HydrophobicContact CB-CG1 4.35Å; W569-I577 HydrophobicContact CD2-CD1 4.05Å; W569-I577 HydrophobicContact CD2-CG1 3.92Å; W569-I577 HydrophobicContact CE3-CD1 3.9Å; W569-I577 HydrophobicContact CE3-CG1 4.18Å; W569-I577 HydrophobicContact CG-CG1 4.08Å; W569-I577 HydrophobicContact CH2-CD1 3.93Å; W569-I577 HydrophobicContact CZ2-CD1 4.2Å; W569-I577 HydrophobicContact CZ3-CD1 3.79Å
570	H	89.9	Confident	90.2	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.103	C	C	.	.			trans	-70.8	125.2	173.6	-169.4	-89.1	0	0	0	111.6	W311 A316 Y334 H572 E573 K576	W311-H570 AromaticContact CH2-CD2 3.94Å; W311-H570 HydrophobicContact CZ2-CB 4.22Å; A316-H570 WeakPolarHBondContact CB-NE2 3.17Å; A316-H570 PolarHBondContact O-NE2 3.3Å; Y334-H570 PolarHBondContact OH-CE1 3.36Å; Y334-H570 VanDerWaalsContact OH-CE1 3.23Å; Y334-H570 PolarHBondContact OH-NE2 2.82Å; H570-H572 VanDerWaalsContact C-N 3.32Å; H570-H572 PolarHBondContact ND1-N 2.79Å; H570-H572 PolarHBondContact O-N 3.03Å; H570-E573 HydrophobicContact CB-CB 4.11Å; H570-E573 WeakPolarHBondContact ND1-CB 3.16Å; H570-E573 WeakPolarHBondContact ND1-CG 3.15Å; H570-E573 PolarHBondContact ND1-N 2.76Å; H570-E573 VanDerWaalsContact ND1-N 3.18Å; H570-E573 IonicContact ND1-OE2 3.47Å; H570-E573 PolarHBondContact O-N 3.36Å; H570-K576 HydrophobicContact CB-CB 4.08Å; H570-K576 WeakPolarHBondContact CB-O 3.49Å; H570-K576 PolarHBondContact N-O 2.89Å
571	P	85.9	Confident	90.1	Very high	39 Å²	39	18.5 Å²	18.5	25%	0.253	10%	0.103	S	C	.	.	S	Bend	trans	-63.4	-32	-171.1	23.1	-32.8	0	0	0	114.4	P286 A316	P286-P571 WeakPolarHBondContact CD-O 3.27Å; A316-P571 VanDerWaalsContact CB-CD 3.47Å; A316-P571 HydrophobicContact CB-CG 3.44Å; A316-P571 VanDerWaalsContact CB-CG 3.44Å
572	H	86.7	Confident	90.1	Very high	12 Å²	12	15.3 Å²	15.3	6%	0.056	8%	0.084	C	C	.	.	S	Bend	trans	-97.2	-17.3	-177.5	-57.5	-65.6	0	0	0	114.2	V278 L280 R281 A284 Q314 S315 H570	V278-H572 HydrophobicContact CG1-CB 4.21Å; L280-H572 HydrophobicContact CD2-CB 4.27Å; R281-H572 PolarHBondContact O-CE1 3.07Å; R281-H572 PolarHBondContact O-ND1 3.09Å; A284-H572 PolarHBondContact O-ND1 2.83Å; Q314-H572 PolarHBondContact O-CE1 3.21Å; Q314-H572 PolarHBondContact O-NE2 2.94Å; S315-H572 PolarHBondContact O-CD2 2.55Å; H570-H572 VanDerWaalsContact C-N 3.32Å; H570-H572 PolarHBondContact ND1-N 2.79Å; H570-H572 PolarHBondContact O-N 3.03Å
573	E	88.5	Confident	90.2	Very high	12 Å²	12	16.6 Å²	16.6	6%	0.056	9%	0.085	C	C	.	.			trans	-109.6	142.1	-170.2	-70.4	-177.3	158.5	0	0	111.5	V278 Y334 W569 H570 S575 K576	V278-E573 HydrophobicContact CG1-CG 4.3Å; V278-E573 HydrophobicContact CG2-CG 4.35Å; Y334-E573 VanDerWaalsContact CE1-OE1 3.24Å; Y334-E573 WeakPolarHBondContact CE1-OE1 3.49Å; Y334-E573 PolarHBondContact OH-OE1 2.95Å; W569-E573 PolarHBondContact NE1-O 2.83Å; H570-E573 HydrophobicContact CB-CB 4.11Å; H570-E573 WeakPolarHBondContact ND1-CB 3.16Å; H570-E573 WeakPolarHBondContact ND1-CG 3.15Å; H570-E573 PolarHBondContact ND1-N 2.76Å; H570-E573 VanDerWaalsContact ND1-N 3.18Å; H570-E573 IonicContact ND1-OE2 3.47Å; H570-E573 PolarHBondContact O-N 3.36Å; E573-S575 PolarHBondContact O-N 3.48Å; E573-K576 HydrophobicContact CB-CB 4.21Å; E573-K576 HydrophobicContact CB-CG 4.16Å; E573-K576 IonicContact OE1-NZ 3.58Å; E573-K576 PolarHBondContact OE1-NZ 2.69Å; E573-K576 WeakPolarHBondContact OE2-CB 3.21Å; E573-K576 WeakPolarHBondContact OE2-CD 3.5Å; E573-K576 WeakPolarHBondContact OE2-CE 3.32Å; E573-K576 WeakPolarHBondContact OE2-CG 3.49Å; E573-K576 IonicContact OE2-NZ 3.72Å; E573-K576 PolarHBondContact OE2-NZ 2.84Å
574	T	88.4	Confident	90.4	Very high	52 Å²	52	16 Å²	16	32%	0.319	8%	0.082	S	C	.	.	S	Bend	trans	-72.7	-28.9	-166.6	57	0	0	0	0	113.4	P286 R288 C289 Y290 W569	P286-T574 HydrophobicContact CB-CG2 3.67Å; R288-T574 WeakPolarHBondContact O-CB 3.33Å; R288-T574 WeakPolarHBondContact O-CG2 3.45Å; C289-T574 CarbonylContact C-O 3.57Å; C289-T574 WeakPolarHBondContact CA-O 3.42Å; C289-T574 VanDerWaalsContact CB-O 3.29Å; C289-T574 WeakPolarHBondContact CB-O 3.49Å; Y290-T574 PolarHBondContact N-O 3.43Å; W569-T574 WeakPolarHBondContact CZ2-O 3.37Å
575	S	89.9	Confident	90.6	Very high	16 Å²	16	17.4 Å²	17.4	11%	0.112	9%	0.09	C	C	.	.	S	Bend	trans	-128.2	-11.6	-170.1	33.8	0	0	0	0	114.2	Y290 P292 E573 D590	Y290-S575 WeakPolarHBondContact O-CA 3.39Å; P292-S575 WeakPolarHBondContact CB-O 3.31Å; E573-S575 PolarHBondContact O-N 3.48Å; S575-D590 VanDerWaalsContact CB-OD1 3.31Å; S575-D590 WeakPolarHBondContact CB-OD1 3.44Å; S575-D590 WeakPolarHBondContact CB-OXT 3.45Å; S575-D590 PolarHBondContact OG-OD1 3.14Å
576	K	91.5	Very high	91	Very high	36 Å²	36	17.4 Å²	17.4	16%	0.157	9%	0.09	C	C	.	.			trans	-82.2	131.2	-169.9	-56.4	-147.8	-155.5	127.8	0	113.5	I296 H570 E573 F588 W589 D590	I296-K576 HydrophobicContact CD1-CD 3.76Å; H570-K576 HydrophobicContact CB-CB 4.08Å; H570-K576 WeakPolarHBondContact CB-O 3.49Å; H570-K576 PolarHBondContact N-O 2.89Å; E573-K576 HydrophobicContact CB-CB 4.21Å; E573-K576 HydrophobicContact CB-CG 4.16Å; E573-K576 IonicContact OE1-NZ 3.58Å; E573-K576 PolarHBondContact OE1-NZ 2.69Å; E573-K576 WeakPolarHBondContact OE2-CB 3.21Å; E573-K576 WeakPolarHBondContact OE2-CD 3.5Å; E573-K576 WeakPolarHBondContact OE2-CE 3.32Å; E573-K576 WeakPolarHBondContact OE2-CG 3.49Å; E573-K576 IonicContact OE2-NZ 3.72Å; E573-K576 PolarHBondContact OE2-NZ 2.84Å; K576-F588 HydrophobicContact CB-CE1 4.44Å; K576-F588 HydrophobicContact CB-CE2 3.98Å; K576-F588 HydrophobicContact CB-CZ 3.71Å; K576-F588 HydrophobicContact CD-CD1 4.48Å; K576-F588 HydrophobicContact CD-CE1 3.43Å; K576-F588 VanDerWaalsContact CD-CE1 3.43Å; K576-F588 HydrophobicContact CD-CE2 4.44Å; K576-F588 HydrophobicContact CD-CZ 3.42Å; K576-F588 VanDerWaalsContact CD-CZ 3.42Å; K576-F588 HydrophobicContact CG-CZ 4.18Å; K576-W589 CarbonylContact C-O 3.58Å; K576-W589 WeakPolarHBondContact CA-O 3.38Å; K576-D590 HydrophobicContact CD-CB 4.3Å; K576-D590 HydrophobicContact CG-CB 4.01Å
577	I	92.5	Very high	91.5	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	-133.8	136.1	-178.3	-72.2	154.4	0	0	0	109.9	P292 I535 I545 V567 L568 W569 F588 W589	P292-I577 HydrophobicContact CG-CD1 3.54Å; I535-I577 HydrophobicContact CD1-CD1 3.39Å; I535-I577 HydrophobicContact CD1-CG1 3.58Å; I535-I577 HydrophobicContact CD1-CG2 4.08Å; I535-I577 HydrophobicContact CG1-CD1 4.43Å; I545-I577 HydrophobicContact CD1-CD1 4.19Å; V567-I577 HydrophobicContact CG1-CG2 3.44Å; V567-I577 VanDerWaalsContact CG1-CG2 3.44Å; L568-I577 CarbonylContact O-C 3.56Å; L568-I577 WeakPolarHBondContact O-CA 3.37Å; W569-I577 HydrophobicContact CB-CG1 4.35Å; W569-I577 HydrophobicContact CD2-CD1 4.05Å; W569-I577 HydrophobicContact CD2-CG1 3.92Å; W569-I577 HydrophobicContact CE3-CD1 3.9Å; W569-I577 HydrophobicContact CE3-CG1 4.18Å; W569-I577 HydrophobicContact CG-CG1 4.08Å; W569-I577 HydrophobicContact CH2-CD1 3.93Å; W569-I577 HydrophobicContact CZ2-CD1 4.2Å; W569-I577 HydrophobicContact CZ3-CD1 3.79Å; I577-F588 CarbonylContact O-C 3.59Å; I577-F588 WeakPolarHBondContact O-CA 3.21Å; I577-F588 WeakPolarHBondContact O-CD2 3.34Å; I577-W589 HydrophobicContact CB-CB 4.41Å; I577-W589 PolarHBondContact N-O 3.05Å; I577-W589 PolarHBondContact O-N 2.87Å
578	A	93.8	Very high	91.7	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.008	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	134.2	169.2	0	0	0	0	0	110.3	W311 L319 V567 L568 K587 F588	W311-A578 HydrophobicContact CH2-CB 3.78Å; W311-A578 HydrophobicContact CZ2-CB 3.62Å; L319-A578 HydrophobicContact CD1-CB 3.62Å; V567-A578 WeakPolarHBondContact CA-O 3.4Å; L568-A578 PolarHBondContact N-O 3.28Å; L568-A578 PolarHBondContact O-N 3.39Å; A578-K587 CarbonylContact C-O 3.58Å; A578-K587 WeakPolarHBondContact CA-O 3.26Å; A578-F588 HydrophobicContact CB-CD2 4.2Å
579	S	94	Very high	92	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	142.6	174.4	66.8	0	0	0	0	112.1	H560 G566 I586 K587 W589	H560-S579 PolarHBondContact NE2-O 3.11Å; H560-S579 PolarHBondContact NE2-OG 3.49Å; G566-S579 CarbonylContact O-C 3.59Å; G566-S579 VanDerWaalsContact O-CA 3.24Å; G566-S579 WeakPolarHBondContact O-CA 3.15Å; S579-I586 CarbonylContact O-C 3.53Å; S579-I586 VanDerWaalsContact O-CA 3.3Å; S579-I586 WeakPolarHBondContact O-CA 3.22Å; S579-I586 WeakPolarHBondContact O-CG2 3.47Å; S579-K587 PolarHBondContact N-O 3.24Å; S579-K587 PolarHBondContact O-N 2.68Å; S579-W589 PolarHBondContact OG-NE1 2.76Å
580	C	94.2	Very high	92.1	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	155.9	168	47.7	0	0	0	0	112.6	V306 I309 C564 I565 G566	V306-C580 HydrophobicContact CB-CB 3.8Å; V306-C580 HydrophobicContact CG1-CB 3.63Å; I309-C580 HydrophobicContact CD1-CB 3.35Å; I309-C580 HydrophobicContact CG1-CB 3.91Å; C564-C580 CarbonylContact C-O 3.58Å; C564-C580 WeakPolarHBondContact CA-O 3.12Å; I565-C580 PolarHBondContact N-O 3.49Å; G566-C580 WeakPolarHBondContact CA-SG 3.16Å; G566-C580 PolarHBondContact N-SG 2.83Å; G566-C580 PolarHBondContact O-N 3.46Å
581	G	91.7	Very high	92.2	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	178.8	167.1	0	0	0	0	0	115.2	V306 V563 D583 G584 V585	V306-G581 PolarHBondContact N-O 3.08Å; V563-G581 CarbonylContact O-C 3.53Å; V563-G581 WeakPolarHBondContact O-CA 3.3Å; G581-D583 PolarHBondContact O-N 2.81Å; G581-G584 PolarHBondContact O-N 3.28Å; G581-V585 PolarHBondContact N-O 2.79Å
582	W	92.7	Very high	92.5	Very high	102 Å²	102	22.4 Å²	22.4	39%	0.386	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-5.1	173.3	-76.1	-6.3	0	0	0	114.3	G305 M324 V522 V563 I565 G584	G305-W582 WeakPolarHBondContact CA-O 3.02Å; M324-W582 VanDerWaalsContact CE-CD1 3.45Å; M324-W582 HydrophobicContact CE-CD2 3.97Å; M324-W582 HydrophobicContact CE-CG 3.97Å; M324-W582 HydrophobicContact CE-CZ2 4.17Å; V522-W582 HydrophobicContact CG1-CH2 3.71Å; V522-W582 HydrophobicContact CG1-CZ2 3.87Å; V522-W582 HydrophobicContact CG1-CZ3 4.31Å; V522-W582 HydrophobicContact CG2-CH2 4.41Å; V563-W582 HydrophobicContact CB-CD2 4.17Å; V563-W582 HydrophobicContact CB-CE3 4.13Å; V563-W582 HydrophobicContact CB-CG 4.4Å; V563-W582 HydrophobicContact CG2-CD2 4.28Å; V563-W582 HydrophobicContact CG2-CE3 3.73Å; V563-W582 HydrophobicContact CG2-CZ3 4.03Å; V563-W582 PolarHBondContact O-N 2.85Å; I565-W582 HydrophobicContact CD1-CG 4.3Å; W582-G584 PolarHBondContact O-N 3.28Å
583	D	92.9	Very high	92.9	Very high	49 Å²	49	22.9 Å²	22.9	26%	0.262	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-6.8	168.8	55.8	-1	0	0	0	113.1	H560 E561 G581 V585	H560-D583 WeakPolarHBondContact CA-OD2 3.35Å; H560-D583 VanDerWaalsContact CB-OD2 3.28Å; H560-D583 WeakPolarHBondContact CB-OD2 3.29Å; H560-D583 IonicContact CE1-OD1 3.54Å; H560-D583 IonicContact CG-OD1 2.74Å; H560-D583 IonicContact CG-OD2 2.7Å; H560-D583 VanDerWaalsContact ND1-CG 3.28Å; H560-D583 IonicContact ND1-OD1 2.86Å; H560-D583 PolarHBondContact ND1-OD1 2.87Å; H560-D583 IonicContact ND1-OD2 2.66Å; H560-D583 PolarHBondContact ND1-OD2 3.06Å; E561-D583 PolarHBondContact N-OD2 2.91Å; G581-D583 PolarHBondContact O-N 2.81Å; D583-V585 VanDerWaalsContact C-N 3.31Å; D583-V585 PolarHBondContact OD1-N 3.34Å
584	G	93	Very high	93.1	Very high	3 Å²	3	23.6 Å²	23.6	3%	0.031	12%	0.116	C	C	.	.	S	Bend	trans	82.3	12.3	177.3	0	0	0	0	0	113.7	K304 G581 W582	K304-G584 WeakPolarHBondContact O-CA 3.23Å; G581-G584 PolarHBondContact O-N 3.28Å; W582-G584 PolarHBondContact O-N 3.28Å
585	V	95.3	Very high	93.4	Very high	30 Å²	30	21.8 Å²	21.8	18%	0.182	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	146.4	-174	-178.1	0	0	0	0	110	T298 H560 G581 D583 K587	T298-V585 HydrophobicContact CG2-CG1 3.14Å; H560-V585 PolarHBondContact CE1-O 3.27Å; H560-V585 VanDerWaalsContact CE1-O 3.22Å; G581-V585 PolarHBondContact N-O 2.79Å; D583-V585 VanDerWaalsContact C-N 3.31Å; D583-V585 PolarHBondContact OD1-N 3.34Å; V585-K587 HydrophobicContact CG1-CG 4.08Å
586	I	96	Very high	93.7	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	128.4	169.8	-47.7	173.5	0	0	0	108	T298 W299 V306 I309 L319 S321 S579	T298-I586 CarbonylContact C-O 3.58Å; T298-I586 WeakPolarHBondContact CA-O 3.11Å; W299-I586 HydrophobicContact CB-CB 4.18Å; W299-I586 HydrophobicContact CD2-CB 4.48Å; W299-I586 HydrophobicContact CE3-CB 3.68Å; W299-I586 HydrophobicContact CE3-CG2 3.41Å; W299-I586 VanDerWaalsContact CE3-CG2 3.41Å; W299-I586 HydrophobicContact CZ3-CB 4.46Å; W299-I586 HydrophobicContact CZ3-CG2 3.7Å; W299-I586 PolarHBondContact N-O 3.34Å; W299-I586 PolarHBondContact O-N 2.72Å; W299-I586 VanDerWaalsContact O-N 3.16Å; V306-I586 HydrophobicContact CG1-CD1 4.42Å; V306-I586 HydrophobicContact CG1-CG1 4.39Å; V306-I586 HydrophobicContact CG2-CG1 4.13Å; I309-I586 HydrophobicContact CD1-CB 4.17Å; I309-I586 HydrophobicContact CD1-CD1 3.88Å; I309-I586 HydrophobicContact CD1-CG1 3.87Å; I309-I586 HydrophobicContact CD1-CG2 3.34Å; I309-I586 HydrophobicContact CG1-CD1 4.29Å; L319-I586 HydrophobicContact CD2-CD1 3.95Å; L319-I586 HydrophobicContact CD2-CG2 4.44Å; S321-I586 WeakPolarHBondContact OG-CD1 3.22Å; S579-I586 CarbonylContact O-C 3.53Å; S579-I586 VanDerWaalsContact O-CA 3.3Å; S579-I586 WeakPolarHBondContact O-CA 3.22Å; S579-I586 WeakPolarHBondContact O-CG2 3.47Å
587	K	95.7	Very high	93.8	Very high	41 Å²	41	21.2 Å²	21.2	18%	0.178	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	136.7	-177	-71.3	-174.7	-176.4	-172	0	110.4	L295 T298 A559 A578 S579 V585 W589	L295-K587 HydrophobicContact CD1-CB 3.58Å; L295-K587 HydrophobicContact CD1-CD 4.06Å; L295-K587 HydrophobicContact CD1-CG 3.89Å; T298-K587 HydrophobicContact CG2-CG 4.48Å; A559-K587 WeakPolarHBondContact O-CD 3.41Å; A559-K587 VanDerWaalsContact O-CE 3.3Å; A559-K587 WeakPolarHBondContact O-CE 3.28Å; A559-K587 PolarHBondContact O-NZ 2.84Å; A578-K587 CarbonylContact C-O 3.58Å; A578-K587 WeakPolarHBondContact CA-O 3.26Å; S579-K587 PolarHBondContact N-O 3.24Å; S579-K587 PolarHBondContact O-N 2.68Å; V585-K587 HydrophobicContact CG1-CG 4.08Å; K587-W589 HydrophobicContact CB-CZ2 3.93Å; K587-W589 HydrophobicContact CD-CH2 4.42Å; K587-W589 HydrophobicContact CD-CZ2 3.76Å; K587-W589 HydrophobicContact CG-CZ2 4.46Å
588	F	95.2	Very high	93.9	Very high	1 Å²	1	22.8 Å²	22.8	0%	0.004	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	123.6	179	-163.3	-129.4	0	0	0	110.1	I296 H297 W299 W311 V333 K576 I577 A578	I296-F588 HydrophobicContact CB-CD1 4.14Å; I296-F588 HydrophobicContact CD1-CD1 3.59Å; I296-F588 HydrophobicContact CD1-CE1 3.77Å; I296-F588 HydrophobicContact CD1-CG 4.47Å; I296-F588 HydrophobicContact CG1-CD1 4.4Å; I296-F588 PolarHBondContact N-O 2.9Å; H297-F588 HydrophobicContact CB-CB 4.19Å; H297-F588 PolarHBondContact N-O 3.2Å; H297-F588 PolarHBondContact O-N 2.95Å; W299-F588 HydrophobicContact CH2-CB 3.71Å; W299-F588 HydrophobicContact CH2-CD1 4.44Å; W299-F588 AromaticContact CH2-CD2 3.86Å; W299-F588 HydrophobicContact CH2-CD2 3.86Å; W299-F588 AromaticContact CH2-CG 3.77Å; W299-F588 HydrophobicContact CH2-CG 3.77Å; W299-F588 HydrophobicContact CZ3-CB 3.65Å; W299-F588 HydrophobicContact CZ3-CD2 4.22Å; W299-F588 HydrophobicContact CZ3-CG 4.15Å; W311-F588 HydrophobicContact CH2-CD2 4.37Å; W311-F588 AromaticContact CH2-CE2 3.73Å; W311-F588 HydrophobicContact CH2-CE2 3.73Å; W311-F588 HydrophobicContact CZ2-CE2 4.33Å; V333-F588 HydrophobicContact CG1-CE1 4.19Å; V333-F588 HydrophobicContact CG1-CE2 4.22Å; V333-F588 HydrophobicContact CG1-CZ 3.71Å; K576-F588 HydrophobicContact CB-CE1 4.44Å; K576-F588 HydrophobicContact CB-CE2 3.98Å; K576-F588 HydrophobicContact CB-CZ 3.71Å; K576-F588 HydrophobicContact CD-CD1 4.48Å; K576-F588 HydrophobicContact CD-CE1 3.43Å; K576-F588 VanDerWaalsContact CD-CE1 3.43Å; K576-F588 HydrophobicContact CD-CE2 4.44Å; K576-F588 HydrophobicContact CD-CZ 3.42Å; K576-F588 VanDerWaalsContact CD-CZ 3.42Å; K576-F588 HydrophobicContact CG-CZ 4.18Å; I577-F588 CarbonylContact O-C 3.59Å; I577-F588 WeakPolarHBondContact O-CA 3.21Å; I577-F588 WeakPolarHBondContact O-CD2 3.34Å; A578-F588 HydrophobicContact CB-CD2 4.2Å
589	W	94.8	Very high	93.9	Very high	22 Å²	22	24.7 Å²	24.7	8%	0.083	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	150.7	-170.9	-52.9	89.3	0	0	0	110.7	P292 K294 L295 W557 A559 K576 I577 S579 K587	P292-W589 HydrophobicContact CB-CB 3.83Å; P292-W589 HydrophobicContact CG-CB 4.12Å; K294-W589 VanDerWaalsContact O-CA 3.31Å; K294-W589 WeakPolarHBondContact O-CA 3.16Å; L295-W589 HydrophobicContact CB-CE3 4.02Å; L295-W589 HydrophobicContact CB-CH2 4.34Å; L295-W589 HydrophobicContact CB-CZ3 3.82Å; L295-W589 HydrophobicContact CD1-CD2 4.06Å; L295-W589 HydrophobicContact CD1-CE3 4.16Å; L295-W589 HydrophobicContact CD1-CH2 4.05Å; L295-W589 HydrophobicContact CD1-CZ2 3.94Å; L295-W589 HydrophobicContact CD1-CZ3 4.16Å; W557-W589 AromaticContact CD1-CH2 3.82Å; W557-W589 AromaticContact CD1-CZ3 3.87Å; W557-W589 HydrophobicContact CZ2-CD2 4.48Å; W557-W589 AromaticContact NE1-CD2 3.82Å; W557-W589 AromaticContact NE1-CE2 3.85Å; W557-W589 AromaticContact NE1-CE3 3.64Å; W557-W589 AromaticContact NE1-CH2 3.58Å; W557-W589 AromaticContact NE1-CZ2 3.76Å; W557-W589 AromaticContact NE1-CZ3 3.51Å; A559-W589 HydrophobicContact CB-CH2 4.24Å; A559-W589 HydrophobicContact CB-CZ2 3.52Å; K576-W589 CarbonylContact C-O 3.58Å; K576-W589 WeakPolarHBondContact CA-O 3.38Å; I577-W589 HydrophobicContact CB-CB 4.41Å; I577-W589 PolarHBondContact N-O 3.05Å; I577-W589 PolarHBondContact O-N 2.87Å; S579-W589 PolarHBondContact OG-NE1 2.76Å; K587-W589 HydrophobicContact CB-CZ2 3.93Å; K587-W589 HydrophobicContact CD-CH2 4.42Å; K587-W589 HydrophobicContact CD-CZ2 3.76Å; K587-W589 HydrophobicContact CG-CZ2 4.46Å
590	D	91.5	Very high	93.9	Very high	48 Å²	48	26.9 Å²	26.9	26%	0.257	13%	0.126	S	C	.	.			trans	-152.5	0	174.2	178.2	50.4	0	0	0	112.8	P292 K293 K294 I296 S575 K576	P292-D590 CarbonylContact C-O 3.5Å; P292-D590 VanDerWaalsContact CA-OXT 3.26Å; P292-D590 WeakPolarHBondContact CA-OXT 3.26Å; K293-D590 PolarHBondContact N-O 2.75Å; K294-D590 VanDerWaalsContact CG-O 3.22Å; K294-D590 WeakPolarHBondContact CG-O 3.27Å; K294-D590 PolarHBondContact N-O 3.2Å; K294-D590 PolarHBondContact O-N 3.02Å; I296-D590 HydrophobicContact CD1-CB 3.15Å; I296-D590 HydrophobicContact CG1-CB 3.57Å; S575-D590 VanDerWaalsContact CB-OD1 3.31Å; S575-D590 WeakPolarHBondContact CB-OD1 3.44Å; S575-D590 WeakPolarHBondContact CB-OXT 3.45Å; S575-D590 PolarHBondContact OG-OD1 3.14Å; K576-D590 HydrophobicContact CD-CB 4.3Å; K576-D590 HydrophobicContact CG-CB 4.01Å

Retrieved 590 of 590 residues in 289.9 ms (Link to these results)

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