A0A077Z2D1_TRITR Loading...

Ldl recept a domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z2D1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 776 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.6	Very low	31	Very low	232 Å²	232	142.9 Å²	142.9	100%	1.143	86%	0.86	S	S	*	*				0	77.8	0	-63	166	79.7	0	0	105
2	S	31	Very low	30.4	Very low	128 Å²	128	136.6 Å²	136.6	90%	0.895	85%	0.846	S	S	*	*				79.8	109	91.3	-53.3	0	0	0	0	110.8
3	G	32.8	Very low	30.3	Very low	77 Å²	77	143.8 Å²	143.8	79%	0.794	85%	0.848	S	S	*	*			cis	179.9	151.7	-5.7	0	0	0	0	0	111.1
4	L	31.1	Very low	29.9	Very low	172 Å²	172	150.6 Å²	150.6	90%	0.901	85%	0.852	S	S	*	*			trans	-83.8	163.9	170.1	-78.8	162.9	0	0	0	111
5	P	35.2	Very low	29.7	Very low	128 Å²	128	147.3 Å²	147.3	83%	0.831	85%	0.851	S	S	*	*			trans	-124.2	157.6	130.4	36.4	-29.9	0	0	0	112.4
6	A	31	Very low	29.3	Very low	103 Å²	103	144.6 Å²	144.6	85%	0.851	84%	0.843	S	S	*	*			trans	-126.1	150.1	178.5	0	0	0	0	0	111.2
7	A	35.4	Very low	29.2	Very low	93 Å²	93	150 Å²	150	77%	0.769	85%	0.848	S	S	*	*			trans	-160.3	116.8	155.2	0	0	0	0	0	106.3
8	N	28.7	Very low	29	Very low	156 Å²	156	148.7 Å²	148.7	83%	0.834	84%	0.844	S	S	*	*				54.3	107.5	77.7	-74.1	-1.9	0	0	0	113.3
9	E	31	Very low	28.9	Very low	191 Å²	191	147.3 Å²	147.3	89%	0.893	84%	0.841	S	S	*	*				-165.1	153.6	93.1	-99	178.9	-173.9	0	0	111.7
10	S	26.3	Very low	29	Very low	104 Å²	104	145.7 Å²	145.7	73%	0.727	84%	0.839	S	S	*	*			trans	-108.4	143.4	-179.5	60.3	0	0	0	0	110.9
11	F	26.8	Very low	29.1	Very low	188 Å²	188	144.6 Å²	144.6	83%	0.825	83%	0.83	S	S	*	*			trans	-157	109.5	152.1	-105.1	-70.9	0	0	0	111.5
12	G	24.5	Very low	29.1	Very low	67 Å²	67	141.8 Å²	141.8	69%	0.691	81%	0.812	S	S	*	*			trans	-98.5	156.1	162.9	0	0	0	0	0	111.1
13	R	29	Very low	29	Very low	231 Å²	231	140.2 Å²	140.2	87%	0.872	81%	0.807	S	S	*	*			trans	-157.9	140.5	158.7	-108.8	161.1	-155.7	-155.7	6.1	112
14	R	24.5	Very low	28.9	Very low	239 Å²	239	141.5 Å²	141.5	90%	0.902	80%	0.803	S	S	*	*			trans	-75.6	151.4	177.3	-65.8	172.2	172.1	164.1	-4.6	111.7
15	A	27.2	Very low	28.9	Very low	101 Å²	101	137.9 Å²	137.9	84%	0.835	79%	0.793	S	S	*	*			trans	-145	120	143.2	0	0	0	0	0	109.9
16	S	22.8	Very low	28.7	Very low	103 Å²	103	138.1 Å²	138.1	72%	0.72	79%	0.787	S	S	*	*			trans	-122.4	132.8	168.2	-51.1	0	0	0	0	106.9
17	Y	27.2	Very low	28.7	Very low	237 Å²	237	140.4 Å²	140.4	93%	0.929	78%	0.78	S	S	*	*			trans	-148.5	133.5	164.7	-100.1	-74.8	0	0	0	112
18	T	25.7	Very low	28.3	Very low	127 Å²	127	144.2 Å²	144.2	78%	0.779	79%	0.787	S	S	*	*			trans	-99.8	150.8	176.1	47.8	0	0	0	0	110.7
19	P	27.1	Very low	28.4	Very low	122 Å²	122	140.7 Å²	140.7	79%	0.792	79%	0.787	S	S	*	*			trans	-91.5	152.3	178.3	35.3	-33.8	0	0	0	112.8
20	S	30.8	Very low	28.3	Very low	114 Å²	114	140.2 Å²	140.2	80%	0.797	79%	0.787	S	S	*	*			trans	-156.6	127.8	164	-77.5	0	0	0	0	113.5
21	D	31.5	Very low	28.6	Very low	123 Å²	123	141 Å²	141	66%	0.658	79%	0.793	S	S	*	*			trans	69.8	116.2	140.3	-80.4	8.5	0	0	0	124.9
22	K	30.9	Very low	28.6	Very low	173 Å²	173	137.8 Å²	137.8	75%	0.752	79%	0.789	S	S	*	*				91.9	101	123.5	-73.7	173.7	177	125.6	0	121.7
23	A	29.9	Very low	29.1	Very low	96 Å²	96	144.8 Å²	144.8	79%	0.793	80%	0.8	S	S	*	*				65.3	122.6	115	0	0	0	0	0	121.3
24	S	31.2	Very low	28.9	Very low	103 Å²	103	143.2 Å²	143.2	72%	0.72	80%	0.799	S	S	*	*				154.4	120.1	100.4	-167	0	0	0	0	113.9
25	S	30.6	Very low	29.3	Very low	97 Å²	97	138.8 Å²	138.8	68%	0.678	80%	0.799	S	S	*	*			trans	45.5	116	134.6	-33.4	0	0	0	0	121.5
26	N	31.1	Very low	29.6	Very low	132 Å²	132	140 Å²	140	71%	0.706	80%	0.796	S	S	*	*				171.7	147.3	89	-109.2	15.4	0	0	0	115.5
27	E	30.3	Very low	30	Very low	152 Å²	152	140.8 Å²	140.8	71%	0.71	80%	0.798	S	S	*	*			trans	53.6	112.7	142.6	-66.6	-179	108.9	0	0	121.4
28	L	27.9	Very low	30.3	Very low	173 Å²	173	137.8 Å²	137.8	91%	0.906	80%	0.797	S	S	*	*				88.3	115.9	80.1	-122.1	106.3	0	0	0	114
29	G	30.2	Very low	30.6	Very low	82 Å²	82	134.7 Å²	134.7	85%	0.845	79%	0.79	S	S	*	*			trans	-174.4	76.9	-179.2	0	0	0	0	0	115.1
30	M	28.6	Very low	30.6	Very low	180 Å²	180	136.7 Å²	136.7	89%	0.887	79%	0.793	S	S	*	*			trans	-77	135.9	-175.7	-178.7	174.2	72.7	0	0	114
31	S	32.2	Very low	30.7	Very low	122 Å²	122	137.4 Å²	137.4	85%	0.853	80%	0.798	S	S	*	*			trans	-157.9	138.7	149	-139.4	0	0	0	0	114.2
32	T	28.2	Very low	30.6	Very low	120 Å²	120	140.6 Å²	140.6	74%	0.736	81%	0.806	S	S	*	*			trans	-110.7	155	-174.2	49	0	0	0	0	111.8
33	K	33.3	Very low	30.8	Very low	213 Å²	213	139.6 Å²	139.6	93%	0.926	81%	0.814	S	S	*	*			trans	-159.4	118	151.9	-115.4	163.7	-171.4	177.3	0	113.9
34	K	26.3	Very low	30.8	Very low	198 Å²	198	138.1 Å²	138.1	86%	0.861	81%	0.808	S	S	*	*			trans	-79.8	146.9	165.5	-87.4	177.2	168.2	176.4	0	110.9
35	V	32.7	Very low	31	Very low	147 Å²	147	139.7 Å²	139.7	89%	0.891	82%	0.816	S	S	*	*			trans	-142	142.5	144.2	-176.6	0	0	0	0	109
36	T	32.9	Very low	31.1	Very low	125 Å²	125	140.1 Å²	140.1	77%	0.767	83%	0.825	S	S	*	*			trans	-107.3	169.2	-172.3	24.9	0	0	0	0	113.6
37	P	30.4	Very low	30.9	Very low	120 Å²	120	145.5 Å²	145.5	78%	0.779	84%	0.836	S	S	*	*			trans	-102.3	165.2	-162.4	39.4	-37	0	0	0	117
38	I	33.7	Very low	31.1	Very low	174 Å²	174	144.4 Å²	144.4	89%	0.892	84%	0.84	S	S	*	*			trans	-152.4	144.6	167.5	-50.5	177.9	0	0	0	107.3
39	G	32.7	Very low	31.1	Very low	62 Å²	62	143.5 Å²	143.5	64%	0.639	84%	0.836	S	S	*	*			cis	152	119.4	-10.1	0	0	0	0	0	114.7
40	L	28.3	Very low	31.3	Very low	165 Å²	165	150.3 Å²	150.3	86%	0.864	84%	0.837	S	S	*	*			trans	60.5	123.6	161.5	-67.4	163.7	0	0	0	121.4
41	S	31.4	Very low	31.2	Very low	128 Å²	128	148 Å²	148	90%	0.895	83%	0.829	S	S	*	*				-165.5	152.6	122.2	-89.7	0	0	0	0	114.5
42	K	30.2	Very low	31.5	Very low	191 Å²	191	150 Å²	150	83%	0.83	82%	0.824	S	S	*	*			trans	-105.8	149.3	-173.1	-52.6	166.3	176.3	177.7	0	111.5
43	V	34.4	Very low	31.8	Very low	152 Å²	152	150.3 Å²	150.3	92%	0.921	82%	0.822	S	S	*	*			trans	-144.6	144.5	142.6	-176.1	0	0	0	0	109.1
44	G	31.3	Very low	31.7	Very low	65 Å²	65	144.5 Å²	144.5	67%	0.67	81%	0.808	S	S	*	*			trans	-100.2	-163	-174.6	0	0	0	0	0	116
45	P	34.9	Very low	32.1	Very low	136 Å²	136	142.6 Å²	142.6	88%	0.883	81%	0.807	S	S	*	*			trans	-105.6	171.6	-145.3	40.2	-38.4	0	0	0	116
46	A	32.2	Very low	32	Very low	105 Å²	105	143 Å²	143	87%	0.868	80%	0.803	S	S	*	*			trans	-140.5	135.1	166.1	0	0	0	0	0	112.6
47	R	27.9	Very low	32.1	Very low	245 Å²	245	142.4 Å²	142.4	93%	0.925	80%	0.801	S	S	*	*			trans	-96.7	145.7	165.7	-71.9	171.8	164.3	174.1	-6.9	109.3
48	T	33.1	Very low	32.2	Very low	130 Å²	130	141.2 Å²	141.2	80%	0.798	80%	0.796	S	S	*	*			trans	-153.7	124.6	148.7	41.7	0	0	0	0	111.7
49	N	29.1	Very low	32.3	Very low	154 Å²	154	140.2 Å²	140.2	82%	0.824	79%	0.793	S	S	*	*			trans	-69.1	154.9	158.3	-76.7	-7.5	0	0	0	110.2
50	Y	32.9	Very low	32.5	Very low	224 Å²	224	141.8 Å²	141.8	88%	0.878	79%	0.794	S	S	*	*			trans	-150.2	106.4	149.3	-102.5	-74.4	0	0	0	111.8
51	D	28.3	Very low	32.8	Very low	133 Å²	133	143.4 Å²	143.4	71%	0.711	79%	0.794	S	S	*	*			trans	-82.4	141.3	151.1	-76.6	-59.3	0	0	0	109
52	H	38.5	Very low	32.9	Very low	163 Å²	163	145.1 Å²	145.1	76%	0.755	79%	0.788	S	S	*	*				156.7	137	127	-93.1	-64.8	0	0	0	115.8
53	N	33.7	Very low	33	Very low	127 Å²	127	144.5 Å²	144.5	68%	0.679	79%	0.79	S	S	*	*			trans	61.9	106.6	136.9	-62.7	-2.9	0	0	0	121.8
54	S	31.9	Very low	33.1	Very low	90 Å²	90	142.4 Å²	142.4	63%	0.629	78%	0.782	S	S	*	*				31.3	125.7	118.7	48.8	0	0	0	0	120.8
55	N	33	Very low	33.3	Very low	158 Å²	158	146.8 Å²	146.8	85%	0.845	79%	0.791	S	S	*	*				-177.7	155.6	103.7	-93	-59.1	0	0	0	114.4
56	L	30.4	Very low	33.5	Very low	155 Å²	155	144.8 Å²	144.8	81%	0.812	79%	0.785	S	S	*	*			trans	-60.1	161.2	173.5	-96.3	106.9	0	0	0	113.9
57	P	35.6	Very low	33.6	Very low	113 Å²	113	146.3 Å²	146.3	73%	0.734	78%	0.784	S	S	*	*				-158.3	143.2	81.8	39.3	-16.8	0	0	0	121.5
58	S	32.8	Very low	34.2	Very low	95 Å²	95	140.4 Å²	140.4	66%	0.664	78%	0.78	S	S	*	*				73.6	149.5	126.9	-59.2	0	0	0	0	125.3
59	N	35.7	Very low	34.4	Very low	154 Å²	154	141.9 Å²	141.9	82%	0.824	78%	0.783	S	S	*	*			trans	86.1	139.9	163.4	-56	-21.4	0	0	0	117.6
60	S	36.3	Very low	34.9	Very low	95 Å²	95	143.7 Å²	143.7	66%	0.664	79%	0.787	S	S	*	*			cis	-178.8	137.6	-20.7	49.5	0	0	0	0	109.3
61	F	34.6	Very low	35.5	Very low	199 Å²	199	137.4 Å²	137.4	87%	0.873	78%	0.776	S	S	*	*			trans	-166.4	154.5	139.3	-124.3	-89.7	0	0	0	112.5
62	Q	34.3	Very low	36.1	Very low	164 Å²	164	136.3 Å²	136.3	77%	0.766	78%	0.776	S	S	*	*			trans	-84.5	146.5	-166.3	-63.7	155.6	-44.4	0	0	112
63	M	31.8	Very low	36.6	Very low	178 Å²	178	139.6 Å²	139.6	88%	0.877	78%	0.781	S	S	*	*			cis	77	112	45.4	-160.8	-176	134.6	0	0	115.2
64	S	37.4	Very low	37.4	Very low	107 Å²	107	141.1 Å²	141.1	75%	0.748	78%	0.782	S	S	*	*			trans	-166.7	119	158.9	-82.8	0	0	0	0	112.9
65	N	35.4	Very low	38.4	Very low	158 Å²	158	144.2 Å²	144.2	85%	0.845	78%	0.784	S	S	*	*			trans	57.9	145.2	148.7	-60	-15.3	0	0	0	120.7
66	A	37.9	Very low	39.4	Very low	94 Å²	94	147.5 Å²	147.5	78%	0.777	79%	0.785	S	S	*	*			cis	-158.6	171.8	-13	0	0	0	0	0	110.7
67	T	35.2	Very low	40.9	Very low	137 Å²	137	143.3 Å²	143.3	84%	0.84	77%	0.768	S	S	*	*			trans	-73.9	148.9	-168.9	52.4	0	0	0	0	117.2
68	S	39.7	Very low	42.4	Very low	120 Å²	120	142.6 Å²	142.6	84%	0.839	76%	0.758	S	S	*	*				-164.3	162.7	118.1	66.4	0	0	0	0	112.6
69	N	38.9	Very low	44.4	Very low	162 Å²	162	143.1 Å²	143.1	87%	0.866	75%	0.752	S	S	*	*			trans	-87.8	143.9	-168.2	-67.1	-53.6	0	0	0	114
70	E	39.4	Very low	46.3	Very low	192 Å²	192	139.3 Å²	139.3	90%	0.897	74%	0.735	S	S	*	*			trans	-155.2	156.2	140.8	-124.4	-176.4	-175.5	0	0	116.5
71	S	44.2	Very low	48.5	Very low	92 Å²	92	138.9 Å²	138.9	64%	0.643	72%	0.724	S	S	*	*			trans	-50.6	145.3	-159.9	-172	0	0	0	0	120.4	R73	S71-R73 PolarHBondContact O-N 3.01Å
72	P	42.1	Very low	50.6	Low	109 Å²	109	133.2 Å²	133.2	71%	0.708	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.3	70.5	-177.8	37	-38.1	0	0	0	113.9
73	R	49.3	Very low	52.9	Low	233 Å²	233	130.5 Å²	130.5	88%	0.879	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.6	-24.8	158.6	-85.6	-172.8	173.7	178.1	-1.6	114.6	S71 K75	S71-R73 PolarHBondContact O-N 3.01Å; R73-K75 VanDerWaalsContact C-N 3.35Å; R73-K75 PolarHBondContact O-N 3.09Å
74	K	50.4	Low	55.5	Low	159 Å²	159	126.7 Å²	126.7	69%	0.691	68%	0.68	S	S	*	*	S	Bend	trans	-73.1	-20.8	174.7	-72.2	179.9	176.7	173.9	0	114	R76 S77 L78	K74-R76 PolarHBondContact O-N 3.48Å; K74-S77 PolarHBondContact O-N 2.91Å; K74-S77 VanDerWaalsContact O-N 3.09Å; K74-L78 HydrophobicContact CB-CD1 4.14Å; K74-L78 PolarHBondContact O-N 3.13Å
75	K	51.9	Low	57.8	Low	155 Å²	155	125.9 Å²	125.9	67%	0.674	67%	0.667	S	S	*	*	H	α-helix	trans	-59.7	-36.7	-174.3	-77.9	-168.8	173.8	-174.2	0	114.9	R73 L78 I79	R73-K75 VanDerWaalsContact C-N 3.35Å; R73-K75 PolarHBondContact O-N 3.09Å; K75-L78 PolarHBondContact O-N 3.3Å; K75-I79 WeakPolarHBondContact O-CD1 3.36Å; K75-I79 VanDerWaalsContact O-CG1 3.3Å; K75-I79 WeakPolarHBondContact O-CG1 3.43Å; K75-I79 PolarHBondContact O-N 3.47Å; K75-I79 VanDerWaalsContact O-N 3.11Å
76	R	55.2	Low	60.3	Low	226 Å²	226	120.2 Å²	120.2	85%	0.853	65%	0.646	S	S	*	*	H	α-helix	trans	-68.3	-36.4	175.1	-102.9	-175.4	176.9	177.1	-1.2	112.7	K74 T80	K74-R76 PolarHBondContact O-N 3.48Å; R76-T80 PolarHBondContact O-N 3.11Å; R76-T80 PolarHBondContact O-OG1 3.49Å; R76-T80 VanDerWaalsContact O-OG1 3.13Å
77	S	61.8	Low	62.6	Low	67 Å²	67	120.6 Å²	120.6	47%	0.469	63%	0.634	S	S	.	*	H	α-helix	trans	-73	-34.5	175.6	-166.2	0	0	0	0	112.5	K74 T80 I81	K74-S77 PolarHBondContact O-N 2.91Å; K74-S77 VanDerWaalsContact O-N 3.09Å; S77-T80 PolarHBondContact O-OG1 3.27Å; S77-I81 WeakPolarHBondContact O-CB 3.49Å; S77-I81 WeakPolarHBondContact O-CD1 3.4Å; S77-I81 WeakPolarHBondContact O-CG1 3.3Å; S77-I81 PolarHBondContact O-N 3.01Å
78	L	65.9	Low	65.1	Low	99 Å²	99	117.8 Å²	117.8	52%	0.518	61%	0.613	S	S	.	*	H	α-helix	trans	-65.3	-39.9	173.4	-102.2	86	0	0	0	111.5	K74 K75 I81 C82	K74-L78 HydrophobicContact CB-CD1 4.14Å; K74-L78 PolarHBondContact O-N 3.13Å; K75-L78 PolarHBondContact O-N 3.3Å; L78-I81 PolarHBondContact O-N 2.92Å; L78-C82 WeakPolarHBondContact O-CB 3.38Å; L78-C82 PolarHBondContact O-N 2.86Å; L78-C82 PolarHBondContact O-SG 3.21Å
79	I	74.6	Confident	67.3	Low	106 Å²	106	117.5 Å²	117.5	54%	0.544	60%	0.601	S	S	.	*	H	α-helix	trans	-64.3	-42.7	179.2	-67.5	163.7	0	0	0	111.2	K75 C82 L83	K75-I79 WeakPolarHBondContact O-CD1 3.36Å; K75-I79 VanDerWaalsContact O-CG1 3.3Å; K75-I79 WeakPolarHBondContact O-CG1 3.43Å; K75-I79 PolarHBondContact O-N 3.47Å; K75-I79 VanDerWaalsContact O-N 3.11Å; I79-C82 PolarHBondContact O-N 2.84Å; I79-L83 HydrophobicContact CG2-CD1 4.18Å; I79-L83 WeakPolarHBondContact O-CG 3.19Å; I79-L83 PolarHBondContact O-N 3.34Å
80	T	77.5	Confident	69.5	Low	74 Å²	74	115 Å²	115	45%	0.454	59%	0.587	S	S	.	*	H	α-helix	trans	-66	-39.3	173.1	29.1	0	0	0	0	112.7	R76 S77 C82 L83 I84	R76-T80 PolarHBondContact O-N 3.11Å; R76-T80 PolarHBondContact O-OG1 3.49Å; R76-T80 VanDerWaalsContact O-OG1 3.13Å; S77-T80 PolarHBondContact O-OG1 3.27Å; T80-C82 VanDerWaalsContact C-N 3.35Å; T80-C82 PolarHBondContact O-N 3.44Å; T80-L83 PolarHBondContact O-N 3.39Å; T80-I84 WeakPolarHBondContact O-CB 3.34Å; T80-I84 WeakPolarHBondContact O-CD1 3.33Å; T80-I84 VanDerWaalsContact O-CG1 3.24Å; T80-I84 WeakPolarHBondContact O-CG1 3.32Å; T80-I84 PolarHBondContact O-N 2.8Å
81	I	81.1	Confident	71.6	Confident	85 Å²	85	110.2 Å²	110.2	44%	0.436	57%	0.568	S	S	.	*	H	α-helix	trans	-63.4	-40.6	175	-69.5	164.5	0	0	0	111	S77 L78 I84 L85	S77-I81 WeakPolarHBondContact O-CB 3.49Å; S77-I81 WeakPolarHBondContact O-CD1 3.4Å; S77-I81 WeakPolarHBondContact O-CG1 3.3Å; S77-I81 PolarHBondContact O-N 3.01Å; L78-I81 PolarHBondContact O-N 2.92Å; I81-I84 PolarHBondContact O-N 3.27Å; I81-L85 HydrophobicContact CG2-CD1 3.84Å; I81-L85 HydrophobicContact CG2-CG 4.45Å; I81-L85 WeakPolarHBondContact O-CB 3.01Å; I81-L85 VanDerWaalsContact O-CG 3.32Å; I81-L85 WeakPolarHBondContact O-CG 3.36Å; I81-L85 PolarHBondContact O-N 3.24Å
82	C	79.8	Confident	73.6	Confident	80 Å²	80	109.7 Å²	109.7	54%	0.541	56%	0.556	S	S	.	*	H	α-helix	trans	-67.1	-37.4	175.2	-71.1	0	0	0	0	112.8	L78 I79 T80 G86	L78-C82 WeakPolarHBondContact O-CB 3.38Å; L78-C82 PolarHBondContact O-N 2.86Å; L78-C82 PolarHBondContact O-SG 3.21Å; I79-C82 PolarHBondContact O-N 2.84Å; T80-C82 VanDerWaalsContact C-N 3.35Å; T80-C82 PolarHBondContact O-N 3.44Å; C82-G86 PolarHBondContact O-N 2.82Å
83	L	82.7	Confident	75.4	Confident	107 Å²	107	107.7 Å²	107.7	56%	0.56	55%	0.549	S	S	*	.	H	α-helix	trans	-67	-42.2	173.8	-75.7	169.1	0	0	0	111.7	I79 T80 G86 I87	I79-L83 HydrophobicContact CG2-CD1 4.18Å; I79-L83 WeakPolarHBondContact O-CG 3.19Å; I79-L83 PolarHBondContact O-N 3.34Å; T80-L83 PolarHBondContact O-N 3.39Å; L83-G86 PolarHBondContact O-N 2.77Å; L83-I87 WeakPolarHBondContact O-CG1 3.44Å; L83-I87 PolarHBondContact O-N 3.12Å
84	I	86.1	Confident	76.9	Confident	98 Å²	98	100.6 Å²	100.6	50%	0.503	53%	0.528	S	S	.	.	H	α-helix	trans	-64.8	-44.8	176	-68	163.6	0	0	0	110.5	T80 I81 G86 I87 I88	T80-I84 WeakPolarHBondContact O-CB 3.34Å; T80-I84 WeakPolarHBondContact O-CD1 3.33Å; T80-I84 VanDerWaalsContact O-CG1 3.24Å; T80-I84 WeakPolarHBondContact O-CG1 3.32Å; T80-I84 PolarHBondContact O-N 2.8Å; I81-I84 PolarHBondContact O-N 3.27Å; I84-G86 VanDerWaalsContact C-N 3.32Å; I84-G86 PolarHBondContact O-N 2.76Å; I84-I87 PolarHBondContact O-N 3.06Å; I84-I88 HydrophobicContact CG2-CD1 3.76Å; I84-I88 HydrophobicContact CG2-CG1 4.46Å; I84-I88 WeakPolarHBondContact O-CB 3.18Å; I84-I88 VanDerWaalsContact O-CG1 3.27Å; I84-I88 WeakPolarHBondContact O-CG1 3.47Å; I84-I88 PolarHBondContact O-N 2.99Å
85	L	86.1	Confident	78.2	Confident	91 Å²	91	96.3 Å²	96.3	48%	0.476	52%	0.515	S	S	.	.	H	α-helix	trans	-62.7	-37	173.8	-76.4	167.6	0	0	0	112.3	I81 I88 L89	I81-L85 HydrophobicContact CG2-CD1 3.84Å; I81-L85 HydrophobicContact CG2-CG 4.45Å; I81-L85 WeakPolarHBondContact O-CB 3.01Å; I81-L85 VanDerWaalsContact O-CG 3.32Å; I81-L85 WeakPolarHBondContact O-CG 3.36Å; I81-L85 PolarHBondContact O-N 3.24Å; L85-I88 PolarHBondContact O-N 3.34Å; L85-L89 WeakPolarHBondContact O-CB 3.24Å; L85-L89 WeakPolarHBondContact O-CG 3.46Å; L85-L89 PolarHBondContact O-N 2.88Å
86	G	87.2	Confident	79.2	Confident	38 Å²	38	93.4 Å²	93.4	39%	0.392	51%	0.506	S	S	.	.	H	α-helix	trans	-64.6	-43.3	174.3	0	0	0	0	0	112.6	C82 L83 I84 L89 L90	C82-G86 PolarHBondContact O-N 2.82Å; L83-G86 PolarHBondContact O-N 2.77Å; I84-G86 VanDerWaalsContact C-N 3.32Å; I84-G86 PolarHBondContact O-N 2.76Å; G86-L89 PolarHBondContact O-N 2.03Å; G86-L90 WeakPolarHBondContact O-CB 2.97Å; G86-L90 PolarHBondContact O-N 3.48Å
87	I	86.7	Confident	79.9	Confident	102 Å²	102	85.2 Å²	85.2	52%	0.523	48%	0.482	S	S	.	.	H	α-helix	trans	-66.9	-39.9	174.9	-67.4	164.3	0	0	0	110.9	L83 I84 L90 L91	L83-I87 WeakPolarHBondContact O-CG1 3.44Å; L83-I87 PolarHBondContact O-N 3.12Å; I84-I87 PolarHBondContact O-N 3.06Å; I87-L90 PolarHBondContact O-N 2.9Å; I87-L91 HydrophobicContact CG2-CD1 3.98Å; I87-L91 HydrophobicContact CG2-CG 4.41Å; I87-L91 WeakPolarHBondContact O-CB 3.33Å; I87-L91 VanDerWaalsContact O-CG 3.31Å; I87-L91 WeakPolarHBondContact O-CG 3.37Å; I87-L91 PolarHBondContact O-N 2.9Å
88	I	87.3	Confident	80.2	Confident	78 Å²	78	87.2 Å²	87.2	40%	0.4	49%	0.487	S	S	.	.	H	α-helix	trans	-64.8	-42.4	175	-70	166.7	0	0	0	110.7	I84 L85 L91 I92	I84-I88 HydrophobicContact CG2-CD1 3.76Å; I84-I88 HydrophobicContact CG2-CG1 4.46Å; I84-I88 WeakPolarHBondContact O-CB 3.18Å; I84-I88 VanDerWaalsContact O-CG1 3.27Å; I84-I88 WeakPolarHBondContact O-CG1 3.47Å; I84-I88 PolarHBondContact O-N 2.99Å; L85-I88 PolarHBondContact O-N 3.34Å; I88-L91 PolarHBondContact O-N 2.86Å; I88-I92 HydrophobicContact CG2-CD1 3.81Å; I88-I92 HydrophobicContact CG2-CG1 4.48Å; I88-I92 WeakPolarHBondContact O-CB 3.42Å; I88-I92 VanDerWaalsContact O-CG1 3.24Å; I88-I92 WeakPolarHBondContact O-CG1 3.47Å; I88-I92 PolarHBondContact O-N 2.9Å
89	L	86.5	Confident	80.2	Confident	114 Å²	114	86 Å²	86	60%	0.597	48%	0.484	S	S	*	.	H	α-helix	trans	-67	-35.8	175.4	-77.5	168	0	0	0	112.4	L85 G86 I92 A93	L85-L89 WeakPolarHBondContact O-CB 3.24Å; L85-L89 WeakPolarHBondContact O-CG 3.46Å; L85-L89 PolarHBondContact O-N 2.88Å; G86-L89 PolarHBondContact O-N 2.03Å; L89-I92 PolarHBondContact O-N 3.46Å; L89-A93 VanDerWaalsContact O-CB 3.24Å; L89-A93 WeakPolarHBondContact O-CB 3.27Å; L89-A93 PolarHBondContact O-N 3.28Å
90	L	85	Confident	79.3	Confident	109 Å²	109	85 Å²	85	57%	0.571	48%	0.478	S	S	*	.	H	α-helix	trans	-67.9	-42.8	173.4	-164.5	99.6	0	0	0	111.2	G86 I87 I92 A93 I94	G86-L90 WeakPolarHBondContact O-CB 2.97Å; G86-L90 PolarHBondContact O-N 3.48Å; I87-L90 PolarHBondContact O-N 2.9Å; L90-I92 VanDerWaalsContact C-N 3.34Å; L90-I92 PolarHBondContact O-N 3.32Å; L90-A93 CarbonylContact O-C 3.51Å; L90-A93 PolarHBondContact O-N 3.45Å; L90-A93 VanDerWaalsContact O-N 3.16Å; L90-I94 HydrophobicContact CD2-CD1 3.89Å; L90-I94 HydrophobicContact CG-CD1 3.97Å; L90-I94 VanDerWaalsContact O-CG1 3.3Å; L90-I94 WeakPolarHBondContact O-CG1 3.34Å; L90-I94 PolarHBondContact O-N 2.86Å
91	L	83.3	Confident	78.2	Confident	93 Å²	93	87.6 Å²	87.6	49%	0.487	49%	0.489	S	S	.	.	H	α-helix	trans	-62.9	-39.7	173.4	-76.9	169.3	0	0	0	111.2	I87 I88 I94 V95	I87-L91 HydrophobicContact CG2-CD1 3.98Å; I87-L91 HydrophobicContact CG2-CG 4.41Å; I87-L91 WeakPolarHBondContact O-CB 3.33Å; I87-L91 VanDerWaalsContact O-CG 3.31Å; I87-L91 WeakPolarHBondContact O-CG 3.37Å; I87-L91 PolarHBondContact O-N 2.9Å; I88-L91 PolarHBondContact O-N 2.86Å; L91-I94 PolarHBondContact O-N 3.36Å; L91-V95 WeakPolarHBondContact O-CA 3.34Å; L91-V95 WeakPolarHBondContact O-CB 3.45Å; L91-V95 VanDerWaalsContact O-CG2 3.23Å; L91-V95 WeakPolarHBondContact O-CG2 3.25Å; L91-V95 PolarHBondContact O-N 2.84Å
92	I	84.6	Confident	76.4	Confident	80 Å²	80	86.4 Å²	86.4	41%	0.41	50%	0.498	S	S	.	.	H	α-helix	trans	-66.7	-40.6	171.7	-67.4	165.3	0	0	0	110.1	I88 L89 L90 I94 L96 P97	I88-I92 HydrophobicContact CG2-CD1 3.81Å; I88-I92 HydrophobicContact CG2-CG1 4.48Å; I88-I92 WeakPolarHBondContact O-CB 3.42Å; I88-I92 VanDerWaalsContact O-CG1 3.24Å; I88-I92 WeakPolarHBondContact O-CG1 3.47Å; I88-I92 PolarHBondContact O-N 2.9Å; L89-I92 PolarHBondContact O-N 3.46Å; L90-I92 VanDerWaalsContact C-N 3.34Å; L90-I92 PolarHBondContact O-N 3.32Å; I92-I94 PolarHBondContact O-N 3.4Å; I92-L96 HydrophobicContact CG2-CB 3.98Å; I92-L96 HydrophobicContact CG2-CD2 4.21Å; I92-L96 WeakPolarHBondContact O-CA 3.48Å; I92-L96 WeakPolarHBondContact O-CB 3.33Å; I92-L96 PolarHBondContact O-N 3.31Å; I92-P97 WeakPolarHBondContact O-CD 3.24Å
93	A	80.9	Confident	74.5	Confident	68 Å²	68	89.2 Å²	89.2	56%	0.562	50%	0.503	S	S	*	.	H	α-helix	trans	-69.5	-13.5	177.8	0	0	0	0	0	114.5	L89 L90 P97	L89-A93 VanDerWaalsContact O-CB 3.24Å; L89-A93 WeakPolarHBondContact O-CB 3.27Å; L89-A93 PolarHBondContact O-N 3.28Å; L90-A93 CarbonylContact O-C 3.51Å; L90-A93 PolarHBondContact O-N 3.45Å; L90-A93 VanDerWaalsContact O-N 3.16Å; A93-P97 VanDerWaalsContact O-CD 3.31Å; A93-P97 WeakPolarHBondContact O-CD 3.46Å; A93-P97 WeakPolarHBondContact O-CG 3.4Å
94	I	80.3	Confident	72.3	Confident	83 Å²	83	91.1 Å²	91.1	43%	0.426	51%	0.509	S	S	.	.	H	α-helix	trans	-102.6	-51.9	174.1	-65.9	164	0	0	0	110.2	L90 L91 I92 P97 I98	L90-I94 HydrophobicContact CD2-CD1 3.89Å; L90-I94 HydrophobicContact CG-CD1 3.97Å; L90-I94 VanDerWaalsContact O-CG1 3.3Å; L90-I94 WeakPolarHBondContact O-CG1 3.34Å; L90-I94 PolarHBondContact O-N 2.86Å; L91-I94 PolarHBondContact O-N 3.36Å; I92-I94 PolarHBondContact O-N 3.4Å; I94-P97 WeakPolarHBondContact O-CD 3.44Å; I94-P97 WeakPolarHBondContact O-CG 2.99Å; I94-I98 HydrophobicContact CG2-CD1 3.75Å; I94-I98 WeakPolarHBondContact O-CB 3.24Å; I94-I98 WeakPolarHBondContact O-CD1 2.9Å; I94-I98 WeakPolarHBondContact O-CG1 3.46Å; I94-I98 PolarHBondContact O-N 2.86Å; I94-I98 VanDerWaalsContact O-N 3.11Å
95	V	78.9	Confident	69.8	Low	70 Å²	70	93.7 Å²	93.7	42%	0.424	51%	0.513	S	S	.	.	H	α-helix	trans	-75.1	-34.6	-176.4	-178.9	0	0	0	0	112.1	L91 I98 V99	L91-V95 WeakPolarHBondContact O-CA 3.34Å; L91-V95 WeakPolarHBondContact O-CB 3.45Å; L91-V95 VanDerWaalsContact O-CG2 3.23Å; L91-V95 WeakPolarHBondContact O-CG2 3.25Å; L91-V95 PolarHBondContact O-N 2.84Å; V95-I98 PolarHBondContact O-N 3.38Å; V95-V99 HydrophobicContact CG1-CG2 3.81Å; V95-V99 VanDerWaalsContact O-CB 3.23Å; V95-V99 WeakPolarHBondContact O-CB 3.19Å; V95-V99 WeakPolarHBondContact O-CG2 3.33Å; V95-V99 PolarHBondContact O-N 3.44Å
96	L	72.7	Confident	67.1	Low	93 Å²	93	98.1 Å²	98.1	49%	0.487	53%	0.529	S	S	.	.	H	α-helix	trans	-66.8	-44.2	177.7	-158.5	79	0	0	0	112.2	I92 V99 L100	I92-L96 HydrophobicContact CG2-CB 3.98Å; I92-L96 HydrophobicContact CG2-CD2 4.21Å; I92-L96 WeakPolarHBondContact O-CA 3.48Å; I92-L96 WeakPolarHBondContact O-CB 3.33Å; I92-L96 PolarHBondContact O-N 3.31Å; L96-V99 PolarHBondContact O-N 2.79Å; L96-L100 HydrophobicContact CD2-CD1 4.16Å; L96-L100 HydrophobicContact CG-CD1 3.87Å; L96-L100 HydrophobicContact CG-CG 4.34Å; L96-L100 VanDerWaalsContact O-CB 3.25Å; L96-L100 WeakPolarHBondContact O-CB 3.06Å; L96-L100 WeakPolarHBondContact O-CG 2.98Å; L96-L100 PolarHBondContact O-N 3.16Å
97	P	68.8	Low	64.6	Low	54 Å²	54	100 Å²	100	35%	0.351	54%	0.536	S	S	.	.	H	α-helix	trans	-67.9	-36.3	169.8	22.5	-28.8	0	0	0	112.7	I92 A93 I94 V99 L100 L101	I92-P97 WeakPolarHBondContact O-CD 3.24Å; A93-P97 VanDerWaalsContact O-CD 3.31Å; A93-P97 WeakPolarHBondContact O-CD 3.46Å; A93-P97 WeakPolarHBondContact O-CG 3.4Å; I94-P97 WeakPolarHBondContact O-CD 3.44Å; I94-P97 WeakPolarHBondContact O-CG 2.99Å; P97-V99 VanDerWaalsContact C-N 3.3Å; P97-V99 PolarHBondContact O-N 3.45Å; P97-L100 PolarHBondContact O-N 3.17Å; P97-L101 WeakPolarHBondContact O-CB 3.42Å; P97-L101 WeakPolarHBondContact O-CD1 3.48Å; P97-L101 WeakPolarHBondContact O-CG 3.24Å; P97-L101 PolarHBondContact O-N 2.55Å
98	I	68.1	Low	62.1	Low	110 Å²	110	104.3 Å²	104.3	56%	0.564	55%	0.554	S	S	*	*	H	α-helix	trans	-62	-39	173.9	-69.8	166.7	0	0	0	111.6	I94 V95 G102	I94-I98 HydrophobicContact CG2-CD1 3.75Å; I94-I98 WeakPolarHBondContact O-CB 3.24Å; I94-I98 WeakPolarHBondContact O-CD1 2.9Å; I94-I98 WeakPolarHBondContact O-CG1 3.46Å; I94-I98 PolarHBondContact O-N 2.86Å; I94-I98 VanDerWaalsContact O-N 3.11Å; V95-I98 PolarHBondContact O-N 3.38Å; I98-G102 PolarHBondContact O-N 3.29Å
99	V	66.3	Low	59.7	Low	74 Å²	74	105.9 Å²	105.9	45%	0.448	56%	0.555	S	S	.	*	H	α-helix	trans	-75.4	-38.6	176.9	171	0	0	0	0	111.2	V95 L96 P97 G102 H103	V95-V99 HydrophobicContact CG1-CG2 3.81Å; V95-V99 VanDerWaalsContact O-CB 3.23Å; V95-V99 WeakPolarHBondContact O-CB 3.19Å; V95-V99 WeakPolarHBondContact O-CG2 3.33Å; V95-V99 PolarHBondContact O-N 3.44Å; L96-V99 PolarHBondContact O-N 2.79Å; P97-V99 VanDerWaalsContact C-N 3.3Å; P97-V99 PolarHBondContact O-N 3.45Å; V99-G102 CarbonylContact O-C 3.59Å; V99-G102 PolarHBondContact O-N 2.82Å; V99-H103 WeakPolarHBondContact O-CB 3.35Å; V99-H103 PolarHBondContact O-N 2.79Å
100	L	56.5	Low	57.4	Low	83 Å²	83	103.6 Å²	103.6	44%	0.435	55%	0.549	S	S	.	.	H	α-helix	trans	-68.9	-44.9	176.1	-72.4	167.8	0	0	0	111.2	L96 P97 G102 H103 E104	L96-L100 HydrophobicContact CD2-CD1 4.16Å; L96-L100 HydrophobicContact CG-CD1 3.87Å; L96-L100 HydrophobicContact CG-CG 4.34Å; L96-L100 VanDerWaalsContact O-CB 3.25Å; L96-L100 WeakPolarHBondContact O-CB 3.06Å; L96-L100 WeakPolarHBondContact O-CG 2.98Å; L96-L100 PolarHBondContact O-N 3.16Å; P97-L100 PolarHBondContact O-N 3.17Å; L100-G102 PolarHBondContact O-N 3.3Å; L100-H103 CarbonylContact O-C 3.53Å; L100-H103 PolarHBondContact O-N 2.87Å; L100-E104 WeakPolarHBondContact O-CB 3.2Å; L100-E104 PolarHBondContact O-N 3.46Å
101	L	53.7	Low	55.6	Low	129 Å²	129	105.1 Å²	105.1	68%	0.675	56%	0.558	S	S	*	*	H	α-helix	trans	-59.5	-34	170	-67.8	165.5	0	0	0	111.7	P97	P97-L101 WeakPolarHBondContact O-CB 3.42Å; P97-L101 WeakPolarHBondContact O-CD1 3.48Å; P97-L101 WeakPolarHBondContact O-CG 3.24Å; P97-L101 PolarHBondContact O-N 2.55Å
102	G	43.2	Very low	54.3	Low	60 Å²	60	107.3 Å²	107.3	62%	0.619	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.3	-1.3	173.8	0	0	0	0	0	115.8	I98 V99 L100	I98-G102 PolarHBondContact O-N 3.29Å; V99-G102 CarbonylContact O-C 3.59Å; V99-G102 PolarHBondContact O-N 2.82Å; L100-G102 PolarHBondContact O-N 3.3Å
103	H	39	Very low	53.3	Low	140 Å²	140	106 Å²	106	65%	0.648	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-137.7	-5.9	-172.2	-146.3	-58.2	0	0	0	114.1	V99 L100	V99-H103 WeakPolarHBondContact O-CB 3.35Å; V99-H103 PolarHBondContact O-N 2.79Å; L100-H103 CarbonylContact O-C 3.53Å; L100-H103 PolarHBondContact O-N 2.87Å
104	E	36.8	Very low	52.6	Low	146 Å²	146	103.6 Å²	103.6	68%	0.682	54%	0.539	S	S	*	.	S	Bend	trans	-84.5	-17.6	164.2	-75.1	-173.9	122.6	0	0	112.7	L100 K106	L100-E104 WeakPolarHBondContact O-CB 3.2Å; L100-E104 PolarHBondContact O-N 3.46Å; E104-K106 PolarHBondContact O-N 2.97Å
105	Y	32.9	Very low	52.3	Low	152 Å²	152	101.1 Å²	101.1	60%	0.596	53%	0.528	S	S	*	.			trans	-77.6	55.3	165.7	-101.5	-90	0	0	0	112.4
106	K	29.8	Very low	52.2	Low	185 Å²	185	98.2 Å²	98.2	80%	0.804	51%	0.51	S	S	*	.			trans	-141.3	49	160.6	-146.7	167.8	-167.6	169.1	0	110	E104 E108	E104-K106 PolarHBondContact O-N 2.97Å; K106-E108 PolarHBondContact O-N 2.79Å
107	S	34.4	Very low	52.6	Low	78 Å²	78	97.7 Å²	97.7	55%	0.545	50%	0.504	S	S	.	.			trans	-56.3	121.7	168.6	54.2	0	0	0	0	109.1	Y109	S107-Y109 VanDerWaalsContact C-N 3.35Å; S107-Y109 WeakPolarHBondContact O-CD2 3.07Å; S107-Y109 PolarHBondContact O-N 3.27Å
108	E	34.5	Very low	53	Low	192 Å²	192	95.3 Å²	95.3	90%	0.897	49%	0.489	S	S	*	.			trans	-41.4	87.8	168	-169.6	166.4	-153.3	0	0	111.8	K106 S110	K106-E108 PolarHBondContact O-N 2.79Å; E108-S110 PolarHBondContact O-N 2.81Å; E108-S110 VanDerWaalsContact O-N 3.09Å
109	Y	37.2	Very low	53.5	Low	110 Å²	110	91.8 Å²	91.8	43%	0.431	47%	0.474	S	S	.	.			trans	-66.8	106.9	165.3	-85.9	-95.4	0	0	0	107.3	S107 I114 P232 L284	S107-Y109 VanDerWaalsContact C-N 3.35Å; S107-Y109 WeakPolarHBondContact O-CD2 3.07Å; S107-Y109 PolarHBondContact O-N 3.27Å; Y109-I114 HydrophobicContact CE1-CD1 4.33Å; Y109-P232 HydrophobicContact CD1-CB 4.12Å; Y109-P232 HydrophobicContact CD1-CG 3.92Å; Y109-P232 HydrophobicContact CE1-CB 4.18Å; Y109-P232 HydrophobicContact CE1-CG 4.3Å; Y109-L284 HydrophobicContact CE1-CD2 4.41Å; Y109-L284 VanDerWaalsContact OH-CD2 3.26Å; Y109-L284 WeakPolarHBondContact OH-CD2 3.25Å
110	S	39.4	Very low	54.2	Low	66 Å²	66	88.3 Å²	88.3	46%	0.462	45%	0.453	S	S	.	.			trans	-55.3	154.4	148.2	37.7	0	0	0	0	109.4	E108 E112	E108-S110 PolarHBondContact O-N 2.81Å; E108-S110 VanDerWaalsContact O-N 3.09Å; S110-E112 PolarHBondContact O-N 3.34Å
111	N	45.3	Very low	55.1	Low	141 Å²	141	86.6 Å²	86.6	75%	0.754	44%	0.444	S	S	*	.	S	Bend	trans	-66.4	46.4	178.3	-58.7	39.5	0	0	0	113.6
112	E	57	Low	56.2	Low	139 Å²	139	80.5 Å²	80.5	65%	0.65	41%	0.412	S	S	*	.			trans	-92.2	133	177	-64.9	-171.1	151.4	0	0	109.2	S110	S110-E112 PolarHBondContact O-N 3.34Å
113	T	63.2	Low	57.9	Low	52 Å²	52	79.2 Å²	79.2	32%	0.319	39%	0.39	S	S	.	.			trans	-72.2	145.8	177.9	49	0	0	0	0	110.8	P115 D208 E229 M230	T113-P115 VanDerWaalsContact O-CD 3.31Å; T113-P115 WeakPolarHBondContact O-CD 3.37Å; T113-D208 HydrophobicContact CG2-CB 4.27Å; T113-E229 WeakPolarHBondContact CB-OE2 3.4Å; T113-E229 HydrophobicContact CG2-CB 4.01Å; T113-E229 PolarHBondContact OG1-OE2 3.02Å; T113-M230 CarbonylContact C-O 3.55Å; T113-M230 VanDerWaalsContact CA-O 3.24Å; T113-M230 WeakPolarHBondContact CA-O 3.32Å; T113-M230 WeakPolarHBondContact CB-O 3.43Å
114	I	67.1	Low	59.8	Low	19 Å²	19	73 Å²	73	10%	0.097	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	113.5	173.3	-63.8	159.2	0	0	0	107.7	Y109 L116 M230 P232 L284	Y109-I114 HydrophobicContact CE1-CD1 4.33Å; I114-L116 PolarHBondContact O-N 2.95Å; I114-M230 HydrophobicContact CB-CB 4.38Å; I114-M230 HydrophobicContact CB-CE 3.97Å; I114-M230 HydrophobicContact CG2-CE 3.49Å; I114-M230 VanDerWaalsContact CG2-CE 3.49Å; I114-M230 PolarHBondContact N-O 2.88Å; I114-M230 WeakPolarHBondContact O-CB 3.31Å; I114-M230 PolarHBondContact O-N 2.82Å; I114-P232 HydrophobicContact CD1-CB 3.85Å; I114-P232 HydrophobicContact CD1-CG 4.27Å; I114-L284 HydrophobicContact CB-CD1 4.27Å; I114-L284 HydrophobicContact CD1-CD1 3.9Å; I114-L284 HydrophobicContact CG1-CD1 3.89Å; I114-L284 HydrophobicContact CG2-CD1 3.35Å
115	P	74.3	Confident	61.6	Low	31 Å²	31	71.5 Å²	71.5	20%	0.201	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	122.9	176.2	29.1	-32.7	0	0	0	110.7	T113 Q227 I228 Q280	T113-P115 VanDerWaalsContact O-CD 3.31Å; T113-P115 WeakPolarHBondContact O-CD 3.37Å; P115-Q227 HydrophobicContact CB-CG 3.85Å; P115-I228 CarbonylContact C-O 3.31Å; P115-I228 WeakPolarHBondContact CA-O 3.45Å; P115-Q280 PolarHBondContact O-OE1 3.49Å
116	L	76.5	Confident	63.5	Low	9 Å²	9	67.6 Å²	67.6	5%	0.047	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	116.3	162.2	178.4	64.6	0	0	0	108.4	I114 Q227 I228 M230 L276 L278	I114-L116 PolarHBondContact O-N 2.95Å; L116-Q227 WeakPolarHBondContact O-CA 3.18Å; L116-I228 HydrophobicContact CB-CB 4.44Å; L116-I228 HydrophobicContact CB-CD1 4.49Å; L116-I228 HydrophobicContact CD2-CD1 4.29Å; L116-I228 HydrophobicContact CG-CD1 4.42Å; L116-I228 PolarHBondContact N-O 3.46Å; L116-I228 PolarHBondContact O-N 2.02Å; L116-M230 HydrophobicContact CB-CE 3.82Å; L116-M230 HydrophobicContact CB-SD 4.01Å; L116-M230 HydrophobicContact CD2-SD 4.35Å; L116-L276 HydrophobicContact CD2-CD2 4.5Å; L116-L278 HydrophobicContact CD1-CD2 4.39Å
117	K	79.4	Confident	64.9	Low	82 Å²	82	65.5 Å²	65.5	36%	0.357	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	155.4	178.1	-70.8	179.7	174.8	-172.8	0	111.9	F226 Q227 E277	K117-F226 WeakPolarHBondContact CA-O 3.26Å; K117-Q227 HydrophobicContact CG-CB 4.31Å; K117-Q227 HydrophobicContact CG-CG 4.21Å; K117-E277 HydrophobicContact CB-CB 4.07Å; K117-E277 HydrophobicContact CB-CG 4.19Å; K117-E277 VanDerWaalsContact CB-OE2 3.31Å; K117-E277 WeakPolarHBondContact CB-OE2 3.12Å; K117-E277 VanDerWaalsContact CD-OE2 3.25Å; K117-E277 WeakPolarHBondContact CD-OE2 3.03Å; K117-E277 PolarHBondContact O-N 3.23Å
118	G	78.4	Confident	66	Low	4 Å²	4	65.1 Å²	65.1	4%	0.041	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-171.5	174.7	171.5	0	0	0	0	0	112.9	D225 F226 V275	G118-D225 CarbonylContact O-C 3.58Å; G118-D225 WeakPolarHBondContact O-CA 3.29Å; G118-F226 PolarHBondContact N-O 3.11Å; G118-F226 WeakPolarHBondContact O-CD1 3.45Å; G118-F226 PolarHBondContact O-N 3.32Å; G118-V275 CarbonylContact C-O 3.31Å; G118-V275 WeakPolarHBondContact CA-O 2.99Å
119	S	78.3	Confident	66.8	Low	36 Å²	36	63.3 Å²	63.3	25%	0.252	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	144.4	176.9	-53.4	0	0	0	0	109.8	D225 I274 V275	S119-D225 WeakPolarHBondContact CB-OD1 3.32Å; S119-D225 PolarHBondContact OG-OD1 3.14Å; S119-I274 WeakPolarHBondContact O-CA 2.96Å; S119-V275 PolarHBondContact N-O 3.03Å; S119-V275 PolarHBondContact O-N 3.12Å
120	L	80.7	Confident	67.2	Low	1 Å²	1	69 Å²	69	1%	0.005	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	129	177.1	-167.6	140.9	0	0	0	110.9	N223 F224 F226 L256 V272 V273 I274	L120-N223 VanDerWaalsContact O-CA 3.27Å; L120-N223 WeakPolarHBondContact O-CA 3.29Å; L120-F224 HydrophobicContact CB-CD2 4.42Å; L120-F224 HydrophobicContact CB-CE1 4.01Å; L120-F224 HydrophobicContact CB-CE2 3.87Å; L120-F224 HydrophobicContact CB-CZ 3.65Å; L120-F224 HydrophobicContact CD1-CZ 4.06Å; L120-F224 HydrophobicContact CD2-CE1 3.7Å; L120-F224 HydrophobicContact CD2-CZ 3.88Å; L120-F224 HydrophobicContact CG-CE1 4.32Å; L120-F224 HydrophobicContact CG-CZ 4.06Å; L120-F224 PolarHBondContact N-O 2.04Å; L120-F224 PolarHBondContact O-N 3.3Å; L120-F226 HydrophobicContact CB-CD1 4.35Å; L120-F226 HydrophobicContact CB-CE1 4.16Å; L120-L256 HydrophobicContact CD1-CD2 3.24Å; L120-L256 HydrophobicContact CD2-CD2 4.16Å; L120-L256 HydrophobicContact CG-CD2 4.35Å; L120-V272 HydrophobicContact CD1-CG1 4.08Å; L120-V272 HydrophobicContact CD2-CG1 4.39Å; L120-V272 HydrophobicContact CG-CG1 4.28Å; L120-V273 WeakPolarHBondContact CA-O 3.46Å; L120-I274 HydrophobicContact CD1-CD1 4.16Å; L120-I274 HydrophobicContact CD1-CG1 3.92Å; L120-I274 HydrophobicContact CG-CG1 4.38Å
121	I	76	Confident	67.4	Low	46 Å²	46	70 Å²	70	24%	0.236	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	130.3	175.1	-58.4	169.1	0	0	0	108	N223 V272 V273	I121-N223 HydrophobicContact CG1-CB 4.39Å; I121-V272 CarbonylContact O-C 3.04Å; I121-V272 WeakPolarHBondContact O-CA 3.25Å; I121-V273 HydrophobicContact CB-CB 4.45Å; I121-V273 PolarHBondContact N-O 2.8Å; I121-V273 PolarHBondContact O-N 3.45Å
122	S	76.1	Confident	67	Low	1 Å²	1	68.2 Å²	68.2	1%	0.007	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	146.4	176.6	-171.2	0	0	0	0	111.7	F221 M222 L269 E270 V272	S122-F221 WeakPolarHBondContact O-CA 3.05Å; S122-M222 PolarHBondContact N-O 3.25Å; S122-M222 PolarHBondContact O-N 2.91Å; S122-L269 WeakPolarHBondContact OG-CB 3.3Å; S122-L269 WeakPolarHBondContact OG-CD2 3Å; S122-E270 PolarHBondContact OG-O 3.31Å; S122-E270 VanDerWaalsContact OG-O 3.08Å; S122-V272 WeakPolarHBondContact OG-CG2 3.49Å
123	Q	78.6	Confident	66.2	Low	33 Å²	33	69.3 Å²	69.3	15%	0.154	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	140.3	162.4	-167.8	173.6	-10.5	0	0	109.3	Q220 F221 E270	Q123-Q220 CarbonylContact C-O 3.27Å; Q123-Q220 WeakPolarHBondContact CA-O 3.06Å; Q123-Q220 WeakPolarHBondContact CG-O 3.4Å; Q123-F221 HydrophobicContact CB-CD1 4.16Å; Q123-F221 HydrophobicContact CB-CE1 3.97Å; Q123-F221 HydrophobicContact CG-CD1 4.36Å; Q123-F221 HydrophobicContact CG-CE1 3.99Å; Q123-F221 HydrophobicContact CG-CZ 4.46Å; Q123-E270 HydrophobicContact CB-CB 4.45Å; Q123-E270 WeakPolarHBondContact CB-O 3.4Å; Q123-E270 PolarHBondContact N-O 3.42Å; Q123-E270 PolarHBondContact O-N 2.81Å
124	L	79.3	Confident	65.5	Low	10 Å²	10	74.9 Å²	74.9	5%	0.052	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	133.9	170.2	-67.9	164.6	0	0	0	109	F137 L217 Q220 F260 L269	L124-F137 HydrophobicContact CD1-CB 4.43Å; L124-F137 HydrophobicContact CD1-CD1 3.91Å; L124-F137 HydrophobicContact CD1-CE1 4.44Å; L124-F137 HydrophobicContact CD1-CG 4.21Å; L124-L217 HydrophobicContact CD1-CD1 3.86Å; L124-Q220 PolarHBondContact N-O 2.68Å; L124-F260 HydrophobicContact CD2-CE1 4.16Å; L124-F260 HydrophobicContact CD2-CE2 4.46Å; L124-F260 HydrophobicContact CD2-CZ 3.62Å; L124-L269 HydrophobicContact CD2-CD2 3.89Å
125	R	75.5	Confident	64.9	Low	115 Å²	115	76.1 Å²	76.1	43%	0.434	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	149.3	170.1	-89.5	-145.9	-179.9	148.6	-10.9	111.9	F267 T268 E270	R125-F267 CarbonylContact O-C 3.59Å; R125-F267 VanDerWaalsContact O-CA 3.27Å; R125-F267 WeakPolarHBondContact O-CA 3.31Å; R125-T268 PolarHBondContact N-O 3.29Å; R125-T268 PolarHBondContact O-N 2.81Å; R125-E270 VanDerWaalsContact CD-CD 3.48Å; R125-E270 WeakPolarHBondContact CD-OE1 3.03Å; R125-E270 WeakPolarHBondContact CD-OE2 3.14Å; R125-E270 HydrophobicContact CG-CG 4.38Å; R125-E270 IonicContact CZ-OE1 3.64Å; R125-E270 IonicContact CZ-OE2 2.64Å; R125-E270 IonicContact NE-OE1 3.02Å; R125-E270 IonicContact NE-OE2 2.77Å; R125-E270 PolarHBondContact NE-OE2 3.27Å; R125-E270 IonicContact NH1-OE1 3.01Å; R125-E270 PolarHBondContact NH1-OE1 2.92Å; R125-E270 IonicContact NH1-OE2 3.42Å; R125-E270 PolarHBondContact NH1-OE2 3.35Å; R125-E270 IonicContact NH2-OE2 3.02Å
126	H	71.7	Confident	64.8	Low	69 Å²	69	76.3 Å²	76.3	32%	0.319	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	138.1	164.8	-171.4	-101.4	0	0	0	109	D128 P266 F267	H126-D128 VanDerWaalsContact C-N 3.31Å; H126-D128 PolarHBondContact ND1-N 2.66Å; H126-D128 PolarHBondContact ND1-O 2.9Å; H126-D128 PolarHBondContact O-N 2.88Å; H126-P266 VanDerWaalsContact NE2-CG 3.29Å; H126-P266 WeakPolarHBondContact NE2-CG 3.31Å; H126-F267 HydrophobicContact CB-CE1 4.36Å
127	F	60.1	Low	64.9	Low	142 Å²	142	76 Å²	76	62%	0.623	39%	0.393	S	S	*	.	S	Bend	trans	-67.7	-28.6	-174.8	-175.2	-101.5	0	0	0	113.8	P266	F127-P266 HydrophobicContact CB-CB 4.47Å; F127-P266 WeakPolarHBondContact CB-O 3.4Å; F127-P266 PolarHBondContact N-O 2.86Å
128	D	57.2	Low	64.8	Low	69 Å²	69	74.3 Å²	74.3	37%	0.369	39%	0.388	S	S	.	.			trans	-111	100.4	-176.9	-164	14.2	0	0	0	111.2	H126 R130 T131	H126-D128 VanDerWaalsContact C-N 3.31Å; H126-D128 PolarHBondContact ND1-N 2.66Å; H126-D128 PolarHBondContact ND1-O 2.9Å; H126-D128 PolarHBondContact O-N 2.88Å; D128-R130 PolarHBondContact O-N 2.95Å; D128-T131 PolarHBondContact OD2-OG1 2.82Å
129	D	51.6	Low	64.8	Low	155 Å²	155	78 Å²	78	83%	0.829	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	12.5	-178.8	-147.8	15.4	0	0	0	112.1
130	R	46.1	Very low	65	Low	229 Å²	229	78.1 Å²	78.1	86%	0.864	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.3	-5.4	-169.6	-64.6	-173	-179.6	-170.9	1.7	115.4	D128	D128-R130 PolarHBondContact O-N 2.95Å
131	T	43	Very low	65.1	Low	87 Å²	87	78.1 Å²	78.1	53%	0.534	40%	0.4	S	S	.	.	S	Bend	trans	-125.4	127	178.2	56.2	0	0	0	0	112	D128 M133	D128-T131 PolarHBondContact OD2-OG1 2.82Å; T131-M133 VanDerWaalsContact C-N 3.28Å; T131-M133 PolarHBondContact O-N 3.03Å
132	A	36.3	Very low	65.3	Low	103 Å²	103	79.4 Å²	79.4	85%	0.851	40%	0.404	S	S	*	.			trans	-80.4	64.6	-170.4	0	0	0	0	0	113.3
133	M	40.3	Very low	65.5	Low	162 Å²	162	83 Å²	83	80%	0.798	42%	0.423	S	S	*	.			trans	-110.6	97	161.7	-73.2	-162.6	172.8	0	0	109.5	T131 A135	T131-M133 VanDerWaalsContact C-N 3.28Å; T131-M133 PolarHBondContact O-N 3.03Å; M133-A135 PolarHBondContact O-N 2.98Å
134	N	48.5	Very low	65.7	Low	170 Å²	170	84.6 Å²	84.6	91%	0.909	43%	0.428	S	S	*	.			trans	-70.1	61.7	175.4	-66.2	-4.2	0	0	0	111.5	S136	N134-S136 PolarHBondContact O-N 3.11Å
135	A	55.7	Low	65.9	Low	45 Å²	45	84.1 Å²	84.1	37%	0.372	43%	0.425	S	S	.	.			trans	-82.6	105.5	168.4	0	0	0	0	0	108.3	M133	M133-A135 PolarHBondContact O-N 2.98Å
136	S	71.1	Confident	66.2	Low	35 Å²	35	83.9 Å²	83.9	25%	0.245	43%	0.429	C	S	.	.			trans	-64.5	149	171.3	68.2	0	0	0	0	109.7	N134 L138 Q139 F140 E219	N134-S136 PolarHBondContact O-N 3.11Å; S136-L138 PolarHBondContact O-N 3.38Å; S136-L138 VanDerWaalsContact O-N 3.17Å; S136-Q139 WeakPolarHBondContact O-CA 3.23Å; S136-Q139 WeakPolarHBondContact O-CB 3.12Å; S136-Q139 PolarHBondContact O-N 3.23Å; S136-Q139 PolarHBondContact OG-N 3.5Å; S136-F140 PolarHBondContact O-N 3.11Å; S136-E219 WeakPolarHBondContact CB-OE1 3.19Å
137	F	78.1	Confident	66.5	Low	2 Å²	2	87.8 Å²	87.8	1%	0.009	45%	0.446	C	S	.	.	H	α-helix	trans	-54.6	-36.5	177.4	-178.6	-109.4	0	0	0	111.8	L124 Q139 F140 L141 M184 L217 F260 F264 F267	L124-F137 HydrophobicContact CD1-CB 4.43Å; L124-F137 HydrophobicContact CD1-CD1 3.91Å; L124-F137 HydrophobicContact CD1-CE1 4.44Å; L124-F137 HydrophobicContact CD1-CG 4.21Å; F137-Q139 VanDerWaalsContact C-N 3.34Å; F137-Q139 PolarHBondContact O-N 2.81Å; F137-F140 PolarHBondContact O-N 3.46Å; F137-L141 HydrophobicContact CD1-CD1 4.17Å; F137-L141 HydrophobicContact CE1-CD1 3.73Å; F137-L141 HydrophobicContact CE1-CG 4.3Å; F137-L141 HydrophobicContact CZ-CD1 4.16Å; F137-L141 HydrophobicContact CZ-CD2 4.31Å; F137-L141 HydrophobicContact CZ-CG 4.35Å; F137-L141 WeakPolarHBondContact O-CG 3.39Å; F137-L141 PolarHBondContact O-N 2.93Å; F137-L141 VanDerWaalsContact O-N 3.11Å; F137-M184 HydrophobicContact CE1-CE 4.13Å; F137-M184 HydrophobicContact CE1-CG 4.5Å; F137-M184 HydrophobicContact CE1-SD 4.1Å; F137-M184 HydrophobicContact CZ-CE 3.94Å; F137-M184 HydrophobicContact CZ-SD 3.92Å; F137-L217 HydrophobicContact CD1-CD1 4.01Å; F137-L217 HydrophobicContact CD1-CD2 4.13Å; F137-L217 HydrophobicContact CD1-CG 4.41Å; F137-L217 HydrophobicContact CE1-CD1 3.9Å; F137-L217 HydrophobicContact CE1-CD2 3.99Å; F137-L217 HydrophobicContact CE1-CG 4.49Å; F137-F260 AromaticContact CE2-CZ 3.99Å; F137-F260 HydrophobicContact CE2-CZ 3.99Å; F137-F260 HydrophobicContact CZ-CE2 4.49Å; F137-F260 AromaticContact CZ-CZ 3.88Å; F137-F260 HydrophobicContact CZ-CZ 3.88Å; F137-F264 HydrophobicContact CE2-CB 4.32Å; F137-F264 AromaticContact CE2-CD1 3.98Å; F137-F264 HydrophobicContact CE2-CD1 3.98Å; F137-F264 HydrophobicContact CE2-CG 4.28Å; F137-F264 HydrophobicContact CZ-CD1 4.02Å; F137-F264 HydrophobicContact CZ-CE1 4.24Å; F137-F264 HydrophobicContact CZ-CG 4.44Å; F137-F267 HydrophobicContact CB-CD1 4.37Å; F137-F267 HydrophobicContact CB-CE1 4.02Å; F137-F267 HydrophobicContact CB-CZ 4.27Å; F137-F267 HydrophobicContact CD2-CB 4.17Å; F137-F267 AromaticContact CD2-CD1 3.89Å; F137-F267 HydrophobicContact CD2-CD1 3.89Å; F137-F267 AromaticContact CD2-CD2 3.78Å; F137-F267 HydrophobicContact CD2-CD2 3.78Å; F137-F267 HydrophobicContact CD2-CE1 4.2Å; F137-F267 HydrophobicContact CD2-CE2 4.11Å; F137-F267 AromaticContact CD2-CG 3.67Å; F137-F267 HydrophobicContact CD2-CG 3.67Å; F137-F267 HydrophobicContact CD2-CZ 4.3Å; F137-F267 HydrophobicContact CE2-CB 4.28Å; F137-F267 HydrophobicContact CE2-CD2 4.31Å; F137-F267 HydrophobicContact CE2-CG 4.22Å
138	L	78.4	Confident	67.3	Low	47 Å²	47	81.6 Å²	81.6	25%	0.246	42%	0.42	C	S	.	.	H	α-helix	trans	-63.1	-35.9	174.4	-59.4	175.8	0	0	0	113	S136 K142 P180 L217 E219	S136-L138 PolarHBondContact O-N 3.38Å; S136-L138 VanDerWaalsContact O-N 3.17Å; L138-K142 WeakPolarHBondContact O-CG 3.34Å; L138-K142 PolarHBondContact O-N 2.78Å; L138-P180 HydrophobicContact CD2-CB 3.63Å; L138-P180 HydrophobicContact CD2-CG 3.97Å; L138-L217 HydrophobicContact CD2-CD2 3.64Å; L138-L217 HydrophobicContact CD2-CG 4.06Å; L138-E219 HydrophobicContact CD1-CG 4.5Å
139	Q	78	Confident	68.1	Low	81 Å²	81	81.5 Å²	81.5	38%	0.379	42%	0.416	S	S	.	.	H	α-helix	trans	-73.7	-41.9	175.4	-170.9	60.1	38.5	0	0	111.3	S136 F137 L141 K142 D143	S136-Q139 WeakPolarHBondContact O-CA 3.23Å; S136-Q139 WeakPolarHBondContact O-CB 3.12Å; S136-Q139 PolarHBondContact O-N 3.23Å; S136-Q139 PolarHBondContact OG-N 3.5Å; F137-Q139 VanDerWaalsContact C-N 3.34Å; F137-Q139 PolarHBondContact O-N 2.81Å; Q139-L141 VanDerWaalsContact C-N 3.28Å; Q139-L141 PolarHBondContact O-N 2.75Å; Q139-K142 WeakPolarHBondContact O-CB 3.42Å; Q139-K142 PolarHBondContact O-N 3.36Å; Q139-D143 PolarHBondContact NE2-OD1 3.36Å; Q139-D143 VanDerWaalsContact O-CG 3.29Å; Q139-D143 PolarHBondContact O-N 2.73Å
140	F	83	Confident	69	Low	38 Å²	38	77.2 Å²	77.2	17%	0.167	40%	0.398	C	S	.	.	H	α-helix	trans	-54.6	-42	174.6	170.3	-95.1	0	0	0	112.5	S136 F137 D143 R144 F264 D265 F267	S136-F140 PolarHBondContact O-N 3.11Å; F137-F140 PolarHBondContact O-N 3.46Å; F140-D143 PolarHBondContact O-N 3.4Å; F140-R144 VanDerWaalsContact O-CB 3.3Å; F140-R144 WeakPolarHBondContact O-CB 3.23Å; F140-R144 PolarHBondContact O-N 3.44Å; F140-F264 HydrophobicContact CE1-CD1 4.23Å; F140-D265 WeakPolarHBondContact CZ-O 3.45Å; F140-F267 HydrophobicContact CB-CE2 3.77Å; F140-F267 HydrophobicContact CB-CZ 4.33Å; F140-F267 HydrophobicContact CD1-CD2 4.19Å; F140-F267 HydrophobicContact CD1-CE2 4.05Å; F140-F267 HydrophobicContact CD2-CD2 4.49Å; F140-F267 AromaticContact CD2-CE2 3.95Å; F140-F267 HydrophobicContact CD2-CE2 3.95Å; F140-F267 HydrophobicContact CE1-CD2 4.4Å; F140-F267 HydrophobicContact CG-CD2 4.23Å; F140-F267 AromaticContact CG-CE2 3.67Å; F140-F267 HydrophobicContact CG-CE2 3.67Å
141	L	82.5	Confident	69.8	Low	1 Å²	1	67.3 Å²	67.3	1%	0.005	37%	0.365	C	S	.	.	H	α-helix	trans	-64.1	-38.2	175.6	-68.4	178.1	0	0	0	112.9	F137 Q139 C145 P180 Y183 M184 L217 F264	F137-L141 HydrophobicContact CD1-CD1 4.17Å; F137-L141 HydrophobicContact CE1-CD1 3.73Å; F137-L141 HydrophobicContact CE1-CG 4.3Å; F137-L141 HydrophobicContact CZ-CD1 4.16Å; F137-L141 HydrophobicContact CZ-CD2 4.31Å; F137-L141 HydrophobicContact CZ-CG 4.35Å; F137-L141 WeakPolarHBondContact O-CG 3.39Å; F137-L141 PolarHBondContact O-N 2.93Å; F137-L141 VanDerWaalsContact O-N 3.11Å; Q139-L141 VanDerWaalsContact C-N 3.28Å; Q139-L141 PolarHBondContact O-N 2.75Å; L141-C145 WeakPolarHBondContact O-CB 3.37Å; L141-C145 PolarHBondContact O-N 2.92Å; L141-C145 VanDerWaalsContact O-N 3.13Å; L141-P180 HydrophobicContact CD1-CB 3.97Å; L141-Y183 HydrophobicContact CD2-CD1 3.96Å; L141-Y183 HydrophobicContact CD2-CE1 3.9Å; L141-M184 HydrophobicContact CD1-CG 3.92Å; L141-M184 HydrophobicContact CD1-SD 4.14Å; L141-M184 HydrophobicContact CD2-SD 4.31Å; L141-L217 HydrophobicContact CD1-CD2 4.33Å; L141-F264 HydrophobicContact CD2-CD1 4.27Å; L141-F264 HydrophobicContact CD2-CE1 3.88Å
142	K	80.4	Confident	70.6	Confident	74 Å²	74	68.6 Å²	68.6	32%	0.322	37%	0.368	S	S	.	.	H	α-helix	trans	-66.9	-49.9	175.6	-70.9	176	178.6	-177.8	0	111.3	L138 Q139 R144 C145 E146 L179	L138-K142 WeakPolarHBondContact O-CG 3.34Å; L138-K142 PolarHBondContact O-N 2.78Å; Q139-K142 WeakPolarHBondContact O-CB 3.42Å; Q139-K142 PolarHBondContact O-N 3.36Å; K142-R144 VanDerWaalsContact C-N 3.3Å; K142-R144 PolarHBondContact O-N 3.27Å; K142-C145 WeakPolarHBondContact O-CB 3.19Å; K142-C145 PolarHBondContact O-N 2.79Å; K142-E146 PolarHBondContact O-N 3.23Å; K142-L179 HydrophobicContact CG-CD2 4.06Å
143	D	80.4	Confident	71.5	Confident	77 Å²	77	70.1 Å²	70.1	41%	0.412	36%	0.362	S	S	.	.	H	α-helix	trans	-59	-41.5	179.8	-63.1	-11.9	0	0	0	111.1	Q139 F140 C145 E146 F147	Q139-D143 PolarHBondContact NE2-OD1 3.36Å; Q139-D143 VanDerWaalsContact O-CG 3.29Å; Q139-D143 PolarHBondContact O-N 2.73Å; F140-D143 PolarHBondContact O-N 3.4Å; D143-C145 PolarHBondContact O-N 3Å; D143-E146 PolarHBondContact O-N 2.84Å; D143-F147 VanDerWaalsContact O-CB 3.31Å; D143-F147 WeakPolarHBondContact O-CB 3.21Å; D143-F147 PolarHBondContact O-N 2.76Å
144	R	81.8	Confident	72.1	Confident	65 Å²	65	68.5 Å²	68.5	25%	0.245	36%	0.357	C	S	.	.	H	α-helix	trans	-65.9	-35.3	175.8	-173.4	166.8	174.1	154.6	-13.2	112.9	F140 K142 S148 D166 I169 T263	F140-R144 VanDerWaalsContact O-CB 3.3Å; F140-R144 WeakPolarHBondContact O-CB 3.23Å; F140-R144 PolarHBondContact O-N 3.44Å; K142-R144 VanDerWaalsContact C-N 3.3Å; K142-R144 PolarHBondContact O-N 3.27Å; R144-S148 VanDerWaalsContact O-CB 3.32Å; R144-S148 WeakPolarHBondContact O-CB 3.13Å; R144-S148 PolarHBondContact O-N 2.7Å; R144-S148 VanDerWaalsContact O-N 3.1Å; R144-S148 PolarHBondContact O-OG 2.96Å; R144-D166 IonicContact CZ-OD2 2.66Å; R144-D166 IonicContact NE-OD2 2.72Å; R144-D166 IonicContact NH2-OD2 3.65Å; R144-D166 PolarHBondContact NH2-OD2 3.24Å; R144-I169 HydrophobicContact CB-CD1 4.34Å; R144-I169 HydrophobicContact CG-CD1 4.25Å; R144-T263 PolarHBondContact NH1-O 2.94Å; R144-T263 PolarHBondContact NH2-O 3.03Å; R144-T263 VanDerWaalsContact NH2-O 3.11Å
145	C	84.4	Confident	72	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-66.2	-48.5	174	-170.5	0	0	0	0	111.5	L141 K142 D143 S148 K149 I169 C174 L179	L141-C145 WeakPolarHBondContact O-CB 3.37Å; L141-C145 PolarHBondContact O-N 2.92Å; L141-C145 VanDerWaalsContact O-N 3.13Å; K142-C145 WeakPolarHBondContact O-CB 3.19Å; K142-C145 PolarHBondContact O-N 2.79Å; D143-C145 PolarHBondContact O-N 3Å; C145-S148 PolarHBondContact O-N 2.77Å; C145-K149 PolarHBondContact O-N 3.3Å; C145-K149 VanDerWaalsContact O-N 3.09Å; C145-I169 HydrophobicContact CB-CD1 3.99Å; C145-I169 HydrophobicContact CB-CG1 4.03Å; C145-C174 HydrophobicContact CB-CB 3.8Å; C145-C174 WeakPolarHBondContact CB-SG 3.46Å; C145-C174 PolarHBondContact O-SG 3.06Å; C145-C174 WeakPolarHBondContact SG-CA 3.01Å; C145-C174 WeakPolarHBondContact SG-CB 3.1Å; C145-C174 CovalentContact SG-SG 2.04Å; C145-C174 PolarHBondContact SG-SG 2.87Å; C145-L179 HydrophobicContact CB-CD2 4.04Å
146	E	81.2	Confident	71	Confident	111 Å²	111	71.5 Å²	71.5	52%	0.519	37%	0.367	S	S	.	.	H	α-helix	trans	-62.4	-45.3	177.3	-69.4	-168	176	0	0	112.1	K142 D143 S148 K149 S150 C174	K142-E146 PolarHBondContact O-N 3.23Å; D143-E146 PolarHBondContact O-N 2.84Å; E146-S148 VanDerWaalsContact C-N 3.31Å; E146-S148 PolarHBondContact O-N 3.25Å; E146-K149 PolarHBondContact O-N 2.99Å; E146-S150 WeakPolarHBondContact O-CB 3.25Å; E146-S150 PolarHBondContact O-N 2.91Å; E146-C174 HydrophobicContact CG-CB 4.3Å
147	F	79.2	Confident	69.2	Low	151 Å²	151	76.3 Å²	76.3	66%	0.662	39%	0.394	S	S	*	.	H	α-helix	trans	-58.4	-43.6	177.1	-177.1	-96.9	0	0	0	111.8	D143 S150 A151	D143-F147 VanDerWaalsContact O-CB 3.31Å; D143-F147 WeakPolarHBondContact O-CB 3.21Å; D143-F147 PolarHBondContact O-N 2.76Å; F147-S150 WeakPolarHBondContact O-CB 3.45Å; F147-S150 PolarHBondContact O-N 2.59Å; F147-A151 WeakPolarHBondContact O-CB 3.36Å; F147-A151 PolarHBondContact O-N 3.09Å
148	S	75.4	Confident	67.1	Low	11 Å²	11	81.2 Å²	81.2	8%	0.077	43%	0.429	C	S	.	.	H	α-helix	trans	-67.4	-37.7	-179.6	-62.6	0	0	0	0	112.3	R144 C145 E146 L152	R144-S148 VanDerWaalsContact O-CB 3.32Å; R144-S148 WeakPolarHBondContact O-CB 3.13Å; R144-S148 PolarHBondContact O-N 2.7Å; R144-S148 VanDerWaalsContact O-N 3.1Å; R144-S148 PolarHBondContact O-OG 2.96Å; C145-S148 PolarHBondContact O-N 2.77Å; E146-S148 VanDerWaalsContact C-N 3.31Å; E146-S148 PolarHBondContact O-N 3.25Å; S148-L152 PolarHBondContact O-N 3.36Å
149	K	74.6	Confident	64.9	Low	68 Å²	68	84.1 Å²	84.1	30%	0.296	45%	0.453	S	S	.	.	H	α-helix	trans	-68.7	-34.4	171.4	-71.9	-172.4	-177.2	166.4	0	112.9	C145 E146 N153 T170 F172 C174	C145-K149 PolarHBondContact O-N 3.3Å; C145-K149 VanDerWaalsContact O-N 3.09Å; E146-K149 PolarHBondContact O-N 2.99Å; K149-N153 PolarHBondContact O-ND2 2.72Å; K149-T170 HydrophobicContact CG-CG2 4.33Å; K149-F172 WeakPolarHBondContact CE-O 3.31Å; K149-F172 PolarHBondContact NZ-O 2.93Å; K149-C174 VanDerWaalsContact CD-SG 3.54Å; K149-C174 WeakPolarHBondContact CE-SG 3Å; K149-C174 PolarHBondContact NZ-SG 2.78Å
150	S	69.8	Low	62.7	Low	65 Å²	65	87.4 Å²	87.4	46%	0.455	47%	0.473	S	S	.	.	H	α-helix	trans	-68.1	-41.1	175.5	-171.9	0	0	0	0	112.5	E146 F147 N153	E146-S150 WeakPolarHBondContact O-CB 3.25Å; E146-S150 PolarHBondContact O-N 2.91Å; F147-S150 WeakPolarHBondContact O-CB 3.45Å; F147-S150 PolarHBondContact O-N 2.59Å; S150-N153 PolarHBondContact O-N 3.34Å
151	A	64.5	Low	60.4	Low	20 Å²	20	95 Å²	95	17%	0.165	51%	0.509	C	S	.	.	H	α-helix	trans	-63.3	-41	176.8	0	0	0	0	0	112.4	F147 N153 N154 Q155	F147-A151 WeakPolarHBondContact O-CB 3.36Å; F147-A151 PolarHBondContact O-N 3.09Å; A151-N153 PolarHBondContact O-N 3.45Å; A151-N154 PolarHBondContact O-N 3.03Å; A151-N154 VanDerWaalsContact O-N 3.1Å; A151-Q155 PolarHBondContact O-N 2.69Å
152	L	59.7	Low	58.1	Low	114 Å²	114	101 Å²	101	60%	0.597	55%	0.551	S	S	*	*	H	α-helix	trans	-60.2	-30.1	178.9	-151.1	82.3	0	0	0	113	S148	S148-L152 PolarHBondContact O-N 3.36Å
153	N	55.7	Low	55.9	Low	136 Å²	136	101.5 Å²	101.5	73%	0.727	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.5	-8.4	179.4	-74	-32.6	0	0	0	114.3	K149 S150 A151	K149-N153 PolarHBondContact O-ND2 2.72Å; S150-N153 PolarHBondContact O-N 3.34Å; A151-N153 PolarHBondContact O-N 3.45Å
154	N	51.1	Low	53.9	Low	128 Å²	128	105.7 Å²	105.7	68%	0.684	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.2	-0.8	-165.8	-87	-40.9	0	0	0	116.4	A151	A151-N154 PolarHBondContact O-N 3.03Å; A151-N154 VanDerWaalsContact O-N 3.1Å
155	Q	48.2	Very low	52	Low	150 Å²	150	104.7 Å²	104.7	70%	0.701	59%	0.591	S	S	*	*			trans	-113.2	89.3	-174.2	-71.3	-166	-6.3	0	0	115.4	A151	A151-Q155 PolarHBondContact O-N 2.69Å
156	T	34.6	Very low	50.9	Low	128 Å²	128	106.2 Å²	106.2	79%	0.785	60%	0.599	S	S	*	*			trans	-72.5	120.3	140.6	47.4	0	0	0	0	110
157	T	31.7	Very low	50	Low	135 Å²	135	105.6 Å²	105.6	83%	0.828	60%	0.599	S	S	*	*			trans	48.7	96.5	152.9	59.7	0	0	0	0	118.6
158	S	33.7	Very low	49.7	Very low	106 Å²	106	100.1 Å²	100.1	74%	0.741	58%	0.577	S	S	*	*			trans	-162.5	118.7	143.3	-172.6	0	0	0	0	111.7
159	S	32.8	Very low	49.7	Very low	108 Å²	108	99.7 Å²	99.7	76%	0.755	57%	0.573	S	S	*	*			trans	-74.7	122.2	170.4	51.4	0	0	0	0	111
160	N	32.7	Very low	49.6	Very low	149 Å²	149	97.9 Å²	97.9	80%	0.797	57%	0.568	S	S	*	*			trans	-162.4	148.9	151.1	-97.6	-30.5	0	0	0	111.4	S162	N160-S162 PolarHBondContact O-N 2.93Å
161	H	33.2	Very low	50	Low	197 Å²	197	101.6 Å²	101.6	91%	0.912	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.3	128.5	-175.4	-79.6	-116.1	0	0	0	112.8
162	S	35.6	Very low	50.9	Low	128 Å²	128	102.7 Å²	102.7	90%	0.895	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	145.8	-32.9	157.8	-176.1	0	0	0	0	110.9	N160	N160-S162 PolarHBondContact O-N 2.93Å
163	A	32.6	Very low	52	Low	85 Å²	85	101.7 Å²	101.7	70%	0.702	58%	0.575	S	S	*	*			trans	-109.4	82	-173.5	0	0	0	0	0	113.1
164	I	38.9	Very low	53.2	Low	165 Å²	165	95.6 Å²	95.6	85%	0.846	54%	0.543	S	S	*	.			trans	-95.4	111.3	151	-63.1	179.5	0	0	0	105.9	D166	I164-D166 PolarHBondContact O-N 2.99Å
165	V	43.2	Very low	54.5	Low	44 Å²	44	95.7 Å²	95.7	27%	0.267	54%	0.543	S	S	.	.			trans	-53.5	134.1	177.9	-179.5	0	0	0	0	109.4	N167 T170	V165-N167 PolarHBondContact O-N 2.75Å; V165-T170 HydrophobicContact CG1-CG2 4.38Å
166	D	59.6	Low	56	Low	31 Å²	31	90.2 Å²	90.2	17%	0.166	52%	0.521	C	S	.	.			trans	-63.4	81.8	162.3	-99.4	-55.2	0	0	0	107.8	R144 I164 L168 I169 Y183 K187	R144-D166 IonicContact CZ-OD2 2.66Å; R144-D166 IonicContact NE-OD2 2.72Å; R144-D166 IonicContact NH2-OD2 3.65Å; R144-D166 PolarHBondContact NH2-OD2 3.24Å; I164-D166 PolarHBondContact O-N 2.99Å; D166-L168 PolarHBondContact O-N 3.29Å; D166-I169 HydrophobicContact CB-CB 4.46Å; D166-I169 HydrophobicContact CB-CG2 4.25Å; D166-I169 WeakPolarHBondContact O-CG2 3.44Å; D166-I169 PolarHBondContact O-N 2.76Å; D166-Y183 PolarHBondContact OD2-OH 3.13Å; D166-K187 IonicContact OD1-NZ 3.26Å; D166-K187 PolarHBondContact OD1-NZ 2.75Å
167	N	63.9	Low	58	Low	99 Å²	99	93 Å²	93	53%	0.529	53%	0.526	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-7.5	176.8	-79.3	-25.4	0	0	0	112.7	V165 T170 Q171	V165-N167 PolarHBondContact O-N 2.75Å; N167-T170 PolarHBondContact O-OG1 3.35Å; N167-Q171 WeakPolarHBondContact O-CG 3.47Å; N167-Q171 PolarHBondContact O-NE2 3.06Å
168	L	72.5	Confident	60.3	Low	36 Å²	36	89.9 Å²	89.9	19%	0.188	51%	0.506	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-47.1	170.9	-163.5	73.1	0	0	0	112.1	D166 T170 Q171 F172 Y183 V186 K187	D166-L168 PolarHBondContact O-N 3.29Å; L168-T170 PolarHBondContact O-N 3.39Å; L168-Q171 WeakPolarHBondContact O-CB 3.04Å; L168-Q171 PolarHBondContact O-N 2.65Å; L168-Q171 VanDerWaalsContact O-N 3.1Å; L168-F172 HydrophobicContact CG-CE2 4.45Å; L168-F172 WeakPolarHBondContact O-CD2 3.27Å; L168-F172 WeakPolarHBondContact O-CE2 3.14Å; L168-Y183 HydrophobicContact CB-CE2 4.45Å; L168-Y183 HydrophobicContact CD2-CE2 4.23Å; L168-V186 HydrophobicContact CD1-CG1 4.05Å; L168-V186 HydrophobicContact CD2-CB 4.27Å; L168-V186 HydrophobicContact CD2-CG1 3.88Å; L168-V186 HydrophobicContact CG-CG1 4.43Å; L168-K187 HydrophobicContact CD2-CD 4.02Å
169	I	74.6	Confident	62.6	Low	1 Å²	1	85 Å²	85	1%	0.005	47%	0.472	C	S	.	.	G	3₁₀ helix	trans	-65.4	-30.3	-176.5	-154.1	170.4	0	0	0	111.7	R144 C145 D166 Q171 F172 Y183	R144-I169 HydrophobicContact CB-CD1 4.34Å; R144-I169 HydrophobicContact CG-CD1 4.25Å; C145-I169 HydrophobicContact CB-CD1 3.99Å; C145-I169 HydrophobicContact CB-CG1 4.03Å; D166-I169 HydrophobicContact CB-CB 4.46Å; D166-I169 HydrophobicContact CB-CG2 4.25Å; D166-I169 WeakPolarHBondContact O-CG2 3.44Å; D166-I169 PolarHBondContact O-N 2.76Å; I169-Q171 PolarHBondContact O-N 3.1Å; I169-F172 PolarHBondContact O-N 2.04Å; I169-Y183 HydrophobicContact CB-CD2 3.84Å; I169-Y183 HydrophobicContact CB-CE2 3.51Å; I169-Y183 HydrophobicContact CD1-CD1 4.05Å; I169-Y183 HydrophobicContact CD1-CD2 4.34Å; I169-Y183 HydrophobicContact CD1-CE1 3.85Å; I169-Y183 HydrophobicContact CD1-CE2 4.16Å; I169-Y183 HydrophobicContact CD1-CG 4.28Å; I169-Y183 HydrophobicContact CG1-CD1 4.23Å; I169-Y183 HydrophobicContact CG1-CD2 3.69Å; I169-Y183 HydrophobicContact CG1-CE1 4.27Å; I169-Y183 HydrophobicContact CG1-CE2 3.74Å; I169-Y183 HydrophobicContact CG1-CG 3.94Å
170	T	73.1	Confident	64.9	Low	30 Å²	30	80.4 Å²	80.4	18%	0.184	44%	0.439	C	S	.	.	G	3₁₀ helix	trans	-69	-14.1	177.9	51.3	0	0	0	0	114.3	K149 V165 N167 L168 F172	K149-T170 HydrophobicContact CG-CG2 4.33Å; V165-T170 HydrophobicContact CG1-CG2 4.38Å; N167-T170 PolarHBondContact O-OG1 3.35Å; L168-T170 PolarHBondContact O-N 3.39Å; T170-F172 VanDerWaalsContact C-N 3.34Å
171	Q	79.2	Confident	67.2	Low	144 Å²	144	78 Å²	78	67%	0.673	42%	0.422	S	S	*	.	G	3₁₀ helix	trans	-78.6	-18.4	178.3	-60.5	174.6	31.4	0	0	112.8	N167 L168 I169	N167-Q171 WeakPolarHBondContact O-CG 3.47Å; N167-Q171 PolarHBondContact O-NE2 3.06Å; L168-Q171 WeakPolarHBondContact O-CB 3.04Å; L168-Q171 PolarHBondContact O-N 2.65Å; L168-Q171 VanDerWaalsContact O-N 3.1Å; I169-Q171 PolarHBondContact O-N 3.1Å
172	F	81.7	Confident	69.6	Low	43 Å²	43	71.5 Å²	71.5	19%	0.189	39%	0.394	C	S	.	.	S	Bend	trans	-93.1	159	179.7	-59.1	-83.1	0	0	0	111.6	K149 L168 I169 T170 L179 D182 Y183 V186	K149-F172 WeakPolarHBondContact CE-O 3.31Å; K149-F172 PolarHBondContact NZ-O 2.93Å; L168-F172 HydrophobicContact CG-CE2 4.45Å; L168-F172 WeakPolarHBondContact O-CD2 3.27Å; L168-F172 WeakPolarHBondContact O-CE2 3.14Å; I169-F172 PolarHBondContact O-N 2.04Å; T170-F172 VanDerWaalsContact C-N 3.34Å; F172-L179 HydrophobicContact CB-CD1 3.41Å; F172-L179 VanDerWaalsContact CB-CD1 3.41Å; F172-L179 HydrophobicContact CG-CD1 4.22Å; F172-D182 HydrophobicContact CD1-CB 3.8Å; F172-D182 HydrophobicContact CE1-CB 3.57Å; F172-D182 HydrophobicContact CZ-CB 4.49Å; F172-Y183 HydrophobicContact CD2-CD2 4.21Å; F172-Y183 AromaticContact CE2-CD2 3.97Å; F172-Y183 HydrophobicContact CE2-CD2 3.97Å; F172-V186 HydrophobicContact CZ-CG2 4.15Å
173	D	83	Confident	71.9	Confident	92 Å²	92	65.4 Å²	65.4	49%	0.492	35%	0.351	S	S	.	.			trans	-77	122.2	168.6	-174.6	4.8	0	0	0	109.8	N175 S176	D173-N175 PolarHBondContact O-N 2.7Å; D173-N175 PolarHBondContact OD1-N 3.39Å; D173-N175 PolarHBondContact OD1-ND2 3.34Å; D173-S176 WeakPolarHBondContact O-CB 3.21Å; D173-S176 PolarHBondContact O-N 3.37Å; D173-S176 VanDerWaalsContact O-N 3.13Å
174	C	81.5	Confident	74.5	Confident	8 Å²	8	61.4 Å²	61.4	5%	0.054	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-18.3	-178	-56.2	0	0	0	0	112	C145 E146 K149	C145-C174 HydrophobicContact CB-CB 3.8Å; C145-C174 WeakPolarHBondContact CB-SG 3.46Å; C145-C174 PolarHBondContact O-SG 3.06Å; C145-C174 WeakPolarHBondContact SG-CA 3.01Å; C145-C174 WeakPolarHBondContact SG-CB 3.1Å; C145-C174 CovalentContact SG-SG 2.04Å; C145-C174 PolarHBondContact SG-SG 2.87Å; E146-C174 HydrophobicContact CG-CB 4.3Å; K149-C174 VanDerWaalsContact CD-SG 3.54Å; K149-C174 WeakPolarHBondContact CE-SG 3Å; K149-C174 PolarHBondContact NZ-SG 2.78Å
175	N	77.5	Confident	76.7	Confident	131 Å²	131	55.1 Å²	55.1	70%	0.701	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-3.8	176.7	-57	-67.4	0	0	0	113.1	D173	D173-N175 PolarHBondContact O-N 2.7Å; D173-N175 PolarHBondContact OD1-N 3.39Å; D173-N175 PolarHBondContact OD1-ND2 3.34Å
176	S	81	Confident	78.6	Confident	34 Å²	34	56.1 Å²	56.1	24%	0.238	29%	0.294	C	S	.	.			trans	-71.9	135.6	179.4	-172.2	0	0	0	0	111.4	D173 T178 L179	D173-S176 WeakPolarHBondContact O-CB 3.21Å; D173-S176 PolarHBondContact O-N 3.37Å; D173-S176 VanDerWaalsContact O-N 3.13Å; S176-T178 PolarHBondContact O-N 3.35Å; S176-T178 PolarHBondContact OG-N 3.41Å; S176-T178 PolarHBondContact OG-OG1 3.45Å; S176-L179 VanDerWaalsContact O-CB 3.31Å; S176-L179 WeakPolarHBondContact O-CB 3.46Å; S176-L179 PolarHBondContact O-N 2.04Å
177	E	75.5	Confident	79.9	Confident	188 Å²	188	55.5 Å²	55.5	88%	0.879	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-23.3	167	-64.7	-173.2	163.6	0	0	112	P180	E177-P180 WeakPolarHBondContact O-CD 3.47Å
178	T	80.4	Confident	80.8	Confident	69 Å²	69	50.8 Å²	50.8	42%	0.423	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-13.3	177	68.7	0	0	0	0	113.9	S176 P180 K181 D182	S176-T178 PolarHBondContact O-N 3.35Å; S176-T178 PolarHBondContact OG-N 3.41Å; S176-T178 PolarHBondContact OG-OG1 3.45Å; T178-P180 VanDerWaalsContact C-CD 3.4Å; T178-P180 VanDerWaalsContact C-N 3.32Å; T178-P180 VanDerWaalsContact O-N 3.14Å; T178-K181 WeakPolarHBondContact O-CA 3.41Å; T178-K181 PolarHBondContact O-N 2.92Å; T178-D182 WeakPolarHBondContact CB-OD2 3.33Å; T178-D182 PolarHBondContact O-N 2.76Å; T178-D182 PolarHBondContact OG1-OD2 2.82Å
179	L	82.4	Confident	81.4	Confident	2 Å²	2	50 Å²	50	1%	0.01	26%	0.263	C	S	.	.	H	α-helix	trans	-44.9	-48.9	-178.3	171	77.8	0	0	0	113	K142 C145 F172 S176 K181 Y183	K142-L179 HydrophobicContact CG-CD2 4.06Å; C145-L179 HydrophobicContact CB-CD2 4.04Å; F172-L179 HydrophobicContact CB-CD1 3.41Å; F172-L179 VanDerWaalsContact CB-CD1 3.41Å; F172-L179 HydrophobicContact CG-CD1 4.22Å; S176-L179 VanDerWaalsContact O-CB 3.31Å; S176-L179 WeakPolarHBondContact O-CB 3.46Å; S176-L179 PolarHBondContact O-N 2.04Å; L179-K181 VanDerWaalsContact C-N 3.31Å; L179-K181 PolarHBondContact O-N 2.92Å; L179-Y183 WeakPolarHBondContact O-CB 3.35Å; L179-Y183 PolarHBondContact O-N 3.02Å
180	P	80.2	Confident	81.6	Confident	12 Å²	12	53.4 Å²	53.4	8%	0.078	28%	0.279	C	S	.	.	H	α-helix	trans	-63.2	-38.1	-178.6	-21.5	35.4	0	0	0	112.2	L138 L141 E177 T178 M184 L217	L138-P180 HydrophobicContact CD2-CB 3.63Å; L138-P180 HydrophobicContact CD2-CG 3.97Å; L141-P180 HydrophobicContact CD1-CB 3.97Å; E177-P180 WeakPolarHBondContact O-CD 3.47Å; T178-P180 VanDerWaalsContact C-CD 3.4Å; T178-P180 VanDerWaalsContact C-N 3.32Å; T178-P180 VanDerWaalsContact O-N 3.14Å; P180-M184 WeakPolarHBondContact O-CB 3.31Å; P180-M184 WeakPolarHBondContact O-CG 3.46Å; P180-M184 PolarHBondContact O-N 3.22Å; P180-L217 HydrophobicContact CB-CD2 3.92Å
181	K	82.1	Confident	81.9	Confident	98 Å²	98	52.8 Å²	52.8	43%	0.426	27%	0.274	S	S	.	.	H	α-helix	trans	-72.1	-49.5	179.1	178.2	167.1	177.7	150.8	0	111.4	T178 L179 M184 T185 L215	T178-K181 WeakPolarHBondContact O-CA 3.41Å; T178-K181 PolarHBondContact O-N 2.92Å; L179-K181 VanDerWaalsContact C-N 3.31Å; L179-K181 PolarHBondContact O-N 2.92Å; K181-M184 PolarHBondContact O-N 2.86Å; K181-T185 WeakPolarHBondContact O-CB 3.31Å; K181-T185 PolarHBondContact O-N 3.26Å; K181-T185 PolarHBondContact O-OG1 2.65Å; K181-L215 HydrophobicContact CB-CD2 4.36Å; K181-L215 WeakPolarHBondContact CD-O 3.32Å; K181-L215 WeakPolarHBondContact CE-O 3.37Å; K181-L215 HydrophobicContact CG-CD2 3.98Å; K181-L215 PolarHBondContact NZ-O 2.93Å
182	D	83.4	Confident	81.7	Confident	61 Å²	61	46.6 Å²	46.6	33%	0.326	25%	0.246	S	C	.	.	H	α-helix	trans	-67.6	-45.1	-173.2	-57.2	-25.5	0	0	0	111	F172 T178 T185 V186	F172-D182 HydrophobicContact CD1-CB 3.8Å; F172-D182 HydrophobicContact CE1-CB 3.57Å; F172-D182 HydrophobicContact CZ-CB 4.49Å; T178-D182 WeakPolarHBondContact CB-OD2 3.33Å; T178-D182 PolarHBondContact O-N 2.76Å; T178-D182 PolarHBondContact OG1-OD2 2.82Å; D182-T185 PolarHBondContact O-N 2.84Å; D182-V186 PolarHBondContact O-N 2.75Å
183	Y	84.6	Confident	81.3	Confident	1 Å²	1	49 Å²	49	0%	0.004	26%	0.256	C	S	.	.	H	α-helix	trans	-63.6	-47	175.8	175.8	-111.6	0	0	0	112	L141 D166 L168 I169 F172 L179 T185 V186 K187 F264	L141-Y183 HydrophobicContact CD2-CD1 3.96Å; L141-Y183 HydrophobicContact CD2-CE1 3.9Å; D166-Y183 PolarHBondContact OD2-OH 3.13Å; L168-Y183 HydrophobicContact CB-CE2 4.45Å; L168-Y183 HydrophobicContact CD2-CE2 4.23Å; I169-Y183 HydrophobicContact CB-CD2 3.84Å; I169-Y183 HydrophobicContact CB-CE2 3.51Å; I169-Y183 HydrophobicContact CD1-CD1 4.05Å; I169-Y183 HydrophobicContact CD1-CD2 4.34Å; I169-Y183 HydrophobicContact CD1-CE1 3.85Å; I169-Y183 HydrophobicContact CD1-CE2 4.16Å; I169-Y183 HydrophobicContact CD1-CG 4.28Å; I169-Y183 HydrophobicContact CG1-CD1 4.23Å; I169-Y183 HydrophobicContact CG1-CD2 3.69Å; I169-Y183 HydrophobicContact CG1-CE1 4.27Å; I169-Y183 HydrophobicContact CG1-CE2 3.74Å; I169-Y183 HydrophobicContact CG1-CG 3.94Å; F172-Y183 HydrophobicContact CD2-CD2 4.21Å; F172-Y183 AromaticContact CE2-CD2 3.97Å; F172-Y183 HydrophobicContact CE2-CD2 3.97Å; L179-Y183 WeakPolarHBondContact O-CB 3.35Å; L179-Y183 PolarHBondContact O-N 3.02Å; Y183-T185 VanDerWaalsContact C-N 3.34Å; Y183-T185 PolarHBondContact O-N 3.41Å; Y183-V186 PolarHBondContact O-N 3.26Å; Y183-K187 HydrophobicContact CE2-CB 4.45Å; Y183-K187 HydrophobicContact CE2-CD 4.31Å; Y183-K187 VanDerWaalsContact O-CB 3.3Å; Y183-K187 WeakPolarHBondContact O-CB 3.45Å; Y183-K187 PolarHBondContact O-N 3.35Å; Y183-F264 HydrophobicContact CE1-CE1 4.06Å; Y183-F264 HydrophobicContact CE1-CZ 4.44Å
184	M	85.6	Confident	80.3	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-65.3	-36.8	179.6	-70.2	-61.7	-64.3	0	0	112.1	F137 L141 P180 K181 V186 K187 M188 L215 L217 M222 F260 F264	F137-M184 HydrophobicContact CE1-CE 4.13Å; F137-M184 HydrophobicContact CE1-CG 4.5Å; F137-M184 HydrophobicContact CE1-SD 4.1Å; F137-M184 HydrophobicContact CZ-CE 3.94Å; F137-M184 HydrophobicContact CZ-SD 3.92Å; L141-M184 HydrophobicContact CD1-CG 3.92Å; L141-M184 HydrophobicContact CD1-SD 4.14Å; L141-M184 HydrophobicContact CD2-SD 4.31Å; P180-M184 WeakPolarHBondContact O-CB 3.31Å; P180-M184 WeakPolarHBondContact O-CG 3.46Å; P180-M184 PolarHBondContact O-N 3.22Å; K181-M184 PolarHBondContact O-N 2.86Å; M184-V186 PolarHBondContact O-N 2.7Å; M184-K187 PolarHBondContact O-N 3.41Å; M184-M188 WeakPolarHBondContact O-CB 3.36Å; M184-M188 PolarHBondContact O-N 3.33Å; M184-L215 HydrophobicContact CB-CD1 4.05Å; M184-L215 HydrophobicContact CB-CD2 4.23Å; M184-L217 HydrophobicContact CG-CD2 4.06Å; M184-M222 HydrophobicContact CE-SD 3.81Å; M184-F260 HydrophobicContact CE-CE2 3.88Å; M184-F264 HydrophobicContact CE-CE1 4.32Å; M184-F264 HydrophobicContact CE-CE2 4.07Å; M184-F264 HydrophobicContact CE-CZ 3.75Å; M184-F264 HydrophobicContact SD-CE1 3.59Å; M184-F264 VanDerWaalsContact SD-CE1 3.59Å; M184-F264 HydrophobicContact SD-CE2 4.29Å; M184-F264 HydrophobicContact SD-CZ 3.38Å; M184-F264 WeakPolarHBondContact SD-CZ 3.36Å
185	T	85	Confident	79.2	Confident	33 Å²	33	49.1 Å²	49.1	20%	0.202	26%	0.258	C	S	.	.	H	α-helix	trans	-57.9	-48.6	177.1	-58.7	0	0	0	0	111	K181 D182 Y183 A189 V212	K181-T185 WeakPolarHBondContact O-CB 3.31Å; K181-T185 PolarHBondContact O-N 3.26Å; K181-T185 PolarHBondContact O-OG1 2.65Å; D182-T185 PolarHBondContact O-N 2.84Å; Y183-T185 VanDerWaalsContact C-N 3.34Å; Y183-T185 PolarHBondContact O-N 3.41Å; T185-A189 PolarHBondContact O-N 3.42Å; T185-V212 HydrophobicContact CG2-CB 4.08Å; T185-V212 HydrophobicContact CG2-CG1 4.05Å; T185-V212 WeakPolarHBondContact CG2-O 3.46Å
186	V	84.9	Confident	77.4	Confident	66 Å²	66	49 Å²	49	40%	0.4	27%	0.268	S	S	.	.	H	α-helix	trans	-72	-42.5	178.8	-172.2	0	0	0	0	111.7	L168 F172 D182 Y183 M184 M188 A189 E190	L168-V186 HydrophobicContact CD1-CG1 4.05Å; L168-V186 HydrophobicContact CD2-CB 4.27Å; L168-V186 HydrophobicContact CD2-CG1 3.88Å; L168-V186 HydrophobicContact CG-CG1 4.43Å; F172-V186 HydrophobicContact CZ-CG2 4.15Å; D182-V186 PolarHBondContact O-N 2.75Å; Y183-V186 PolarHBondContact O-N 3.26Å; M184-V186 PolarHBondContact O-N 2.7Å; V186-M188 VanDerWaalsContact C-N 3.33Å; V186-M188 PolarHBondContact O-N 2.77Å; V186-A189 PolarHBondContact O-N 3.08Å; V186-E190 PolarHBondContact O-N 3.04Å
187	K	85.5	Confident	75.9	Confident	17 Å²	17	48.9 Å²	48.9	7%	0.074	27%	0.272	C	S	.	.	H	α-helix	trans	-66.9	-33.6	-178.3	-162	72.3	-168.3	172.3	0	112.3	D166 L168 Y183 M184 E190 L191 T263 F264	D166-K187 IonicContact OD1-NZ 3.26Å; D166-K187 PolarHBondContact OD1-NZ 2.75Å; L168-K187 HydrophobicContact CD2-CD 4.02Å; Y183-K187 HydrophobicContact CE2-CB 4.45Å; Y183-K187 HydrophobicContact CE2-CD 4.31Å; Y183-K187 VanDerWaalsContact O-CB 3.3Å; Y183-K187 WeakPolarHBondContact O-CB 3.45Å; Y183-K187 PolarHBondContact O-N 3.35Å; M184-K187 PolarHBondContact O-N 3.41Å; K187-E190 WeakPolarHBondContact CD-OE2 3.44Å; K187-E190 WeakPolarHBondContact CE-OE2 3.44Å; K187-E190 IonicContact NZ-OE2 2.73Å; K187-E190 PolarHBondContact NZ-OE2 2.97Å; K187-E190 WeakPolarHBondContact O-CB 3.44Å; K187-E190 PolarHBondContact O-N 2.03Å; K187-L191 VanDerWaalsContact O-CG 3.31Å; K187-L191 WeakPolarHBondContact O-CG 3.09Å; K187-L191 PolarHBondContact O-N 3.23Å; K187-T263 HydrophobicContact CG-CG2 4.42Å; K187-F264 HydrophobicContact CG-CZ 4.01Å
188	M	84.1	Confident	74.4	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-75.6	-34.6	178.8	-147.8	63.6	162.7	0	0	112.4	M184 V186 E190 L191 M192 V212 M222 F224 L256 F260 L269	M184-M188 WeakPolarHBondContact O-CB 3.36Å; M184-M188 PolarHBondContact O-N 3.33Å; V186-M188 VanDerWaalsContact C-N 3.33Å; V186-M188 PolarHBondContact O-N 2.77Å; M188-E190 VanDerWaalsContact C-N 3.32Å; M188-L191 PolarHBondContact O-N 2.71Å; M188-L191 HydrophobicContact SD-CD1 3.84Å; M188-M192 WeakPolarHBondContact O-CG 3.24Å; M188-M192 PolarHBondContact O-N 3.21Å; M188-V212 HydrophobicContact CB-CG2 4.4Å; M188-M222 HydrophobicContact CE-CE 3.45Å; M188-M222 VanDerWaalsContact CE-CE 3.45Å; M188-M222 HydrophobicContact CE-SD 4.07Å; M188-F224 HydrophobicContact CE-CE1 3.64Å; M188-F224 HydrophobicContact CE-CZ 3.83Å; M188-F224 HydrophobicContact CG-CD1 4.35Å; M188-F224 HydrophobicContact CG-CE1 3.57Å; M188-F224 HydrophobicContact CG-CE2 4.16Å; M188-F224 HydrophobicContact CG-CZ 3.45Å; M188-F224 VanDerWaalsContact CG-CZ 3.45Å; M188-F224 HydrophobicContact SD-CE1 4.46Å; M188-L256 HydrophobicContact CE-CD1 3.82Å; M188-L256 HydrophobicContact CE-CD2 3.9Å; M188-L256 HydrophobicContact CE-CG 4.1Å; M188-L256 HydrophobicContact SD-CD1 4.34Å; M188-F260 HydrophobicContact CE-CD2 4.16Å; M188-F260 HydrophobicContact SD-CD2 4.38Å; M188-L269 HydrophobicContact CE-CD1 4.18Å
189	A	83.2	Confident	72.7	Confident	19 Å²	19	44.9 Å²	44.9	16%	0.157	26%	0.262	C	S	.	.	H	α-helix	trans	-61.5	-41	167.7	0	0	0	0	0	111.4	T185 V186 K193 V212	T185-A189 PolarHBondContact O-N 3.42Å; V186-A189 PolarHBondContact O-N 3.08Å; A189-K193 WeakPolarHBondContact O-CB 3.08Å; A189-K193 PolarHBondContact O-N 2.84Å; A189-K193 VanDerWaalsContact O-N 3.08Å; A189-V212 HydrophobicContact CB-CB 4.47Å; A189-V212 HydrophobicContact CB-CG2 3.86Å
190	E	79.5	Confident	71.3	Confident	74 Å²	74	44.9 Å²	44.9	35%	0.346	26%	0.263	S	S	.	.	H	α-helix	trans	-62.1	-47.7	173.6	-169.8	-175.3	-168.4	0	0	111.8	V186 K187 M188 M192 K193 N194	V186-E190 PolarHBondContact O-N 3.04Å; K187-E190 WeakPolarHBondContact CD-OE2 3.44Å; K187-E190 WeakPolarHBondContact CE-OE2 3.44Å; K187-E190 IonicContact NZ-OE2 2.73Å; K187-E190 PolarHBondContact NZ-OE2 2.97Å; K187-E190 WeakPolarHBondContact O-CB 3.44Å; K187-E190 PolarHBondContact O-N 2.03Å; M188-E190 VanDerWaalsContact C-N 3.32Å; E190-M192 PolarHBondContact O-N 2.87Å; E190-K193 PolarHBondContact O-N 3.25Å; E190-N194 WeakPolarHBondContact CG-ND2 3.26Å; E190-N194 VanDerWaalsContact O-CB 3.27Å; E190-N194 WeakPolarHBondContact O-CB 3.45Å; E190-N194 PolarHBondContact O-N 3.46Å
191	L	79.2	Confident	70.2	Confident	17 Å²	17	45 Å²	45	9%	0.089	26%	0.263	C	S	.	.	H	α-helix	trans	-62.6	-42	-179.7	-72.9	171.3	0	0	0	112.6	K187 M188 K193 A195 L256 A259 F264	K187-L191 VanDerWaalsContact O-CG 3.31Å; K187-L191 WeakPolarHBondContact O-CG 3.09Å; K187-L191 PolarHBondContact O-N 3.23Å; M188-L191 PolarHBondContact O-N 2.71Å; M188-L191 HydrophobicContact SD-CD1 3.84Å; L191-K193 VanDerWaalsContact C-N 3.34Å; L191-A195 WeakPolarHBondContact O-CB 3.34Å; L191-A195 PolarHBondContact O-N 3.06Å; L191-A195 VanDerWaalsContact O-N 3.17Å; L191-L256 HydrophobicContact CB-CD1 4.45Å; L191-A259 HydrophobicContact CD2-CB 3.85Å; L191-F264 HydrophobicContact CD1-CE2 3.98Å
192	M	74.7	Confident	69.3	Low	14 Å²	14	41.2 Å²	41.2	7%	0.069	25%	0.249	C	C	.	.	H	α-helix	trans	-69.4	-30.7	176.6	-71.2	-171.4	-69.2	0	0	113	M188 E190 V210 V212 F224 F226 L256	M188-M192 WeakPolarHBondContact O-CG 3.24Å; M188-M192 PolarHBondContact O-N 3.21Å; E190-M192 PolarHBondContact O-N 2.87Å; M192-V210 HydrophobicContact CB-CG1 4.07Å; M192-V210 HydrophobicContact CE-CG1 3.84Å; M192-V212 HydrophobicContact CE-CG2 3.29Å; M192-F224 HydrophobicContact CE-CD2 4.4Å; M192-F224 HydrophobicContact CE-CE2 3.55Å; M192-F224 HydrophobicContact CE-CZ 4.21Å; M192-F224 HydrophobicContact SD-CE2 3.9Å; M192-F224 HydrophobicContact SD-CZ 4.28Å; M192-F226 HydrophobicContact CE-CB 3.81Å; M192-F226 HydrophobicContact CE-CG 4.39Å; M192-F226 HydrophobicContact SD-CB 4.24Å; M192-F226 HydrophobicContact SD-CD1 4.32Å; M192-F226 HydrophobicContact SD-CG 4.17Å; M192-L256 HydrophobicContact CG-CD1 4.13Å
193	K	74.1	Confident	68.2	Low	93 Å²	93	42 Å²	42	40%	0.404	26%	0.256	S	S	.	.	H	α-helix	trans	-78.4	-40.1	175.7	-176.1	165.3	177	161.4	0	113.3	A189 E190 L191 D208 V210	A189-K193 WeakPolarHBondContact O-CB 3.08Å; A189-K193 PolarHBondContact O-N 2.84Å; A189-K193 VanDerWaalsContact O-N 3.08Å; E190-K193 PolarHBondContact O-N 3.25Å; L191-K193 VanDerWaalsContact C-N 3.34Å; K193-D208 PolarHBondContact NZ-O 2.88Å; K193-V210 HydrophobicContact CB-CG2 4.16Å
194	N	62.5	Low	66.8	Low	86 Å²	86	45.7 Å²	45.7	46%	0.46	28%	0.276	S	S	.	.	H	α-helix	trans	-106.7	9.1	-166.7	-67.1	-14.9	0	0	0	115	E190 S196	E190-N194 WeakPolarHBondContact CG-ND2 3.26Å; E190-N194 VanDerWaalsContact O-CB 3.27Å; E190-N194 WeakPolarHBondContact O-CB 3.45Å; E190-N194 PolarHBondContact O-N 3.46Å; N194-S196 WeakPolarHBondContact O-CB 3.25Å; N194-S196 PolarHBondContact O-N 2.71Å; N194-S196 PolarHBondContact O-OG 3.38Å
195	A	57	Low	65.5	Low	17 Å²	17	46.3 Å²	46.3	14%	0.14	28%	0.278	C	S	.	.			trans	-55.7	99.5	174	0	0	0	0	0	110.5	L191 G197 G200 N255	L191-A195 WeakPolarHBondContact O-CB 3.34Å; L191-A195 PolarHBondContact O-N 3.06Å; L191-A195 VanDerWaalsContact O-N 3.17Å; A195-G197 PolarHBondContact O-N 2.88Å; A195-G200 WeakPolarHBondContact O-CA 3.03Å; A195-N255 HydrophobicContact CB-CB 4.33Å
196	S	40	Very low	64.6	Low	128 Å²	128	48.9 Å²	48.9	90%	0.895	29%	0.287	S	S	*	.			trans	-98.1	91.9	-156.9	20	0	0	0	0	111.4	N194	N194-S196 WeakPolarHBondContact O-CB 3.25Å; N194-S196 PolarHBondContact O-N 2.71Å; N194-S196 PolarHBondContact O-OG 3.38Å
197	G	50.8	Low	63.8	Low	32 Å²	32	46.5 Å²	46.5	33%	0.33	27%	0.273	S	S	.	.	S	Bend	trans	-163	-178.1	173.8	0	0	0	0	0	109.9	A195 T199 T203	A195-G197 PolarHBondContact O-N 2.88Å; G197-T199 PolarHBondContact O-N 2.8Å; G197-T203 PolarHBondContact O-OG1 3.25Å
198	P	43.1	Very low	63.3	Low	123 Å²	123	49.5 Å²	49.5	80%	0.799	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	22.3	177.8	32.2	-36.2	0	0	0	113.8	N204	P198-N204 PolarHBondContact O-OD1 3.32Å
199	T	45.7	Very low	62.9	Low	49 Å²	49	51.1 Å²	51.1	30%	0.301	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-151.8	6	-162.5	49.9	0	0	0	0	113.3	G197 T251 N255	G197-T199 PolarHBondContact O-N 2.8Å; T199-T251 VanDerWaalsContact CB-CG2 3.47Å; T199-T251 HydrophobicContact CG2-CG2 3.93Å; T199-T251 WeakPolarHBondContact O-CG2 3.37Å; T199-N255 VanDerWaalsContact C-ND2 3.32Å; T199-N255 WeakPolarHBondContact CB-ND2 3.44Å; T199-N255 PolarHBondContact O-ND2 2.94Å; T199-N255 PolarHBondContact OG1-ND2 2.92Å
200	G	52.2	Low	62.9	Low	3 Å²	3	51 Å²	51	3%	0.031	30%	0.298	C	S	.	.			trans	-62.8	143.3	172.5	0	0	0	0	0	110.3	A195 C202 T203 N204	A195-G200 WeakPolarHBondContact O-CA 3.03Å; G200-C202 PolarHBondContact O-N 3.18Å; G200-T203 WeakPolarHBondContact CA-OG1 3.32Å; G200-T203 PolarHBondContact N-OG1 3.47Å; G200-T203 WeakPolarHBondContact O-CA 3.36Å; G200-T203 PolarHBondContact O-N 3.34Å; G200-T203 PolarHBondContact O-OG1 3.21Å; G200-N204 PolarHBondContact O-N 3.34Å; G200-N204 PolarHBondContact O-OD1 3.26Å
201	L	56.2	Low	63.1	Low	15 Å²	15	51.5 Å²	51.5	8%	0.079	30%	0.299	C	S	.	.	H	α-helix	trans	-60	-40.5	-175.8	-164.9	66.6	0	0	0	111.4	N204 F205 I228 I248 M252	L201-N204 PolarHBondContact O-N 3.32Å; L201-F205 HydrophobicContact CD1-CD2 3.62Å; L201-F205 HydrophobicContact CD1-CE2 3.75Å; L201-F205 HydrophobicContact CG-CD2 4.17Å; L201-F205 WeakPolarHBondContact O-CB 3.41Å; L201-F205 WeakPolarHBondContact O-CD2 3.19Å; L201-F205 PolarHBondContact O-N 3.07Å; L201-I228 HydrophobicContact CD2-CD1 3.34Å; L201-I228 HydrophobicContact CD2-CG1 3.91Å; L201-I248 HydrophobicContact CD1-CG2 3.74Å; L201-M252 HydrophobicContact CD1-CG 3.73Å; L201-M252 HydrophobicContact CD1-SD 3.63Å; L201-M252 HydrophobicContact CD2-CE 3.66Å; L201-M252 HydrophobicContact CD2-CG 4.33Å; L201-M252 HydrophobicContact CD2-SD 3.77Å; L201-M252 HydrophobicContact CG-CG 4.45Å; L201-M252 HydrophobicContact CG-SD 4.31Å
202	C	63.8	Low	63.4	Low	17 Å²	17	51.4 Å²	51.4	12%	0.115	30%	0.299	C	S	.	.	H	α-helix	trans	-75.4	-16.4	173.8	-63.7	0	0	0	0	114.6	G200 K206 C207	G200-C202 PolarHBondContact O-N 3.18Å; C202-K206 WeakPolarHBondContact O-CA 2.93Å; C202-K206 PolarHBondContact O-N 2.73Å; C202-C207 HydrophobicContact CB-CB 3.75Å; C202-C207 WeakPolarHBondContact CB-SG 2.95Å; C202-C207 PolarHBondContact O-N 3.46Å; C202-C207 WeakPolarHBondContact SG-CB 3.1Å; C202-C207 CovalentContact SG-SG 2.03Å; C202-C207 PolarHBondContact SG-SG 2.87Å
203	T	60.8	Low	63.8	Low	77 Å²	77	55.8 Å²	55.8	47%	0.472	32%	0.32	S	S	.	.	H	α-helix	trans	-80.5	-31.8	171.3	63	0	0	0	0	111.8	G197 G200	G197-T203 PolarHBondContact O-OG1 3.25Å; G200-T203 WeakPolarHBondContact CA-OG1 3.32Å; G200-T203 PolarHBondContact N-OG1 3.47Å; G200-T203 WeakPolarHBondContact O-CA 3.36Å; G200-T203 PolarHBondContact O-N 3.34Å; G200-T203 PolarHBondContact O-OG1 3.21Å
204	N	55.4	Low	64.2	Low	80 Å²	80	56.3 Å²	56.3	43%	0.428	33%	0.327	S	S	.	.	H	α-helix	trans	-85.2	-44.3	179.7	-67.3	19.3	0	0	0	111.7	P198 G200 L201	P198-N204 PolarHBondContact O-OD1 3.32Å; G200-N204 PolarHBondContact O-N 3.34Å; G200-N204 PolarHBondContact O-OD1 3.26Å; L201-N204 PolarHBondContact O-N 3.32Å
205	F	58.7	Low	65.1	Low	13 Å²	13	52.4 Å²	52.4	6%	0.057	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	4.1	-177.7	-66.4	-81.1	0	0	0	114.6	L201 C207 M230 M235 I243 I248	L201-F205 HydrophobicContact CD1-CD2 3.62Å; L201-F205 HydrophobicContact CD1-CE2 3.75Å; L201-F205 HydrophobicContact CG-CD2 4.17Å; L201-F205 WeakPolarHBondContact O-CB 3.41Å; L201-F205 WeakPolarHBondContact O-CD2 3.19Å; L201-F205 PolarHBondContact O-N 3.07Å; F205-C207 PolarHBondContact O-N 3.31Å; F205-M230 HydrophobicContact CB-CG 4.25Å; F205-M230 HydrophobicContact CB-SD 4.07Å; F205-M230 HydrophobicContact CD1-SD 3.96Å; F205-M230 HydrophobicContact CG-SD 4.23Å; F205-M235 HydrophobicContact CB-CE 4.26Å; F205-M235 HydrophobicContact CD1-CE 3.96Å; F205-I243 HydrophobicContact CE1-CD1 4.24Å; F205-I243 HydrophobicContact CZ-CD1 4.45Å; F205-I243 HydrophobicContact CZ-CG2 4.14Å; F205-I248 HydrophobicContact CE1-CD1 4.47Å; F205-I248 HydrophobicContact CE2-CD1 4.11Å; F205-I248 HydrophobicContact CE2-CG1 4.17Å; F205-I248 HydrophobicContact CE2-CG2 4.05Å; F205-I248 HydrophobicContact CZ-CD1 3.52Å; F205-I248 HydrophobicContact CZ-CG1 3.91Å
206	K	64.2	Low	66.1	Low	86 Å²	86	57.6 Å²	57.6	37%	0.374	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.4	63.5	-179	-65.7	-178.3	174	-176.7	0	112.4	C202 M231 E234	C202-K206 WeakPolarHBondContact O-CA 2.93Å; C202-K206 PolarHBondContact O-N 2.73Å; K206-M231 WeakPolarHBondContact O-CG 3.49Å; K206-M231 PolarHBondContact O-N 3.48Å; K206-E234 HydrophobicContact CD-CB 3.47Å; K206-E234 VanDerWaalsContact CD-CB 3.47Å; K206-E234 HydrophobicContact CD-CG 4.41Å; K206-E234 WeakPolarHBondContact CD-OE2 3.41Å; K206-E234 WeakPolarHBondContact CE-OE2 3.32Å; K206-E234 PolarHBondContact NZ-O 2.87Å; K206-E234 VanDerWaalsContact NZ-O 3.07Å; K206-E234 IonicContact NZ-OE2 3.41Å; K206-E234 PolarHBondContact NZ-OE2 2.87Å
207	C	69.9	Low	68	Low	16 Å²	16	53.2 Å²	53.2	11%	0.108	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	144.2	-178.5	95.2	0	0	0	0	111.8	C202 F205 I228 E229	C202-C207 HydrophobicContact CB-CB 3.75Å; C202-C207 WeakPolarHBondContact CB-SG 2.95Å; C202-C207 PolarHBondContact O-N 3.46Å; C202-C207 WeakPolarHBondContact SG-CB 3.1Å; C202-C207 CovalentContact SG-SG 2.03Å; C202-C207 PolarHBondContact SG-SG 2.87Å; F205-C207 PolarHBondContact O-N 3.31Å; C207-I228 HydrophobicContact CB-CG2 3.52Å; C207-E229 CarbonylContact C-O 3.51Å; C207-E229 WeakPolarHBondContact CA-O 3.38Å; C207-E229 WeakPolarHBondContact CB-O 3.29Å
208	D	73.2	Confident	69	Low	80 Å²	80	55.5 Å²	55.5	43%	0.428	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	-52.9	166.2	169.4	63.7	0	0	0	110.5	T113 K193 E229 M231	T113-D208 HydrophobicContact CG2-CB 4.27Å; K193-D208 PolarHBondContact NZ-O 2.88Å; D208-E229 HydrophobicContact CB-CB 4.41Å; D208-E229 PolarHBondContact N-O 3.38Å; D208-M231 HydrophobicContact CB-CG 4.11Å; D208-M231 HydrophobicContact CB-SD 4.12Å
209	S	77.5	Confident	70.2	Confident	34 Å²	34	56 Å²	56	24%	0.238	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	157.9	-176.5	54.3	0	0	0	0	113.3	E229	S209-E229 PolarHBondContact O-N 3.17Å; S209-E229 WeakPolarHBondContact OG-CG 3.27Å
210	V	81.6	Confident	71.3	Confident	16 Å²	16	59.2 Å²	59.2	10%	0.097	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	128	173	-177	0	0	0	0	107.7	M192 K193 Q227 I228	M192-V210 HydrophobicContact CB-CG1 4.07Å; M192-V210 HydrophobicContact CE-CG1 3.84Å; K193-V210 HydrophobicContact CB-CG2 4.16Å; V210-Q227 CarbonylContact C-O 3.48Å; V210-Q227 WeakPolarHBondContact CA-O 3.46Å; V210-I228 HydrophobicContact CG1-CG1 4.3Å; V210-I228 HydrophobicContact CG2-CG1 4.18Å; V210-I228 HydrophobicContact CG2-CG2 4.42Å
211	K	84.3	Confident	72.3	Confident	86 Å²	86	63.1 Å²	63.1	37%	0.374	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	146	174	-62.6	163	-173.8	157.5	0	108.7	F226 Q227 E229	K211-F226 VanDerWaalsContact O-CA 3.24Å; K211-F226 WeakPolarHBondContact O-CA 3.44Å; K211-Q227 HydrophobicContact CB-CB 4.4Å; K211-Q227 PolarHBondContact N-O 3.21Å; K211-Q227 PolarHBondContact O-N 3.15Å; K211-E229 IonicContact NZ-OE1 3.76Å; K211-E229 PolarHBondContact NZ-OE1 2.94Å
212	V	85	Confident	73.3	Confident	14 Å²	14	62.4 Å²	62.4	9%	0.085	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	127.5	172.7	172.4	0	0	0	0	107.9	T185 M188 A189 M192 L215 F224 D225	T185-V212 HydrophobicContact CG2-CB 4.08Å; T185-V212 HydrophobicContact CG2-CG1 4.05Å; T185-V212 WeakPolarHBondContact CG2-O 3.46Å; M188-V212 HydrophobicContact CB-CG2 4.4Å; A189-V212 HydrophobicContact CB-CB 4.47Å; A189-V212 HydrophobicContact CB-CG2 3.86Å; M192-V212 HydrophobicContact CE-CG2 3.29Å; V212-L215 HydrophobicContact CG1-CD1 4.18Å; V212-F224 HydrophobicContact CG1-CB 3.87Å; V212-F224 HydrophobicContact CG1-CD2 3.78Å; V212-F224 HydrophobicContact CG1-CG 3.92Å; V212-F224 HydrophobicContact CG2-CD2 4.27Å; V212-F224 HydrophobicContact CG2-CE2 4.43Å; V212-D225 WeakPolarHBondContact CA-O 3.03Å
213	E	84.6	Confident	74.1	Confident	107 Å²	107	63.1 Å²	63.1	50%	0.5	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	167.3	-174.7	-62.6	-171.4	-178	0	0	110.3	L215 D225	E213-L215 PolarHBondContact O-N 3.17Å; E213-D225 PolarHBondContact N-O 2.66Å; E213-D225 PolarHBondContact O-N 2.86Å
214	N	81.4	Confident	75.2	Confident	104 Å²	104	59.4 Å²	59.4	56%	0.556	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	53.7	13.1	176.1	-63.3	-33	0	0	0	117.8	R216 D225	N214-R216 WeakPolarHBondContact O-CG 3.32Å; N214-R216 PolarHBondContact O-N 3.45Å; N214-R216 VanDerWaalsContact O-N 3.16Å; N214-D225 VanDerWaalsContact CB-OD2 3.3Å; N214-D225 WeakPolarHBondContact CB-OD2 3Å; N214-D225 PolarHBondContact ND2-OD2 3.2Å
215	L	82.8	Confident	76.5	Confident	3 Å²	3	57.9 Å²	57.9	2%	0.016	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-50.9	120.8	-173.8	-171	141.1	0	0	0	113.1	K181 M184 V212 E213 L217 N223 F224	K181-L215 HydrophobicContact CB-CD2 4.36Å; K181-L215 WeakPolarHBondContact CD-O 3.32Å; K181-L215 WeakPolarHBondContact CE-O 3.37Å; K181-L215 HydrophobicContact CG-CD2 3.98Å; K181-L215 PolarHBondContact NZ-O 2.93Å; M184-L215 HydrophobicContact CB-CD1 4.05Å; M184-L215 HydrophobicContact CB-CD2 4.23Å; V212-L215 HydrophobicContact CG1-CD1 4.18Å; E213-L215 PolarHBondContact O-N 3.17Å; L215-L217 HydrophobicContact CD2-CB 4.12Å; L215-N223 CarbonylContact C-O 3.55Å; L215-N223 WeakPolarHBondContact CA-O 3.29Å; L215-F224 HydrophobicContact CB-CB 3.92Å; L215-F224 HydrophobicContact CD1-CB 4.06Å; L215-F224 HydrophobicContact CD1-CD1 4.21Å; L215-F224 HydrophobicContact CD1-CG 4.35Å; L215-F224 HydrophobicContact CG-CB 4.1Å
216	R	77	Confident	77.7	Confident	127 Å²	127	57.6 Å²	57.6	48%	0.479	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	131	171.1	-57.8	-168.2	-174	-159.3	8.1	108.2	N214 N223 M673	N214-R216 WeakPolarHBondContact O-CG 3.32Å; N214-R216 PolarHBondContact O-N 3.45Å; N214-R216 VanDerWaalsContact O-N 3.16Å; R216-N223 PolarHBondContact N-O 3.03Å; R216-N223 PolarHBondContact O-N 2.88Å; R216-N223 VanDerWaalsContact O-O 3.11Å; R216-M673 PolarHBondContact NH1-SD 2.82Å; R216-M673 PolarHBondContact NH2-O 3.02Å; R216-M673 PolarHBondContact NH2-SD 3.3Å
217	L	79.3	Confident	78.6	Confident	35 Å²	35	55.3 Å²	55.3	18%	0.183	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	124.4	-176.9	-176.7	72	0	0	0	108.1	L124 F137 L138 L141 P180 M184 L215 M222	L124-L217 HydrophobicContact CD1-CD1 3.86Å; F137-L217 HydrophobicContact CD1-CD1 4.01Å; F137-L217 HydrophobicContact CD1-CD2 4.13Å; F137-L217 HydrophobicContact CD1-CG 4.41Å; F137-L217 HydrophobicContact CE1-CD1 3.9Å; F137-L217 HydrophobicContact CE1-CD2 3.99Å; F137-L217 HydrophobicContact CE1-CG 4.49Å; L138-L217 HydrophobicContact CD2-CD2 3.64Å; L138-L217 HydrophobicContact CD2-CG 4.06Å; L141-L217 HydrophobicContact CD1-CD2 4.33Å; P180-L217 HydrophobicContact CB-CD2 3.92Å; M184-L217 HydrophobicContact CG-CD2 4.06Å; L215-L217 HydrophobicContact CD2-CB 4.12Å; L217-M222 HydrophobicContact CD1-CB 3.92Å; L217-M222 HydrophobicContact CD1-CG 4.09Å; L217-M222 HydrophobicContact CD1-SD 4.45Å
218	D	72.2	Confident	79.1	Confident	80 Å²	80	54.6 Å²	54.6	43%	0.428	27%	0.265	S	S	.	.			trans	-124.5	-166.3	170.3	67.9	53.7	0	0	0	110.6	Q220 F221	D218-Q220 VanDerWaalsContact C-N 3.29Å; D218-Q220 PolarHBondContact O-N 2.82Å; D218-Q220 WeakPolarHBondContact OD1-CA 3.16Å; D218-Q220 PolarHBondContact OD1-N 3.07Å; D218-F221 PolarHBondContact N-O 3.49Å; D218-F221 PolarHBondContact OD1-N 2.72Å
219	E	67.8	Low	79.4	Confident	133 Å²	133	51.4 Å²	51.4	62%	0.621	25%	0.248	S	C	*	.	S	Bend	trans	-76	-15.9	-177.2	-59.8	-166.7	142.7	0	0	113.8	S136 L138	S136-E219 WeakPolarHBondContact CB-OE1 3.19Å; L138-E219 HydrophobicContact CD1-CG 4.5Å
220	Q	69.5	Low	79.1	Confident	118 Å²	118	49.9 Å²	49.9	55%	0.551	24%	0.237	S	C	*	.	S	Bend	trans	-123.2	-24.4	-174.3	-63.9	-173.5	-9.4	0	0	113.3	Q123 L124 D218	Q123-Q220 CarbonylContact C-O 3.27Å; Q123-Q220 WeakPolarHBondContact CA-O 3.06Å; Q123-Q220 WeakPolarHBondContact CG-O 3.4Å; L124-Q220 PolarHBondContact N-O 2.68Å; D218-Q220 VanDerWaalsContact C-N 3.29Å; D218-Q220 PolarHBondContact O-N 2.82Å; D218-Q220 WeakPolarHBondContact OD1-CA 3.16Å; D218-Q220 PolarHBondContact OD1-N 3.07Å
221	F	73.6	Confident	78.3	Confident	85 Å²	85	52.5 Å²	52.5	37%	0.373	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	153.6	-172.9	-61.5	-80.8	0	0	0	113.5	S122 Q123 D218	S122-F221 WeakPolarHBondContact O-CA 3.05Å; Q123-F221 HydrophobicContact CB-CD1 4.16Å; Q123-F221 HydrophobicContact CB-CE1 3.97Å; Q123-F221 HydrophobicContact CG-CD1 4.36Å; Q123-F221 HydrophobicContact CG-CE1 3.99Å; Q123-F221 HydrophobicContact CG-CZ 4.46Å; D218-F221 PolarHBondContact N-O 3.49Å; D218-F221 PolarHBondContact OD1-N 2.72Å
222	M	77.4	Confident	76.9	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	129.3	170.7	177.5	176.7	55.6	0	0	108.3	S122 M184 M188 L217 F224 F260 L269	S122-M222 PolarHBondContact N-O 3.25Å; S122-M222 PolarHBondContact O-N 2.91Å; M184-M222 HydrophobicContact CE-SD 3.81Å; M188-M222 HydrophobicContact CE-CE 3.45Å; M188-M222 VanDerWaalsContact CE-CE 3.45Å; M188-M222 HydrophobicContact CE-SD 4.07Å; L217-M222 HydrophobicContact CD1-CB 3.92Å; L217-M222 HydrophobicContact CD1-CG 4.09Å; L217-M222 HydrophobicContact CD1-SD 4.45Å; M222-F224 HydrophobicContact CE-CE1 4.34Å; M222-F224 HydrophobicContact CG-CD1 4.13Å; M222-F224 HydrophobicContact CG-CE1 4.41Å; M222-F224 HydrophobicContact SD-CD1 4.42Å; M222-F224 HydrophobicContact SD-CE1 4.27Å; M222-F260 HydrophobicContact CE-CD2 4.38Å; M222-F260 HydrophobicContact CE-CE2 3.9Å; M222-F260 HydrophobicContact SD-CE2 4.39Å; M222-L269 HydrophobicContact CE-CD1 4.13Å; M222-L269 HydrophobicContact CE-CD2 3.44Å; M222-L269 VanDerWaalsContact CE-CD2 3.44Å; M222-L269 HydrophobicContact CE-CG 4.44Å
223	N	80	Confident	75.2	Confident	31 Å²	31	53.6 Å²	53.6	17%	0.166	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	133.3	175.9	177.5	-14.8	0	0	0	108.5	L120 I121 L215 R216	L120-N223 VanDerWaalsContact O-CA 3.27Å; L120-N223 WeakPolarHBondContact O-CA 3.29Å; I121-N223 HydrophobicContact CG1-CB 4.39Å; L215-N223 CarbonylContact C-O 3.55Å; L215-N223 WeakPolarHBondContact CA-O 3.29Å; R216-N223 PolarHBondContact N-O 3.03Å; R216-N223 PolarHBondContact O-N 2.88Å; R216-N223 VanDerWaalsContact O-O 3.11Å
224	F	82.9	Confident	73.6	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	155.6	168.9	59.9	-91.1	0	0	0	111.6	L120 M188 M192 V212 L215 M222 F226	L120-F224 HydrophobicContact CB-CD2 4.42Å; L120-F224 HydrophobicContact CB-CE1 4.01Å; L120-F224 HydrophobicContact CB-CE2 3.87Å; L120-F224 HydrophobicContact CB-CZ 3.65Å; L120-F224 HydrophobicContact CD1-CZ 4.06Å; L120-F224 HydrophobicContact CD2-CE1 3.7Å; L120-F224 HydrophobicContact CD2-CZ 3.88Å; L120-F224 HydrophobicContact CG-CE1 4.32Å; L120-F224 HydrophobicContact CG-CZ 4.06Å; L120-F224 PolarHBondContact N-O 2.04Å; L120-F224 PolarHBondContact O-N 3.3Å; M188-F224 HydrophobicContact CE-CE1 3.64Å; M188-F224 HydrophobicContact CE-CZ 3.83Å; M188-F224 HydrophobicContact CG-CD1 4.35Å; M188-F224 HydrophobicContact CG-CE1 3.57Å; M188-F224 HydrophobicContact CG-CE2 4.16Å; M188-F224 HydrophobicContact CG-CZ 3.45Å; M188-F224 VanDerWaalsContact CG-CZ 3.45Å; M188-F224 HydrophobicContact SD-CE1 4.46Å; M192-F224 HydrophobicContact CE-CD2 4.4Å; M192-F224 HydrophobicContact CE-CE2 3.55Å; M192-F224 HydrophobicContact CE-CZ 4.21Å; M192-F224 HydrophobicContact SD-CE2 3.9Å; M192-F224 HydrophobicContact SD-CZ 4.28Å; V212-F224 HydrophobicContact CG1-CB 3.87Å; V212-F224 HydrophobicContact CG1-CD2 3.78Å; V212-F224 HydrophobicContact CG1-CG 3.92Å; V212-F224 HydrophobicContact CG2-CD2 4.27Å; V212-F224 HydrophobicContact CG2-CE2 4.43Å; L215-F224 HydrophobicContact CB-CB 3.92Å; L215-F224 HydrophobicContact CD1-CB 4.06Å; L215-F224 HydrophobicContact CD1-CD1 4.21Å; L215-F224 HydrophobicContact CD1-CG 4.35Å; L215-F224 HydrophobicContact CG-CB 4.1Å; M222-F224 HydrophobicContact CE-CE1 4.34Å; M222-F224 HydrophobicContact CG-CD1 4.13Å; M222-F224 HydrophobicContact CG-CE1 4.41Å; M222-F224 HydrophobicContact SD-CD1 4.42Å; M222-F224 HydrophobicContact SD-CE1 4.27Å; F224-F226 HydrophobicContact CD2-CB 4.4Å; F224-F226 HydrophobicContact CD2-CD1 4.36Å; F224-F226 HydrophobicContact CE2-CB 4.32Å; F224-F226 AromaticContact CE2-CD1 3.97Å; F224-F226 HydrophobicContact CE2-CD1 3.97Å
225	D	83.4	Confident	72.1	Confident	48 Å²	48	51 Å²	51	26%	0.257	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	151.2	168.6	-59.8	-40.5	0	0	0	109.7	G118 S119 V212 E213 N214	G118-D225 CarbonylContact O-C 3.58Å; G118-D225 WeakPolarHBondContact O-CA 3.29Å; S119-D225 WeakPolarHBondContact CB-OD1 3.32Å; S119-D225 PolarHBondContact OG-OD1 3.14Å; V212-D225 WeakPolarHBondContact CA-O 3.03Å; E213-D225 PolarHBondContact N-O 2.66Å; E213-D225 PolarHBondContact O-N 2.86Å; N214-D225 VanDerWaalsContact CB-OD2 3.3Å; N214-D225 WeakPolarHBondContact CB-OD2 3Å; N214-D225 PolarHBondContact ND2-OD2 3.2Å
226	F	84.6	Confident	70	Confident	6 Å²	6	53.9 Å²	53.9	3%	0.026	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	148.6	177.8	62.5	-96.1	0	0	0	112.1	K117 G118 L120 M192 K211 F224 I228 M252 I274 L276	K117-F226 WeakPolarHBondContact CA-O 3.26Å; G118-F226 PolarHBondContact N-O 3.11Å; G118-F226 WeakPolarHBondContact O-CD1 3.45Å; G118-F226 PolarHBondContact O-N 3.32Å; L120-F226 HydrophobicContact CB-CD1 4.35Å; L120-F226 HydrophobicContact CB-CE1 4.16Å; M192-F226 HydrophobicContact CE-CB 3.81Å; M192-F226 HydrophobicContact CE-CG 4.39Å; M192-F226 HydrophobicContact SD-CB 4.24Å; M192-F226 HydrophobicContact SD-CD1 4.32Å; M192-F226 HydrophobicContact SD-CG 4.17Å; K211-F226 VanDerWaalsContact O-CA 3.24Å; K211-F226 WeakPolarHBondContact O-CA 3.44Å; F224-F226 HydrophobicContact CD2-CB 4.4Å; F224-F226 HydrophobicContact CD2-CD1 4.36Å; F224-F226 HydrophobicContact CE2-CB 4.32Å; F224-F226 AromaticContact CE2-CD1 3.97Å; F224-F226 HydrophobicContact CE2-CD1 3.97Å; F226-I228 HydrophobicContact CD2-CD1 3.51Å; F226-I228 HydrophobicContact CD2-CG1 4.21Å; F226-I228 HydrophobicContact CE2-CD1 3.52Å; F226-M252 HydrophobicContact CE2-CE 4.22Å; F226-M252 HydrophobicContact CZ-CE 3.95Å; F226-I274 HydrophobicContact CE1-CG2 4.17Å; F226-I274 HydrophobicContact CZ-CG2 3.88Å; F226-L276 HydrophobicContact CE2-CD2 3.92Å; F226-L276 HydrophobicContact CZ-CD2 3.77Å
227	Q	83.7	Confident	68.6	Low	39 Å²	39	55.9 Å²	55.9	18%	0.182	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	123.3	173.4	178	170.4	-47.4	0	0	109.1	P115 L116 K117 V210 K211 E229	P115-Q227 HydrophobicContact CB-CG 3.85Å; L116-Q227 WeakPolarHBondContact O-CA 3.18Å; K117-Q227 HydrophobicContact CG-CB 4.31Å; K117-Q227 HydrophobicContact CG-CG 4.21Å; V210-Q227 CarbonylContact C-O 3.48Å; V210-Q227 WeakPolarHBondContact CA-O 3.46Å; K211-Q227 HydrophobicContact CB-CB 4.4Å; K211-Q227 PolarHBondContact N-O 3.21Å; K211-Q227 PolarHBondContact O-N 3.15Å; Q227-E229 PolarHBondContact NE2-OE1 3.28Å
228	I	80.3	Confident	66.9	Low	1 Å²	1	57.8 Å²	57.8	1%	0.005	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	121.3	178.1	-57.4	124.9	0	0	0	108.2	P115 L116 L201 C207 V210 F226 M230	P115-I228 CarbonylContact C-O 3.31Å; P115-I228 WeakPolarHBondContact CA-O 3.45Å; L116-I228 HydrophobicContact CB-CB 4.44Å; L116-I228 HydrophobicContact CB-CD1 4.49Å; L116-I228 HydrophobicContact CD2-CD1 4.29Å; L116-I228 HydrophobicContact CG-CD1 4.42Å; L116-I228 PolarHBondContact N-O 3.46Å; L116-I228 PolarHBondContact O-N 2.02Å; L201-I228 HydrophobicContact CD2-CD1 3.34Å; L201-I228 HydrophobicContact CD2-CG1 3.91Å; C207-I228 HydrophobicContact CB-CG2 3.52Å; V210-I228 HydrophobicContact CG1-CG1 4.3Å; V210-I228 HydrophobicContact CG2-CG1 4.18Å; V210-I228 HydrophobicContact CG2-CG2 4.42Å; F226-I228 HydrophobicContact CD2-CD1 3.51Å; F226-I228 HydrophobicContact CD2-CG1 4.21Å; F226-I228 HydrophobicContact CE2-CD1 3.52Å; I228-M230 HydrophobicContact CG2-CG 4.24Å; I228-M230 PolarHBondContact O-N 2.94Å
229	E	79.1	Confident	65.5	Low	13 Å²	13	59.1 Å²	59.1	6%	0.061	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	104.8	175.9	-58.9	-64.2	168.7	0	0	109.2	T113 C207 D208 S209 K211 Q227	T113-E229 WeakPolarHBondContact CB-OE2 3.4Å; T113-E229 HydrophobicContact CG2-CB 4.01Å; T113-E229 PolarHBondContact OG1-OE2 3.02Å; C207-E229 CarbonylContact C-O 3.51Å; C207-E229 WeakPolarHBondContact CA-O 3.38Å; C207-E229 WeakPolarHBondContact CB-O 3.29Å; D208-E229 HydrophobicContact CB-CB 4.41Å; D208-E229 PolarHBondContact N-O 3.38Å; S209-E229 PolarHBondContact O-N 3.17Å; S209-E229 WeakPolarHBondContact OG-CG 3.27Å; K211-E229 IonicContact NZ-OE1 3.76Å; K211-E229 PolarHBondContact NZ-OE1 2.94Å; Q227-E229 PolarHBondContact NE2-OE1 3.28Å
230	M	71.3	Confident	64.4	Low	2 Å²	2	55.4 Å²	55.4	1%	0.01	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	145.2	-179.5	-56.3	-178.5	-63.8	0	0	111.5	T113 I114 L116 F205 I228 P232 M235 F281	T113-M230 CarbonylContact C-O 3.55Å; T113-M230 VanDerWaalsContact CA-O 3.24Å; T113-M230 WeakPolarHBondContact CA-O 3.32Å; T113-M230 WeakPolarHBondContact CB-O 3.43Å; I114-M230 HydrophobicContact CB-CB 4.38Å; I114-M230 HydrophobicContact CB-CE 3.97Å; I114-M230 HydrophobicContact CG2-CE 3.49Å; I114-M230 VanDerWaalsContact CG2-CE 3.49Å; I114-M230 PolarHBondContact N-O 2.88Å; I114-M230 WeakPolarHBondContact O-CB 3.31Å; I114-M230 PolarHBondContact O-N 2.82Å; L116-M230 HydrophobicContact CB-CE 3.82Å; L116-M230 HydrophobicContact CB-SD 4.01Å; L116-M230 HydrophobicContact CD2-SD 4.35Å; F205-M230 HydrophobicContact CB-CG 4.25Å; F205-M230 HydrophobicContact CB-SD 4.07Å; F205-M230 HydrophobicContact CD1-SD 3.96Å; F205-M230 HydrophobicContact CG-SD 4.23Å; I228-M230 HydrophobicContact CG2-CG 4.24Å; I228-M230 PolarHBondContact O-N 2.94Å; M230-P232 WeakPolarHBondContact O-CD 3.37Å; M230-M235 HydrophobicContact CB-CE 3.99Å; M230-M235 HydrophobicContact CG-CE 4.43Å; M230-M235 HydrophobicContact SD-CE 4Å; M230-F281 HydrophobicContact CE-CD2 4.33Å
231	M	63.8	Low	63.2	Low	71 Å²	71	57 Å²	57	35%	0.35	31%	0.308	S	S	.	.			trans	-99.5	108.7	180	-58	-175.1	82.9	0	0	111.1	K206 D208 D233	K206-M231 WeakPolarHBondContact O-CG 3.49Å; K206-M231 PolarHBondContact O-N 3.48Å; D208-M231 HydrophobicContact CB-CG 4.11Å; D208-M231 HydrophobicContact CB-SD 4.12Å; M231-D233 VanDerWaalsContact C-N 3.34Å; M231-D233 PolarHBondContact O-N 2.97Å
232	P	55.8	Low	61.8	Low	25 Å²	25	58.5 Å²	58.5	16%	0.162	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-64.2	-35.6	-175.5	21.1	-29.9	0	0	0	113.5	Y109 I114 M230 E234 M235	Y109-P232 HydrophobicContact CD1-CB 4.12Å; Y109-P232 HydrophobicContact CD1-CG 3.92Å; Y109-P232 HydrophobicContact CE1-CB 4.18Å; Y109-P232 HydrophobicContact CE1-CG 4.3Å; I114-P232 HydrophobicContact CD1-CB 3.85Å; I114-P232 HydrophobicContact CD1-CG 4.27Å; M230-P232 WeakPolarHBondContact O-CD 3.37Å; P232-E234 PolarHBondContact O-N 2.78Å; P232-M235 PolarHBondContact O-N 2.99Å
233	D	49.8	Very low	60.5	Low	98 Å²	98	60.9 Å²	60.9	52%	0.524	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-56.8	-17.9	-174.2	-50.4	-5	0	0	0	114.4	M231	M231-D233 VanDerWaalsContact C-N 3.34Å; M231-D233 PolarHBondContact O-N 2.97Å
234	E	50.3	Low	59.4	Low	111 Å²	111	60.9 Å²	60.9	52%	0.519	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-116.9	3.4	-173.1	-75	-147.1	-156.7	0	0	115	K206 P232 G236	K206-E234 HydrophobicContact CD-CB 3.47Å; K206-E234 VanDerWaalsContact CD-CB 3.47Å; K206-E234 HydrophobicContact CD-CG 4.41Å; K206-E234 WeakPolarHBondContact CD-OE2 3.41Å; K206-E234 WeakPolarHBondContact CE-OE2 3.32Å; K206-E234 PolarHBondContact NZ-O 2.87Å; K206-E234 VanDerWaalsContact NZ-O 3.07Å; K206-E234 IonicContact NZ-OE2 3.41Å; K206-E234 PolarHBondContact NZ-OE2 2.87Å; P232-E234 PolarHBondContact O-N 2.78Å; E234-G236 PolarHBondContact O-N 2.7Å
235	M	50.1	Low	58.2	Low	45 Å²	45	62.1 Å²	62.1	22%	0.222	34%	0.342	C	S	.	.			trans	-84.2	38	176	-68.7	-171.4	167.1	0	0	113.5	F205 M230 P232 D237 I238	F205-M235 HydrophobicContact CB-CE 4.26Å; F205-M235 HydrophobicContact CD1-CE 3.96Å; M230-M235 HydrophobicContact CB-CE 3.99Å; M230-M235 HydrophobicContact CG-CE 4.43Å; M230-M235 HydrophobicContact SD-CE 4Å; P232-M235 PolarHBondContact O-N 2.99Å; M235-D237 PolarHBondContact O-N 3.14Å; M235-I238 HydrophobicContact CB-CD1 4.37Å
236	G	39.2	Very low	56.8	Low	63 Å²	63	62 Å²	62	65%	0.649	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	132.8	-177.3	0	0	0	0	0	113.6	E234 I238	E234-G236 PolarHBondContact O-N 2.7Å; G236-I238 VanDerWaalsContact C-N 3.26Å; G236-I238 PolarHBondContact O-N 3.13Å
237	D	45.6	Very low	55.7	Low	170 Å²	170	67.4 Å²	67.4	91%	0.909	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	21.2	173.6	-60.4	-19.7	0	0	0	117.2	M235 L239	M235-D237 PolarHBondContact O-N 3.14Å; D237-L239 PolarHBondContact O-N 3.12Å
238	I	45.2	Very low	54.7	Low	75 Å²	75	66.7 Å²	66.7	39%	0.385	37%	0.368	S	S	.	.			trans	-78	110.9	169.6	-59	178.9	0	0	0	109.4	M235 G236 I243	M235-I238 HydrophobicContact CB-CD1 4.37Å; G236-I238 VanDerWaalsContact C-N 3.26Å; G236-I238 PolarHBondContact O-N 3.13Å; I238-I243 HydrophobicContact CG2-CD1 3.45Å; I238-I243 VanDerWaalsContact CG2-CD1 3.45Å; I238-I243 HydrophobicContact CG2-CG1 4.03Å
239	L	42.9	Very low	54	Low	107 Å²	107	68.6 Å²	68.6	56%	0.56	38%	0.377	S	S	*	.			trans	-76.6	138.1	167.2	-74.5	158.3	0	0	0	109.2	D237 D241 D242	D237-L239 PolarHBondContact O-N 3.12Å; L239-D241 PolarHBondContact O-N 3.09Å; L239-D242 PolarHBondContact O-N 3.49Å; L239-D242 VanDerWaalsContact O-N 3.07Å
240	L	44.5	Very low	53.3	Low	56 Å²	56	72.1 Å²	72.1	29%	0.293	40%	0.396	S	S	.	.	G	3₁₀ helix	trans	-65.1	-20.3	178.2	-96	79.3	0	0	0	113	D242 I243 F281 H285 V287	L240-D242 PolarHBondContact O-N 2.88Å; L240-I243 PolarHBondContact O-N 3.27Å; L240-F281 HydrophobicContact CD2-CE1 3.93Å; L240-F281 HydrophobicContact CD2-CZ 4.4Å; L240-F281 HydrophobicContact CG-CE1 4.41Å; L240-F281 HydrophobicContact CG-CZ 4.47Å; L240-H285 HydrophobicContact CD1-CB 4.14Å; L240-H285 WeakPolarHBondContact CD1-ND1 3.49Å; L240-H285 HydrophobicContact CD2-CB 3.72Å; L240-V287 HydrophobicContact CD2-CG2 4.17Å
241	D	42.9	Very low	52.9	Low	151 Å²	151	73.3 Å²	73.3	81%	0.807	40%	0.404	S	S	*	.	G	3₁₀ helix	trans	-65	-21.9	174.5	-54.5	-32.9	0	0	0	112.3	L239	L239-D241 PolarHBondContact O-N 3.09Å
242	D	44.4	Very low	53.1	Low	116 Å²	116	71 Å²	71	62%	0.62	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-89.3	-5.9	-178.1	-66.4	-40.2	0	0	0	114	L239 L240	L239-D242 PolarHBondContact O-N 3.49Å; L239-D242 VanDerWaalsContact O-N 3.07Å; L240-D242 PolarHBondContact O-N 2.88Å
243	I	51.6	Low	54	Low	51 Å²	51	73.6 Å²	73.6	26%	0.262	40%	0.399	S	S	.	.			trans	-123.3	95	-176.4	-57.6	-171.5	0	0	0	110.9	F205 I238 L240 I248	F205-I243 HydrophobicContact CE1-CD1 4.24Å; F205-I243 HydrophobicContact CZ-CD1 4.45Å; F205-I243 HydrophobicContact CZ-CG2 4.14Å; I238-I243 HydrophobicContact CG2-CD1 3.45Å; I238-I243 VanDerWaalsContact CG2-CD1 3.45Å; I238-I243 HydrophobicContact CG2-CG1 4.03Å; L240-I243 PolarHBondContact O-N 3.27Å; I243-I248 HydrophobicContact CG2-CD1 3.64Å; I243-I248 HydrophobicContact CG2-CG1 3.82Å
244	S	55.6	Low	55.1	Low	31 Å²	31	75 Å²	75	22%	0.217	40%	0.402	C	S	.	.			trans	-75.8	128.5	171.3	81.3	0	0	0	0	111.2	S246 E247 I248	S244-S246 PolarHBondContact O-N 3.01Å; S244-E247 PolarHBondContact O-N 2.04Å; S244-E247 WeakPolarHBondContact OG-CB 3.46Å; S244-E247 PolarHBondContact OG-N 3.21Å; S244-E247 VanDerWaalsContact OG-N 3.12Å; S244-I248 PolarHBondContact O-N 3.42Å
245	P	57.8	Low	56.2	Low	25 Å²	25	71.6 Å²	71.6	16%	0.162	39%	0.388	C	S	.	.	H	α-helix	trans	-57.8	-32.3	175.5	-27	36.1	0	0	0	112.9	I248 I249 L278	P245-I248 PolarHBondContact O-N 3.46Å; P245-I249 VanDerWaalsContact O-CG1 3.31Å; P245-I249 WeakPolarHBondContact O-CG1 3.36Å; P245-I249 PolarHBondContact O-N 3.36Å; P245-L278 HydrophobicContact CB-CD1 4.27Å; P245-L278 HydrophobicContact CG-CD1 4.16Å
246	S	55	Low	57.4	Low	46 Å²	46	70 Å²	70	32%	0.322	38%	0.38	S	S	.	.	H	α-helix	trans	-58.2	-44.4	173.7	-61	0	0	0	0	112.6	S244 I249 L250	S244-S246 PolarHBondContact O-N 3.01Å; S246-I249 PolarHBondContact O-N 3.3Å; S246-L250 WeakPolarHBondContact O-CB 3.02Å; S246-L250 VanDerWaalsContact O-CG 3.24Å; S246-L250 WeakPolarHBondContact O-CG 3.02Å; S246-L250 PolarHBondContact O-N 3.23Å
247	E	60.4	Low	59.4	Low	120 Å²	120	70 Å²	70	56%	0.561	36%	0.363	S	S	*	.	H	α-helix	trans	-71.5	-38.6	179.1	-175.6	168.8	-163.3	0	0	112.2	S244 I249 L250 T251	S244-E247 PolarHBondContact O-N 2.04Å; S244-E247 WeakPolarHBondContact OG-CB 3.46Å; S244-E247 PolarHBondContact OG-N 3.21Å; S244-E247 VanDerWaalsContact OG-N 3.12Å; E247-I249 VanDerWaalsContact C-N 3.34Å; E247-I249 PolarHBondContact O-N 2.04Å; E247-L250 PolarHBondContact O-N 2.81Å; E247-T251 WeakPolarHBondContact O-CB 3.46Å; E247-T251 PolarHBondContact O-N 3.09Å; E247-T251 PolarHBondContact O-OG1 3.21Å
248	I	62.7	Low	61	Low	24 Å²	24	66.5 Å²	66.5	12%	0.123	34%	0.341	C	S	.	.	H	α-helix	trans	-54.7	-52.5	170.4	-53.7	170	0	0	0	109.6	L201 F205 I243 S244 P245 L250 T251 M252	L201-I248 HydrophobicContact CD1-CG2 3.74Å; F205-I248 HydrophobicContact CE1-CD1 4.47Å; F205-I248 HydrophobicContact CE2-CD1 4.11Å; F205-I248 HydrophobicContact CE2-CG1 4.17Å; F205-I248 HydrophobicContact CE2-CG2 4.05Å; F205-I248 HydrophobicContact CZ-CD1 3.52Å; F205-I248 HydrophobicContact CZ-CG1 3.91Å; I243-I248 HydrophobicContact CG2-CD1 3.64Å; I243-I248 HydrophobicContact CG2-CG1 3.82Å; S244-I248 PolarHBondContact O-N 3.42Å; P245-I248 PolarHBondContact O-N 3.46Å; I248-L250 PolarHBondContact O-N 2.74Å; I248-T251 PolarHBondContact O-N 2.79Å; I248-M252 HydrophobicContact CG2-CG 4.17Å; I248-M252 HydrophobicContact CG2-SD 3.85Å; I248-M252 WeakPolarHBondContact O-CB 3.21Å; I248-M252 VanDerWaalsContact O-CG 3.29Å; I248-M252 WeakPolarHBondContact O-CG 3.34Å; I248-M252 PolarHBondContact O-N 3.3Å
249	I	65.4	Low	62.4	Low	40 Å²	40	63.7 Å²	63.7	21%	0.205	33%	0.329	C	S	.	.	H	α-helix	trans	-64.4	-42.7	-175.9	-71	166.5	0	0	0	111.5	P245 S246 E247 R253 I274 L276	P245-I249 VanDerWaalsContact O-CG1 3.31Å; P245-I249 WeakPolarHBondContact O-CG1 3.36Å; P245-I249 PolarHBondContact O-N 3.36Å; S246-I249 PolarHBondContact O-N 3.3Å; E247-I249 VanDerWaalsContact C-N 3.34Å; E247-I249 PolarHBondContact O-N 2.04Å; I249-R253 WeakPolarHBondContact O-CB 3Å; I249-R253 PolarHBondContact O-N 2.75Å; I249-I274 HydrophobicContact CG2-CB 4.3Å; I249-L276 HydrophobicContact CD1-CD1 4.17Å; I249-L276 HydrophobicContact CG1-CD1 3.83Å; I249-L276 HydrophobicContact CG1-CG 4.41Å
250	L	64.7	Low	64.3	Low	87 Å²	87	58.6 Å²	58.6	46%	0.455	30%	0.302	S	S	.	.	H	α-helix	trans	-62.2	-43.8	176.1	-75.6	167.5	0	0	0	111.8	S246 E247 I248 R253 Q254	S246-L250 WeakPolarHBondContact O-CB 3.02Å; S246-L250 VanDerWaalsContact O-CG 3.24Å; S246-L250 WeakPolarHBondContact O-CG 3.02Å; S246-L250 PolarHBondContact O-N 3.23Å; E247-L250 PolarHBondContact O-N 2.81Å; I248-L250 PolarHBondContact O-N 2.74Å; L250-R253 PolarHBondContact O-N 2.85Å; L250-Q254 WeakPolarHBondContact O-CG 3.31Å; L250-Q254 PolarHBondContact O-N 3.26Å
251	T	63.3	Low	65.9	Low	28 Å²	28	59.9 Å²	59.9	17%	0.172	31%	0.305	C	S	.	.	H	α-helix	trans	-67.8	-46.9	179.8	-61.5	0	0	0	0	111.7	T199 E247 I248 R253 Q254 N255	T199-T251 VanDerWaalsContact CB-CG2 3.47Å; T199-T251 HydrophobicContact CG2-CG2 3.93Å; T199-T251 WeakPolarHBondContact O-CG2 3.37Å; E247-T251 WeakPolarHBondContact O-CB 3.46Å; E247-T251 PolarHBondContact O-N 3.09Å; E247-T251 PolarHBondContact O-OG1 3.21Å; I248-T251 PolarHBondContact O-N 2.79Å; T251-R253 VanDerWaalsContact C-N 3.33Å; T251-R253 PolarHBondContact O-N 2.85Å; T251-Q254 PolarHBondContact O-N 2.85Å; T251-N255 WeakPolarHBondContact O-CB 3.27Å; T251-N255 PolarHBondContact O-N 3.18Å
252	M	68.7	Low	67.6	Low	22 Å²	22	59.2 Å²	59.2	11%	0.108	30%	0.298	C	S	.	.	H	α-helix	trans	-55.5	-47.8	172.6	-76.8	-179.7	69.1	0	0	111.3	L201 F226 I248 L256 I274	L201-M252 HydrophobicContact CD1-CG 3.73Å; L201-M252 HydrophobicContact CD1-SD 3.63Å; L201-M252 HydrophobicContact CD2-CE 3.66Å; L201-M252 HydrophobicContact CD2-CG 4.33Å; L201-M252 HydrophobicContact CD2-SD 3.77Å; L201-M252 HydrophobicContact CG-CG 4.45Å; L201-M252 HydrophobicContact CG-SD 4.31Å; F226-M252 HydrophobicContact CE2-CE 4.22Å; F226-M252 HydrophobicContact CZ-CE 3.95Å; I248-M252 HydrophobicContact CG2-CG 4.17Å; I248-M252 HydrophobicContact CG2-SD 3.85Å; I248-M252 WeakPolarHBondContact O-CB 3.21Å; I248-M252 VanDerWaalsContact O-CG 3.29Å; I248-M252 WeakPolarHBondContact O-CG 3.34Å; I248-M252 PolarHBondContact O-N 3.3Å; M252-L256 WeakPolarHBondContact O-CB 3.37Å; M252-L256 PolarHBondContact O-N 3.03Å; M252-I274 HydrophobicContact CB-CD1 3.62Å; M252-I274 HydrophobicContact CE-CD1 4.25Å; M252-I274 HydrophobicContact CE-CG2 4.02Å; M252-I274 HydrophobicContact SD-CG2 4.49Å
253	R	73.9	Confident	69.1	Low	80 Å²	80	54.9 Å²	54.9	30%	0.302	28%	0.275	S	S	.	.	H	α-helix	trans	-56.6	-54	178.3	169.7	-178.7	-67.3	146.4	-0.2	111.1	I249 L250 T251 L256 Q257 V272 I274	I249-R253 WeakPolarHBondContact O-CB 3Å; I249-R253 PolarHBondContact O-N 2.75Å; L250-R253 PolarHBondContact O-N 2.85Å; T251-R253 VanDerWaalsContact C-N 3.33Å; T251-R253 PolarHBondContact O-N 2.85Å; R253-L256 PolarHBondContact O-N 3.43Å; R253-Q257 WeakPolarHBondContact O-CB 3.3Å; R253-Q257 VanDerWaalsContact O-CG 3.24Å; R253-Q257 WeakPolarHBondContact O-CG 3.43Å; R253-Q257 PolarHBondContact O-N 3.44Å; R253-V272 HydrophobicContact CG-CB 4.15Å; R253-V272 HydrophobicContact CG-CG1 4.4Å; R253-V272 VanDerWaalsContact CZ-O 3.25Å; R253-V272 PolarHBondContact NE-O 3.43Å; R253-V272 PolarHBondContact NH2-O 2.97Å; R253-I274 HydrophobicContact CB-CD1 4.31Å
254	Q	73.7	Confident	70.5	Confident	126 Å²	126	52.5 Å²	52.5	59%	0.589	26%	0.263	S	S	*	.	H	α-helix	trans	-61.3	-48.6	-177.8	-72.6	176.3	1.2	0	0	112	L250 T251 L256 Q257 Q258	L250-Q254 WeakPolarHBondContact O-CG 3.31Å; L250-Q254 PolarHBondContact O-N 3.26Å; T251-Q254 PolarHBondContact O-N 2.85Å; Q254-L256 PolarHBondContact O-N 2.84Å; Q254-Q257 PolarHBondContact O-N 3.04Å; Q254-Q258 WeakPolarHBondContact O-CB 3.31Å; Q254-Q258 PolarHBondContact O-N 3.36Å
255	N	72.2	Confident	71.4	Confident	41 Å²	41	56.1 Å²	56.1	22%	0.219	28%	0.28	C	S	.	.	H	α-helix	trans	-63.3	-41.8	-179.3	-77.3	-14.6	0	0	0	112.2	A195 T199 T251 Q258 A259	A195-N255 HydrophobicContact CB-CB 4.33Å; T199-N255 VanDerWaalsContact C-ND2 3.32Å; T199-N255 WeakPolarHBondContact CB-ND2 3.44Å; T199-N255 PolarHBondContact O-ND2 2.94Å; T199-N255 PolarHBondContact OG1-ND2 2.92Å; T251-N255 WeakPolarHBondContact O-CB 3.27Å; T251-N255 PolarHBondContact O-N 3.18Å; N255-Q258 PolarHBondContact O-N 3.42Å; N255-A259 VanDerWaalsContact O-CB 3.29Å; N255-A259 WeakPolarHBondContact O-CB 3.31Å; N255-A259 PolarHBondContact O-N 3.19Å
256	L	76.7	Confident	72.2	Confident	10 Å²	10	56.8 Å²	56.8	5%	0.052	28%	0.284	C	S	.	.	H	α-helix	trans	-68.6	-41.8	177.8	-169.8	76.8	0	0	0	112.1	L120 M188 L191 M192 M252 R253 Q254 Q258 A259 F260 L269	L120-L256 HydrophobicContact CD1-CD2 3.24Å; L120-L256 HydrophobicContact CD2-CD2 4.16Å; L120-L256 HydrophobicContact CG-CD2 4.35Å; M188-L256 HydrophobicContact CE-CD1 3.82Å; M188-L256 HydrophobicContact CE-CD2 3.9Å; M188-L256 HydrophobicContact CE-CG 4.1Å; M188-L256 HydrophobicContact SD-CD1 4.34Å; L191-L256 HydrophobicContact CB-CD1 4.45Å; M192-L256 HydrophobicContact CG-CD1 4.13Å; M252-L256 WeakPolarHBondContact O-CB 3.37Å; M252-L256 PolarHBondContact O-N 3.03Å; R253-L256 PolarHBondContact O-N 3.43Å; Q254-L256 PolarHBondContact O-N 2.84Å; L256-Q258 VanDerWaalsContact C-N 3.31Å; L256-Q258 PolarHBondContact O-N 3.16Å; L256-A259 PolarHBondContact O-N 2.92Å; L256-F260 WeakPolarHBondContact O-CB 3.5Å; L256-F260 PolarHBondContact O-N 2.03Å; L256-L269 HydrophobicContact CD2-CD1 4.02Å; L256-L269 HydrophobicContact CG-CD1 4.07Å
257	Q	80	Confident	73.4	Confident	64 Å²	64	55.2 Å²	55.2	30%	0.299	27%	0.272	S	S	.	.	H	α-helix	trans	-59.9	-42.7	175.7	-74.1	-177.9	-72.9	0	0	111.5	R253 Q254 K261 L269 V272	R253-Q257 WeakPolarHBondContact O-CB 3.3Å; R253-Q257 VanDerWaalsContact O-CG 3.24Å; R253-Q257 WeakPolarHBondContact O-CG 3.43Å; R253-Q257 PolarHBondContact O-N 3.44Å; Q254-Q257 PolarHBondContact O-N 3.04Å; Q257-K261 VanDerWaalsContact O-CB 3.31Å; Q257-K261 WeakPolarHBondContact O-CB 3.43Å; Q257-K261 PolarHBondContact O-N 2.98Å; Q257-K261 VanDerWaalsContact O-N 3.11Å; Q257-L269 HydrophobicContact CG-CB 4.15Å; Q257-L269 PolarHBondContact NE2-O 2.75Å; Q257-V272 HydrophobicContact CG-CG2 3.73Å
258	Q	78.7	Confident	74.4	Confident	97 Å²	97	50.8 Å²	50.8	45%	0.453	25%	0.253	S	S	.	.	H	α-helix	trans	-67.1	-52	177.5	-176.5	62.6	19.1	0	0	111.8	Q254 N255 L256 F260 K261 E262	Q254-Q258 WeakPolarHBondContact O-CB 3.31Å; Q254-Q258 PolarHBondContact O-N 3.36Å; N255-Q258 PolarHBondContact O-N 3.42Å; L256-Q258 VanDerWaalsContact C-N 3.31Å; L256-Q258 PolarHBondContact O-N 3.16Å; Q258-F260 VanDerWaalsContact C-N 3.33Å; Q258-F260 PolarHBondContact O-N 3.07Å; Q258-K261 WeakPolarHBondContact O-CB 3.47Å; Q258-K261 PolarHBondContact O-N 2.04Å; Q258-K261 VanDerWaalsContact O-N 3.17Å; Q258-E262 PolarHBondContact NE2-OE1 3.14Å; Q258-E262 WeakPolarHBondContact O-CG 3.33Å; Q258-E262 PolarHBondContact O-N 2.95Å
259	A	74.9	Confident	75.2	Confident	15 Å²	15	49.8 Å²	49.8	12%	0.124	25%	0.248	C	C	.	.	H	α-helix	trans	-66.5	-33.6	-177	0	0	0	0	0	112.6	L191 N255 L256 T263	L191-A259 HydrophobicContact CD2-CB 3.85Å; N255-A259 VanDerWaalsContact O-CB 3.29Å; N255-A259 WeakPolarHBondContact O-CB 3.31Å; N255-A259 PolarHBondContact O-N 3.19Å; L256-A259 PolarHBondContact O-N 2.92Å; A259-T263 WeakPolarHBondContact O-CB 3.49Å; A259-T263 PolarHBondContact O-N 3.04Å; A259-T263 VanDerWaalsContact O-N 3.1Å; A259-T263 PolarHBondContact O-OG1 2.84Å
260	F	82.6	Confident	75.8	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-65	-47.5	171.4	-171.6	-80.2	0	0	0	111.1	L124 F137 M184 M188 M222 L256 Q258 E262 T263 F264 F267 L269	L124-F260 HydrophobicContact CD2-CE1 4.16Å; L124-F260 HydrophobicContact CD2-CE2 4.46Å; L124-F260 HydrophobicContact CD2-CZ 3.62Å; F137-F260 AromaticContact CE2-CZ 3.99Å; F137-F260 HydrophobicContact CE2-CZ 3.99Å; F137-F260 HydrophobicContact CZ-CE2 4.49Å; F137-F260 AromaticContact CZ-CZ 3.88Å; F137-F260 HydrophobicContact CZ-CZ 3.88Å; M184-F260 HydrophobicContact CE-CE2 3.88Å; M188-F260 HydrophobicContact CE-CD2 4.16Å; M188-F260 HydrophobicContact SD-CD2 4.38Å; M222-F260 HydrophobicContact CE-CD2 4.38Å; M222-F260 HydrophobicContact CE-CE2 3.9Å; M222-F260 HydrophobicContact SD-CE2 4.39Å; L256-F260 WeakPolarHBondContact O-CB 3.5Å; L256-F260 PolarHBondContact O-N 2.03Å; Q258-F260 VanDerWaalsContact C-N 3.33Å; Q258-F260 PolarHBondContact O-N 3.07Å; F260-E262 VanDerWaalsContact C-N 3.33Å; F260-E262 PolarHBondContact O-N 3.18Å; F260-T263 PolarHBondContact O-N 2.7Å; F260-T263 VanDerWaalsContact O-N 3.12Å; F260-F264 HydrophobicContact CD1-CB 4.06Å; F260-F264 AromaticContact CD1-CD2 3.9Å; F260-F264 HydrophobicContact CD1-CD2 3.9Å; F260-F264 HydrophobicContact CD1-CG 4.39Å; F260-F264 AromaticContact CD2-CD2 3.5Å; F260-F264 HydrophobicContact CD2-CD2 3.5Å; F260-F264 AromaticContact CD2-CE2 3.75Å; F260-F264 HydrophobicContact CD2-CE2 3.75Å; F260-F264 HydrophobicContact CE1-CB 3.76Å; F260-F264 AromaticContact CE1-CD2 3.91Å; F260-F264 HydrophobicContact CE1-CD2 3.91Å; F260-F264 HydrophobicContact CE1-CG 4.09Å; F260-F264 AromaticContact CE2-CD2 3.53Å; F260-F264 HydrophobicContact CE2-CD2 3.53Å; F260-F264 AromaticContact CE2-CE2 3.75Å; F260-F264 HydrophobicContact CE2-CE2 3.75Å; F260-F264 HydrophobicContact CE2-CG 4.25Å; F260-F264 AromaticContact CG-CD2 3.7Å; F260-F264 HydrophobicContact CG-CD2 3.7Å; F260-F264 HydrophobicContact CG-CE2 4.36Å; F260-F264 HydrophobicContact CZ-CB 4.15Å; F260-F264 AromaticContact CZ-CD2 3.73Å; F260-F264 HydrophobicContact CZ-CD2 3.73Å; F260-F264 HydrophobicContact CZ-CE2 4.33Å; F260-F264 HydrophobicContact CZ-CG 4.01Å; F260-F264 WeakPolarHBondContact O-CB 3.44Å; F260-F264 WeakPolarHBondContact O-CD2 3.44Å; F260-F264 PolarHBondContact O-N 2.81Å; F260-F267 HydrophobicContact CE1-CB 4.14Å; F260-L269 HydrophobicContact CB-CD1 3.74Å; F260-L269 HydrophobicContact CB-CG 3.87Å; F260-L269 HydrophobicContact CD1-CD1 4.39Å; F260-L269 HydrophobicContact CD1-CD2 3.94Å; F260-L269 HydrophobicContact CD1-CG 3.66Å; F260-L269 HydrophobicContact CD2-CD1 3.72Å; F260-L269 HydrophobicContact CD2-CD2 3.83Å; F260-L269 HydrophobicContact CD2-CG 3.78Å; F260-L269 HydrophobicContact CE1-CD2 3.84Å; F260-L269 HydrophobicContact CE1-CG 4.09Å; F260-L269 HydrophobicContact CE2-CD1 4.41Å; F260-L269 HydrophobicContact CE2-CD2 3.71Å; F260-L269 HydrophobicContact CE2-CG 4.19Å; F260-L269 HydrophobicContact CG-CD1 3.7Å; F260-L269 HydrophobicContact CG-CD2 3.94Å; F260-L269 HydrophobicContact CG-CG 3.49Å; F260-L269 VanDerWaalsContact CG-CG 3.49Å; F260-L269 HydrophobicContact CZ-CD2 3.72Å; F260-L269 HydrophobicContact CZ-CG 4.34Å
261	K	79	Confident	76.2	Confident	83 Å²	83	52.9 Å²	52.9	36%	0.361	26%	0.257	S	S	.	.	H	α-helix	trans	-59	-42.9	178	179.1	-179.3	178.5	-173.8	0	112.1	Q257 Q258 T263 D265 T268	Q257-K261 VanDerWaalsContact O-CB 3.31Å; Q257-K261 WeakPolarHBondContact O-CB 3.43Å; Q257-K261 PolarHBondContact O-N 2.98Å; Q257-K261 VanDerWaalsContact O-N 3.11Å; Q258-K261 WeakPolarHBondContact O-CB 3.47Å; Q258-K261 PolarHBondContact O-N 2.04Å; Q258-K261 VanDerWaalsContact O-N 3.17Å; K261-T263 VanDerWaalsContact C-N 3.3Å; K261-T263 PolarHBondContact O-N 3.33Å; K261-D265 PolarHBondContact O-N 3.18Å; K261-D265 VanDerWaalsContact O-N 3.13Å; K261-T268 HydrophobicContact CB-CG2 4.36Å; K261-T268 HydrophobicContact CD-CG2 4.16Å; K261-T268 HydrophobicContact CG-CG2 4.04Å
262	E	78.6	Confident	76.7	Confident	138 Å²	138	51.7 Å²	51.7	65%	0.645	25%	0.25	S	C	*	.	H	α-helix	trans	-65.9	-32	176.5	-71.4	175.8	-177.8	0	0	112.8	Q258 F260	Q258-E262 PolarHBondContact NE2-OE1 3.14Å; Q258-E262 WeakPolarHBondContact O-CG 3.33Å; Q258-E262 PolarHBondContact O-N 2.95Å; F260-E262 VanDerWaalsContact C-N 3.33Å; F260-E262 PolarHBondContact O-N 3.18Å
263	T	76.3	Confident	76.7	Confident	25 Å²	25	52.8 Å²	52.8	15%	0.153	26%	0.257	C	S	.	.	H	α-helix	trans	-83.7	-39.1	-178.3	-58.5	0	0	0	0	112.7	R144 K187 A259 F260 K261	R144-T263 PolarHBondContact NH1-O 2.94Å; R144-T263 PolarHBondContact NH2-O 3.03Å; R144-T263 VanDerWaalsContact NH2-O 3.11Å; K187-T263 HydrophobicContact CG-CG2 4.42Å; A259-T263 WeakPolarHBondContact O-CB 3.49Å; A259-T263 PolarHBondContact O-N 3.04Å; A259-T263 VanDerWaalsContact O-N 3.1Å; A259-T263 PolarHBondContact O-OG1 2.84Å; F260-T263 PolarHBondContact O-N 2.7Å; F260-T263 VanDerWaalsContact O-N 3.12Å; K261-T263 VanDerWaalsContact C-N 3.3Å; K261-T263 PolarHBondContact O-N 3.33Å
264	F	80	Confident	76.6	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-117.1	17.2	-166.4	-63.1	-76.3	0	0	0	114.5	F137 F140 L141 Y183 M184 K187 L191 F260 F267	F137-F264 HydrophobicContact CE2-CB 4.32Å; F137-F264 AromaticContact CE2-CD1 3.98Å; F137-F264 HydrophobicContact CE2-CD1 3.98Å; F137-F264 HydrophobicContact CE2-CG 4.28Å; F137-F264 HydrophobicContact CZ-CD1 4.02Å; F137-F264 HydrophobicContact CZ-CE1 4.24Å; F137-F264 HydrophobicContact CZ-CG 4.44Å; F140-F264 HydrophobicContact CE1-CD1 4.23Å; L141-F264 HydrophobicContact CD2-CD1 4.27Å; L141-F264 HydrophobicContact CD2-CE1 3.88Å; Y183-F264 HydrophobicContact CE1-CE1 4.06Å; Y183-F264 HydrophobicContact CE1-CZ 4.44Å; M184-F264 HydrophobicContact CE-CE1 4.32Å; M184-F264 HydrophobicContact CE-CE2 4.07Å; M184-F264 HydrophobicContact CE-CZ 3.75Å; M184-F264 HydrophobicContact SD-CE1 3.59Å; M184-F264 VanDerWaalsContact SD-CE1 3.59Å; M184-F264 HydrophobicContact SD-CE2 4.29Å; M184-F264 HydrophobicContact SD-CZ 3.38Å; M184-F264 WeakPolarHBondContact SD-CZ 3.36Å; K187-F264 HydrophobicContact CG-CZ 4.01Å; L191-F264 HydrophobicContact CD1-CE2 3.98Å; F260-F264 HydrophobicContact CD1-CB 4.06Å; F260-F264 AromaticContact CD1-CD2 3.9Å; F260-F264 HydrophobicContact CD1-CD2 3.9Å; F260-F264 HydrophobicContact CD1-CG 4.39Å; F260-F264 AromaticContact CD2-CD2 3.5Å; F260-F264 HydrophobicContact CD2-CD2 3.5Å; F260-F264 AromaticContact CD2-CE2 3.75Å; F260-F264 HydrophobicContact CD2-CE2 3.75Å; F260-F264 HydrophobicContact CE1-CB 3.76Å; F260-F264 AromaticContact CE1-CD2 3.91Å; F260-F264 HydrophobicContact CE1-CD2 3.91Å; F260-F264 HydrophobicContact CE1-CG 4.09Å; F260-F264 AromaticContact CE2-CD2 3.53Å; F260-F264 HydrophobicContact CE2-CD2 3.53Å; F260-F264 AromaticContact CE2-CE2 3.75Å; F260-F264 HydrophobicContact CE2-CE2 3.75Å; F260-F264 HydrophobicContact CE2-CG 4.25Å; F260-F264 AromaticContact CG-CD2 3.7Å; F260-F264 HydrophobicContact CG-CD2 3.7Å; F260-F264 HydrophobicContact CG-CE2 4.36Å; F260-F264 HydrophobicContact CZ-CB 4.15Å; F260-F264 AromaticContact CZ-CD2 3.73Å; F260-F264 HydrophobicContact CZ-CD2 3.73Å; F260-F264 HydrophobicContact CZ-CE2 4.33Å; F260-F264 HydrophobicContact CZ-CG 4.01Å; F260-F264 WeakPolarHBondContact O-CB 3.44Å; F260-F264 WeakPolarHBondContact O-CD2 3.44Å; F260-F264 PolarHBondContact O-N 2.81Å; F264-F267 HydrophobicContact CB-CB 4.42Å; F264-F267 WeakPolarHBondContact O-CB 3.5Å; F264-F267 WeakPolarHBondContact O-CD2 3.21Å; F264-F267 PolarHBondContact O-N 3.48Å
265	D	74.5	Confident	76.5	Confident	107 Å²	107	47.4 Å²	47.4	57%	0.572	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-41	121.1	170.4	-169.6	43.5	0	0	0	110.8	F140 K261	F140-D265 WeakPolarHBondContact CZ-O 3.45Å; K261-D265 PolarHBondContact O-N 3.18Å; K261-D265 VanDerWaalsContact O-N 3.13Å
266	P	75.1	Confident	76.4	Confident	39 Å²	39	46.5 Å²	46.5	25%	0.253	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	cis	-95.2	18.9	18.9	39.4	-39	0	0	0	117	H126 F127	H126-P266 VanDerWaalsContact NE2-CG 3.29Å; H126-P266 WeakPolarHBondContact NE2-CG 3.31Å; F127-P266 HydrophobicContact CB-CB 4.47Å; F127-P266 WeakPolarHBondContact CB-O 3.4Å; F127-P266 PolarHBondContact N-O 2.86Å
267	F	79.5	Confident	76.2	Confident	13 Å²	13	51.1 Å²	51.1	6%	0.057	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	146.8	-176.8	-64.5	-89.5	0	0	0	113.8	R125 H126 F137 F140 F260 F264	R125-F267 CarbonylContact O-C 3.59Å; R125-F267 VanDerWaalsContact O-CA 3.27Å; R125-F267 WeakPolarHBondContact O-CA 3.31Å; H126-F267 HydrophobicContact CB-CE1 4.36Å; F137-F267 HydrophobicContact CB-CD1 4.37Å; F137-F267 HydrophobicContact CB-CE1 4.02Å; F137-F267 HydrophobicContact CB-CZ 4.27Å; F137-F267 HydrophobicContact CD2-CB 4.17Å; F137-F267 AromaticContact CD2-CD1 3.89Å; F137-F267 HydrophobicContact CD2-CD1 3.89Å; F137-F267 AromaticContact CD2-CD2 3.78Å; F137-F267 HydrophobicContact CD2-CD2 3.78Å; F137-F267 HydrophobicContact CD2-CE1 4.2Å; F137-F267 HydrophobicContact CD2-CE2 4.11Å; F137-F267 AromaticContact CD2-CG 3.67Å; F137-F267 HydrophobicContact CD2-CG 3.67Å; F137-F267 HydrophobicContact CD2-CZ 4.3Å; F137-F267 HydrophobicContact CE2-CB 4.28Å; F137-F267 HydrophobicContact CE2-CD2 4.31Å; F137-F267 HydrophobicContact CE2-CG 4.22Å; F140-F267 HydrophobicContact CB-CE2 3.77Å; F140-F267 HydrophobicContact CB-CZ 4.33Å; F140-F267 HydrophobicContact CD1-CD2 4.19Å; F140-F267 HydrophobicContact CD1-CE2 4.05Å; F140-F267 HydrophobicContact CD2-CD2 4.49Å; F140-F267 AromaticContact CD2-CE2 3.95Å; F140-F267 HydrophobicContact CD2-CE2 3.95Å; F140-F267 HydrophobicContact CE1-CD2 4.4Å; F140-F267 HydrophobicContact CG-CD2 4.23Å; F140-F267 AromaticContact CG-CE2 3.67Å; F140-F267 HydrophobicContact CG-CE2 3.67Å; F260-F267 HydrophobicContact CE1-CB 4.14Å; F264-F267 HydrophobicContact CB-CB 4.42Å; F264-F267 WeakPolarHBondContact O-CB 3.5Å; F264-F267 WeakPolarHBondContact O-CD2 3.21Å; F264-F267 PolarHBondContact O-N 3.48Å
268	T	82.2	Confident	75.6	Confident	27 Å²	27	49.6 Å²	49.6	17%	0.166	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	158.8	177.3	60.7	0	0	0	0	112.2	R125 K261	R125-T268 PolarHBondContact N-O 3.29Å; R125-T268 PolarHBondContact O-N 2.81Å; K261-T268 HydrophobicContact CB-CG2 4.36Å; K261-T268 HydrophobicContact CD-CG2 4.16Å; K261-T268 HydrophobicContact CG-CG2 4.04Å
269	L	80	Confident	74.9	Confident	4 Å²	4	52.2 Å²	52.2	2%	0.021	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	121.9	171.2	-63.6	-175.6	0	0	0	110.5	S122 L124 M188 M222 L256 Q257 F260 V272	S122-L269 WeakPolarHBondContact OG-CB 3.3Å; S122-L269 WeakPolarHBondContact OG-CD2 3Å; L124-L269 HydrophobicContact CD2-CD2 3.89Å; M188-L269 HydrophobicContact CE-CD1 4.18Å; M222-L269 HydrophobicContact CE-CD1 4.13Å; M222-L269 HydrophobicContact CE-CD2 3.44Å; M222-L269 VanDerWaalsContact CE-CD2 3.44Å; M222-L269 HydrophobicContact CE-CG 4.44Å; L256-L269 HydrophobicContact CD2-CD1 4.02Å; L256-L269 HydrophobicContact CG-CD1 4.07Å; Q257-L269 HydrophobicContact CG-CB 4.15Å; Q257-L269 PolarHBondContact NE2-O 2.75Å; F260-L269 HydrophobicContact CB-CD1 3.74Å; F260-L269 HydrophobicContact CB-CG 3.87Å; F260-L269 HydrophobicContact CD1-CD1 4.39Å; F260-L269 HydrophobicContact CD1-CD2 3.94Å; F260-L269 HydrophobicContact CD1-CG 3.66Å; F260-L269 HydrophobicContact CD2-CD1 3.72Å; F260-L269 HydrophobicContact CD2-CD2 3.83Å; F260-L269 HydrophobicContact CD2-CG 3.78Å; F260-L269 HydrophobicContact CE1-CD2 3.84Å; F260-L269 HydrophobicContact CE1-CG 4.09Å; F260-L269 HydrophobicContact CE2-CD1 4.41Å; F260-L269 HydrophobicContact CE2-CD2 3.71Å; F260-L269 HydrophobicContact CE2-CG 4.19Å; F260-L269 HydrophobicContact CG-CD1 3.7Å; F260-L269 HydrophobicContact CG-CD2 3.94Å; F260-L269 HydrophobicContact CG-CG 3.49Å; F260-L269 VanDerWaalsContact CG-CG 3.49Å; F260-L269 HydrophobicContact CZ-CD2 3.72Å; F260-L269 HydrophobicContact CZ-CG 4.34Å; L269-V272 HydrophobicContact CB-CG2 3.71Å; L269-V272 HydrophobicContact CD1-CG2 4.41Å
270	E	77	Confident	74.4	Confident	55 Å²	55	55.9 Å²	55.9	26%	0.257	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	156.1	170.6	-73.5	-166.9	176.9	0	0	111.3	S122 Q123 R125 V272	S122-E270 PolarHBondContact OG-O 3.31Å; S122-E270 VanDerWaalsContact OG-O 3.08Å; Q123-E270 HydrophobicContact CB-CB 4.45Å; Q123-E270 WeakPolarHBondContact CB-O 3.4Å; Q123-E270 PolarHBondContact N-O 3.42Å; Q123-E270 PolarHBondContact O-N 2.81Å; R125-E270 VanDerWaalsContact CD-CD 3.48Å; R125-E270 WeakPolarHBondContact CD-OE1 3.03Å; R125-E270 WeakPolarHBondContact CD-OE2 3.14Å; R125-E270 HydrophobicContact CG-CG 4.38Å; R125-E270 IonicContact CZ-OE1 3.64Å; R125-E270 IonicContact CZ-OE2 2.64Å; R125-E270 IonicContact NE-OE1 3.02Å; R125-E270 IonicContact NE-OE2 2.77Å; R125-E270 PolarHBondContact NE-OE2 3.27Å; R125-E270 IonicContact NH1-OE1 3.01Å; R125-E270 PolarHBondContact NH1-OE1 2.92Å; R125-E270 IonicContact NH1-OE2 3.42Å; R125-E270 PolarHBondContact NH1-OE2 3.35Å; R125-E270 IonicContact NH2-OE2 3.02Å; E270-V272 PolarHBondContact O-N 2.84Å
271	K	73	Confident	73.4	Confident	137 Å²	137	57.9 Å²	57.9	60%	0.596	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	52.9	40	178.7	-55.1	175.7	-173.8	160.5	0	113.4	V273	K271-V273 PolarHBondContact O-N 2.78Å
272	V	73	Confident	72.5	Confident	3 Å²	3	54.3 Å²	54.3	2%	0.018	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	106	177.9	-180	0	0	0	0	109.9	L120 I121 S122 R253 Q257 L269 E270 I274	L120-V272 HydrophobicContact CD1-CG1 4.08Å; L120-V272 HydrophobicContact CD2-CG1 4.39Å; L120-V272 HydrophobicContact CG-CG1 4.28Å; I121-V272 CarbonylContact O-C 3.04Å; I121-V272 WeakPolarHBondContact O-CA 3.25Å; S122-V272 WeakPolarHBondContact OG-CG2 3.49Å; R253-V272 HydrophobicContact CG-CB 4.15Å; R253-V272 HydrophobicContact CG-CG1 4.4Å; R253-V272 VanDerWaalsContact CZ-O 3.25Å; R253-V272 PolarHBondContact NE-O 3.43Å; R253-V272 PolarHBondContact NH2-O 2.97Å; Q257-V272 HydrophobicContact CG-CG2 3.73Å; L269-V272 HydrophobicContact CB-CG2 3.71Å; L269-V272 HydrophobicContact CD1-CG2 4.41Å; E270-V272 PolarHBondContact O-N 2.84Å; V272-I274 HydrophobicContact CG1-CD1 4.22Å; V272-I274 HydrophobicContact CG1-CG1 3.94Å
273	V	70.1	Confident	71.4	Confident	44 Å²	44	50.2 Å²	50.2	27%	0.267	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	132.1	169.9	-179.2	0	0	0	0	107.9	L120 I121 K271 V275 P749	L120-V273 WeakPolarHBondContact CA-O 3.46Å; I121-V273 HydrophobicContact CB-CB 4.45Å; I121-V273 PolarHBondContact N-O 2.8Å; I121-V273 PolarHBondContact O-N 3.45Å; K271-V273 PolarHBondContact O-N 2.78Å; V273-V275 HydrophobicContact CG1-CG2 4.31Å; V273-P749 HydrophobicContact CG2-CG 4.5Å
274	I	71	Confident	70.5	Confident	12 Å²	12	51.6 Å²	51.6	6%	0.062	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	124.5	176.8	-50.2	-177.9	0	0	0	106.1	S119 L120 F226 I249 M252 R253 V272 L276	S119-I274 WeakPolarHBondContact O-CA 2.96Å; L120-I274 HydrophobicContact CD1-CD1 4.16Å; L120-I274 HydrophobicContact CD1-CG1 3.92Å; L120-I274 HydrophobicContact CG-CG1 4.38Å; F226-I274 HydrophobicContact CE1-CG2 4.17Å; F226-I274 HydrophobicContact CZ-CG2 3.88Å; I249-I274 HydrophobicContact CG2-CB 4.3Å; M252-I274 HydrophobicContact CB-CD1 3.62Å; M252-I274 HydrophobicContact CE-CD1 4.25Å; M252-I274 HydrophobicContact CE-CG2 4.02Å; M252-I274 HydrophobicContact SD-CG2 4.49Å; R253-I274 HydrophobicContact CB-CD1 4.31Å; V272-I274 HydrophobicContact CG1-CD1 4.22Å; V272-I274 HydrophobicContact CG1-CG1 3.94Å; I274-L276 HydrophobicContact CG2-CD2 4.28Å; I274-L276 HydrophobicContact CG2-CG 4.45Å
275	V	72	Confident	69.3	Low	81 Å²	81	55.5 Å²	55.5	49%	0.491	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	133.8	174.3	-176.6	0	0	0	0	107.2	G118 S119 V273	G118-V275 CarbonylContact C-O 3.31Å; G118-V275 WeakPolarHBondContact CA-O 2.99Å; S119-V275 PolarHBondContact N-O 3.03Å; S119-V275 PolarHBondContact O-N 3.12Å; V273-V275 HydrophobicContact CG1-CG2 4.31Å
276	L	71	Confident	68.2	Low	23 Å²	23	56.3 Å²	56.3	12%	0.12	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	129	-179.9	-65.9	176.4	0	0	0	110.2	L116 F226 I249 I274 L278	L116-L276 HydrophobicContact CD2-CD2 4.5Å; F226-L276 HydrophobicContact CE2-CD2 3.92Å; F226-L276 HydrophobicContact CZ-CD2 3.77Å; I249-L276 HydrophobicContact CD1-CD1 4.17Å; I249-L276 HydrophobicContact CG1-CD1 3.83Å; I249-L276 HydrophobicContact CG1-CG 4.41Å; I274-L276 HydrophobicContact CG2-CD2 4.28Å; I274-L276 HydrophobicContact CG2-CG 4.45Å; L276-L278 HydrophobicContact CB-CD2 4.22Å; L276-L278 HydrophobicContact CB-CG 4.41Å; L276-L278 PolarHBondContact O-N 3.46Å; L276-L278 VanDerWaalsContact O-N 3.09Å
277	E	70.9	Confident	67	Low	107 Å²	107	57.1 Å²	57.1	50%	0.5	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	80.5	174.6	-64.9	-169.9	159.4	0	0	110.2	K117 R279	K117-E277 HydrophobicContact CB-CB 4.07Å; K117-E277 HydrophobicContact CB-CG 4.19Å; K117-E277 VanDerWaalsContact CB-OE2 3.31Å; K117-E277 WeakPolarHBondContact CB-OE2 3.12Å; K117-E277 VanDerWaalsContact CD-OE2 3.25Å; K117-E277 WeakPolarHBondContact CD-OE2 3.03Å; K117-E277 PolarHBondContact O-N 3.23Å; E277-R279 PolarHBondContact O-N 3.13Å; E277-R279 VanDerWaalsContact O-N 3.09Å
278	L	68.6	Low	65.5	Low	31 Å²	31	62.9 Å²	62.9	16%	0.162	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-5.9	-178	-62.4	178.7	0	0	0	114.4	L116 P245 L276 Q280 F281 C282	L116-L278 HydrophobicContact CD1-CD2 4.39Å; P245-L278 HydrophobicContact CB-CD1 4.27Å; P245-L278 HydrophobicContact CG-CD1 4.16Å; L276-L278 HydrophobicContact CB-CD2 4.22Å; L276-L278 HydrophobicContact CB-CG 4.41Å; L276-L278 PolarHBondContact O-N 3.46Å; L276-L278 VanDerWaalsContact O-N 3.09Å; L278-Q280 PolarHBondContact O-N 3.03Å; L278-F281 CarbonylContact O-C 3.58Å; L278-F281 WeakPolarHBondContact O-CA 3.47Å; L278-F281 WeakPolarHBondContact O-CB 3.38Å; L278-F281 PolarHBondContact O-N 3.48Å; L278-C282 PolarHBondContact O-N 3.38Å; L278-C282 PolarHBondContact O-SG 2.61Å
279	R	64.3	Low	63.9	Low	152 Å²	152	63.7 Å²	63.7	57%	0.574	33%	0.326	S	S	*	.	H	α-helix	trans	-56.6	-42.5	-171.5	-172.4	176.1	-177.2	158.8	2.8	113.8	E277 G283	E277-R279 PolarHBondContact O-N 3.13Å; E277-R279 VanDerWaalsContact O-N 3.09Å; R279-G283 PolarHBondContact O-N 2.95Å
280	Q	62.9	Low	62.2	Low	93 Å²	93	65.6 Å²	65.6	44%	0.435	34%	0.34	S	S	.	.	H	α-helix	trans	-70.3	-41.1	176.8	-66.8	-177.6	-63.1	0	0	110.9	P115 L278 G283 L284	P115-Q280 PolarHBondContact O-OE1 3.49Å; L278-Q280 PolarHBondContact O-N 3.03Å; Q280-G283 PolarHBondContact O-N 2.8Å; Q280-L284 VanDerWaalsContact O-CD1 3.29Å; Q280-L284 WeakPolarHBondContact O-CD1 3.46Å; Q280-L284 VanDerWaalsContact O-CG 3.27Å; Q280-L284 WeakPolarHBondContact O-CG 3.16Å; Q280-L284 PolarHBondContact O-N 2.86Å
281	F	62.1	Low	60.5	Low	41 Å²	41	67.3 Å²	67.3	18%	0.18	35%	0.351	C	S	.	.	H	α-helix	trans	-62.1	-51.2	177.5	-174	-98.1	0	0	0	112.7	M230 L240 L278 G283 L284 H285	M230-F281 HydrophobicContact CE-CD2 4.33Å; L240-F281 HydrophobicContact CD2-CE1 3.93Å; L240-F281 HydrophobicContact CD2-CZ 4.4Å; L240-F281 HydrophobicContact CG-CE1 4.41Å; L240-F281 HydrophobicContact CG-CZ 4.47Å; L278-F281 CarbonylContact O-C 3.58Å; L278-F281 WeakPolarHBondContact O-CA 3.47Å; L278-F281 WeakPolarHBondContact O-CB 3.38Å; L278-F281 PolarHBondContact O-N 3.48Å; F281-G283 VanDerWaalsContact C-N 3.28Å; F281-G283 PolarHBondContact O-N 2.98Å; F281-L284 PolarHBondContact O-N 2.84Å; F281-H285 AromaticContact CE2-NE2 3.9Å; F281-H285 PolarHBondContact O-CD2 2.87Å; F281-H285 PolarHBondContact O-N 3.16Å
282	C	61.4	Low	58.9	Low	9 Å²	9	62 Å²	62	6%	0.061	33%	0.333	C	S	.	.	H	α-helix	trans	-57.7	-41.3	174.4	-56	0	0	0	0	111.9	L278 L284 H285 N286 V287 C289	L278-C282 PolarHBondContact O-N 3.38Å; L278-C282 PolarHBondContact O-SG 2.61Å; C282-L284 VanDerWaalsContact C-N 3.35Å; C282-L284 PolarHBondContact O-N 3.34Å; C282-H285 CarbonylContact O-C 3.53Å; C282-H285 PolarHBondContact O-N 3.09Å; C282-N286 PolarHBondContact O-N 3.4Å; C282-V287 WeakPolarHBondContact CB-O 2.93Å; C282-V287 PolarHBondContact O-N 2.87Å; C282-C289 HydrophobicContact CB-CB 4.25Å; C282-C289 WeakPolarHBondContact CB-SG 3.25Å; C282-C289 VanDerWaalsContact SG-CA 3.52Å; C282-C289 WeakPolarHBondContact SG-CB 3.4Å; C282-C289 CovalentContact SG-SG 2.04Å; C282-C289 PolarHBondContact SG-SG 3.45Å
283	G	55.3	Low	57.3	Low	52 Å²	52	65.7 Å²	65.7	54%	0.536	35%	0.352	S	S	.	.	H	α-helix	trans	-64.7	-35	-179.7	0	0	0	0	0	113.5	R279 Q280 F281 H285	R279-G283 PolarHBondContact O-N 2.95Å; Q280-G283 PolarHBondContact O-N 2.8Å; F281-G283 VanDerWaalsContact C-N 3.28Å; F281-G283 PolarHBondContact O-N 2.98Å; G283-H285 VanDerWaalsContact C-N 3.34Å
284	L	56.5	Low	55.5	Low	53 Å²	53	68.6 Å²	68.6	28%	0.277	37%	0.365	S	S	.	.	H	α-helix	trans	-69.5	-32.2	175.7	-69.8	155.5	0	0	0	112.4	Y109 I114 Q280 F281 C282	Y109-L284 HydrophobicContact CE1-CD2 4.41Å; Y109-L284 VanDerWaalsContact OH-CD2 3.26Å; Y109-L284 WeakPolarHBondContact OH-CD2 3.25Å; I114-L284 HydrophobicContact CB-CD1 4.27Å; I114-L284 HydrophobicContact CD1-CD1 3.9Å; I114-L284 HydrophobicContact CG1-CD1 3.89Å; I114-L284 HydrophobicContact CG2-CD1 3.35Å; Q280-L284 VanDerWaalsContact O-CD1 3.29Å; Q280-L284 WeakPolarHBondContact O-CD1 3.46Å; Q280-L284 VanDerWaalsContact O-CG 3.27Å; Q280-L284 WeakPolarHBondContact O-CG 3.16Å; Q280-L284 PolarHBondContact O-N 2.86Å; F281-L284 PolarHBondContact O-N 2.84Å; C282-L284 VanDerWaalsContact C-N 3.35Å; C282-L284 PolarHBondContact O-N 3.34Å
285	H	54.1	Low	53.5	Low	83 Å²	83	71.8 Å²	71.8	38%	0.384	39%	0.388	S	S	.	.	H	α-helix	trans	-97.9	-0.4	-179.3	-67.8	-69.3	0	0	0	114.6	L240 F281 C282 G283 V287	L240-H285 HydrophobicContact CD1-CB 4.14Å; L240-H285 WeakPolarHBondContact CD1-ND1 3.49Å; L240-H285 HydrophobicContact CD2-CB 3.72Å; F281-H285 AromaticContact CE2-NE2 3.9Å; F281-H285 PolarHBondContact O-CD2 2.87Å; F281-H285 PolarHBondContact O-N 3.16Å; C282-H285 CarbonylContact O-C 3.53Å; C282-H285 PolarHBondContact O-N 3.09Å; G283-H285 VanDerWaalsContact C-N 3.34Å; H285-V287 HydrophobicContact CB-CG2 4.14Å; H285-V287 PolarHBondContact O-N 3.32Å
286	N	52.4	Low	51.5	Low	124 Å²	124	70.1 Å²	70.1	66%	0.663	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.1	35.5	-178.9	-161.6	31.8	0	0	0	113.9	C282	C282-N286 PolarHBondContact O-N 3.4Å
287	V	50.2	Low	49.4	Very low	55 Å²	55	78.8 Å²	78.8	33%	0.333	41%	0.409	S	S	.	.			trans	-104	137.8	177.5	-176.3	0	0	0	0	109.1	L240 C282 H285 C289 A292	L240-V287 HydrophobicContact CD2-CG2 4.17Å; C282-V287 WeakPolarHBondContact CB-O 2.93Å; C282-V287 PolarHBondContact O-N 2.87Å; H285-V287 HydrophobicContact CB-CG2 4.14Å; H285-V287 PolarHBondContact O-N 3.32Å; V287-C289 PolarHBondContact O-N 3.2Å; V287-A292 HydrophobicContact CG1-CB 4.3Å
288	H	47.3	Very low	47.2	Very low	134 Å²	134	79.1 Å²	79.1	62%	0.62	41%	0.413	S	S	*	.			trans	-68.5	120.7	171.5	-147.1	-98.1	0	0	0	108.3	S290 D291 A292	H288-S290 PolarHBondContact ND1-OG 3.07Å; H288-S290 PolarHBondContact O-N 3.47Å; H288-D291 HydrophobicContact CB-CB 4.5Å; H288-D291 WeakPolarHBondContact CB-OD2 3.46Å; H288-D291 WeakPolarHBondContact O-CB 3.36Å; H288-D291 PolarHBondContact O-N 3.46Å; H288-A292 PolarHBondContact O-N 3.07Å
289	C	48.9	Very low	45.2	Very low	44 Å²	44	83.4 Å²	83.4	30%	0.297	44%	0.443	S	S	.	.	H	α-helix	trans	-58.9	-25.1	-173.7	-67.3	0	0	0	0	113.2	C282 V287 D291 I293	C282-C289 HydrophobicContact CB-CB 4.25Å; C282-C289 WeakPolarHBondContact CB-SG 3.25Å; C282-C289 VanDerWaalsContact SG-CA 3.52Å; C282-C289 WeakPolarHBondContact SG-CB 3.4Å; C282-C289 CovalentContact SG-SG 2.04Å; C282-C289 PolarHBondContact SG-SG 3.45Å; V287-C289 PolarHBondContact O-N 3.2Å; C289-D291 VanDerWaalsContact C-N 3.27Å; C289-D291 PolarHBondContact O-N 2.59Å; C289-I293 WeakPolarHBondContact O-CD1 3.31Å; C289-I293 VanDerWaalsContact O-CG1 3.29Å; C289-I293 WeakPolarHBondContact O-CG1 3.47Å; C289-I293 PolarHBondContact O-N 2.67Å
290	S	44.5	Very low	43.5	Very low	45 Å²	45	83.4 Å²	83.4	32%	0.315	45%	0.454	S	S	.	.	H	α-helix	trans	-59	-40.1	171.5	54.9	0	0	0	0	112	H288 I293 I294	H288-S290 PolarHBondContact ND1-OG 3.07Å; H288-S290 PolarHBondContact O-N 3.47Å; S290-I293 CarbonylContact O-C 3.24Å; S290-I293 PolarHBondContact O-N 2.89Å; S290-I293 VanDerWaalsContact O-N 3.12Å; S290-I294 WeakPolarHBondContact O-CB 3.47Å; S290-I294 WeakPolarHBondContact O-CD1 3.4Å; S290-I294 WeakPolarHBondContact O-CG1 3.38Å; S290-I294 PolarHBondContact O-N 2.91Å
291	D	40.9	Very low	41.9	Very low	90 Å²	90	90 Å²	90	48%	0.481	48%	0.475	S	S	.	.	H	α-helix	trans	-77.2	-34.2	-169.7	-55.9	-6	0	0	0	110.1	H288 C289 I293 I294 S295	H288-D291 HydrophobicContact CB-CB 4.5Å; H288-D291 WeakPolarHBondContact CB-OD2 3.46Å; H288-D291 WeakPolarHBondContact O-CB 3.36Å; H288-D291 PolarHBondContact O-N 3.46Å; C289-D291 VanDerWaalsContact C-N 3.27Å; C289-D291 PolarHBondContact O-N 2.59Å; D291-I293 PolarHBondContact O-N 3.23Å; D291-I294 PolarHBondContact O-N 2.76Å; D291-S295 WeakPolarHBondContact O-CB 3.44Å; D291-S295 PolarHBondContact O-N 2.91Å; D291-S295 PolarHBondContact O-OG 3.31Å; D291-S295 VanDerWaalsContact O-OG 3.13Å
292	A	39.9	Very low	40.3	Very low	25 Å²	25	97.3 Å²	97.3	21%	0.207	51%	0.51	C	S	.	.	H	α-helix	trans	-66.5	-21.2	169.4	0	0	0	0	0	113.8	V287 H288 T296	V287-A292 HydrophobicContact CG1-CB 4.3Å; H288-A292 PolarHBondContact O-N 3.07Å; A292-T296 PolarHBondContact O-OG1 3.08Å
293	I	38.9	Very low	38.8	Very low	82 Å²	82	100.8 Å²	100.8	42%	0.421	55%	0.547	S	S	.	.	H	α-helix	trans	-93.5	-38.8	176.1	-66.2	167.7	0	0	0	110.6	C289 S290 D291 T296	C289-I293 WeakPolarHBondContact O-CD1 3.31Å; C289-I293 VanDerWaalsContact O-CG1 3.29Å; C289-I293 WeakPolarHBondContact O-CG1 3.47Å; C289-I293 PolarHBondContact O-N 2.67Å; S290-I293 CarbonylContact O-C 3.24Å; S290-I293 PolarHBondContact O-N 2.89Å; S290-I293 VanDerWaalsContact O-N 3.12Å; D291-I293 PolarHBondContact O-N 3.23Å; I293-T296 PolarHBondContact O-N 3.45Å; I293-T296 PolarHBondContact O-OG1 3.48Å; I293-T296 VanDerWaalsContact O-OG1 3.05Å
294	I	32	Very low	37.4	Very low	105 Å²	105	108 Å²	108	54%	0.538	56%	0.564	S	S	.	*	H	α-helix	trans	-72	-36.3	-177.9	-69.8	163.1	0	0	0	111.3	S290 D291 T296 W297	S290-I294 WeakPolarHBondContact O-CB 3.47Å; S290-I294 WeakPolarHBondContact O-CD1 3.4Å; S290-I294 WeakPolarHBondContact O-CG1 3.38Å; S290-I294 PolarHBondContact O-N 2.91Å; D291-I294 PolarHBondContact O-N 2.76Å; I294-T296 PolarHBondContact O-N 3.24Å; I294-W297 PolarHBondContact O-N 3.24Å
295	S	28.9	Very low	36	Very low	78 Å²	78	113.8 Å²	113.8	55%	0.545	59%	0.593	S	S	.	*	T	Hydrogen-bonded Turn	trans	-62.9	-21.4	175.9	64.1	0	0	0	0	113.8	D291	D291-S295 WeakPolarHBondContact O-CB 3.44Å; D291-S295 PolarHBondContact O-N 2.91Å; D291-S295 PolarHBondContact O-OG 3.31Å; D291-S295 VanDerWaalsContact O-OG 3.13Å
296	T	30.3	Very low	34.8	Very low	46 Å²	46	116 Å²	116	28%	0.282	61%	0.613	S	S	.	*	T	Hydrogen-bonded Turn	trans	-101.4	1.3	-175.4	56.3	0	0	0	0	114.3	A292 I293 I294	A292-T296 PolarHBondContact O-OG1 3.08Å; I293-T296 PolarHBondContact O-N 3.45Å; I293-T296 PolarHBondContact O-OG1 3.48Å; I293-T296 VanDerWaalsContact O-OG1 3.05Å; I294-T296 PolarHBondContact O-N 3.24Å
297	W	26.3	Very low	33.5	Very low	206 Å²	206	119.3 Å²	119.3	78%	0.78	62%	0.621	S	S	*	*	S	Bend	trans	-104.5	1.3	176.4	-86.8	73.2	0	0	0	114.4	I294	I294-W297 PolarHBondContact O-N 3.24Å
298	I	26.2	Very low	32.5	Very low	113 Å²	113	122.4 Å²	122.4	58%	0.579	64%	0.642	S	S	*	*	S	Bend	trans	-102.2	115.1	168.7	-55.9	175.3	0	0	0	107.1	D300	I298-D300 PolarHBondContact O-N 3.01Å
299	P	26.9	Very low	31.6	Very low	122 Å²	122	123.6 Å²	123.6	79%	0.792	65%	0.648	S	S	*	*			trans	-69.7	102.8	167.4	-10.8	26.3	0	0	0	107.8	R301	P299-R301 PolarHBondContact O-N 3.34Å
300	D	28	Very low	30.7	Very low	151 Å²	151	129.3 Å²	129.3	81%	0.807	67%	0.671	S	S	*	*			trans	-57.5	138.6	173.2	-95.8	-34.8	0	0	0	110.4	I298	I298-D300 PolarHBondContact O-N 3.01Å
301	R	29	Very low	29.9	Very low	232 Å²	232	131.9 Å²	131.9	88%	0.875	69%	0.685	S	S	*	*	S	Bend	trans	-68.9	148.1	175.5	-71	175.5	167.5	-179.6	-4.4	109.3	P299	P299-R301 PolarHBondContact O-N 3.34Å
302	E	29.4	Very low	29.2	Very low	195 Å²	195	133.2 Å²	133.2	91%	0.911	70%	0.696	S	S	*	*			trans	84.3	104.1	169.9	-48.4	-173.6	170	0	0	117.2
303	G	28.3	Very low	28.6	Very low	82 Å²	82	137.6 Å²	137.6	85%	0.845	72%	0.721	S	S	*	*			trans	-177.8	84.8	173.2	0	0	0	0	0	114.8
304	K	25.7	Very low	28.2	Very low	202 Å²	202	138.6 Å²	138.6	88%	0.878	74%	0.735	S	S	*	*			trans	-61.7	144.1	179.1	-64.3	164.5	177.8	164.3	0	113.2
305	I	28.1	Very low	28	Very low	176 Å²	176	139.1 Å²	139.1	90%	0.903	74%	0.743	S	S	*	*			trans	-155.3	156	140.2	-93.5	134.4	0	0	0	110
306	T	27.8	Very low	28	Very low	130 Å²	130	142 Å²	142	80%	0.798	76%	0.757	S	S	*	*			trans	-102.6	153.2	-157.1	47	0	0	0	0	116.5
307	K	26.5	Very low	27.9	Very low	192 Å²	192	143.3 Å²	143.3	84%	0.835	78%	0.779	S	S	*	*			trans	-68.8	157.1	170.5	-69.5	-171	175.1	-171.6	0	113.6
308	P	28.6	Very low	28.1	Very low	120 Å²	120	140.1 Å²	140.1	78%	0.779	78%	0.778	S	S	*	*				-142.3	-178.9	100.8	39	-25.8	0	0	0	112.8
309	E	28.9	Very low	28.2	Very low	160 Å²	160	141.7 Å²	141.7	75%	0.748	79%	0.788	S	S	*	*			cis	-174.1	113.8	-37.1	178.4	173.9	-139.8	0	0	108.5
310	Q	29.9	Very low	28.6	Very low	163 Å²	163	145.3 Å²	145.3	76%	0.762	79%	0.794	S	S	*	*			trans	57.4	160.3	160	-56.3	-176.9	18.6	0	0	118.3
311	T	27.2	Very low	28.5	Very low	100 Å²	100	144.1 Å²	144.1	61%	0.613	79%	0.792	S	S	*	*			cis	-163.2	139.3	24.9	-18.5	0	0	0	0	112.2
312	T	27	Very low	28.5	Very low	117 Å²	117	142.1 Å²	142.1	72%	0.718	79%	0.793	S	S	*	*			trans	57.8	146.2	140.1	55.2	0	0	0	0	122.7
313	T	27.4	Very low	28.4	Very low	118 Å²	118	138.2 Å²	138.2	72%	0.724	79%	0.787	S	S	*	*			cis	-174.1	166	-13.5	24.6	0	0	0	0	109.3
314	S	28.9	Very low	28.2	Very low	102 Å²	102	143.3 Å²	143.3	71%	0.713	79%	0.791	S	S	*	*			trans	82.9	145	149.9	-63.2	0	0	0	0	120.2
315	T	28	Very low	28.2	Very low	117 Å²	117	141.5 Å²	141.5	72%	0.718	79%	0.79	S	S	*	*			cis	-174.9	140.6	-27.9	29.3	0	0	0	0	109.5
316	V	29.5	Very low	28.2	Very low	138 Å²	138	137.3 Å²	137.3	84%	0.836	78%	0.776	S	S	*	*			trans	63.5	134.5	144.6	178.2	0	0	0	0	120.2
317	G	29.4	Very low	28.4	Very low	73 Å²	73	136.6 Å²	136.6	75%	0.753	77%	0.772	S	S	*	*			trans	169.5	86.5	161.2	0	0	0	0	0	115
318	D	28.6	Very low	28.5	Very low	140 Å²	140	132.1 Å²	132.1	75%	0.749	76%	0.757	S	S	*	*			trans	-72.2	165.4	-175.4	-72.1	-59.8	0	0	0	117
319	N	29.2	Very low	28.7	Very low	146 Å²	146	133.9 Å²	133.9	78%	0.781	76%	0.76	S	S	*	*			trans	101.6	114.2	152.6	-55	-69.2	0	0	0	117.9
320	Q	34.8	Very low	28.8	Very low	197 Å²	197	131.1 Å²	131.1	92%	0.921	75%	0.75	S	S	*	*				-163.5	142.9	98.3	-101.3	168.3	27.4	0	0	113.1
321	T	25.9	Very low	28.8	Very low	126 Å²	126	133.2 Å²	133.2	77%	0.773	75%	0.75	S	S	*	*			trans	-88.6	150.3	175.8	47.6	0	0	0	0	111.9
322	E	28.4	Very low	28.9	Very low	191 Å²	191	131.2 Å²	131.2	89%	0.893	75%	0.75	S	S	*	*				-178.7	174.1	119	-103.3	-169.2	-172.6	0	0	113.9
323	S	28.1	Very low	29.3	Very low	112 Å²	112	133.5 Å²	133.5	78%	0.783	75%	0.752	S	S	*	*			trans	84.2	69.2	177.1	-166.7	0	0	0	0	118
324	M	24.9	Very low	29.4	Very low	190 Å²	190	131 Å²	131	94%	0.936	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-75	121	166.8	-67.4	161	61.9	0	0	112.3
325	L	26	Very low	29.4	Very low	163 Å²	163	128.7 Å²	128.7	85%	0.853	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-100.9	131.5	154.5	-98.7	159.4	0	0	0	108.6	V327	L325-V327 PolarHBondContact O-N 3.01Å
326	S	26.8	Very low	29.4	Very low	88 Å²	88	127 Å²	127	62%	0.615	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-72.5	117.2	-165	-172.3	0	0	0	0	113.3	D328	S326-D328 VanDerWaalsContact C-N 3.27Å; S326-D328 PolarHBondContact O-N 3.31Å
327	V	32	Very low	29.4	Very low	116 Å²	116	126.7 Å²	126.7	70%	0.703	70%	0.699	S	S	*	*	G	3₁₀ helix	trans	-70.3	-18	-176.4	-178.8	0	0	0	0	113	L325 N329 L330	L325-V327 PolarHBondContact O-N 3.01Å; V327-N329 VanDerWaalsContact C-N 3.29Å; V327-N329 PolarHBondContact O-N 3.39Å; V327-L330 PolarHBondContact O-N 3.38Å
328	D	30	Very low	29.3	Very low	98 Å²	98	126.7 Å²	126.7	52%	0.524	68%	0.684	S	S	.	*	G	3₁₀ helix	trans	-70.9	-15.7	-171.3	-78.3	-55.4	0	0	0	115.4	S326 R331	S326-D328 VanDerWaalsContact C-N 3.27Å; S326-D328 PolarHBondContact O-N 3.31Å; D328-R331 IonicContact OD1-CZ 2.78Å; D328-R331 IonicContact OD1-NH1 2.84Å; D328-R331 PolarHBondContact OD1-NH1 3.42Å; D328-R331 IonicContact OD1-NH2 2.76Å
329	N	31	Very low	29.3	Very low	157 Å²	157	126.4 Å²	126.4	84%	0.84	68%	0.682	S	S	*	*	G	3₁₀ helix	trans	-94.9	-3.6	179.5	-86.8	-12.3	0	0	0	115.1	V327	V327-N329 VanDerWaalsContact C-N 3.29Å; V327-N329 PolarHBondContact O-N 3.39Å
330	L	32.8	Very low	29.5	Very low	102 Å²	102	121.7 Å²	121.7	53%	0.534	66%	0.661	S	S	.	*			trans	-92.3	0.3	177.5	-84.1	162.3	0	0	0	114	V327 G332	V327-L330 PolarHBondContact O-N 3.38Å; L330-G332 PolarHBondContact O-N 2.83Å
331	R	29.2	Very low	29.7	Very low	206 Å²	206	117.5 Å²	117.5	78%	0.777	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.1	11.2	-178.9	-80.1	-177.2	166.9	140.4	3.6	116.2	D328	D328-R331 IonicContact OD1-CZ 2.78Å; D328-R331 IonicContact OD1-NH1 2.84Å; D328-R331 PolarHBondContact OD1-NH1 3.42Å; D328-R331 IonicContact OD1-NH2 2.76Å
332	G	30	Very low	30.6	Very low	59 Å²	59	118.1 Å²	118.1	61%	0.608	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.4	-5	-177	0	0	0	0	0	116.4	L330	L330-G332 PolarHBondContact O-N 2.83Å
333	H	34	Very low	31.8	Very low	165 Å²	165	113.9 Å²	113.9	76%	0.764	63%	0.627	S	S	*	*	S	Bend	trans	-125.7	27.8	-166.1	-66.1	-63	0	0	0	115.4
334	L	29.5	Very low	33.3	Very low	64 Å²	64	109.5 Å²	109.5	34%	0.335	60%	0.599	S	S	.	*	S	Bend	trans	-113	140.3	161.2	-78	117.4	0	0	0	109	P336 M337 M761 F762	L334-P336 WeakPolarHBondContact O-CD 3.01Å; L334-M337 HydrophobicContact CD2-CG 4.07Å; L334-M337 HydrophobicContact CD2-SD 4.19Å; L334-M761 HydrophobicContact CD1-CE 4.07Å; L334-M761 HydrophobicContact CD2-CE 3.75Å; L334-M761 HydrophobicContact CD2-SD 4.17Å; L334-M761 HydrophobicContact CG-CE 4.17Å; L334-F762 HydrophobicContact CD2-CZ 3.98Å
335	P	30.3	Very low	35.3	Very low	55 Å²	55	102.9 Å²	102.9	36%	0.357	57%	0.565	S	S	.	*	S	Bend	trans	-56.7	123.1	153.6	27.3	-30.9	0	0	0	105.7	M337 R512	P335-M337 PolarHBondContact O-N 3.38Å; P335-R512 VanDerWaalsContact C-NH2 3.29Å
336	P	26.7	Very low	37.7	Very low	82 Å²	82	98.6 Å²	98.6	53%	0.532	55%	0.546	S	S	.	.			trans	-48.2	109.5	-164	-0.6	-13.8	0	0	0	112.7	L334 V338 R512	L334-P336 WeakPolarHBondContact O-CD 3.01Å; P336-V338 VanDerWaalsContact C-N 3.26Å; P336-V338 PolarHBondContact O-N 2.89Å; P336-R512 PolarHBondContact O-NH2 3.13Å
337	M	29.6	Very low	40.2	Very low	130 Å²	130	94.4 Å²	94.4	64%	0.64	52%	0.517	S	S	*	.			trans	-53.8	108.5	148.1	-68.3	-171.2	84.4	0	0	104	L334 P335 N339	L334-M337 HydrophobicContact CD2-CG 4.07Å; L334-M337 HydrophobicContact CD2-SD 4.19Å; P335-M337 PolarHBondContact O-N 3.38Å; M337-N339 PolarHBondContact O-N 3.39Å; M337-N339 VanDerWaalsContact O-N 3.13Å
338	V	28.5	Very low	42.6	Very low	74 Å²	74	93.1 Å²	93.1	45%	0.448	51%	0.513	S	S	.	.			trans	-51.1	128.2	167.1	-174.2	0	0	0	0	104.3	P336 C340 C500	P336-V338 VanDerWaalsContact C-N 3.26Å; P336-V338 PolarHBondContact O-N 2.89Å; V338-C340 WeakPolarHBondContact CG1-SG 3.09Å; V338-C340 PolarHBondContact O-N 3.44Å; V338-C500 HydrophobicContact CG1-CB 4.48Å
339	N	26.7	Very low	45	Very low	133 Å²	133	90.7 Å²	90.7	71%	0.711	50%	0.5	S	S	*	.	S	Bend	trans	-73.8	68.3	-172.7	-170.2	6	0	0	0	109.4	M337 T341	M337-N339 PolarHBondContact O-N 3.39Å; M337-N339 VanDerWaalsContact O-N 3.13Å; N339-T341 VanDerWaalsContact C-N 3.3Å; N339-T341 PolarHBondContact O-N 3.01Å; N339-T341 WeakPolarHBondContact OD1-CG2 3.22Å; N339-T341 PolarHBondContact OD1-OG1 3.13Å; N339-T341 VanDerWaalsContact OD1-OG1 3.09Å
340	C	34.3	Very low	47	Very low	48 Å²	48	91.4 Å²	91.4	32%	0.324	50%	0.496	S	S	.	.			trans	-101	48.1	-177.1	-78.4	0	0	0	0	108.3	V338 N342 H343	V338-C340 WeakPolarHBondContact CG1-SG 3.09Å; V338-C340 PolarHBondContact O-N 3.44Å; C340-N342 PolarHBondContact O-N 3.32Å; C340-H343 VanDerWaalsContact CA-CD2 3.48Å; C340-H343 WeakPolarHBondContact CA-CD2 3.38Å
341	T	39.7	Very low	48.8	Very low	109 Å²	109	92.7 Å²	92.7	67%	0.669	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-0.5	-176	32	0	0	0	0	113.7	N339	N339-T341 VanDerWaalsContact C-N 3.3Å; N339-T341 PolarHBondContact O-N 3.01Å; N339-T341 WeakPolarHBondContact OD1-CG2 3.22Å; N339-T341 PolarHBondContact OD1-OG1 3.13Å; N339-T341 VanDerWaalsContact OD1-OG1 3.09Å
342	N	43.4	Very low	50.8	Low	139 Å²	139	86.5 Å²	86.5	74%	0.743	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-151.8	43.8	-177.9	-64.3	-76.8	0	0	0	114.1	C340	C340-N342 PolarHBondContact O-N 3.32Å
343	H	53.7	Low	52.7	Low	102 Å²	102	86 Å²	86	47%	0.472	46%	0.461	S	S	.	.			trans	-127.9	140.1	174.9	-50	-66.1	0	0	0	111.7	C340 S504	C340-H343 VanDerWaalsContact CA-CD2 3.48Å; C340-H343 WeakPolarHBondContact CA-CD2 3.38Å; H343-S504 CarbonylContact C-O 3.57Å; H343-S504 WeakPolarHBondContact CB-OG 3.41Å; H343-S504 VanDerWaalsContact O-O 3.13Å
344	G	60.7	Low	54.3	Low	19 Å²	19	78.2 Å²	78.2	20%	0.196	43%	0.425	C	S	.	.	S	Bend	trans	105.5	155.7	-157.6	0	0	0	0	0	111.2	I354	G344-I354 WeakPolarHBondContact CA-O 3.39Å
345	F	65.9	Low	56	Low	51 Å²	51	76.1 Å²	76.1	22%	0.224	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	117	173.1	176.6	-96	0	0	0	109.6	V353 I354 L359 S370 D371	F345-V353 CarbonylContact O-C 3.58Å; F345-V353 WeakPolarHBondContact O-CA 3.4Å; F345-I354 HydrophobicContact CB-CD1 4.43Å; F345-I354 HydrophobicContact CB-CG1 3.84Å; F345-I354 HydrophobicContact CD1-CD1 3.96Å; F345-I354 HydrophobicContact CD1-CG1 3.93Å; F345-I354 HydrophobicContact CG-CG1 4.37Å; F345-I354 PolarHBondContact N-O 2.9Å; F345-I354 PolarHBondContact O-N 2.92Å; F345-L359 HydrophobicContact CB-CB 4.5Å; F345-L359 HydrophobicContact CB-CD1 4.35Å; F345-L359 HydrophobicContact CB-CD2 4.43Å; F345-L359 HydrophobicContact CD1-CD1 3.96Å; F345-L359 HydrophobicContact CD2-CD1 3.63Å; F345-L359 HydrophobicContact CD2-CD2 3.96Å; F345-L359 HydrophobicContact CD2-CG 4.4Å; F345-L359 HydrophobicContact CE1-CD1 4.09Å; F345-L359 HydrophobicContact CE2-CD1 3.77Å; F345-L359 HydrophobicContact CG-CD1 3.72Å; F345-L359 HydrophobicContact CG-CD2 4.37Å; F345-L359 HydrophobicContact CZ-CD1 4Å; F345-S370 VanDerWaalsContact CZ-O 3.29Å; F345-S370 WeakPolarHBondContact CZ-O 3.13Å; F345-D371 HydrophobicContact CD1-CB 4.33Å; F345-D371 HydrophobicContact CE1-CB 4.1Å
346	T	76.2	Confident	57.6	Low	73 Å²	73	77.5 Å²	77.5	45%	0.448	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	120.5	172	-53.8	0	0	0	0	108.9	K350 V353	T346-K350 HydrophobicContact CG2-CB 4.32Å; T346-K350 HydrophobicContact CG2-CG 4.34Å; T346-V353 HydrophobicContact CG2-CG2 4.25Å
347	C	80.5	Confident	59.4	Low	1 Å²	1	74.9 Å²	74.9	1%	0.007	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-55.2	153	174.2	-55.5	0	0	0	0	110.7	D349 K350 K352 C366 S370	C347-D349 WeakPolarHBondContact CB-OD1 3.01Å; C347-D349 PolarHBondContact O-N 3.04Å; C347-K350 WeakPolarHBondContact O-CA 3.43Å; C347-K350 PolarHBondContact O-N 3.34Å; C347-K352 PolarHBondContact N-O 2.99Å; C347-K352 PolarHBondContact SG-O 2.8Å; C347-K352 VanDerWaalsContact SG-O 3.39Å; C347-C366 HydrophobicContact CB-CB 3.75Å; C347-C366 WeakPolarHBondContact CB-SG 2.92Å; C347-C366 WeakPolarHBondContact SG-CB 3.49Å; C347-C366 CovalentContact SG-SG 2.03Å; C347-C366 PolarHBondContact SG-SG 3.1Å; C347-S370 WeakPolarHBondContact CA-OG 3.43Å
348	S	82.3	Confident	61.6	Low	89 Å²	89	71.8 Å²	71.8	62%	0.622	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-29.6	-173.4	-67.7	0	0	0	0	112.9	K350 D368 S370	S348-K350 PolarHBondContact O-N 3.25Å; S348-D368 WeakPolarHBondContact CA-OD2 3.49Å; S348-D368 WeakPolarHBondContact CB-OD2 3.42Å; S348-D368 PolarHBondContact N-OD2 3.45Å; S348-S370 PolarHBondContact N-OG 3.41Å; S348-S370 VanDerWaalsContact OG-CB 3.27Å; S348-S370 WeakPolarHBondContact OG-CB 3.17Å
349	D	79.2	Confident	64	Low	47 Å²	47	70.5 Å²	70.5	25%	0.251	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-11.7	169.4	79	-9.8	0	0	0	115	C347 K351 D368	C347-D349 WeakPolarHBondContact CB-OD1 3.01Å; C347-D349 PolarHBondContact O-N 3.04Å; D349-K351 HydrophobicContact CB-CG 4.32Å; D349-K351 PolarHBondContact O-N 3.49Å; D349-K351 PolarHBondContact OD1-N 3.43Å; D349-K351 WeakPolarHBondContact OD2-CB 3.01Å; D349-K351 VanDerWaalsContact OD2-CD 3.26Å; D349-K351 WeakPolarHBondContact OD2-CD 3.37Å; D349-K351 WeakPolarHBondContact OD2-CG 3.31Å; D349-D368 PolarHBondContact N-OD2 2.9Å
350	K	73.1	Confident	66.9	Low	172 Å²	172	64.7 Å²	64.7	75%	0.748	35%	0.348	S	S	*	.	S	Bend	trans	60.3	15.3	-176.1	-52.8	178	-175.7	174.2	0	115.8	T346 C347 S348	T346-K350 HydrophobicContact CG2-CB 4.32Å; T346-K350 HydrophobicContact CG2-CG 4.34Å; C347-K350 WeakPolarHBondContact O-CA 3.43Å; C347-K350 PolarHBondContact O-N 3.34Å; S348-K350 PolarHBondContact O-N 3.25Å
351	K	71.8	Confident	69.2	Low	128 Å²	128	62.7 Å²	62.7	56%	0.557	33%	0.334	S	S	*	.	S	Bend	trans	-85.3	-25.7	-179.6	-60.8	-176.8	-168.1	159.4	0	113	D349	D349-K351 HydrophobicContact CB-CG 4.32Å; D349-K351 PolarHBondContact O-N 3.49Å; D349-K351 PolarHBondContact OD1-N 3.43Å; D349-K351 WeakPolarHBondContact OD2-CB 3.01Å; D349-K351 VanDerWaalsContact OD2-CD 3.26Å; D349-K351 WeakPolarHBondContact OD2-CD 3.37Å; D349-K351 WeakPolarHBondContact OD2-CG 3.31Å
352	K	70.9	Confident	71.4	Confident	76 Å²	76	58.4 Å²	58.4	33%	0.33	31%	0.312	S	S	.	.			trans	-133.9	146.6	-175.5	-173.1	174.6	-175.1	172.4	0	111.4	C347 I354 Q365	C347-K352 PolarHBondContact N-O 2.99Å; C347-K352 PolarHBondContact SG-O 2.8Å; C347-K352 VanDerWaalsContact SG-O 3.39Å; K352-I354 HydrophobicContact CD-CG2 4.16Å; K352-I354 HydrophobicContact CG-CG2 4.02Å; K352-Q365 WeakPolarHBondContact CD-O 3.33Å; K352-Q365 WeakPolarHBondContact CE-O 3.43Å; K352-Q365 PolarHBondContact NZ-O 3.48Å
353	V	70.4	Confident	73.4	Confident	50 Å²	50	55.9 Å²	55.9	30%	0.303	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	116.7	172	-176.8	0	0	0	0	107.9	F345 T346	F345-V353 CarbonylContact O-C 3.58Å; F345-V353 WeakPolarHBondContact O-CA 3.4Å; T346-V353 HydrophobicContact CG2-CG2 4.25Å
354	I	67.5	Low	75.1	Confident	1 Å²	1	54.9 Å²	54.9	1%	0.005	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	166.1	-177.3	67.6	169.8	0	0	0	111.2	G344 F345 K352 Q358 Q365 D371	G344-I354 WeakPolarHBondContact CA-O 3.39Å; F345-I354 HydrophobicContact CB-CD1 4.43Å; F345-I354 HydrophobicContact CB-CG1 3.84Å; F345-I354 HydrophobicContact CD1-CD1 3.96Å; F345-I354 HydrophobicContact CD1-CG1 3.93Å; F345-I354 HydrophobicContact CG-CG1 4.37Å; F345-I354 PolarHBondContact N-O 2.9Å; F345-I354 PolarHBondContact O-N 2.92Å; K352-I354 HydrophobicContact CD-CG2 4.16Å; K352-I354 HydrophobicContact CG-CG2 4.02Å; I354-Q358 HydrophobicContact CB-CB 4.3Å; I354-Q358 HydrophobicContact CD1-CB 3.98Å; I354-Q358 HydrophobicContact CG1-CB 4.43Å; I354-Q365 HydrophobicContact CG2-CB 3.92Å; I354-D371 HydrophobicContact CD1-CB 3.44Å; I354-D371 VanDerWaalsContact CD1-CB 3.44Å
355	S	64.2	Low	76.3	Confident	20 Å²	20	55.2 Å²	55.2	14%	0.14	30%	0.299	C	S	.	.			trans	-65.1	150.3	171.6	-175.9	0	0	0	0	111	A357 Q358 L359	S355-A357 PolarHBondContact O-N 2.96Å; S355-A357 PolarHBondContact OG-N 3.25Å; S355-Q358 WeakPolarHBondContact O-CB 3.4Å; S355-Q358 PolarHBondContact O-N 3.1Å; S355-L359 PolarHBondContact O-N 3.25Å
356	I	65.3	Low	77.2	Confident	83 Å²	83	52.9 Å²	52.9	43%	0.426	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-25.1	170.6	-60.6	172.4	0	0	0	110.7	Q358 L359 Q379	I356-Q358 VanDerWaalsContact C-N 3.27Å; I356-Q358 PolarHBondContact O-N 2.81Å; I356-L359 PolarHBondContact O-N 2.74Å; I356-Q379 PolarHBondContact O-NE2 3.05Å
357	A	64.7	Low	77.7	Confident	28 Å²	28	55.7 Å²	55.7	23%	0.231	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-19.4	174.1	0	0	0	0	0	113.9	S355 W480	S355-A357 PolarHBondContact O-N 2.96Å; S355-A357 PolarHBondContact OG-N 3.25Å; A357-W480 HydrophobicContact CB-CB 4.32Å
358	Q	75.8	Confident	78	Confident	64 Å²	64	58.8 Å²	58.8	30%	0.299	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-20.5	177.9	-70.9	171.8	-46.7	0	0	112	I354 S355 I356 C360 D361 Q365	I354-Q358 HydrophobicContact CB-CB 4.3Å; I354-Q358 HydrophobicContact CD1-CB 3.98Å; I354-Q358 HydrophobicContact CG1-CB 4.43Å; S355-Q358 WeakPolarHBondContact O-CB 3.4Å; S355-Q358 PolarHBondContact O-N 3.1Å; I356-Q358 VanDerWaalsContact C-N 3.27Å; I356-Q358 PolarHBondContact O-N 2.81Å; Q358-C360 PolarHBondContact O-N 2.72Å; Q358-D361 WeakPolarHBondContact O-CB 3.41Å; Q358-D361 PolarHBondContact O-N 2.75Å; Q358-Q365 HydrophobicContact CB-CG 4.27Å; Q358-Q365 HydrophobicContact CG-CG 4.43Å; Q358-Q365 PolarHBondContact O-OE1 3.34Å
359	L	79	Confident	78.3	Confident	47 Å²	47	55.6 Å²	55.6	25%	0.246	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	119.9	176.1	-179.7	66.1	0	0	0	110.8	F345 S355 I356 D371 Q379	F345-L359 HydrophobicContact CB-CB 4.5Å; F345-L359 HydrophobicContact CB-CD1 4.35Å; F345-L359 HydrophobicContact CB-CD2 4.43Å; F345-L359 HydrophobicContact CD1-CD1 3.96Å; F345-L359 HydrophobicContact CD2-CD1 3.63Å; F345-L359 HydrophobicContact CD2-CD2 3.96Å; F345-L359 HydrophobicContact CD2-CG 4.4Å; F345-L359 HydrophobicContact CE1-CD1 4.09Å; F345-L359 HydrophobicContact CE2-CD1 3.77Å; F345-L359 HydrophobicContact CG-CD1 3.72Å; F345-L359 HydrophobicContact CG-CD2 4.37Å; F345-L359 HydrophobicContact CZ-CD1 4Å; S355-L359 PolarHBondContact O-N 3.25Å; I356-L359 PolarHBondContact O-N 2.74Å; L359-D371 HydrophobicContact CD1-CB 4.28Å; L359-D371 WeakPolarHBondContact CD1-O 3.25Å; L359-Q379 WeakPolarHBondContact O-CG 3.39Å
360	C	86.5	Confident	78.7	Confident	11 Å²	11	53.8 Å²	53.8	7%	0.074	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.9	41.9	-179.2	-58.8	0	0	0	0	113.5	Q358 D371 E372 C375 Y377 C378 Q379 C393	Q358-C360 PolarHBondContact O-N 2.72Å; C360-D371 PolarHBondContact N-O 3.34Å; C360-D371 PolarHBondContact SG-O 3.3Å; C360-E372 WeakPolarHBondContact CA-OE1 3.3Å; C360-E372 PolarHBondContact N-OE1 2.87Å; C360-C375 HydrophobicContact CB-CB 3.8Å; C360-C375 WeakPolarHBondContact CB-SG 3.47Å; C360-C375 WeakPolarHBondContact SG-CA 2.97Å; C360-C375 WeakPolarHBondContact SG-CB 3.41Å; C360-C375 CovalentContact SG-SG 2.03Å; C360-C375 PolarHBondContact SG-SG 3.3Å; C360-Y377 WeakPolarHBondContact CB-O 3.37Å; C360-C378 CarbonylContact O-C 3.57Å; C360-C378 WeakPolarHBondContact O-CA 3.3Å; C360-Q379 PolarHBondContact O-N 3.39Å; C360-C393 PolarHBondContact O-SG 3.04Å; C360-C393 VanDerWaalsContact O-SG 3.41Å
361	D	82.1	Confident	79.4	Confident	6 Å²	6	45.6 Å²	45.6	3%	0.032	26%	0.255	C	S	.	.	S	Bend	trans	-100.5	8.6	178.7	92	-6.4	0	0	0	114.3	Q358 L363 Q365 E372 Q379 T380 R395	Q358-D361 WeakPolarHBondContact O-CB 3.41Å; Q358-D361 PolarHBondContact O-N 2.75Å; D361-L363 PolarHBondContact O-N 2.66Å; D361-L363 WeakPolarHBondContact OD1-CB 3.48Å; D361-L363 PolarHBondContact OD1-N 2.95Å; D361-Q365 PolarHBondContact OD1-NE2 2.96Å; D361-Q365 PolarHBondContact OD2-NE2 3.1Å; D361-E372 PolarHBondContact N-OE1 3.38Å; D361-Q379 HydrophobicContact CB-CB 4.17Å; D361-Q379 HydrophobicContact CB-CG 4.42Å; D361-T380 WeakPolarHBondContact O-CG2 3.2Å; D361-R395 PolarHBondContact O-NE 3.49Å; D361-R395 PolarHBondContact O-NH2 2.82Å; D361-R395 VanDerWaalsContact O-NH2 3.12Å; D361-R395 IonicContact OD1-NH2 3.81Å; D361-R395 IonicContact OD2-NH2 3.83Å; D361-R395 PolarHBondContact OD2-NH2 3.39Å
362	G	85.5	Confident	80.2	Confident	19 Å²	19	40.9 Å²	40.9	20%	0.196	23%	0.234	C	C	.	.	S	Bend	trans	78.8	-1.5	177.8	0	0	0	0	0	114.7	E372	G362-E372 WeakPolarHBondContact CA-OE2 3.45Å; G362-E372 VanDerWaalsContact N-CD 3.25Å; G362-E372 PolarHBondContact N-OE1 3.18Å; G362-E372 PolarHBondContact N-OE2 3.44Å
363	L	87	Confident	80.9	Confident	86 Å²	86	39.5 Å²	39.5	45%	0.45	24%	0.237	S	C	.	.	S	Bend	trans	-117.3	141.6	173.9	-59	176.4	0	0	0	110	D361 Q365 E372 R395	D361-L363 PolarHBondContact O-N 2.66Å; D361-L363 WeakPolarHBondContact OD1-CB 3.48Å; D361-L363 PolarHBondContact OD1-N 2.95Å; L363-Q365 VanDerWaalsContact O-CD 3.29Å; L363-Q365 PolarHBondContact O-N 3.08Å; L363-Q365 PolarHBondContact O-NE2 3.02Å; L363-Q365 VanDerWaalsContact O-NE2 3.07Å; L363-Q365 PolarHBondContact O-OE1 2.02Å; L363-E372 WeakPolarHBondContact O-CG 3.22Å; L363-R395 VanDerWaalsContact CD1-CZ 3.44Å
364	S	89	Confident	81.5	Confident	82 Å²	82	42 Å²	42	57%	0.573	25%	0.249	S	C	*	.			trans	-80.8	101.7	175.5	-162.4	0	0	0	0	109.5	C366 G369	S364-C366 PolarHBondContact OG-O 2.88Å; S364-G369 WeakPolarHBondContact OG-CA 3.5Å
365	Q	86.3	Confident	82.3	Confident	26 Å²	26	42 Å²	42	12%	0.121	25%	0.249	C	C	.	.			trans	-87.4	-30.8	167.7	-57.5	84	29.2	0	0	111.9	K352 I354 Q358 D361 L363 D371	K352-Q365 WeakPolarHBondContact CD-O 3.33Å; K352-Q365 WeakPolarHBondContact CE-O 3.43Å; K352-Q365 PolarHBondContact NZ-O 3.48Å; I354-Q365 HydrophobicContact CG2-CB 3.92Å; Q358-Q365 HydrophobicContact CB-CG 4.27Å; Q358-Q365 HydrophobicContact CG-CG 4.43Å; Q358-Q365 PolarHBondContact O-OE1 3.34Å; D361-Q365 PolarHBondContact OD1-NE2 2.96Å; D361-Q365 PolarHBondContact OD2-NE2 3.1Å; L363-Q365 VanDerWaalsContact O-CD 3.29Å; L363-Q365 PolarHBondContact O-N 3.08Å; L363-Q365 PolarHBondContact O-NE2 3.02Å; L363-Q365 VanDerWaalsContact O-NE2 3.07Å; L363-Q365 PolarHBondContact O-OE1 2.02Å; Q365-D371 VanDerWaalsContact CA-OD2 3.3Å; Q365-D371 WeakPolarHBondContact CA-OD2 3.29Å; Q365-D371 WeakPolarHBondContact CB-OD2 3.35Å; Q365-D371 PolarHBondContact N-OD2 2.81Å; Q365-D371 PolarHBondContact OE1-OD2 3.05Å
366	C	84.3	Confident	83.1	Confident	1 Å²	1	47.3 Å²	47.3	1%	0.007	28%	0.281	C	S	.	.	S	Bend	trans	-76.3	137.4	170.3	-65.5	0	0	0	0	109.9	C347 S364 D368 G369 D371	C347-C366 HydrophobicContact CB-CB 3.75Å; C347-C366 WeakPolarHBondContact CB-SG 2.92Å; C347-C366 WeakPolarHBondContact SG-CB 3.49Å; C347-C366 CovalentContact SG-SG 2.03Å; C347-C366 PolarHBondContact SG-SG 3.1Å; S364-C366 PolarHBondContact OG-O 2.88Å; C366-D368 WeakPolarHBondContact CB-OD1 3.28Å; C366-D368 PolarHBondContact O-N 3.4Å; C366-G369 PolarHBondContact O-N 3.38Å; C366-D371 HydrophobicContact CB-CB 4.39Å; C366-D371 PolarHBondContact N-OD2 2.77Å
367	D	87.3	Confident	83.7	Confident	132 Å²	132	51.4 Å²	51.4	71%	0.706	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-20.4	179	-58.4	-30.4	0	0	0	112.2
368	D	86.4	Confident	84.6	Confident	67 Å²	67	50.3 Å²	50.3	36%	0.358	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-1.2	173.9	68.8	-1.3	0	0	0	113.9	S348 D349 C366 S370	S348-D368 WeakPolarHBondContact CA-OD2 3.49Å; S348-D368 WeakPolarHBondContact CB-OD2 3.42Å; S348-D368 PolarHBondContact N-OD2 3.45Å; D349-D368 PolarHBondContact N-OD2 2.9Å; C366-D368 WeakPolarHBondContact CB-OD1 3.28Å; C366-D368 PolarHBondContact O-N 3.4Å; D368-S370 VanDerWaalsContact CG-OG 3.25Å; D368-S370 PolarHBondContact O-N 2.98Å; D368-S370 WeakPolarHBondContact OD1-CB 3.35Å; D368-S370 PolarHBondContact OD1-N 2.98Å; D368-S370 PolarHBondContact OD1-OG 3.43Å; D368-S370 PolarHBondContact OD2-OG 2.78Å
369	G	87.3	Confident	84.5	Confident	22 Å²	22	49.8 Å²	49.8	23%	0.227	28%	0.28	C	S	.	.			trans	60.5	22.7	-175.7	0	0	0	0	0	114.7	S364 C366 D371 E372 A373	S364-G369 WeakPolarHBondContact OG-CA 3.5Å; C366-G369 PolarHBondContact O-N 3.38Å; G369-D371 VanDerWaalsContact C-N 3.26Å; G369-D371 WeakPolarHBondContact CA-OD1 3.4Å; G369-D371 PolarHBondContact O-N 3.31Å; G369-E372 PolarHBondContact O-N 2.61Å; G369-A373 PolarHBondContact O-N 3.23Å
370	S	89.2	Confident	84.3	Confident	9 Å²	9	48 Å²	48	6%	0.063	27%	0.271	C	S	.	.			trans	-73.5	-15	-176.6	58.6	0	0	0	0	114.8	F345 C347 S348 D368 A373	F345-S370 VanDerWaalsContact CZ-O 3.29Å; F345-S370 WeakPolarHBondContact CZ-O 3.13Å; C347-S370 WeakPolarHBondContact CA-OG 3.43Å; S348-S370 PolarHBondContact N-OG 3.41Å; S348-S370 VanDerWaalsContact OG-CB 3.27Å; S348-S370 WeakPolarHBondContact OG-CB 3.17Å; D368-S370 VanDerWaalsContact CG-OG 3.25Å; D368-S370 PolarHBondContact O-N 2.98Å; D368-S370 WeakPolarHBondContact OD1-CB 3.35Å; D368-S370 PolarHBondContact OD1-N 2.98Å; D368-S370 PolarHBondContact OD1-OG 3.43Å; D368-S370 PolarHBondContact OD2-OG 2.78Å; S370-A373 WeakPolarHBondContact O-CB 3.38Å; S370-A373 PolarHBondContact O-N 3.44Å
371	D	86.1	Confident	83.7	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.274	C	S	.	.	S	Bend	trans	-71.9	-40.9	169.5	47.2	-2.4	0	0	0	113	F345 I354 L359 C360 Q365 C366 G369 A373	F345-D371 HydrophobicContact CD1-CB 4.33Å; F345-D371 HydrophobicContact CE1-CB 4.1Å; I354-D371 HydrophobicContact CD1-CB 3.44Å; I354-D371 VanDerWaalsContact CD1-CB 3.44Å; L359-D371 HydrophobicContact CD1-CB 4.28Å; L359-D371 WeakPolarHBondContact CD1-O 3.25Å; C360-D371 PolarHBondContact N-O 3.34Å; C360-D371 PolarHBondContact SG-O 3.3Å; Q365-D371 VanDerWaalsContact CA-OD2 3.3Å; Q365-D371 WeakPolarHBondContact CA-OD2 3.29Å; Q365-D371 WeakPolarHBondContact CB-OD2 3.35Å; Q365-D371 PolarHBondContact N-OD2 2.81Å; Q365-D371 PolarHBondContact OE1-OD2 3.05Å; C366-D371 HydrophobicContact CB-CB 4.39Å; C366-D371 PolarHBondContact N-OD2 2.77Å; G369-D371 VanDerWaalsContact C-N 3.26Å; G369-D371 WeakPolarHBondContact CA-OD1 3.4Å; G369-D371 PolarHBondContact O-N 3.31Å; D371-A373 PolarHBondContact O-N 3.29Å
372	E	89.8	Confident	83.7	Confident	28 Å²	28	48.2 Å²	48.2	13%	0.131	27%	0.273	C	S	.	.	S	Bend	trans	-85.9	4.5	171.2	-66.1	-56.5	126.4	0	0	112.9	C360 D361 G362 L363 G369 K386	C360-E372 WeakPolarHBondContact CA-OE1 3.3Å; C360-E372 PolarHBondContact N-OE1 2.87Å; D361-E372 PolarHBondContact N-OE1 3.38Å; G362-E372 WeakPolarHBondContact CA-OE2 3.45Å; G362-E372 VanDerWaalsContact N-CD 3.25Å; G362-E372 PolarHBondContact N-OE1 3.18Å; G362-E372 PolarHBondContact N-OE2 3.44Å; L363-E372 WeakPolarHBondContact O-CG 3.22Å; G369-E372 PolarHBondContact O-N 2.61Å; E372-K386 PolarHBondContact O-NZ 3.27Å
373	A	85.6	Confident	83.8	Confident	47 Å²	47	49.6 Å²	49.6	39%	0.388	28%	0.28	S	S	.	.	S	Bend	trans	-89.2	141.3	172.3	0	0	0	0	0	111.3	G369 S370 D371 C375	G369-A373 PolarHBondContact O-N 3.23Å; S370-A373 WeakPolarHBondContact O-CB 3.38Å; S370-A373 PolarHBondContact O-N 3.44Å; D371-A373 PolarHBondContact O-N 3.29Å; A373-C375 VanDerWaalsContact C-N 3.27Å; A373-C375 PolarHBondContact O-N 2.03Å
374	N	82.1	Confident	83.9	Confident	102 Å²	102	45.9 Å²	45.9	55%	0.545	26%	0.261	S	S	.	.	S	Bend	trans	65.2	19.1	169.8	-157.9	71.8	0	0	0	116.6	T376 K390	N374-T376 PolarHBondContact O-N 3.2Å; N374-K390 HydrophobicContact CB-CD 4.28Å; N374-K390 WeakPolarHBondContact OD1-CD 3.44Å; N374-K390 WeakPolarHBondContact OD1-CE 3.34Å; N374-K390 PolarHBondContact OD1-NZ 2.79Å; N374-K390 VanDerWaalsContact OD1-NZ 3.08Å
375	C	84.1	Confident	83.9	Confident	2 Å²	2	49.1 Å²	49.1	1%	0.014	26%	0.264	C	S	.	.			trans	-56.8	121.3	177.8	-60.7	0	0	0	0	113.6	C360 A373 L391	C360-C375 HydrophobicContact CB-CB 3.8Å; C360-C375 WeakPolarHBondContact CB-SG 3.47Å; C360-C375 WeakPolarHBondContact SG-CA 2.97Å; C360-C375 WeakPolarHBondContact SG-CB 3.41Å; C360-C375 CovalentContact SG-SG 2.03Å; C360-C375 PolarHBondContact SG-SG 3.3Å; A373-C375 VanDerWaalsContact C-N 3.27Å; A373-C375 PolarHBondContact O-N 2.03Å; C375-L391 HydrophobicContact CB-CB 4.31Å; C375-L391 PolarHBondContact O-N 2.92Å
376	T	82.2	Confident	83.8	Confident	131 Å²	131	50.5 Å²	50.5	80%	0.804	27%	0.27	S	S	*	.	S	Bend	trans	-95.9	-20.5	172.1	54	0	0	0	0	112.6	N374	N374-T376 PolarHBondContact O-N 3.2Å
377	Y	78.2	Confident	83.8	Confident	170 Å²	170	55.9 Å²	55.9	67%	0.667	31%	0.308	S	S	*	.	S	Bend	trans	-145.5	152.4	174.8	179	-107.2	0	0	0	107.3	C360	C360-Y377 WeakPolarHBondContact CB-O 3.37Å
378	C	82.9	Confident	83.7	Confident	4 Å²	4	53.9 Å²	53.9	3%	0.027	30%	0.297	C	S	.	.			trans	-112.6	139.7	177.1	-66.6	0	0	0	0	109.6	C360 S383 C393	C360-C378 CarbonylContact O-C 3.57Å; C360-C378 WeakPolarHBondContact O-CA 3.3Å; C378-S383 VanDerWaalsContact SG-CB 3.52Å; C378-C393 VanDerWaalsContact CA-SG 3.52Å; C378-C393 HydrophobicContact CB-CB 3.68Å; C378-C393 WeakPolarHBondContact CB-SG 3.24Å; C378-C393 WeakPolarHBondContact SG-CA 3.38Å; C378-C393 WeakPolarHBondContact SG-CB 3.45Å; C378-C393 CovalentContact SG-SG 2.03Å; C378-C393 PolarHBondContact SG-SG 3.38Å
379	Q	73.8	Confident	83.5	Confident	53 Å²	53	53.6 Å²	53.6	25%	0.248	31%	0.31	C	S	.	.	S	Bend	trans	-67.5	-31.4	166.7	-54.8	-70.9	5.4	0	0	110.1	I356 L359 C360 D361	I356-Q379 PolarHBondContact O-NE2 3.05Å; L359-Q379 WeakPolarHBondContact O-CG 3.39Å; C360-Q379 PolarHBondContact O-N 3.39Å; D361-Q379 HydrophobicContact CB-CB 4.17Å; D361-Q379 HydrophobicContact CB-CG 4.42Å
380	T	75.2	Confident	83.5	Confident	11 Å²	11	55.8 Å²	55.8	7%	0.067	31%	0.313	C	S	.	.	S	Bend	trans	-74.6	153.4	174.8	64.8	0	0	0	0	113	D361 F382 L394 R395	D361-T380 WeakPolarHBondContact O-CG2 3.2Å; T380-F382 PolarHBondContact OG1-O 3.49Å; T380-L394 WeakPolarHBondContact CB-O 3.36Å; T380-L394 PolarHBondContact OG1-N 3.19Å; T380-L394 PolarHBondContact OG1-O 3.03Å; T380-R395 HydrophobicContact CG2-CG 3.9Å
381	S	73.4	Confident	83.4	Confident	20 Å²	20	56.6 Å²	56.6	14%	0.14	32%	0.317	C	S	.	.	S	Bend	trans	-58.2	-40.3	173	-71.4	0	0	0	0	114.7	W440 H447	S381-W440 VanDerWaalsContact C-CH2 3.5Å; S381-W440 VanDerWaalsContact CA-CZ2 3.44Å; S381-W440 WeakPolarHBondContact O-CH2 3.39Å; S381-W440 WeakPolarHBondContact O-CZ2 3.43Å; S381-W440 PolarHBondContact OG-NE1 2.9Å; S381-H447 VanDerWaalsContact CB-CD2 3.44Å; S381-H447 WeakPolarHBondContact CB-CD2 3.32Å; S381-H447 WeakPolarHBondContact CB-NE2 3.16Å; S381-H447 PolarHBondContact OG-NE2 2.95Å
382	F	81.6	Confident	83.6	Confident	1 Å²	1	59.6 Å²	59.6	0%	0.004	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	138.5	-176.5	-57.2	-81.6	0	0	0	111.8	T380 L394 I399 Y417 I436 W440 H447	T380-F382 PolarHBondContact OG1-O 3.49Å; F382-L394 HydrophobicContact CB-CB 3.87Å; F382-L394 PolarHBondContact O-N 3.3Å; F382-I399 HydrophobicContact CB-CD1 3.95Å; F382-I399 HydrophobicContact CB-CG1 4.22Å; F382-I399 HydrophobicContact CD1-CD1 3.78Å; F382-I399 HydrophobicContact CD1-CG1 3.71Å; F382-I399 HydrophobicContact CD2-CG1 3.86Å; F382-I399 HydrophobicContact CE1-CD1 4.35Å; F382-I399 HydrophobicContact CE1-CG1 3.89Å; F382-I399 HydrophobicContact CE1-CG2 4.23Å; F382-I399 HydrophobicContact CE2-CG1 4.04Å; F382-I399 HydrophobicContact CG-CD1 3.86Å; F382-I399 HydrophobicContact CG-CG1 3.69Å; F382-I399 HydrophobicContact CZ-CG1 4.05Å; F382-Y417 HydrophobicContact CD1-CD1 4.06Å; F382-Y417 AromaticContact CD1-CD2 3.98Å; F382-Y417 HydrophobicContact CD1-CD2 3.98Å; F382-Y417 AromaticContact CD1-CE1 3.81Å; F382-Y417 HydrophobicContact CD1-CE1 3.81Å; F382-Y417 AromaticContact CD1-CE2 3.74Å; F382-Y417 HydrophobicContact CD1-CE2 3.74Å; F382-Y417 HydrophobicContact CD1-CG 4.13Å; F382-Y417 AromaticContact CD1-CZ 3.64Å; F382-Y417 AromaticContact CE1-CD1 3.63Å; F382-Y417 HydrophobicContact CE1-CD1 3.63Å; F382-Y417 HydrophobicContact CE1-CD2 4.15Å; F382-Y417 AromaticContact CE1-CE1 3.75Å; F382-Y417 HydrophobicContact CE1-CE1 3.75Å; F382-Y417 HydrophobicContact CE1-CE2 4.28Å; F382-Y417 AromaticContact CE1-CG 3.83Å; F382-Y417 HydrophobicContact CE1-CG 3.83Å; F382-I436 HydrophobicContact CZ-CG2 4Å; F382-W440 HydrophobicContact CD1-CH2 4.29Å; F382-W440 AromaticContact CD1-CZ3 3.92Å; F382-W440 HydrophobicContact CD1-CZ3 3.92Å; F382-W440 HydrophobicContact CE1-CE3 4.41Å; F382-W440 HydrophobicContact CE1-CH2 4.34Å; F382-W440 AromaticContact CE1-CZ3 3.55Å; F382-W440 HydrophobicContact CE1-CZ3 3.55Å; F382-W440 HydrophobicContact CE2-CE3 4.47Å; F382-W440 HydrophobicContact CE2-CZ3 4.18Å; F382-W440 HydrophobicContact CG-CZ3 4.39Å; F382-W440 HydrophobicContact CZ-CE3 4.13Å; F382-W440 AromaticContact CZ-CZ3 3.69Å; F382-W440 HydrophobicContact CZ-CZ3 3.69Å; F382-H447 HydrophobicContact CE2-CB 4.13Å; F382-H447 AromaticContact CE2-CD2 3.58Å; F382-H447 HydrophobicContact CZ-CB 4.37Å
383	S	88.4	Confident	83.6	Confident	47 Å²	47	58.3 Å²	58.3	33%	0.329	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	154.7	171.6	61.1	0	0	0	0	112	C378 K392	C378-S383 VanDerWaalsContact SG-CB 3.52Å; S383-K392 CarbonylContact C-O 3.55Å; S383-K392 WeakPolarHBondContact CA-O 3.37Å; S383-K392 VanDerWaalsContact CB-O 3.31Å; S383-K392 WeakPolarHBondContact CB-O 3.5Å
384	C	89.6	Confident	83.7	Confident	8 Å²	8	56.2 Å²	56.2	5%	0.054	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	158.3	172.5	53.5	0	0	0	0	111.6	L391 K392 C406 S410	C384-L391 CarbonylContact O-C 3.47Å; C384-L391 WeakPolarHBondContact O-CA 3.3Å; C384-K392 PolarHBondContact N-O 3.22Å; C384-K392 PolarHBondContact O-N 3.05Å; C384-C406 HydrophobicContact CB-CB 3.72Å; C384-C406 WeakPolarHBondContact CB-SG 3.34Å; C384-C406 WeakPolarHBondContact SG-CB 3.48Å; C384-C406 CovalentContact SG-SG 2.03Å; C384-C406 PolarHBondContact SG-SG 2.97Å; C384-S410 WeakPolarHBondContact CB-OG 3.46Å
385	K	87.7	Confident	83.9	Confident	150 Å²	150	53.5 Å²	53.5	65%	0.652	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92	119.1	-174.7	-71	177.1	-179.7	176.8	0	110.2	K390 L391	K385-K390 WeakPolarHBondContact CA-O 3.15Å; K385-L391 HydrophobicContact CG-CD2 3.94Å
386	K	85.8	Confident	83.7	Confident	55 Å²	55	53.9 Å²	53.9	24%	0.239	29%	0.292	C	S	.	.			trans	-66.8	158.5	167.8	-64.5	174.5	-176.1	167.3	0	109.7	E372 D388 G389 K390 L391 K392	E372-K386 PolarHBondContact O-NZ 3.27Å; K386-D388 WeakPolarHBondContact CB-OD1 3.34Å; K386-D388 PolarHBondContact O-N 3.42Å; K386-G389 PolarHBondContact O-N 2.92Å; K386-K390 PolarHBondContact N-O 2.95Å; K386-L391 PolarHBondContact NZ-O 3.12Å; K386-K392 HydrophobicContact CG-CB 4.31Å
387	S	84.1	Confident	83.7	Confident	115 Å²	115	51.6 Å²	51.6	80%	0.804	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-19.5	179.4	-62.9	0	0	0	0	114.4	G389 E407	S387-G389 VanDerWaalsContact C-N 3.31Å; S387-E407 WeakPolarHBondContact CB-OE2 3.13Å; S387-E407 PolarHBondContact N-OE2 3.42Å; S387-E407 PolarHBondContact OG-OE2 2.76Å
388	D	83.5	Confident	84	Confident	90 Å²	90	45 Å²	45	48%	0.481	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	2.5	174.9	73.1	-11.3	0	0	0	114.1	K386 K390	K386-D388 WeakPolarHBondContact CB-OD1 3.34Å; K386-D388 PolarHBondContact O-N 3.42Å; D388-K390 VanDerWaalsContact C-N 3.34Å; D388-K390 VanDerWaalsContact OD1-CB 3.31Å; D388-K390 WeakPolarHBondContact OD1-CB 3.49Å; D388-K390 WeakPolarHBondContact OD1-CG 3.46Å; D388-K390 PolarHBondContact OD1-N 3.07Å; D388-K390 VanDerWaalsContact OD1-N 3.09Å; D388-K390 WeakPolarHBondContact OD2-CD 3.46Å; D388-K390 WeakPolarHBondContact OD2-CE 3.18Å; D388-K390 IonicContact OD2-NZ 2.74Å; D388-K390 PolarHBondContact OD2-NZ 2.9Å
389	G	83.7	Confident	84.2	Confident	60 Å²	60	45.1 Å²	45.1	62%	0.619	26%	0.258	S	S	*	.	S	Bend	trans	85.8	-1	179.6	0	0	0	0	0	114.9	K386 S387	K386-G389 PolarHBondContact O-N 2.92Å; S387-G389 VanDerWaalsContact C-N 3.31Å
390	K	86.3	Confident	84.8	Confident	68 Å²	68	44.6 Å²	44.6	30%	0.296	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-89.8	168.5	179.2	-51	-175.9	-156.5	143.6	0	111	N374 K385 K386 D388	N374-K390 HydrophobicContact CB-CD 4.28Å; N374-K390 WeakPolarHBondContact OD1-CD 3.44Å; N374-K390 WeakPolarHBondContact OD1-CE 3.34Å; N374-K390 PolarHBondContact OD1-NZ 2.79Å; N374-K390 VanDerWaalsContact OD1-NZ 3.08Å; K385-K390 WeakPolarHBondContact CA-O 3.15Å; K386-K390 PolarHBondContact N-O 2.95Å; D388-K390 VanDerWaalsContact C-N 3.34Å; D388-K390 VanDerWaalsContact OD1-CB 3.31Å; D388-K390 WeakPolarHBondContact OD1-CB 3.49Å; D388-K390 WeakPolarHBondContact OD1-CG 3.46Å; D388-K390 PolarHBondContact OD1-N 3.07Å; D388-K390 VanDerWaalsContact OD1-N 3.09Å; D388-K390 WeakPolarHBondContact OD2-CD 3.46Å; D388-K390 WeakPolarHBondContact OD2-CE 3.18Å; D388-K390 IonicContact OD2-NZ 2.74Å; D388-K390 PolarHBondContact OD2-NZ 2.9Å
391	L	88	Confident	85.3	Confident	27 Å²	27	47 Å²	47	14%	0.141	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	144.1	179.7	-58.3	179	0	0	0	111.6	C375 C384 K385 K386	C375-L391 HydrophobicContact CB-CB 4.31Å; C375-L391 PolarHBondContact O-N 2.92Å; C384-L391 CarbonylContact O-C 3.47Å; C384-L391 WeakPolarHBondContact O-CA 3.3Å; K385-L391 HydrophobicContact CG-CD2 3.94Å; K386-L391 PolarHBondContact NZ-O 3.12Å
392	K	90.4	Very high	85.8	Confident	62 Å²	62	48.7 Å²	48.7	27%	0.27	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	126	149.9	-172	-177.5	170.8	-173.5	0	106.2	S383 C384 K386 L394 D405	S383-K392 CarbonylContact C-O 3.55Å; S383-K392 WeakPolarHBondContact CA-O 3.37Å; S383-K392 VanDerWaalsContact CB-O 3.31Å; S383-K392 WeakPolarHBondContact CB-O 3.5Å; C384-K392 PolarHBondContact N-O 3.22Å; C384-K392 PolarHBondContact O-N 3.05Å; K386-K392 HydrophobicContact CG-CB 4.31Å; K392-L394 HydrophobicContact CD-CD2 4.06Å; K392-L394 HydrophobicContact CG-CD2 4.33Å; K392-D405 VanDerWaalsContact CD-O 3.31Å; K392-D405 WeakPolarHBondContact CD-O 3.27Å; K392-D405 PolarHBondContact NZ-O 3.45Å; K392-D405 IonicContact NZ-OD1 3.19Å; K392-D405 PolarHBondContact NZ-OD1 3.43Å
393	C	90	Very high	86.2	Confident	2 Å²	2	53.3 Å²	53.3	1%	0.014	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	141.1	174.9	-51.4	0	0	0	0	108.9	C360 C378	C360-C393 PolarHBondContact O-SG 3.04Å; C360-C393 VanDerWaalsContact O-SG 3.41Å; C378-C393 VanDerWaalsContact CA-SG 3.52Å; C378-C393 HydrophobicContact CB-CB 3.68Å; C378-C393 WeakPolarHBondContact CB-SG 3.24Å; C378-C393 WeakPolarHBondContact SG-CA 3.38Å; C378-C393 WeakPolarHBondContact SG-CB 3.45Å; C378-C393 CovalentContact SG-SG 2.03Å; C378-C393 PolarHBondContact SG-SG 3.38Å
394	L	87.5	Confident	86.2	Confident	3 Å²	3	56.6 Å²	56.6	2%	0.016	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	153	-177.1	-66.9	-176	0	0	0	110.6	T380 F382 K392 D398 I399 D405 C406 D411	T380-L394 WeakPolarHBondContact CB-O 3.36Å; T380-L394 PolarHBondContact OG1-N 3.19Å; T380-L394 PolarHBondContact OG1-O 3.03Å; F382-L394 HydrophobicContact CB-CB 3.87Å; F382-L394 PolarHBondContact O-N 3.3Å; K392-L394 HydrophobicContact CD-CD2 4.06Å; K392-L394 HydrophobicContact CG-CD2 4.33Å; L394-D398 HydrophobicContact CB-CB 4.19Å; L394-D398 HydrophobicContact CD2-CB 4.01Å; L394-D398 HydrophobicContact CG-CB 4.47Å; L394-I399 HydrophobicContact CD1-CD1 3.9Å; L394-D405 HydrophobicContact CD2-CB 4.03Å; L394-C406 VanDerWaalsContact CD1-SG 3.53Å; L394-D411 HydrophobicContact CD1-CB 4.04Å
395	R	85.6	Confident	86.2	Confident	45 Å²	45	58.6 Å²	58.6	17%	0.17	34%	0.338	C	S	.	.			trans	-103.5	170.4	170.7	-65.8	-167.2	174.5	-143.6	3.9	111.1	D361 L363 T380 S397 D398	D361-R395 PolarHBondContact O-NE 3.49Å; D361-R395 PolarHBondContact O-NH2 2.82Å; D361-R395 VanDerWaalsContact O-NH2 3.12Å; D361-R395 IonicContact OD1-NH2 3.81Å; D361-R395 IonicContact OD2-NH2 3.83Å; D361-R395 PolarHBondContact OD2-NH2 3.39Å; L363-R395 VanDerWaalsContact CD1-CZ 3.44Å; T380-R395 HydrophobicContact CG2-CG 3.9Å; R395-S397 PolarHBondContact O-N 2.89Å; R395-D398 PolarHBondContact N-OD2 2.87Å; R395-D398 WeakPolarHBondContact O-CB 3.33Å; R395-D398 PolarHBondContact O-N 2.98Å
396	G	79.3	Confident	86.3	Confident	9 Å²	9	51.7 Å²	51.7	9%	0.093	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-60.7	-27.1	-177.6	0	0	0	0	0	114.8	D398 I399	G396-D398 PolarHBondContact O-N 3.21Å; G396-I399 PolarHBondContact O-N 2.9Å
397	S	82.5	Confident	86.4	Confident	83 Å²	83	55 Å²	55	58%	0.58	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-61.5	-19.2	170.9	49.1	0	0	0	0	114.4	R395 N401	R395-S397 PolarHBondContact O-N 2.89Å; S397-N401 WeakPolarHBondContact O-CB 3.34Å; S397-N401 PolarHBondContact O-ND2 2.97Å
398	D	85.9	Confident	86.5	Confident	33 Å²	33	54 Å²	54	18%	0.176	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-103.1	11.5	-169.6	-40.5	-26.4	0	0	0	111.2	L394 R395 G396 N401	L394-D398 HydrophobicContact CB-CB 4.19Å; L394-D398 HydrophobicContact CD2-CB 4.01Å; L394-D398 HydrophobicContact CG-CB 4.47Å; R395-D398 PolarHBondContact N-OD2 2.87Å; R395-D398 WeakPolarHBondContact O-CB 3.33Å; R395-D398 PolarHBondContact O-N 2.98Å; G396-D398 PolarHBondContact O-N 3.21Å; D398-N401 WeakPolarHBondContact CA-ND2 3.46Å
399	I	85.4	Confident	86.7	Confident	6 Å²	6	54.9 Å²	54.9	3%	0.031	31%	0.31	C	S	.	.	S	Bend	trans	-121.5	121.8	-172.6	-59.3	-64.2	0	0	0	109.7	F382 L394 G396 N401 D411 Y417 V434	F382-I399 HydrophobicContact CB-CD1 3.95Å; F382-I399 HydrophobicContact CB-CG1 4.22Å; F382-I399 HydrophobicContact CD1-CD1 3.78Å; F382-I399 HydrophobicContact CD1-CG1 3.71Å; F382-I399 HydrophobicContact CD2-CG1 3.86Å; F382-I399 HydrophobicContact CE1-CD1 4.35Å; F382-I399 HydrophobicContact CE1-CG1 3.89Å; F382-I399 HydrophobicContact CE1-CG2 4.23Å; F382-I399 HydrophobicContact CE2-CG1 4.04Å; F382-I399 HydrophobicContact CG-CD1 3.86Å; F382-I399 HydrophobicContact CG-CG1 3.69Å; F382-I399 HydrophobicContact CZ-CG1 4.05Å; L394-I399 HydrophobicContact CD1-CD1 3.9Å; G396-I399 PolarHBondContact O-N 2.9Å; I399-N401 PolarHBondContact O-N 3.17Å; I399-D411 HydrophobicContact CD1-CB 4.24Å; I399-Y417 HydrophobicContact CD1-CD2 4.31Å; I399-Y417 HydrophobicContact CG2-CD2 4.29Å; I399-Y417 HydrophobicContact CG2-CG 4.17Å; I399-V434 HydrophobicContact CG2-CG1 4.48Å
400	C	86.5	Confident	87	Confident	41 Å²	41	52.7 Å²	52.7	28%	0.277	29%	0.285	S	S	.	.	S	Bend	trans	56.9	31.5	-176.9	-39.9	0	0	0	0	113.2	D411 E412 C418 V434	C400-D411 PolarHBondContact N-O 2.83Å; C400-E412 WeakPolarHBondContact CA-OE1 3.37Å; C400-E412 PolarHBondContact N-OE1 3.31Å; C400-E412 VanDerWaalsContact N-OE1 3.13Å; C400-C418 VanDerWaalsContact CA-SG 3.57Å; C400-C418 HydrophobicContact CB-CB 4.06Å; C400-C418 WeakPolarHBondContact CB-SG 3.39Å; C400-C418 WeakPolarHBondContact SG-CA 3.04Å; C400-C418 WeakPolarHBondContact SG-CB 3.44Å; C400-C418 PolarHBondContact SG-N 2.96Å; C400-C418 CovalentContact SG-SG 2.03Å; C400-C418 PolarHBondContact SG-SG 3.13Å; C400-V434 HydrophobicContact CB-CG2 3.95Å
401	N	85.7	Confident	87	Confident	61 Å²	61	49.5 Å²	49.5	33%	0.326	27%	0.271	S	S	.	.	S	Bend	trans	-87.3	-10.2	179.2	74.5	11.6	0	0	0	112.5	S397 D398 I399 N403 D405 E412	S397-N401 WeakPolarHBondContact O-CB 3.34Å; S397-N401 PolarHBondContact O-ND2 2.97Å; D398-N401 WeakPolarHBondContact CA-ND2 3.46Å; I399-N401 PolarHBondContact O-N 3.17Å; N401-N403 WeakPolarHBondContact OD1-CA 3.44Å; N401-N403 VanDerWaalsContact OD1-CB 3.25Å; N401-N403 WeakPolarHBondContact OD1-CB 3.31Å; N401-N403 PolarHBondContact OD1-N 2.04Å; N401-N403 PolarHBondContact OD1-ND2 3.38Å; N401-D405 PolarHBondContact ND2-OD2 2.77Å; N401-E412 PolarHBondContact N-OE1 3.23Å
402	G	84.7	Confident	87	Confident	56 Å²	56	50.5 Å²	50.5	58%	0.577	28%	0.275	S	S	*	.	S	Bend	trans	90.2	-2.9	179.4	0	0	0	0	0	115.3	E412	G402-E412 WeakPolarHBondContact CA-OE2 3.49Å; G402-E412 VanDerWaalsContact N-CD 3.3Å; G402-E412 PolarHBondContact N-OE1 3.33Å; G402-E412 PolarHBondContact N-OE2 3.48Å
403	N	89.3	Confident	86.8	Confident	99 Å²	99	48.8 Å²	48.8	53%	0.529	27%	0.271	S	S	.	.	S	Bend	trans	-88.8	166.2	168.7	-57.4	-47.7	0	0	0	109.9	N401 E412	N401-N403 WeakPolarHBondContact OD1-CA 3.44Å; N401-N403 VanDerWaalsContact OD1-CB 3.25Å; N401-N403 WeakPolarHBondContact OD1-CB 3.31Å; N401-N403 PolarHBondContact OD1-N 2.04Å; N401-N403 PolarHBondContact OD1-ND2 3.38Å; N403-E412 WeakPolarHBondContact O-CG 3.29Å
404	H	89.6	Confident	86.4	Confident	116 Å²	116	53.4 Å²	53.4	54%	0.537	30%	0.301	S	S	.	.			trans	-110.3	82.9	171.6	-55.6	112.1	0	0	0	108.5	C406 K409 D411	H404-C406 VanDerWaalsContact C-N 3.31Å; H404-K409 HydrophobicContact CB-CG 4.3Å; H404-K409 VanDerWaalsContact CD2-CD 3.46Å; H404-K409 WeakPolarHBondContact CD2-CD 2.97Å; H404-K409 PolarHBondContact CE1-NZ 3.22Å; H404-K409 PolarHBondContact NE2-NZ 3.35Å; H404-D411 WeakPolarHBondContact CA-OD2 3.48Å
405	D	89.5	Confident	85.9	Confident	50 Å²	50	57.5 Å²	57.5	27%	0.267	33%	0.33	S	S	.	.			trans	-72.2	-23.2	174.9	-80.7	-63.3	0	0	0	112.4	K392 L394 N401 D411	K392-D405 VanDerWaalsContact CD-O 3.31Å; K392-D405 WeakPolarHBondContact CD-O 3.27Å; K392-D405 PolarHBondContact NZ-O 3.45Å; K392-D405 IonicContact NZ-OD1 3.19Å; K392-D405 PolarHBondContact NZ-OD1 3.43Å; L394-D405 HydrophobicContact CD2-CB 4.03Å; N401-D405 PolarHBondContact ND2-OD2 2.77Å; D405-D411 WeakPolarHBondContact CA-OD2 3.3Å; D405-D411 WeakPolarHBondContact CB-OD2 3.47Å; D405-D411 PolarHBondContact N-OD2 2.92Å
406	C	89.8	Confident	85.7	Confident	5 Å²	5	58.8 Å²	58.8	3%	0.034	34%	0.34	C	S	.	.	S	Bend	trans	-101.2	143.2	173.2	-63.5	0	0	0	0	114.1	C384 L394 H404 D408 K409 D411	C384-C406 HydrophobicContact CB-CB 3.72Å; C384-C406 WeakPolarHBondContact CB-SG 3.34Å; C384-C406 WeakPolarHBondContact SG-CB 3.48Å; C384-C406 CovalentContact SG-SG 2.03Å; C384-C406 PolarHBondContact SG-SG 2.97Å; L394-C406 VanDerWaalsContact CD1-SG 3.53Å; H404-C406 VanDerWaalsContact C-N 3.31Å; C406-D408 WeakPolarHBondContact CB-OD1 3.18Å; C406-D408 PolarHBondContact O-N 3.46Å; C406-K409 PolarHBondContact O-N 2.81Å; C406-K409 VanDerWaalsContact O-N 3.07Å; C406-D411 HydrophobicContact CB-CB 4.41Å; C406-D411 WeakPolarHBondContact CB-OD1 3.34Å; C406-D411 PolarHBondContact N-OD2 3.22Å
407	E	87.1	Confident	85.8	Confident	123 Å²	123	60.6 Å²	60.6	58%	0.575	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-35.7	174.3	-68.9	-179.8	-168.5	0	0	112.6	S387	S387-E407 WeakPolarHBondContact CB-OE2 3.13Å; S387-E407 PolarHBondContact N-OE2 3.42Å; S387-E407 PolarHBondContact OG-OE2 2.76Å
408	D	87.2	Confident	86	Confident	95 Å²	95	57.6 Å²	57.6	51%	0.508	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-0.5	-179.9	70.8	-17.5	0	0	0	114	C406 S410	C406-D408 WeakPolarHBondContact CB-OD1 3.18Å; C406-D408 PolarHBondContact O-N 3.46Å; D408-S410 VanDerWaalsContact C-N 3.27Å; D408-S410 PolarHBondContact O-N 3.45Å; D408-S410 VanDerWaalsContact OD1-CB 3.22Å; D408-S410 WeakPolarHBondContact OD1-CB 3.26Å; D408-S410 PolarHBondContact OD1-N 3.1Å; D408-S410 VanDerWaalsContact OD1-N 3.13Å; D408-S410 PolarHBondContact OD1-OG 3.39Å; D408-S410 WeakPolarHBondContact OD2-CB 3.39Å; D408-S410 PolarHBondContact OD2-OG 3.09Å
409	K	86.9	Confident	86	Confident	108 Å²	108	58.3 Å²	58.3	47%	0.47	33%	0.325	S	S	.	.			trans	61.3	29.3	-176.5	-48.2	179.5	170.5	-150.2	0	114.5	H404 C406 D411 E412 S413	H404-K409 HydrophobicContact CB-CG 4.3Å; H404-K409 VanDerWaalsContact CD2-CD 3.46Å; H404-K409 WeakPolarHBondContact CD2-CD 2.97Å; H404-K409 PolarHBondContact CE1-NZ 3.22Å; H404-K409 PolarHBondContact NE2-NZ 3.35Å; C406-K409 PolarHBondContact O-N 2.81Å; C406-K409 VanDerWaalsContact O-N 3.07Å; K409-D411 VanDerWaalsContact C-N 3.35Å; K409-D411 WeakPolarHBondContact CA-OD1 3.23Å; K409-E412 PolarHBondContact O-N 3.29Å; K409-S413 PolarHBondContact O-N 3.1Å
410	S	88.8	Confident	85.7	Confident	15 Å²	15	60.6 Å²	60.6	11%	0.105	34%	0.344	C	S	.	.			trans	-70	-28.9	-179.6	48.3	0	0	0	0	114.1	C384 D408 S413 L416	C384-S410 WeakPolarHBondContact CB-OG 3.46Å; D408-S410 VanDerWaalsContact C-N 3.27Å; D408-S410 PolarHBondContact O-N 3.45Å; D408-S410 VanDerWaalsContact OD1-CB 3.22Å; D408-S410 WeakPolarHBondContact OD1-CB 3.26Å; D408-S410 PolarHBondContact OD1-N 3.1Å; D408-S410 VanDerWaalsContact OD1-N 3.13Å; D408-S410 PolarHBondContact OD1-OG 3.39Å; D408-S410 WeakPolarHBondContact OD2-CB 3.39Å; D408-S410 PolarHBondContact OD2-OG 3.09Å; S410-S413 VanDerWaalsContact O-CB 3.3Å; S410-S413 WeakPolarHBondContact O-CB 3.42Å; S410-S413 PolarHBondContact O-N 3.34Å; S410-L416 WeakPolarHBondContact O-CD1 3.22Å
411	D	87.2	Confident	85.7	Confident	1 Å²	1	65.2 Å²	65.2	1%	0.005	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-44.5	167.4	52.3	-32.4	0	0	0	113.6	L394 I399 C400 H404 D405 C406 K409 C418	L394-D411 HydrophobicContact CD1-CB 4.04Å; I399-D411 HydrophobicContact CD1-CB 4.24Å; C400-D411 PolarHBondContact N-O 2.83Å; H404-D411 WeakPolarHBondContact CA-OD2 3.48Å; D405-D411 WeakPolarHBondContact CA-OD2 3.3Å; D405-D411 WeakPolarHBondContact CB-OD2 3.47Å; D405-D411 PolarHBondContact N-OD2 2.92Å; C406-D411 HydrophobicContact CB-CB 4.41Å; C406-D411 WeakPolarHBondContact CB-OD1 3.34Å; C406-D411 PolarHBondContact N-OD2 3.22Å; K409-D411 VanDerWaalsContact C-N 3.35Å; K409-D411 WeakPolarHBondContact CA-OD1 3.23Å; D411-C418 PolarHBondContact O-SG 3.44Å
412	E	88.8	Confident	85.7	Confident	48 Å²	48	64.1 Å²	64.1	22%	0.224	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	7.2	178.9	-68.8	-61.6	127.9	0	0	113.4	C400 N401 G402 N403 K409 P414 C418	C400-E412 WeakPolarHBondContact CA-OE1 3.37Å; C400-E412 PolarHBondContact N-OE1 3.31Å; C400-E412 VanDerWaalsContact N-OE1 3.13Å; N401-E412 PolarHBondContact N-OE1 3.23Å; G402-E412 WeakPolarHBondContact CA-OE2 3.49Å; G402-E412 VanDerWaalsContact N-CD 3.3Å; G402-E412 PolarHBondContact N-OE1 3.33Å; G402-E412 PolarHBondContact N-OE2 3.48Å; N403-E412 WeakPolarHBondContact O-CG 3.29Å; K409-E412 PolarHBondContact O-N 3.29Å; E412-P414 VanDerWaalsContact O-CD 3.31Å; E412-P414 WeakPolarHBondContact O-CD 3.48Å; E412-C418 VanDerWaalsContact C-SG 3.59Å
413	S	85.5	Confident	85.8	Confident	25 Å²	25	65.3 Å²	65.3	18%	0.175	36%	0.359	C	S	.	.			trans	-78.4	123.1	-170.9	-177.6	0	0	0	0	112.9	K409 S410 S415 L416 C418	K409-S413 PolarHBondContact O-N 3.1Å; S410-S413 VanDerWaalsContact O-CB 3.3Å; S410-S413 WeakPolarHBondContact O-CB 3.42Å; S410-S413 PolarHBondContact O-N 3.34Å; S413-S415 PolarHBondContact O-N 3.49Å; S413-S415 PolarHBondContact OG-N 3.17Å; S413-S415 PolarHBondContact OG-OG 3.39Å; S413-L416 PolarHBondContact O-N 2.89Å; S413-L416 VanDerWaalsContact O-N 3.11Å; S413-C418 PolarHBondContact O-N 3.45Å
414	P	80.8	Confident	85.7	Confident	99 Å²	99	67.7 Å²	67.7	64%	0.643	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-8.6	174	-21.2	34.2	0	0	0	114.8	E412 C418 K419	E412-P414 VanDerWaalsContact O-CD 3.31Å; E412-P414 WeakPolarHBondContact O-CD 3.48Å; P414-C418 WeakPolarHBondContact CA-O 3.09Å; P414-K419 VanDerWaalsContact O-CG 3.31Å; P414-K419 WeakPolarHBondContact O-CG 3.46Å
415	S	78.6	Confident	85.5	Confident	90 Å²	90	68.5 Å²	68.5	63%	0.629	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-13.9	175.8	65.6	0	0	0	0	114	S413 K419	S413-S415 PolarHBondContact O-N 3.49Å; S413-S415 PolarHBondContact OG-N 3.17Å; S413-S415 PolarHBondContact OG-OG 3.39Å; S415-K419 VanDerWaalsContact O-CE 3.27Å; S415-K419 WeakPolarHBondContact O-CE 3.49Å
416	L	80.4	Confident	85.5	Confident	72 Å²	72	67.7 Å²	67.7	38%	0.377	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.6	-82.6	-176.8	-78.5	162.8	0	0	0	111.3	S410 S413 K419	S410-L416 WeakPolarHBondContact O-CD1 3.22Å; S413-L416 PolarHBondContact O-N 2.89Å; S413-L416 VanDerWaalsContact O-N 3.11Å; L416-K419 WeakPolarHBondContact O-CD 3.31Å; L416-K419 WeakPolarHBondContact O-CE 3.43Å; L416-K419 PolarHBondContact O-NZ 3.03Å
417	Y	82.5	Confident	85.5	Confident	46 Å²	46	70 Å²	70	18%	0.18	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.1	-32.6	-175.2	-54.2	-68.7	0	0	0	112.4	F382 I399 K419 V434 C435	F382-Y417 HydrophobicContact CD1-CD1 4.06Å; F382-Y417 AromaticContact CD1-CD2 3.98Å; F382-Y417 HydrophobicContact CD1-CD2 3.98Å; F382-Y417 AromaticContact CD1-CE1 3.81Å; F382-Y417 HydrophobicContact CD1-CE1 3.81Å; F382-Y417 AromaticContact CD1-CE2 3.74Å; F382-Y417 HydrophobicContact CD1-CE2 3.74Å; F382-Y417 HydrophobicContact CD1-CG 4.13Å; F382-Y417 AromaticContact CD1-CZ 3.64Å; F382-Y417 AromaticContact CE1-CD1 3.63Å; F382-Y417 HydrophobicContact CE1-CD1 3.63Å; F382-Y417 HydrophobicContact CE1-CD2 4.15Å; F382-Y417 AromaticContact CE1-CE1 3.75Å; F382-Y417 HydrophobicContact CE1-CE1 3.75Å; F382-Y417 HydrophobicContact CE1-CE2 4.28Å; F382-Y417 AromaticContact CE1-CG 3.83Å; F382-Y417 HydrophobicContact CE1-CG 3.83Å; I399-Y417 HydrophobicContact CD1-CD2 4.31Å; I399-Y417 HydrophobicContact CG2-CD2 4.29Å; I399-Y417 HydrophobicContact CG2-CG 4.17Å; Y417-K419 PolarHBondContact O-N 3.34Å; Y417-V434 WeakPolarHBondContact O-CA 3.43Å; Y417-C435 PolarHBondContact O-N 2.92Å
418	C	85.5	Confident	85.6	Confident	21 Å²	21	68.4 Å²	68.4	14%	0.142	38%	0.375	C	S	.	.			trans	-78	44.4	-176	-47.8	0	0	0	0	114	C400 D411 E412 S413 P414 N433	C400-C418 VanDerWaalsContact CA-SG 3.57Å; C400-C418 HydrophobicContact CB-CB 4.06Å; C400-C418 WeakPolarHBondContact CB-SG 3.39Å; C400-C418 WeakPolarHBondContact SG-CA 3.04Å; C400-C418 WeakPolarHBondContact SG-CB 3.44Å; C400-C418 PolarHBondContact SG-N 2.96Å; C400-C418 CovalentContact SG-SG 2.03Å; C400-C418 PolarHBondContact SG-SG 3.13Å; D411-C418 PolarHBondContact O-SG 3.44Å; E412-C418 VanDerWaalsContact C-SG 3.59Å; S413-C418 PolarHBondContact O-N 3.45Å; P414-C418 WeakPolarHBondContact CA-O 3.09Å; C418-N433 CarbonylContact C-O 3.45Å; C418-N433 WeakPolarHBondContact CA-O 3.31Å
419	K	85.6	Confident	85.7	Confident	47 Å²	47	64 Å²	64	20%	0.204	35%	0.351	C	S	.	.			trans	-91.3	137.3	-174.7	-69.1	162.8	175.9	148.6	0	111.4	P414 S415 L416 Y417 N421 E426 N433 C435	P414-K419 VanDerWaalsContact O-CG 3.31Å; P414-K419 WeakPolarHBondContact O-CG 3.46Å; S415-K419 VanDerWaalsContact O-CE 3.27Å; S415-K419 WeakPolarHBondContact O-CE 3.49Å; L416-K419 WeakPolarHBondContact O-CD 3.31Å; L416-K419 WeakPolarHBondContact O-CE 3.43Å; L416-K419 PolarHBondContact O-NZ 3.03Å; Y417-K419 PolarHBondContact O-N 3.34Å; K419-N421 VanDerWaalsContact C-N 3.35Å; K419-E426 IonicContact NZ-OE1 3.95Å; K419-E426 PolarHBondContact NZ-OE1 2.76Å; K419-E426 IonicContact NZ-OE2 2.76Å; K419-N433 PolarHBondContact N-O 3.47Å; K419-N433 VanDerWaalsContact N-O 3.1Å; K419-N433 CarbonylContact O-C 3.53Å; K419-N433 VanDerWaalsContact O-C 3.27Å; K419-C435 HydrophobicContact CB-CB 4.44Å; K419-C435 HydrophobicContact CD-CB 4.3Å
420	A	80.5	Confident	85.8	Confident	54 Å²	54	64.5 Å²	64.5	45%	0.446	36%	0.355	S	S	.	.	S	Bend	trans	-72.2	-27	171.3	0	0	0	0	0	113.5	K428	A420-K428 WeakPolarHBondContact O-CE 3.45Å; A420-K428 PolarHBondContact O-NZ 3.05Å
421	N	85	Confident	85.5	Confident	139 Å²	139	68 Å²	68	74%	0.743	39%	0.394	S	S	*	.	S	Bend	trans	-129.5	129.3	178.1	-69.8	-19	0	0	0	109.3	K419	K419-N421 VanDerWaalsContact C-N 3.35Å
422	C	86.4	Confident	85.3	Confident	38 Å²	38	69 Å²	69	26%	0.257	40%	0.402	S	S	.	.			trans	-94.3	159.3	178	-46.2	0	0	0	0	111.2	E426 K428 C435	C422-E426 HydrophobicContact CB-CB 3.71Å; C422-K428 VanDerWaalsContact SG-CA 3.52Å; C422-K428 WeakPolarHBondContact SG-CB 3.01Å; C422-C435 WeakPolarHBondContact CA-SG 3.27Å; C422-C435 HydrophobicContact CB-CB 3.8Å; C422-C435 WeakPolarHBondContact CB-SG 3.08Å; C422-C435 WeakPolarHBondContact SG-CB 3.22Å; C422-C435 CovalentContact SG-SG 2.02Å; C422-C435 PolarHBondContact SG-SG 3.03Å
423	T	87.7	Confident	85.2	Confident	81 Å²	81	71.1 Å²	71.1	50%	0.497	42%	0.415	S	S	.	.			trans	-79.8	168.5	171	59.2	0	0	0	0	111.8	D425 E426	T423-D425 PolarHBondContact O-N 2.64Å; T423-D425 VanDerWaalsContact O-N 3.12Å; T423-E426 WeakPolarHBondContact CB-OE2 3.29Å; T423-E426 PolarHBondContact N-OE2 3.21Å; T423-E426 PolarHBondContact O-N 2.03Å; T423-E426 WeakPolarHBondContact OG1-CG 3.38Å; T423-E426 PolarHBondContact OG1-OE2 3.02Å
424	D	85.6	Confident	85.3	Confident	149 Å²	149	70.2 Å²	70.2	80%	0.797	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-15.5	-178.7	-70.2	-29.4	0	0	0	113.9	K438	D424-K438 VanDerWaalsContact O-CE 3.22Å; D424-K438 WeakPolarHBondContact O-CE 3.37Å; D424-K438 PolarHBondContact O-NZ 2.82Å
425	D	86.3	Confident	85.6	Confident	133 Å²	133	65.5 Å²	65.5	71%	0.711	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.1	-2.3	176.3	-64.3	-47.8	0	0	0	113.3	T423 K438	T423-D425 PolarHBondContact O-N 2.64Å; T423-D425 VanDerWaalsContact O-N 3.12Å; D425-K438 WeakPolarHBondContact O-CG 3.43Å; D425-K438 PolarHBondContact O-N 2.86Å
426	E	89.8	Confident	86	Confident	33 Å²	33	61.2 Å²	61.2	15%	0.154	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	156.8	178.4	-71.1	164.7	150.7	0	0	110.6	K419 C422 T423 C435 I436 K438	K419-E426 IonicContact NZ-OE1 3.95Å; K419-E426 PolarHBondContact NZ-OE1 2.76Å; K419-E426 IonicContact NZ-OE2 2.76Å; C422-E426 HydrophobicContact CB-CB 3.71Å; T423-E426 WeakPolarHBondContact CB-OE2 3.29Å; T423-E426 PolarHBondContact N-OE2 3.21Å; T423-E426 PolarHBondContact O-N 2.03Å; T423-E426 WeakPolarHBondContact OG1-CG 3.38Å; T423-E426 PolarHBondContact OG1-OE2 3.02Å; E426-C435 HydrophobicContact CB-CB 4.31Å; E426-I436 CarbonylContact C-O 3.59Å; E426-I436 VanDerWaalsContact CA-O 3.26Å; E426-I436 WeakPolarHBondContact CA-O 3.14Å; E426-K438 WeakPolarHBondContact O-CE 3.49Å
427	Y	88.7	Confident	86.4	Confident	53 Å²	53	59.4 Å²	59.4	21%	0.208	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	139.8	171.1	172.4	-97.8	0	0	0	109.1	Q430 C435 I436 I441 D452 D453	Y427-Q430 PolarHBondContact OH-NE2 3.03Å; Y427-C435 VanDerWaalsContact O-CA 3.32Å; Y427-C435 WeakPolarHBondContact O-CA 3.38Å; Y427-I436 HydrophobicContact CD1-CD1 4.04Å; Y427-I436 HydrophobicContact CD1-CG1 3.96Å; Y427-I436 PolarHBondContact N-O 2.85Å; Y427-I436 PolarHBondContact O-N 3.28Å; Y427-I441 HydrophobicContact CD2-CD1 4.04Å; Y427-I441 HydrophobicContact CG-CD1 4.01Å; Y427-I441 HydrophobicContact CG-CG1 4.23Å; Y427-D452 VanDerWaalsContact CE1-OD2 3.28Å; Y427-D452 WeakPolarHBondContact CE1-OD2 3.46Å; Y427-D452 PolarHBondContact OH-OD2 2.72Å; Y427-D453 HydrophobicContact CE1-CB 4.48Å
428	K	90.2	Very high	86.6	Confident	90 Å²	90	62.1 Å²	62.1	39%	0.391	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	114.4	179.2	-171.9	172.9	175.8	172.8	0	110	A420 C422 Q430	A420-K428 WeakPolarHBondContact O-CE 3.45Å; A420-K428 PolarHBondContact O-NZ 3.05Å; C422-K428 VanDerWaalsContact SG-CA 3.52Å; C422-K428 WeakPolarHBondContact SG-CB 3.01Å; K428-Q430 PolarHBondContact O-N 3.29Å
429	C	89.6	Confident	86.7	Confident	1 Å²	1	65.9 Å²	65.9	1%	0.007	37%	0.367	C	S	.	.			trans	-57.2	135	175	-60.9	0	0	0	0	111.7	G431 A432 V434 C448	C429-G431 PolarHBondContact O-N 3.24Å; C429-A432 HydrophobicContact CB-CB 4.14Å; C429-A432 PolarHBondContact O-N 3.19Å; C429-V434 HydrophobicContact CB-CB 4.09Å; C429-V434 PolarHBondContact N-O 3.21Å; C429-C448 WeakPolarHBondContact CA-SG 3.31Å; C429-C448 HydrophobicContact CB-CB 3.57Å; C429-C448 WeakPolarHBondContact CB-SG 3.05Å; C429-C448 WeakPolarHBondContact SG-CA 3.3Å; C429-C448 WeakPolarHBondContact SG-CB 3.04Å; C429-C448 CovalentContact SG-SG 2.03Å; C429-C448 PolarHBondContact SG-SG 3.43Å
430	Q	87.9	Confident	86.7	Confident	119 Å²	119	64 Å²	64	56%	0.556	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	128.6	-177.6	-68.3	-179.1	39.4	0	0	111	Y427 K428 A432 N450 D452	Y427-Q430 PolarHBondContact OH-NE2 3.03Å; K428-Q430 PolarHBondContact O-N 3.29Å; Q430-A432 PolarHBondContact O-N 2.79Å; Q430-N450 PolarHBondContact O-ND2 3.3Å; Q430-D452 HydrophobicContact CB-CB 4.21Å; Q430-D452 HydrophobicContact CG-CB 4.34Å; Q430-D452 WeakPolarHBondContact CG-OD2 3.41Å; Q430-D452 VanDerWaalsContact N-CG 3.31Å; Q430-D452 PolarHBondContact N-OD1 2.89Å; Q430-D452 PolarHBondContact N-OD2 2.99Å
431	G	83.3	Confident	87.1	Confident	90 Å²	90	63.4 Å²	63.4	93%	0.928	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.6	-6.2	-179.5	0	0	0	0	0	115.5	C429	C429-G431 PolarHBondContact O-N 3.24Å
432	A	83.3	Confident	87.4	Confident	20 Å²	20	57 Å²	57	17%	0.165	31%	0.313	C	S	.	.	S	Bend	trans	-117.1	160.1	179.2	0	0	0	0	0	112	C429 Q430 V434 P449	C429-A432 HydrophobicContact CB-CB 4.14Å; C429-A432 PolarHBondContact O-N 3.19Å; Q430-A432 PolarHBondContact O-N 2.79Å; A432-V434 HydrophobicContact CB-CB 4.33Å; A432-V434 HydrophobicContact CB-CG2 3.98Å; A432-V434 PolarHBondContact O-N 2.99Å; A432-P449 HydrophobicContact CB-CG 4.02Å
433	N	85.5	Confident	87.4	Confident	94 Å²	94	55.3 Å²	55.3	50%	0.503	30%	0.302	S	S	.	.	S	Bend	trans	-95.6	51.6	168.4	-69.2	-44.8	0	0	0	109.6	C418 K419	C418-N433 CarbonylContact C-O 3.45Å; C418-N433 WeakPolarHBondContact CA-O 3.31Å; K419-N433 PolarHBondContact N-O 3.47Å; K419-N433 VanDerWaalsContact N-O 3.1Å; K419-N433 CarbonylContact O-C 3.53Å; K419-N433 VanDerWaalsContact O-C 3.27Å
434	V	87.4	Confident	87.4	Confident	5 Å²	5	52.4 Å²	52.4	3%	0.03	29%	0.288	C	S	.	.			trans	-116.8	131.2	-179.9	-177.7	0	0	0	0	108.5	I399 C400 Y417 C429 A432 I436 P449	I399-V434 HydrophobicContact CG2-CG1 4.48Å; C400-V434 HydrophobicContact CB-CG2 3.95Å; Y417-V434 WeakPolarHBondContact O-CA 3.43Å; C429-V434 HydrophobicContact CB-CB 4.09Å; C429-V434 PolarHBondContact N-O 3.21Å; A432-V434 HydrophobicContact CB-CB 4.33Å; A432-V434 HydrophobicContact CB-CG2 3.98Å; A432-V434 PolarHBondContact O-N 2.99Å; V434-I436 HydrophobicContact CG1-CG2 4.18Å; V434-P449 HydrophobicContact CG2-CG 4.16Å
435	C	88.9	Confident	87.4	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	121	176	-64.1	0	0	0	0	110	Y417 K419 C422 E426 Y427	Y417-C435 PolarHBondContact O-N 2.92Å; K419-C435 HydrophobicContact CB-CB 4.44Å; K419-C435 HydrophobicContact CD-CB 4.3Å; C422-C435 WeakPolarHBondContact CA-SG 3.27Å; C422-C435 HydrophobicContact CB-CB 3.8Å; C422-C435 WeakPolarHBondContact CB-SG 3.08Å; C422-C435 WeakPolarHBondContact SG-CB 3.22Å; C422-C435 CovalentContact SG-SG 2.02Å; C422-C435 PolarHBondContact SG-SG 3.03Å; E426-C435 HydrophobicContact CB-CB 4.31Å; Y427-C435 VanDerWaalsContact O-CA 3.32Å; Y427-C435 WeakPolarHBondContact O-CA 3.38Å
436	I	86.7	Confident	87.5	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	143.9	177.4	65.8	174.9	0	0	0	110.4	F382 E426 Y427 V434 W440 H447 D453	F382-I436 HydrophobicContact CZ-CG2 4Å; E426-I436 CarbonylContact C-O 3.59Å; E426-I436 VanDerWaalsContact CA-O 3.26Å; E426-I436 WeakPolarHBondContact CA-O 3.14Å; Y427-I436 HydrophobicContact CD1-CD1 4.04Å; Y427-I436 HydrophobicContact CD1-CG1 3.96Å; Y427-I436 PolarHBondContact N-O 2.85Å; Y427-I436 PolarHBondContact O-N 3.28Å; V434-I436 HydrophobicContact CG1-CG2 4.18Å; I436-W440 HydrophobicContact CB-CE3 3.99Å; I436-W440 HydrophobicContact CD1-CB 4.36Å; I436-W440 WeakPolarHBondContact CD1-O 3.44Å; I436-W440 HydrophobicContact CG2-CE3 4.41Å; I436-H447 HydrophobicContact CD1-CB 4.01Å; I436-H447 HydrophobicContact CG2-CB 4.08Å; I436-D453 HydrophobicContact CD1-CB 3.67Å
437	P	87.2	Confident	87.4	Confident	35 Å²	35	44 Å²	44	23%	0.227	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.4	138.3	168.6	-27.1	35.4	0	0	0	112.5	K439 W440	P437-K439 HydrophobicContact CB-CG 3.86Å; P437-K439 PolarHBondContact O-N 3.03Å; P437-W440 HydrophobicContact CB-CD2 4.47Å; P437-W440 VanDerWaalsContact CD-CE3 3.47Å; P437-W440 HydrophobicContact CG-CD2 4.36Å; P437-W440 HydrophobicContact CG-CE3 4.22Å; P437-W440 HydrophobicContact CG-CH2 3.89Å; P437-W440 HydrophobicContact CG-CZ2 4.13Å; P437-W440 HydrophobicContact CG-CZ3 3.98Å; P437-W440 PolarHBondContact O-N 2.81Å
438	K	87.5	Confident	87.3	Confident	102 Å²	102	41.7 Å²	41.7	44%	0.443	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-57	-14.4	-178.7	-77.9	175.6	173.1	179.2	0	116.3	D424 D425 E426 W440 I441 Q464	D424-K438 VanDerWaalsContact O-CE 3.22Å; D424-K438 WeakPolarHBondContact O-CE 3.37Å; D424-K438 PolarHBondContact O-NZ 2.82Å; D425-K438 WeakPolarHBondContact O-CG 3.43Å; D425-K438 PolarHBondContact O-N 2.86Å; E426-K438 WeakPolarHBondContact O-CE 3.49Å; K438-W440 VanDerWaalsContact C-N 3.26Å; K438-I441 HydrophobicContact CB-CD1 4.23Å; K438-I441 HydrophobicContact CG-CD1 4.14Å; K438-I441 WeakPolarHBondContact O-CG1 3.08Å; K438-Q464 PolarHBondContact O-NE2 3.41Å; K438-Q464 PolarHBondContact O-OE1 2.82Å
439	K	87.3	Confident	87	Confident	101 Å²	101	41.1 Å²	41.1	44%	0.439	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-75.1	-10.4	175	58.6	150.5	-176.2	150.2	0	114.5	P437 Q464	P437-K439 HydrophobicContact CB-CG 3.86Å; P437-K439 PolarHBondContact O-N 3.03Å; K439-Q464 WeakPolarHBondContact O-CB 3.47Å
440	W	85.9	Confident	86.7	Confident	8 Å²	8	46.7 Å²	46.7	3%	0.03	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-107.5	32.6	175.2	-51.4	-30.7	0	0	0	111.1	S381 F382 I436 P437 K438 D443 H447	S381-W440 VanDerWaalsContact C-CH2 3.5Å; S381-W440 VanDerWaalsContact CA-CZ2 3.44Å; S381-W440 WeakPolarHBondContact O-CH2 3.39Å; S381-W440 WeakPolarHBondContact O-CZ2 3.43Å; S381-W440 PolarHBondContact OG-NE1 2.9Å; F382-W440 HydrophobicContact CD1-CH2 4.29Å; F382-W440 AromaticContact CD1-CZ3 3.92Å; F382-W440 HydrophobicContact CD1-CZ3 3.92Å; F382-W440 HydrophobicContact CE1-CE3 4.41Å; F382-W440 HydrophobicContact CE1-CH2 4.34Å; F382-W440 AromaticContact CE1-CZ3 3.55Å; F382-W440 HydrophobicContact CE1-CZ3 3.55Å; F382-W440 HydrophobicContact CE2-CE3 4.47Å; F382-W440 HydrophobicContact CE2-CZ3 4.18Å; F382-W440 HydrophobicContact CG-CZ3 4.39Å; F382-W440 HydrophobicContact CZ-CE3 4.13Å; F382-W440 AromaticContact CZ-CZ3 3.69Å; F382-W440 HydrophobicContact CZ-CZ3 3.69Å; I436-W440 HydrophobicContact CB-CE3 3.99Å; I436-W440 HydrophobicContact CD1-CB 4.36Å; I436-W440 WeakPolarHBondContact CD1-O 3.44Å; I436-W440 HydrophobicContact CG2-CE3 4.41Å; P437-W440 HydrophobicContact CB-CD2 4.47Å; P437-W440 VanDerWaalsContact CD-CE3 3.47Å; P437-W440 HydrophobicContact CG-CD2 4.36Å; P437-W440 HydrophobicContact CG-CE3 4.22Å; P437-W440 HydrophobicContact CG-CH2 3.89Å; P437-W440 HydrophobicContact CG-CZ2 4.13Å; P437-W440 HydrophobicContact CG-CZ3 3.98Å; P437-W440 PolarHBondContact O-N 2.81Å; K438-W440 VanDerWaalsContact C-N 3.26Å; W440-D443 VanDerWaalsContact CD1-OD2 3.31Å; W440-H447 AromaticContact CE3-CD2 3.74Å
441	I	88.9	Confident	86.7	Confident	40 Å²	40	41.8 Å²	41.8	21%	0.205	25%	0.252	C	S	.	.	S	Bend	trans	-105.5	124	166.3	-55.6	171.1	0	0	0	104.3	Y427 K438 D453 Q464	Y427-I441 HydrophobicContact CD2-CD1 4.04Å; Y427-I441 HydrophobicContact CG-CD1 4.01Å; Y427-I441 HydrophobicContact CG-CG1 4.23Å; K438-I441 HydrophobicContact CB-CD1 4.23Å; K438-I441 HydrophobicContact CG-CD1 4.14Å; K438-I441 WeakPolarHBondContact O-CG1 3.08Å; I441-D453 WeakPolarHBondContact CG2-O 3.37Å; I441-Q464 PolarHBondContact O-NE2 2.92Å
442	C	91	Very high	87	Confident	5 Å²	5	38.1 Å²	38.1	3%	0.034	21%	0.211	C	C	.	.	S	Bend	trans	60.8	41.8	-176.8	-58.2	0	0	0	0	113.3	D453 E454 C457 S462 C463 Q464 C476	C442-D453 PolarHBondContact N-O 3.37Å; C442-E454 VanDerWaalsContact C-OE1 3.32Å; C442-E454 WeakPolarHBondContact CA-OE1 3.46Å; C442-E454 WeakPolarHBondContact CA-OE2 2.98Å; C442-E454 PolarHBondContact N-OE1 2.97Å; C442-C457 WeakPolarHBondContact CA-SG 3.45Å; C442-C457 HydrophobicContact CB-CB 3.83Å; C442-C457 WeakPolarHBondContact CB-SG 3.24Å; C442-C457 WeakPolarHBondContact SG-CA 3.43Å; C442-C457 WeakPolarHBondContact SG-CB 3.36Å; C442-C457 PolarHBondContact SG-N 3.46Å; C442-C457 CovalentContact SG-SG 2.03Å; C442-C457 PolarHBondContact SG-SG 2.91Å; C442-S462 WeakPolarHBondContact CB-O 3.16Å; C442-C463 CarbonylContact O-C 3.44Å; C442-C463 WeakPolarHBondContact O-CA 3.21Å; C442-Q464 PolarHBondContact O-N 3.1Å; C442-C476 PolarHBondContact O-SG 2.95Å; C442-C476 VanDerWaalsContact O-SG 3.41Å
443	D	87.5	Confident	87.3	Confident	2 Å²	2	37.2 Å²	37.2	1%	0.011	20%	0.203	C	C	.	.	S	Bend	trans	-98.4	10	166.6	66.1	-14.4	0	0	0	114.5	W440 D445 H447 E454 Q464 N465 A467 A478	W440-D443 VanDerWaalsContact CD1-OD2 3.31Å; D443-D445 VanDerWaalsContact C-N 3.35Å; D443-H447 IonicContact OD1-CE1 3.69Å; D443-H447 PolarHBondContact OD1-CE1 2.76Å; D443-H447 IonicContact OD1-ND1 3.21Å; D443-H447 PolarHBondContact OD1-ND1 3.43Å; D443-H447 IonicContact OD2-CE1 2.99Å; D443-H447 PolarHBondContact OD2-CE1 3.43Å; D443-E454 PolarHBondContact N-OE1 2.78Å; D443-Q464 WeakPolarHBondContact CB-O 3.37Å; D443-N465 HydrophobicContact CB-CB 3.43Å; D443-N465 VanDerWaalsContact CB-CB 3.43Å; D443-N465 WeakPolarHBondContact OD2-CB 3.38Å; D443-N465 PolarHBondContact OD2-ND2 2.79Å; D443-A467 HydrophobicContact CB-CB 4.43Å; D443-A467 VanDerWaalsContact O-CB 3.24Å; D443-A467 WeakPolarHBondContact O-CB 3.34Å; D443-A478 WeakPolarHBondContact O-CA 3.09Å
444	G	87.4	Confident	87.6	Confident	20 Å²	20	33.9 Å²	33.9	21%	0.206	19%	0.185	C	C	.	.	S	Bend	trans	87.2	2.9	174	0	0	0	0	0	114.2	E454 C476	G444-E454 WeakPolarHBondContact CA-OE2 2.94Å; G444-E454 PolarHBondContact N-OE1 3.5Å; G444-E454 PolarHBondContact N-OE2 3.47Å; G444-C476 WeakPolarHBondContact CA-O 3.44Å
445	D	85.2	Confident	87.4	Confident	23 Å²	23	37.8 Å²	37.8	12%	0.123	21%	0.212	C	C	.	.	S	Bend	trans	-129.7	134.5	-174.8	-66.2	-55.9	0	0	0	112	D443 H447 A478 W480	D443-D445 VanDerWaalsContact C-N 3.35Å; D445-H447 PolarHBondContact O-N 2.9Å; D445-H447 PolarHBondContact O-ND1 2.94Å; D445-A478 VanDerWaalsContact CG-CB 3.48Å; D445-A478 VanDerWaalsContact OD1-CB 3.32Å; D445-A478 WeakPolarHBondContact OD1-CB 3.32Å; D445-A478 WeakPolarHBondContact OD2-CB 3.34Å; D445-W480 HydrophobicContact CB-CH2 4.35Å; D445-W480 HydrophobicContact CB-CZ2 4.32Å; D445-W480 VanDerWaalsContact CG-CH2 3.42Å; D445-W480 WeakPolarHBondContact OD1-CZ2 3.44Å; D445-W480 WeakPolarHBondContact OD2-CH2 3.34Å; D445-W480 WeakPolarHBondContact OD2-CZ2 3.43Å
446	N	88.5	Confident	87.1	Confident	108 Å²	108	43.9 Å²	43.9	58%	0.578	24%	0.241	S	C	*	.			trans	-74.9	95.2	178.6	-60.3	-44.6	0	0	0	110.4	G451	N446-G451 WeakPolarHBondContact OD1-CA 3.35Å
447	H	86.8	Confident	87	Confident	8 Å²	8	44.4 Å²	44.4	4%	0.037	24%	0.244	C	C	.	.			trans	-85.2	-26.8	170.9	-59.6	80.1	0	0	0	112	S381 F382 I436 W440 D443 D445 D453	S381-H447 VanDerWaalsContact CB-CD2 3.44Å; S381-H447 WeakPolarHBondContact CB-CD2 3.32Å; S381-H447 WeakPolarHBondContact CB-NE2 3.16Å; S381-H447 PolarHBondContact OG-NE2 2.95Å; F382-H447 HydrophobicContact CE2-CB 4.13Å; F382-H447 AromaticContact CE2-CD2 3.58Å; F382-H447 HydrophobicContact CZ-CB 4.37Å; I436-H447 HydrophobicContact CD1-CB 4.01Å; I436-H447 HydrophobicContact CG2-CB 4.08Å; W440-H447 AromaticContact CE3-CD2 3.74Å; D443-H447 IonicContact OD1-CE1 3.69Å; D443-H447 PolarHBondContact OD1-CE1 2.76Å; D443-H447 IonicContact OD1-ND1 3.21Å; D443-H447 PolarHBondContact OD1-ND1 3.43Å; D443-H447 IonicContact OD2-CE1 2.99Å; D443-H447 PolarHBondContact OD2-CE1 3.43Å; D445-H447 PolarHBondContact O-N 2.9Å; D445-H447 PolarHBondContact O-ND1 2.94Å; H447-D453 VanDerWaalsContact CA-OD2 3.28Å; H447-D453 WeakPolarHBondContact CA-OD2 3.33Å; H447-D453 WeakPolarHBondContact CB-OD2 3.23Å; H447-D453 IonicContact CG-OD2 3.49Å; H447-D453 PolarHBondContact N-OD2 3.36Å; H447-D453 IonicContact ND1-OD2 3.56Å
448	C	88.3	Confident	86.8	Confident	4 Å²	4	49.9 Å²	49.9	3%	0.027	27%	0.265	C	S	.	.	S	Bend	trans	-86.4	146.5	172.5	-69.1	0	0	0	0	112.3	C429 N450 G451 D452 D453	C429-C448 WeakPolarHBondContact CA-SG 3.31Å; C429-C448 HydrophobicContact CB-CB 3.57Å; C429-C448 WeakPolarHBondContact CB-SG 3.05Å; C429-C448 WeakPolarHBondContact SG-CA 3.3Å; C429-C448 WeakPolarHBondContact SG-CB 3.04Å; C429-C448 CovalentContact SG-SG 2.03Å; C429-C448 PolarHBondContact SG-SG 3.43Å; C448-N450 PolarHBondContact O-N 3.02Å; C448-G451 PolarHBondContact O-N 2.89Å; C448-D452 WeakPolarHBondContact CB-OD1 3.34Å; C448-D453 HydrophobicContact CB-CB 4.44Å; C448-D453 VanDerWaalsContact CB-OD1 3.25Å; C448-D453 WeakPolarHBondContact CB-OD1 3.12Å; C448-D453 PolarHBondContact N-OD1 3.47Å; C448-D453 PolarHBondContact N-OD2 2.92Å
449	P	83.2	Confident	86.6	Confident	79 Å²	79	47 Å²	47	51%	0.513	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-19.8	180	-27.6	35.7	0	0	0	115.6	A432 V434	A432-P449 HydrophobicContact CB-CG 4.02Å; V434-P449 HydrophobicContact CG2-CG 4.16Å
450	N	83	Confident	86.3	Confident	118 Å²	118	45.9 Å²	45.9	63%	0.631	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.2	2.3	177.9	-66	-45.4	0	0	0	113.3	Q430 C448 D452	Q430-N450 PolarHBondContact O-ND2 3.3Å; C448-N450 PolarHBondContact O-N 3.02Å; N450-D452 PolarHBondContact O-N 3.45Å
451	G	87.4	Confident	86.2	Confident	15 Å²	15	52.8 Å²	52.8	16%	0.155	30%	0.297	C	S	.	.			trans	62.4	23.9	-173.8	0	0	0	0	0	114.5	N446 C448 D453 E454	N446-G451 WeakPolarHBondContact OD1-CA 3.35Å; C448-G451 PolarHBondContact O-N 2.89Å; G451-D453 VanDerWaalsContact C-N 3.27Å; G451-D453 VanDerWaalsContact C-OD1 3.23Å; G451-D453 WeakPolarHBondContact CA-OD1 3.28Å; G451-D453 PolarHBondContact O-N 3.02Å; G451-E454 PolarHBondContact O-N 3.44Å
452	D	90.5	Very high	86.1	Confident	13 Å²	13	52.2 Å²	52.2	7%	0.07	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-73.1	-20.5	-175.1	62	-81.8	0	0	0	113.6	Y427 Q430 C448 N450 E454 S455	Y427-D452 VanDerWaalsContact CE1-OD2 3.28Å; Y427-D452 WeakPolarHBondContact CE1-OD2 3.46Å; Y427-D452 PolarHBondContact OH-OD2 2.72Å; Q430-D452 HydrophobicContact CB-CB 4.21Å; Q430-D452 HydrophobicContact CG-CB 4.34Å; Q430-D452 WeakPolarHBondContact CG-OD2 3.41Å; Q430-D452 VanDerWaalsContact N-CG 3.31Å; Q430-D452 PolarHBondContact N-OD1 2.89Å; Q430-D452 PolarHBondContact N-OD2 2.99Å; C448-D452 WeakPolarHBondContact CB-OD1 3.34Å; N450-D452 PolarHBondContact O-N 3.45Å; D452-E454 VanDerWaalsContact C-N 3.3Å; D452-E454 PolarHBondContact O-N 3.17Å; D452-S455 WeakPolarHBondContact O-CB 3.26Å; D452-S455 PolarHBondContact O-N 2.96Å; D452-S455 PolarHBondContact O-OG 3.5Å
453	D	89.6	Confident	86	Confident	2 Å²	2	53.1 Å²	53.1	1%	0.011	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-62.9	-29.7	170.4	49.7	-36.6	0	0	0	113.8	Y427 I436 I441 C442 H447 C448 G451	Y427-D453 HydrophobicContact CE1-CB 4.48Å; I436-D453 HydrophobicContact CD1-CB 3.67Å; I441-D453 WeakPolarHBondContact CG2-O 3.37Å; C442-D453 PolarHBondContact N-O 3.37Å; H447-D453 VanDerWaalsContact CA-OD2 3.28Å; H447-D453 WeakPolarHBondContact CA-OD2 3.33Å; H447-D453 WeakPolarHBondContact CB-OD2 3.23Å; H447-D453 IonicContact CG-OD2 3.49Å; H447-D453 PolarHBondContact N-OD2 3.36Å; H447-D453 IonicContact ND1-OD2 3.56Å; C448-D453 HydrophobicContact CB-CB 4.44Å; C448-D453 VanDerWaalsContact CB-OD1 3.25Å; C448-D453 WeakPolarHBondContact CB-OD1 3.12Å; C448-D453 PolarHBondContact N-OD1 3.47Å; C448-D453 PolarHBondContact N-OD2 2.92Å; G451-D453 VanDerWaalsContact C-N 3.27Å; G451-D453 VanDerWaalsContact C-OD1 3.23Å; G451-D453 WeakPolarHBondContact CA-OD1 3.28Å; G451-D453 PolarHBondContact O-N 3.02Å
454	E	90.4	Very high	86	Confident	24 Å²	24	56.6 Å²	56.6	11%	0.112	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-94.8	4.1	175.5	-66.5	-56.9	120.9	0	0	113.4	C442 D443 G444 G451 D452 C457	C442-E454 VanDerWaalsContact C-OE1 3.32Å; C442-E454 WeakPolarHBondContact CA-OE1 3.46Å; C442-E454 WeakPolarHBondContact CA-OE2 2.98Å; C442-E454 PolarHBondContact N-OE1 2.97Å; D443-E454 PolarHBondContact N-OE1 2.78Å; G444-E454 WeakPolarHBondContact CA-OE2 2.94Å; G444-E454 PolarHBondContact N-OE1 3.5Å; G444-E454 PolarHBondContact N-OE2 3.47Å; G451-E454 PolarHBondContact O-N 3.44Å; D452-E454 VanDerWaalsContact C-N 3.3Å; D452-E454 PolarHBondContact O-N 3.17Å; E454-C457 PolarHBondContact O-SG 3.39Å
455	S	85.1	Confident	85.7	Confident	86 Å²	86	58.6 Å²	58.6	60%	0.601	33%	0.325	S	S	*	.	S	Bend	trans	-89.4	-17.4	-170.8	75.8	0	0	0	0	115.7	D452	D452-S455 WeakPolarHBondContact O-CB 3.26Å; D452-S455 PolarHBondContact O-N 2.96Å; D452-S455 PolarHBondContact O-OG 3.5Å
456	E	81.6	Confident	85.4	Confident	129 Å²	129	63.2 Å²	63.2	60%	0.603	35%	0.35	S	S	*	.			trans	-112.1	22.3	-175.8	-145.8	-178.9	166.3	0	0	114.4	K458	E456-K458 HydrophobicContact CG-CD 4.17Å; E456-K458 PolarHBondContact O-N 2.88Å; E456-K458 IonicContact OE1-NZ 2.66Å; E456-K458 PolarHBondContact OE1-NZ 3.11Å
457	C	85.7	Confident	85.4	Confident	11 Å²	11	58.7 Å²	58.7	7%	0.074	33%	0.328	C	S	.	.			trans	-76	93.6	-178.8	-46.1	0	0	0	0	111	C442 E454 W469	C442-C457 WeakPolarHBondContact CA-SG 3.45Å; C442-C457 HydrophobicContact CB-CB 3.83Å; C442-C457 WeakPolarHBondContact CB-SG 3.24Å; C442-C457 WeakPolarHBondContact SG-CA 3.43Å; C442-C457 WeakPolarHBondContact SG-CB 3.36Å; C442-C457 PolarHBondContact SG-N 3.46Å; C442-C457 CovalentContact SG-SG 2.03Å; C442-C457 PolarHBondContact SG-SG 2.91Å; E454-C457 PolarHBondContact O-SG 3.39Å; C457-W469 HydrophobicContact CB-CZ3 4.15Å; C457-W469 VanDerWaalsContact O-CH2 3.28Å; C457-W469 WeakPolarHBondContact O-CH2 3.16Å; C457-W469 WeakPolarHBondContact O-CZ3 3.29Å
458	K	81.2	Confident	85.4	Confident	150 Å²	150	62.2 Å²	62.2	65%	0.652	34%	0.341	S	S	*	.			trans	-100.7	-6.3	-168.1	-75	165.9	179.9	168.3	0	115	E456 S462	E456-K458 HydrophobicContact CG-CD 4.17Å; E456-K458 PolarHBondContact O-N 2.88Å; E456-K458 IonicContact OE1-NZ 2.66Å; E456-K458 PolarHBondContact OE1-NZ 3.11Å; K458-S462 PolarHBondContact N-OG 3.35Å
459	S	83.3	Confident	85.5	Confident	41 Å²	41	63.8 Å²	63.8	29%	0.287	35%	0.346	S	S	.	.	S	Bend	trans	-156.8	159.8	-174.1	60.6	0	0	0	0	112.9	D461 S462	S459-D461 PolarHBondContact O-N 2.77Å; S459-S462 PolarHBondContact N-OG 3.02Å; S459-S462 WeakPolarHBondContact O-CB 3.4Å; S459-S462 PolarHBondContact O-N 3.44Å; S459-S462 PolarHBondContact O-OG 3.29Å; S459-S462 PolarHBondContact OG-N 2.9Å
460	P	81.3	Confident	85.7	Confident	77 Å²	77	60.2 Å²	60.2	50%	0.5	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-53.5	-36.1	170.9	-22.4	29.8	0	0	0	113.4	S462 C463 W469	P460-S462 PolarHBondContact O-N 2.96Å; P460-C463 PolarHBondContact O-N 3.17Å; P460-W469 HydrophobicContact CB-CB 4.01Å; P460-W469 HydrophobicContact CB-CD2 4.49Å; P460-W469 HydrophobicContact CB-CG 3.9Å; P460-W469 HydrophobicContact CG-CD2 4.36Å; P460-W469 HydrophobicContact CG-CG 3.94Å
461	D	85.1	Confident	85.8	Confident	153 Å²	153	58.3 Å²	58.3	82%	0.818	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-74.5	-8.6	179.2	-52.9	-46.4	0	0	0	113.7	S459	S459-D461 PolarHBondContact O-N 2.77Å
462	S	86.9	Confident	85.7	Confident	28 Å²	28	61.4 Å²	61.4	20%	0.196	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-83.1	-16.3	174.7	64.1	0	0	0	0	113.2	C442 K458 S459 P460 Q464	C442-S462 WeakPolarHBondContact CB-O 3.16Å; K458-S462 PolarHBondContact N-OG 3.35Å; S459-S462 PolarHBondContact N-OG 3.02Å; S459-S462 WeakPolarHBondContact O-CB 3.4Å; S459-S462 PolarHBondContact O-N 3.44Å; S459-S462 PolarHBondContact O-OG 3.29Å; S459-S462 PolarHBondContact OG-N 2.9Å; P460-S462 PolarHBondContact O-N 2.96Å; S462-Q464 PolarHBondContact O-N 3.12Å
463	C	88.3	Confident	85.2	Confident	24 Å²	24	64.9 Å²	64.9	16%	0.162	35%	0.353	C	S	.	.			trans	-69.6	126.1	178.3	-61.6	0	0	0	0	111.8	C442 P460 A467 C476	C442-C463 CarbonylContact O-C 3.44Å; C442-C463 WeakPolarHBondContact O-CA 3.21Å; P460-C463 PolarHBondContact O-N 3.17Å; C463-A467 HydrophobicContact CB-CB 4.2Å; C463-C476 WeakPolarHBondContact CA-SG 3.38Å; C463-C476 HydrophobicContact CB-CB 4.01Å; C463-C476 WeakPolarHBondContact CB-SG 3.5Å; C463-C476 WeakPolarHBondContact SG-CB 3.46Å; C463-C476 CovalentContact SG-SG 2.05Å; C463-C476 PolarHBondContact SG-SG 3.46Å
464	Q	86.5	Confident	85	Confident	76 Å²	76	67.7 Å²	67.7	36%	0.355	37%	0.374	S	S	.	.			trans	-112.5	178.7	-179.8	-67	-172.4	91.1	0	0	111.6	K438 K439 I441 C442 D443 S462 N466 A467	K438-Q464 PolarHBondContact O-NE2 3.41Å; K438-Q464 PolarHBondContact O-OE1 2.82Å; K439-Q464 WeakPolarHBondContact O-CB 3.47Å; I441-Q464 PolarHBondContact O-NE2 2.92Å; C442-Q464 PolarHBondContact O-N 3.1Å; D443-Q464 WeakPolarHBondContact CB-O 3.37Å; S462-Q464 PolarHBondContact O-N 3.12Å; Q464-N466 PolarHBondContact O-N 3.46Å; Q464-A467 VanDerWaalsContact O-CB 3.24Å; Q464-A467 WeakPolarHBondContact O-CB 3.5Å; Q464-A467 PolarHBondContact O-N 2.78Å
465	N	81.6	Confident	84.9	Confident	61 Å²	61	71 Å²	71	33%	0.326	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.5	34.2	175	-149.2	21.4	0	0	0	115.1	D443 A467	D443-N465 HydrophobicContact CB-CB 3.43Å; D443-N465 VanDerWaalsContact CB-CB 3.43Å; D443-N465 WeakPolarHBondContact OD2-CB 3.38Å; D443-N465 PolarHBondContact OD2-ND2 2.79Å; N465-A467 VanDerWaalsContact C-N 3.29Å; N465-A467 PolarHBondContact O-N 3.5Å
466	N	80	Confident	85.2	Confident	120 Å²	120	67.3 Å²	67.3	64%	0.642	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.3	14.7	-175.3	-45.6	-61.7	0	0	0	116.6	Q464 Q479 I482	Q464-N466 PolarHBondContact O-N 3.46Å; N466-Q479 HydrophobicContact CB-CG 4.01Å; N466-Q479 PolarHBondContact ND2-OE1 3.11Å; N466-I482 VanDerWaalsContact O-CD1 3.32Å; N466-I482 WeakPolarHBondContact O-CD1 3.34Å
467	A	86.8	Confident	85.5	Confident	14 Å²	14	61.8 Å²	61.8	12%	0.116	34%	0.341	C	S	.	.			trans	-63.2	151.5	171	0	0	0	0	0	112.2	D443 C463 Q464 N465 C476 T477	D443-A467 HydrophobicContact CB-CB 4.43Å; D443-A467 VanDerWaalsContact O-CB 3.24Å; D443-A467 WeakPolarHBondContact O-CB 3.34Å; C463-A467 HydrophobicContact CB-CB 4.2Å; Q464-A467 VanDerWaalsContact O-CB 3.24Å; Q464-A467 WeakPolarHBondContact O-CB 3.5Å; Q464-A467 PolarHBondContact O-N 2.78Å; N465-A467 VanDerWaalsContact C-N 3.29Å; N465-A467 PolarHBondContact O-N 3.5Å; A467-C476 HydrophobicContact CB-CB 4.02Å; A467-T477 CarbonylContact C-O 3.56Å; A467-T477 VanDerWaalsContact CA-O 3.23Å; A467-T477 WeakPolarHBondContact CA-O 3.49Å; A467-T477 WeakPolarHBondContact CB-O 3.46Å
468	R	87.8	Confident	85.5	Confident	81 Å²	81	61.3 Å²	61.3	31%	0.306	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	135.3	-176.4	-160.9	-176.2	-169.3	154.2	-3.8	111.3	C470 T477 I482 S493 E494 L496	R468-C470 PolarHBondContact O-N 3.5Å; R468-T477 PolarHBondContact N-O 3.13Å; R468-T477 WeakPolarHBondContact O-CB 3.21Å; R468-T477 PolarHBondContact O-N 3.07Å; R468-I482 HydrophobicContact CB-CD1 3.82Å; R468-I482 HydrophobicContact CB-CG1 4.15Å; R468-S493 PolarHBondContact NE-O 2.98Å; R468-S493 PolarHBondContact NH1-O 2.91Å; R468-S493 PolarHBondContact NH2-O 3.43Å; R468-E494 PolarHBondContact NH1-O 3.34Å; R468-L496 PolarHBondContact NH1-O 3.06Å; R468-L496 PolarHBondContact NH2-O 2.91Å
469	W	89.5	Confident	85.6	Confident	38 Å²	38	57.7 Å²	57.7	14%	0.144	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	118.4	-178.2	179.3	-101.3	0	0	0	113.5	C457 P460 S471 S474	C457-W469 HydrophobicContact CB-CZ3 4.15Å; C457-W469 VanDerWaalsContact O-CH2 3.28Å; C457-W469 WeakPolarHBondContact O-CH2 3.16Å; C457-W469 WeakPolarHBondContact O-CZ3 3.29Å; P460-W469 HydrophobicContact CB-CB 4.01Å; P460-W469 HydrophobicContact CB-CD2 4.49Å; P460-W469 HydrophobicContact CB-CG 3.9Å; P460-W469 HydrophobicContact CG-CD2 4.36Å; P460-W469 HydrophobicContact CG-CG 3.94Å; W469-S471 PolarHBondContact O-N 2.89Å; W469-S474 WeakPolarHBondContact CH2-O 3.45Å; W469-S474 WeakPolarHBondContact CZ3-O 3.43Å
470	C	89.2	Confident	85.3	Confident	3 Å²	3	57.5 Å²	57.5	2%	0.02	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	94.4	171	173.5	0	0	0	0	110.6	R468 T472 N473 S474 N475 C489	R468-C470 PolarHBondContact O-N 3.5Å; C470-T472 PolarHBondContact O-N 3.45Å; C470-T472 VanDerWaalsContact O-N 3.07Å; C470-N473 PolarHBondContact O-N 3.27Å; C470-S474 PolarHBondContact O-N 3.07Å; C470-N475 WeakPolarHBondContact CB-O 3.44Å; C470-N475 PolarHBondContact N-O 2.81Å; C470-C489 WeakPolarHBondContact CA-SG 3.43Å; C470-C489 HydrophobicContact CB-CB 3.69Å; C470-C489 WeakPolarHBondContact CB-SG 3.2Å; C470-C489 VanDerWaalsContact SG-CA 3.55Å; C470-C489 WeakPolarHBondContact SG-CB 3.31Å; C470-C489 CovalentContact SG-SG 2.02Å; C470-C489 PolarHBondContact SG-SG 3.23Å
471	S	85.2	Confident	85.4	Confident	78 Å²	78	58.1 Å²	58.1	55%	0.545	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-23.3	-175.9	-62.6	0	0	0	0	115.7	W469	W469-S471 PolarHBondContact O-N 2.89Å
472	T	83.4	Confident	85.3	Confident	80 Å²	80	52 Å²	52	49%	0.491	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-42.1	-180	-47	0	0	0	0	112.1	C470 P490	C470-T472 PolarHBondContact O-N 3.45Å; C470-T472 VanDerWaalsContact O-N 3.07Å; T472-P490 HydrophobicContact CG2-CB 4.05Å; T472-P490 HydrophobicContact CG2-CG 4.09Å
473	N	81.8	Confident	85.3	Confident	86 Å²	86	50.8 Å²	50.8	46%	0.46	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-13.8	-175.2	-64.2	-5.1	0	0	0	112.8	C470 N475 P490	C470-N473 PolarHBondContact O-N 3.27Å; N473-N475 VanDerWaalsContact C-N 3.33Å; N473-N475 PolarHBondContact O-OD1 2.75Å; N473-P490 WeakPolarHBondContact ND2-CD 3.46Å; N473-P490 WeakPolarHBondContact OD1-CG 3.41Å
474	S	85	Confident	84.9	Confident	62 Å²	62	51.2 Å²	51.2	43%	0.434	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.1	34.5	-173.4	-51.8	0	0	0	0	114.4	W469 C470	W469-S474 WeakPolarHBondContact CH2-O 3.45Å; W469-S474 WeakPolarHBondContact CZ3-O 3.43Å; C470-S474 PolarHBondContact O-N 3.07Å
475	N	88	Confident	84.6	Confident	92 Å²	92	48.3 Å²	48.3	49%	0.492	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	161	175.9	-74.6	26.9	0	0	0	110.7	C470 N473	C470-N475 WeakPolarHBondContact CB-O 3.44Å; C470-N475 PolarHBondContact N-O 2.81Å; N473-N475 VanDerWaalsContact C-N 3.33Å; N473-N475 PolarHBondContact O-OD1 2.75Å
476	C	90.8	Very high	84.6	Confident	10 Å²	10	50 Å²	50	7%	0.068	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	140.6	167.7	-61.3	0	0	0	0	110.4	C442 G444 C463 A467	C442-C476 PolarHBondContact O-SG 2.95Å; C442-C476 VanDerWaalsContact O-SG 3.41Å; G444-C476 WeakPolarHBondContact CA-O 3.44Å; C463-C476 WeakPolarHBondContact CA-SG 3.38Å; C463-C476 HydrophobicContact CB-CB 4.01Å; C463-C476 WeakPolarHBondContact CB-SG 3.5Å; C463-C476 WeakPolarHBondContact SG-CB 3.46Å; C463-C476 CovalentContact SG-SG 2.05Å; C463-C476 PolarHBondContact SG-SG 3.46Å; A467-C476 HydrophobicContact CB-CB 4.02Å
477	T	88.1	Confident	84.9	Confident	13 Å²	13	48.3 Å²	48.3	8%	0.08	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	120.5	174.9	-61.5	0	0	0	0	108	A467 R468 H488 E494	A467-T477 CarbonylContact C-O 3.56Å; A467-T477 VanDerWaalsContact CA-O 3.23Å; A467-T477 WeakPolarHBondContact CA-O 3.49Å; A467-T477 WeakPolarHBondContact CB-O 3.46Å; R468-T477 PolarHBondContact N-O 3.13Å; R468-T477 WeakPolarHBondContact O-CB 3.21Å; R468-T477 PolarHBondContact O-N 3.07Å; T477-H488 HydrophobicContact CG2-CB 4.26Å; T477-E494 HydrophobicContact CG2-CB 4.09Å; T477-E494 HydrophobicContact CG2-CG 4.38Å
478	A	86.3	Confident	84.8	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-54.7	154.2	-176.4	0	0	0	0	0	113.9	D443 D445 W480 Y481	D443-A478 WeakPolarHBondContact O-CA 3.09Å; D445-A478 VanDerWaalsContact CG-CB 3.48Å; D445-A478 VanDerWaalsContact OD1-CB 3.32Å; D445-A478 WeakPolarHBondContact OD1-CB 3.32Å; D445-A478 WeakPolarHBondContact OD2-CB 3.34Å; A478-W480 HydrophobicContact CB-CD2 4.22Å; A478-W480 HydrophobicContact CB-CG 4.49Å; A478-W480 HydrophobicContact CB-CZ2 4.4Å; A478-W480 PolarHBondContact O-N 3.33Å; A478-W480 VanDerWaalsContact O-N 3.1Å; A478-Y481 HydrophobicContact CB-CD2 3.74Å; A478-Y481 HydrophobicContact CB-CE2 4.25Å; A478-Y481 PolarHBondContact O-N 3.3Å
479	Q	82.9	Confident	84.9	Confident	75 Å²	75	47 Å²	47	35%	0.35	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-56.6	-33	-174	-167.8	-169.2	-80.4	0	0	113.4	N466	N466-Q479 HydrophobicContact CB-CG 4.01Å; N466-Q479 PolarHBondContact ND2-OE1 3.11Å
480	W	76.3	Confident	84.7	Confident	37 Å²	37	49.3 Å²	49.3	14%	0.14	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-81.1	-14	179.6	50.8	72.9	0	0	0	114.9	A357 D445 A478 I482	A357-W480 HydrophobicContact CB-CB 4.32Å; D445-W480 HydrophobicContact CB-CH2 4.35Å; D445-W480 HydrophobicContact CB-CZ2 4.32Å; D445-W480 VanDerWaalsContact CG-CH2 3.42Å; D445-W480 WeakPolarHBondContact OD1-CZ2 3.44Å; D445-W480 WeakPolarHBondContact OD2-CH2 3.34Å; D445-W480 WeakPolarHBondContact OD2-CZ2 3.43Å; A478-W480 HydrophobicContact CB-CD2 4.22Å; A478-W480 HydrophobicContact CB-CG 4.49Å; A478-W480 HydrophobicContact CB-CZ2 4.4Å; A478-W480 PolarHBondContact O-N 3.33Å; A478-W480 VanDerWaalsContact O-N 3.1Å; W480-I482 VanDerWaalsContact C-N 3.28Å
481	Y	83.1	Confident	84.4	Confident	90 Å²	90	52.6 Å²	52.6	35%	0.353	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-92.1	15.9	171.7	-64.4	-43.8	0	0	0	112.3	A478 H488	A478-Y481 HydrophobicContact CB-CD2 3.74Å; A478-Y481 HydrophobicContact CB-CE2 4.25Å; A478-Y481 PolarHBondContact O-N 3.3Å; Y481-H488 AromaticContact CD1-CE1 3.31Å; Y481-H488 WeakPolarHBondContact CD1-CE1 3.24Å; Y481-H488 AromaticContact CD1-NE2 3.33Å; Y481-H488 VanDerWaalsContact CD1-NE2 3.33Å; Y481-H488 WeakPolarHBondContact CD1-NE2 3.35Å; Y481-H488 AromaticContact CE1-CE1 3.7Å; Y481-H488 AromaticContact CG-CE1 3.85Å; Y481-H488 AromaticContact CG-NE2 3.78Å
482	I	85	Confident	84.4	Confident	23 Å²	23	49.8 Å²	49.8	12%	0.118	28%	0.275	C	S	.	.	S	Bend	trans	-105.2	116.4	175.7	-59.4	172.1	0	0	0	108.1	N466 R468 W480	N466-I482 VanDerWaalsContact O-CD1 3.32Å; N466-I482 WeakPolarHBondContact O-CD1 3.34Å; R468-I482 HydrophobicContact CB-CD1 3.82Å; R468-I482 HydrophobicContact CB-CG1 4.15Å; W480-I482 VanDerWaalsContact C-N 3.28Å
483	C	85.7	Confident	84.6	Confident	3 Å²	3	46.9 Å²	46.9	2%	0.02	26%	0.257	C	S	.	.	S	Bend	trans	67.7	33.9	-179	-52.9	0	0	0	0	113.8	E495 C498 K502	C483-E495 WeakPolarHBondContact CA-OE1 3.32Å; C483-E495 VanDerWaalsContact CA-OE2 3.25Å; C483-E495 WeakPolarHBondContact CA-OE2 3Å; C483-E495 PolarHBondContact N-OE1 3.04Å; C483-C498 VanDerWaalsContact CA-SG 3.55Å; C483-C498 HydrophobicContact CB-CB 3.67Å; C483-C498 WeakPolarHBondContact CB-SG 3.13Å; C483-C498 WeakPolarHBondContact SG-CA 3.3Å; C483-C498 WeakPolarHBondContact SG-CB 3.31Å; C483-C498 CovalentContact SG-SG 2.02Å; C483-C498 PolarHBondContact SG-SG 2.67Å; C483-K502 HydrophobicContact CB-CB 3.69Å; C483-K502 HydrophobicContact CB-CD 4.42Å
484	D	79.1	Confident	84.9	Confident	33 Å²	33	42.8 Å²	42.8	18%	0.176	24%	0.236	C	C	.	.	S	Bend	trans	-92.1	0.6	177.8	78	-14	0	0	0	113.4	I486 H488 E495 L508	D484-I486 VanDerWaalsContact C-N 3.3Å; D484-I486 WeakPolarHBondContact OD1-CA 3.48Å; D484-I486 WeakPolarHBondContact OD1-CB 3.43Å; D484-I486 PolarHBondContact OD1-N 2.91Å; D484-H488 IonicContact OD1-CD2 3.88Å; D484-H488 IonicContact OD1-NE2 2.77Å; D484-H488 PolarHBondContact OD1-NE2 3.29Å; D484-H488 IonicContact OD2-CD2 2.76Å; D484-H488 IonicContact OD2-CE1 3.3Å; D484-H488 IonicContact OD2-NE2 2.95Å; D484-H488 PolarHBondContact OD2-NE2 2.94Å; D484-E495 PolarHBondContact N-OE1 2.78Å; D484-E495 PolarHBondContact N-OE2 2.84Å; D484-L508 WeakPolarHBondContact O-CD1 3.48Å
485	G	80.3	Confident	85.1	Confident	15 Å²	15	39.9 Å²	39.9	16%	0.155	22%	0.215	C	C	.	.	S	Bend	trans	77.8	8.7	-176.9	0	0	0	0	0	114.6	E495	G485-E495 VanDerWaalsContact CA-OE2 3.25Å; G485-E495 WeakPolarHBondContact CA-OE2 3.23Å; G485-E495 PolarHBondContact N-OE2 2.74Å
486	I	83.1	Confident	85.1	Confident	97 Å²	97	38.7 Å²	38.7	50%	0.497	21%	0.209	S	C	.	.	S	Bend	trans	-117.6	131	-179.2	-59.5	172.6	0	0	0	109.1	D484 H488	D484-I486 VanDerWaalsContact C-N 3.3Å; D484-I486 WeakPolarHBondContact OD1-CA 3.48Å; D484-I486 WeakPolarHBondContact OD1-CB 3.43Å; D484-I486 PolarHBondContact OD1-N 2.91Å; I486-H488 PolarHBondContact O-CD2 3.25Å; I486-H488 PolarHBondContact O-N 3.42Å
487	T	85.5	Confident	84.9	Confident	84 Å²	84	44.7 Å²	44.7	52%	0.515	24%	0.24	S	C	.	.			trans	-78.3	101.5	177.9	-55.2	0	0	0	0	110.5	C489 A492 E494	T487-C489 WeakPolarHBondContact CG2-O 3.49Å; T487-A492 HydrophobicContact CG2-CB 3.94Å; T487-E494 WeakPolarHBondContact CA-OE1 3.14Å
488	H	85.8	Confident	84.8	Confident	67 Å²	67	44.5 Å²	44.5	31%	0.31	24%	0.239	S	C	.	.			trans	-94	-25.7	176.9	-62	-80.6	0	0	0	113.1	T477 Y481 D484 I486 E494	T477-H488 HydrophobicContact CG2-CB 4.26Å; Y481-H488 AromaticContact CD1-CE1 3.31Å; Y481-H488 WeakPolarHBondContact CD1-CE1 3.24Å; Y481-H488 AromaticContact CD1-NE2 3.33Å; Y481-H488 VanDerWaalsContact CD1-NE2 3.33Å; Y481-H488 WeakPolarHBondContact CD1-NE2 3.35Å; Y481-H488 AromaticContact CE1-CE1 3.7Å; Y481-H488 AromaticContact CG-CE1 3.85Å; Y481-H488 AromaticContact CG-NE2 3.78Å; D484-H488 IonicContact OD1-CD2 3.88Å; D484-H488 IonicContact OD1-NE2 2.77Å; D484-H488 PolarHBondContact OD1-NE2 3.29Å; D484-H488 IonicContact OD2-CD2 2.76Å; D484-H488 IonicContact OD2-CE1 3.3Å; D484-H488 IonicContact OD2-NE2 2.95Å; D484-H488 PolarHBondContact OD2-NE2 2.94Å; I486-H488 PolarHBondContact O-CD2 3.25Å; I486-H488 PolarHBondContact O-N 3.42Å; H488-E494 HydrophobicContact CB-CG 4.33Å; H488-E494 PolarHBondContact N-OE1 3.24Å
489	C	88.2	Confident	84.6	Confident	1 Å²	1	47.7 Å²	47.7	1%	0.007	26%	0.258	C	S	.	.	S	Bend	trans	-104.9	140.3	169.5	-165.7	0	0	0	0	110.1	C470 T487 N491 A492 E494	C470-C489 WeakPolarHBondContact CA-SG 3.43Å; C470-C489 HydrophobicContact CB-CB 3.69Å; C470-C489 WeakPolarHBondContact CB-SG 3.2Å; C470-C489 VanDerWaalsContact SG-CA 3.55Å; C470-C489 WeakPolarHBondContact SG-CB 3.31Å; C470-C489 CovalentContact SG-SG 2.02Å; C470-C489 PolarHBondContact SG-SG 3.23Å; T487-C489 WeakPolarHBondContact CG2-O 3.49Å; C489-N491 WeakPolarHBondContact CB-OD1 3.23Å; C489-N491 PolarHBondContact O-N 2.6Å; C489-N491 PolarHBondContact SG-OD1 2.02Å; C489-A492 PolarHBondContact O-N 3.32Å; C489-E494 WeakPolarHBondContact CB-OE2 3.48Å; C489-E494 VanDerWaalsContact N-CD 3.26Å; C489-E494 PolarHBondContact N-OE1 2.82Å; C489-E494 PolarHBondContact N-OE2 3.2Å
490	P	85.3	Confident	84	Confident	87 Å²	87	46.4 Å²	46.4	57%	0.565	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-5.4	-179.7	-26.8	34.3	0	0	0	116.8	T472 N473	T472-P490 HydrophobicContact CG2-CB 4.05Å; T472-P490 HydrophobicContact CG2-CG 4.09Å; N473-P490 WeakPolarHBondContact ND2-CD 3.46Å; N473-P490 WeakPolarHBondContact OD1-CG 3.41Å
491	N	84.5	Confident	83.6	Confident	72 Å²	72	52.1 Å²	52.1	39%	0.385	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.8	8.1	175.3	68.5	0.9	0	0	0	113.5	C489 S493	C489-N491 WeakPolarHBondContact CB-OD1 3.23Å; C489-N491 PolarHBondContact O-N 2.6Å; C489-N491 PolarHBondContact SG-OD1 2.02Å; N491-S493 PolarHBondContact O-N 2.9Å; N491-S493 VanDerWaalsContact O-N 3.15Å; N491-S493 WeakPolarHBondContact OD1-CB 3.13Å; N491-S493 PolarHBondContact OD1-N 2.8Å; N491-S493 PolarHBondContact OD1-OG 3.21Å; N491-S493 VanDerWaalsContact OD1-OG 3.12Å
492	A	83.4	Confident	83	Confident	18 Å²	18	53 Å²	53	15%	0.149	29%	0.291	C	S	.	.			trans	52.4	27.1	-175.4	0	0	0	0	0	115.1	T487 C489 E494 E495 L496	T487-A492 HydrophobicContact CG2-CB 3.94Å; C489-A492 PolarHBondContact O-N 3.32Å; A492-E494 VanDerWaalsContact C-N 3.31Å; A492-E494 WeakPolarHBondContact CA-OE1 3.33Å; A492-E494 PolarHBondContact O-N 2.82Å; A492-E495 PolarHBondContact O-N 2.85Å; A492-E495 VanDerWaalsContact O-N 3.1Å; A492-L496 PolarHBondContact O-N 3.43Å
493	S	89.1	Confident	82.3	Confident	19 Å²	19	52.2 Å²	52.2	13%	0.133	29%	0.288	C	S	.	.			trans	-62.3	-35.9	-172	63.8	0	0	0	0	114	R468 N491 E495 L496	R468-S493 PolarHBondContact NE-O 2.98Å; R468-S493 PolarHBondContact NH1-O 2.91Å; R468-S493 PolarHBondContact NH2-O 3.43Å; N491-S493 PolarHBondContact O-N 2.9Å; N491-S493 VanDerWaalsContact O-N 3.15Å; N491-S493 WeakPolarHBondContact OD1-CB 3.13Å; N491-S493 PolarHBondContact OD1-N 2.8Å; N491-S493 PolarHBondContact OD1-OG 3.21Å; N491-S493 VanDerWaalsContact OD1-OG 3.12Å; S493-E495 VanDerWaalsContact C-N 3.3Å; S493-E495 PolarHBondContact O-N 3.48Å; S493-L496 PolarHBondContact O-N 3.1Å
494	E	87.7	Confident	81.2	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-40.5	173	63.2	-68.4	168.4	0	0	112.5	R468 T477 T487 H488 C489 A492 L496	R468-E494 PolarHBondContact NH1-O 3.34Å; T477-E494 HydrophobicContact CG2-CB 4.09Å; T477-E494 HydrophobicContact CG2-CG 4.38Å; T487-E494 WeakPolarHBondContact CA-OE1 3.14Å; H488-E494 HydrophobicContact CB-CG 4.33Å; H488-E494 PolarHBondContact N-OE1 3.24Å; C489-E494 WeakPolarHBondContact CB-OE2 3.48Å; C489-E494 VanDerWaalsContact N-CD 3.26Å; C489-E494 PolarHBondContact N-OE1 2.82Å; C489-E494 PolarHBondContact N-OE2 3.2Å; A492-E494 VanDerWaalsContact C-N 3.31Å; A492-E494 WeakPolarHBondContact CA-OE1 3.33Å; A492-E494 PolarHBondContact O-N 2.82Å; E494-L496 VanDerWaalsContact C-N 3.3Å; E494-L496 PolarHBondContact O-N 2.81Å
495	E	89	Confident	80.3	Confident	1 Å²	1	51.3 Å²	51.3	1%	0.005	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	0.8	179.1	-60.9	-47.8	97.5	0	0	113.7	C483 D484 G485 A492 S493 C498 M516 C517	C483-E495 WeakPolarHBondContact CA-OE1 3.32Å; C483-E495 VanDerWaalsContact CA-OE2 3.25Å; C483-E495 WeakPolarHBondContact CA-OE2 3Å; C483-E495 PolarHBondContact N-OE1 3.04Å; D484-E495 PolarHBondContact N-OE1 2.78Å; D484-E495 PolarHBondContact N-OE2 2.84Å; G485-E495 VanDerWaalsContact CA-OE2 3.25Å; G485-E495 WeakPolarHBondContact CA-OE2 3.23Å; G485-E495 PolarHBondContact N-OE2 2.74Å; A492-E495 PolarHBondContact O-N 2.85Å; A492-E495 VanDerWaalsContact O-N 3.1Å; S493-E495 VanDerWaalsContact C-N 3.3Å; S493-E495 PolarHBondContact O-N 3.48Å; E495-C498 PolarHBondContact O-SG 3.1Å; E495-C498 VanDerWaalsContact O-SG 3.4Å; E495-M516 HydrophobicContact CB-CE 4.49Å; E495-M516 HydrophobicContact CB-CG 4.15Å; E495-M516 WeakPolarHBondContact O-CA 3.26Å; E495-C517 WeakPolarHBondContact OE2-CB 3.28Å
496	L	88.4	Confident	79.1	Confident	68 Å²	68	52.2 Å²	52.2	36%	0.356	29%	0.294	S	S	.	.	S	Bend	trans	-94.5	140.5	178	-65.5	176.4	0	0	0	113.4	R468 A492 S493 E494	R468-L496 PolarHBondContact NH1-O 3.06Å; R468-L496 PolarHBondContact NH2-O 2.91Å; A492-L496 PolarHBondContact O-N 3.43Å; S493-L496 PolarHBondContact O-N 3.1Å; E494-L496 VanDerWaalsContact C-N 3.3Å; E494-L496 PolarHBondContact O-N 2.81Å
497	N	86.5	Confident	78.3	Confident	136 Å²	136	51.8 Å²	51.8	73%	0.727	29%	0.289	S	S	*	.	S	Bend	trans	63.1	40.7	176.4	-168.4	72.1	0	0	0	114.1	S514 G515	N497-S514 PolarHBondContact N-O 2.76Å; N497-G515 PolarHBondContact N-O 3.29Å; N497-G515 VanDerWaalsContact N-O 3.14Å
498	C	86.3	Confident	77.6	Confident	9 Å²	9	48.3 Å²	48.3	6%	0.061	27%	0.268	C	S	.	.			trans	-72	148.8	169.8	-57.7	0	0	0	0	112.3	C483 E495 L510 G515	C483-C498 VanDerWaalsContact CA-SG 3.55Å; C483-C498 HydrophobicContact CB-CB 3.67Å; C483-C498 WeakPolarHBondContact CB-SG 3.13Å; C483-C498 WeakPolarHBondContact SG-CA 3.3Å; C483-C498 WeakPolarHBondContact SG-CB 3.31Å; C483-C498 CovalentContact SG-SG 2.02Å; C483-C498 PolarHBondContact SG-SG 2.67Å; E495-C498 PolarHBondContact O-SG 3.1Å; E495-C498 VanDerWaalsContact O-SG 3.4Å; C498-L510 HydrophobicContact CB-CD1 3.83Å; C498-G515 WeakPolarHBondContact CA-O 3.43Å; C498-G515 WeakPolarHBondContact CB-O 3.37Å; C498-G515 PolarHBondContact N-O 2.99Å
499	T	82.3	Confident	77.2	Confident	66 Å²	66	46.2 Å²	46.2	41%	0.405	26%	0.262	S	S	.	.			trans	-98.9	162.4	169.6	61.8	0	0	0	0	109.8	E501 K502 C503	T499-E501 PolarHBondContact O-N 3.25Å; T499-K502 PolarHBondContact O-N 3.21Å; T499-K502 VanDerWaalsContact O-N 3.08Å; T499-C503 PolarHBondContact O-N 3.47Å
500	C	69.5	Low	76.9	Confident	48 Å²	48	48.2 Å²	48.2	32%	0.324	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-36	175.4	-51.8	0	0	0	0	112	V338 K502 C503 S504	V338-C500 HydrophobicContact CG1-CB 4.48Å; C500-K502 PolarHBondContact O-N 2.83Å; C500-C503 CarbonylContact O-C 3.58Å; C500-C503 PolarHBondContact O-N 2.8Å; C500-S504 WeakPolarHBondContact O-CB 3.14Å; C500-S504 PolarHBondContact O-N 2.92Å; C500-S504 VanDerWaalsContact O-N 3.1Å; C500-S504 PolarHBondContact O-OG 3.01Å
501	E	68.6	Low	77	Confident	158 Å²	158	44.2 Å²	44.2	74%	0.738	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-39.3	178.2	-60.9	173.5	157.5	0	0	112.9	T499 S504	T499-E501 PolarHBondContact O-N 3.25Å; E501-S504 WeakPolarHBondContact O-CB 3.34Å
502	K	70	Confident	76.9	Confident	108 Å²	108	46.4 Å²	46.4	47%	0.47	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-43.8	177	-62.1	-174.2	176.5	-168.6	0	111.6	C483 T499 C500 S504	C483-K502 HydrophobicContact CB-CB 3.69Å; C483-K502 HydrophobicContact CB-CD 4.42Å; T499-K502 PolarHBondContact O-N 3.21Å; T499-K502 VanDerWaalsContact O-N 3.08Å; C500-K502 PolarHBondContact O-N 2.83Å; K502-S504 PolarHBondContact O-N 3.08Å; K502-S504 VanDerWaalsContact O-N 3.1Å
503	C	71	Confident	76.8	Confident	7 Å²	7	53 Å²	53	5%	0.047	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	6.6	178.5	-139.2	0	0	0	0	114.3	T499 C500 A505 L510 C517	T499-C503 PolarHBondContact O-N 3.47Å; C500-C503 CarbonylContact O-C 3.58Å; C500-C503 PolarHBondContact O-N 2.8Å; C503-A505 PolarHBondContact O-N 2.84Å; C503-L510 HydrophobicContact CB-CB 4.2Å; C503-L510 HydrophobicContact CB-CD1 4.06Å; C503-C517 WeakPolarHBondContact CA-SG 3.24Å; C503-C517 HydrophobicContact CB-CB 4.48Å; C503-C517 WeakPolarHBondContact CB-SG 3.31Å; C503-C517 WeakPolarHBondContact SG-CA 3.33Å; C503-C517 WeakPolarHBondContact SG-CB 3.44Å; C503-C517 CovalentContact SG-SG 2.03Å; C503-C517 PolarHBondContact SG-SG 2.76Å
504	S	60.8	Low	76.6	Confident	14 Å²	14	53.4 Å²	53.4	10%	0.098	28%	0.28	C	S	.	.			trans	-74.5	11.8	-167.3	-83.2	0	0	0	0	115.4	H343 C500 E501 K502	H343-S504 CarbonylContact C-O 3.57Å; H343-S504 WeakPolarHBondContact CB-OG 3.41Å; H343-S504 VanDerWaalsContact O-O 3.13Å; C500-S504 WeakPolarHBondContact O-CB 3.14Å; C500-S504 PolarHBondContact O-N 2.92Å; C500-S504 VanDerWaalsContact O-N 3.1Å; C500-S504 PolarHBondContact O-OG 3.01Å; E501-S504 WeakPolarHBondContact O-CB 3.34Å; K502-S504 PolarHBondContact O-N 3.08Å; K502-S504 VanDerWaalsContact O-N 3.1Å
505	A	61.2	Low	76.5	Confident	3 Å²	3	53.8 Å²	53.8	3%	0.025	28%	0.283	C	S	.	.	S	Bend	trans	-66.9	142.7	176	0	0	0	0	0	110.5	C503 H507 L508	C503-A505 PolarHBondContact O-N 2.84Å; A505-H507 PolarHBondContact O-N 3.44Å; A505-L508 HydrophobicContact CB-CB 4.4Å; A505-L508 HydrophobicContact CB-CD1 3.76Å; A505-L508 HydrophobicContact CB-CG 3.93Å; A505-L508 PolarHBondContact O-N 3.11Å
506	G	55.5	Low	76.4	Confident	34 Å²	34	54.9 Å²	54.9	35%	0.351	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-14.6	-173.4	0	0	0	0	0	115.1	K520	G506-K520 WeakPolarHBondContact O-CD 3.43Å; G506-K520 VanDerWaalsContact O-CE 3.26Å; G506-K520 WeakPolarHBondContact O-CE 3.23Å; G506-K520 PolarHBondContact O-NZ 2.6Å
507	H	64.9	Low	76.3	Confident	88 Å²	88	51.7 Å²	51.7	41%	0.407	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.9	4.4	-179.7	59.7	-90.1	0	0	0	114.2	A505 S519 K520	A505-H507 PolarHBondContact O-N 3.44Å; H507-S519 CarbonylContact O-C 3.53Å; H507-S519 WeakPolarHBondContact O-CA 3.5Å; H507-S519 PolarHBondContact O-OG 2.04Å; H507-K520 PolarHBondContact O-N 3.33Å
508	L	71.4	Confident	76	Confident	11 Å²	11	45.5 Å²	45.5	6%	0.058	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	155.8	180	-63.8	178.1	0	0	0	113.3	D484 A505 I518 K520	D484-L508 WeakPolarHBondContact O-CD1 3.48Å; A505-L508 HydrophobicContact CB-CB 4.4Å; A505-L508 HydrophobicContact CB-CD1 3.76Å; A505-L508 HydrophobicContact CB-CG 3.93Å; A505-L508 PolarHBondContact O-N 3.11Å; L508-I518 CarbonylContact C-O 3.58Å; L508-I518 WeakPolarHBondContact CA-O 3.43Å; L508-K520 WeakPolarHBondContact O-CE 3.15Å; L508-K520 WeakPolarHBondContact O-CG 3.46Å
509	A	77.3	Confident	75.6	Confident	23 Å²	23	46.4 Å²	46.4	19%	0.19	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	145.7	173.6	0	0	0	0	0	109.8	C517 I518 K520 V523	A509-C517 WeakPolarHBondContact O-CA 3.33Å; A509-I518 HydrophobicContact CB-CG1 4.23Å; A509-I518 PolarHBondContact N-O 2.72Å; A509-I518 PolarHBondContact O-N 2.74Å; A509-K520 HydrophobicContact CB-CG 4.21Å; A509-V523 HydrophobicContact CB-CG2 3.47Å; A509-V523 VanDerWaalsContact CB-CG2 3.47Å
510	L	82.9	Confident	74.9	Confident	43 Å²	43	47.9 Å²	47.9	23%	0.225	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	114.2	-178	-176.6	72.9	0	0	0	110.4	C498 C503 R512 M516	C498-L510 HydrophobicContact CB-CD1 3.83Å; C503-L510 HydrophobicContact CB-CB 4.2Å; C503-L510 HydrophobicContact CB-CD1 4.06Å; L510-R512 PolarHBondContact O-N 2.99Å; L510-M516 CarbonylContact C-O 3.58Å; L510-M516 WeakPolarHBondContact CA-O 3.47Å
511	C	87.2	Confident	74.7	Confident	2 Å²	2	49.9 Å²	49.9	1%	0.014	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59	115	160.4	-51.5	0	0	0	0	108	S514 G515 M516 C530 E534	C511-S514 WeakPolarHBondContact CB-OG 3.34Å; C511-G515 CarbonylContact O-C 3.54Å; C511-G515 WeakPolarHBondContact O-CA 3.3Å; C511-G515 PolarHBondContact O-N 3.12Å; C511-M516 HydrophobicContact CB-CB 4.08Å; C511-M516 WeakPolarHBondContact CB-O 3.42Å; C511-M516 PolarHBondContact N-O 3.1Å; C511-M516 PolarHBondContact O-N 3.15Å; C511-C530 HydrophobicContact CB-CB 3.85Å; C511-C530 WeakPolarHBondContact CB-SG 3.49Å; C511-C530 WeakPolarHBondContact SG-CA 3.45Å; C511-C530 WeakPolarHBondContact SG-CB 3.25Å; C511-C530 CovalentContact SG-SG 2.04Å; C511-C530 PolarHBondContact SG-SG 2.81Å; C511-E534 VanDerWaalsContact CA-OE1 3.22Å; C511-E534 WeakPolarHBondContact CA-OE1 3.37Å; C511-E534 WeakPolarHBondContact CB-OE1 3.44Å
512	R	82.7	Confident	74.8	Confident	118 Å²	118	47.3 Å²	47.3	45%	0.445	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-33.1	-174.8	-57.9	-162.2	-163.7	77.5	16.1	113.8	P335 P336 L510 E534	P335-R512 VanDerWaalsContact C-NH2 3.29Å; P336-R512 PolarHBondContact O-NH2 3.13Å; L510-R512 PolarHBondContact O-N 2.99Å; R512-E534 WeakPolarHBondContact CB-OE2 3.36Å; R512-E534 VanDerWaalsContact N-CD 3.26Å; R512-E534 PolarHBondContact N-OE1 2.75Å; R512-E534 PolarHBondContact N-OE2 2.72Å; R512-E534 IonicContact NH1-OE2 3.54Å
513	Q	81	Confident	75	Confident	156 Å²	156	43.9 Å²	43.9	73%	0.729	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-43.7	-173.3	-66.6	-161.8	60.7	0	0	112.5	D532 E534	Q513-D532 VanDerWaalsContact CG-OD2 3.26Å; Q513-D532 WeakPolarHBondContact CG-OD2 3.24Å; Q513-D532 PolarHBondContact NE2-OD2 2.78Å; Q513-E534 PolarHBondContact N-OE1 2.95Å
514	S	84.8	Confident	74.8	Confident	28 Å²	28	44 Å²	44	20%	0.196	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-19.4	174.5	53.6	0	0	0	0	113.1	N497 C511 M516	N497-S514 PolarHBondContact N-O 2.76Å; C511-S514 WeakPolarHBondContact CB-OG 3.34Å; S514-M516 VanDerWaalsContact C-N 3.26Å; S514-M516 WeakPolarHBondContact OG-CB 3.44Å; S514-M516 PolarHBondContact OG-N 3.27Å
515	G	85.7	Confident	74.7	Confident	8 Å²	8	44.4 Å²	44.4	8%	0.082	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.4	38	-164	0	0	0	0	0	110.9	N497 C498 C511	N497-G515 PolarHBondContact N-O 3.29Å; N497-G515 VanDerWaalsContact N-O 3.14Å; C498-G515 WeakPolarHBondContact CA-O 3.43Å; C498-G515 WeakPolarHBondContact CB-O 3.37Å; C498-G515 PolarHBondContact N-O 2.99Å; C511-G515 CarbonylContact O-C 3.54Å; C511-G515 WeakPolarHBondContact O-CA 3.3Å; C511-G515 PolarHBondContact O-N 3.12Å
516	M	86.8	Confident	74.7	Confident	25 Å²	25	45.9 Å²	45.9	12%	0.123	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	138.7	-176.5	-174.8	177	169.4	0	0	112.6	E495 L510 C511 S514 I518 P531	E495-M516 HydrophobicContact CB-CE 4.49Å; E495-M516 HydrophobicContact CB-CG 4.15Å; E495-M516 WeakPolarHBondContact O-CA 3.26Å; L510-M516 CarbonylContact C-O 3.58Å; L510-M516 WeakPolarHBondContact CA-O 3.47Å; C511-M516 HydrophobicContact CB-CB 4.08Å; C511-M516 WeakPolarHBondContact CB-O 3.42Å; C511-M516 PolarHBondContact N-O 3.1Å; C511-M516 PolarHBondContact O-N 3.15Å; S514-M516 VanDerWaalsContact C-N 3.26Å; S514-M516 WeakPolarHBondContact OG-CB 3.44Å; S514-M516 PolarHBondContact OG-N 3.27Å; M516-I518 HydrophobicContact CE-CG2 4.39Å; M516-P531 HydrophobicContact SD-CG 4.48Å
517	C	85.8	Confident	75.2	Confident	1 Å²	1	48.7 Å²	48.7	1%	0.007	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	129.4	171.7	-67.9	0	0	0	0	110.7	E495 C503 A509	E495-C517 WeakPolarHBondContact OE2-CB 3.28Å; C503-C517 WeakPolarHBondContact CA-SG 3.24Å; C503-C517 HydrophobicContact CB-CB 4.48Å; C503-C517 WeakPolarHBondContact CB-SG 3.31Å; C503-C517 WeakPolarHBondContact SG-CA 3.33Å; C503-C517 WeakPolarHBondContact SG-CB 3.44Å; C503-C517 CovalentContact SG-SG 2.03Å; C503-C517 PolarHBondContact SG-SG 2.76Å; A509-C517 WeakPolarHBondContact O-CA 3.33Å
518	I	80.9	Confident	75.7	Confident	5 Å²	5	47.8 Å²	47.8	3%	0.026	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	157.1	171.8	63.1	165.3	0	0	0	108.2	L508 A509 M516 R522 V523 D529 D535	L508-I518 CarbonylContact C-O 3.58Å; L508-I518 WeakPolarHBondContact CA-O 3.43Å; A509-I518 HydrophobicContact CB-CG1 4.23Å; A509-I518 PolarHBondContact N-O 2.72Å; A509-I518 PolarHBondContact O-N 2.74Å; M516-I518 HydrophobicContact CE-CG2 4.39Å; I518-R522 HydrophobicContact CD1-CB 4.44Å; I518-V523 HydrophobicContact CD1-CG2 3.85Å; I518-V523 HydrophobicContact CG1-CG2 4.37Å; I518-D529 HydrophobicContact CB-CB 4.46Å; I518-D529 HydrophobicContact CD1-CB 4.32Å; I518-D529 HydrophobicContact CG2-CB 3.93Å; I518-D535 HydrophobicContact CD1-CB 3.83Å
519	S	76.5	Confident	76	Confident	29 Å²	29	48.6 Å²	48.6	20%	0.203	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	145.6	175.2	177.9	0	0	0	0	111	H507 N521 R522	H507-S519 CarbonylContact O-C 3.53Å; H507-S519 WeakPolarHBondContact O-CA 3.5Å; H507-S519 PolarHBondContact O-OG 2.04Å; S519-N521 WeakPolarHBondContact CB-OD1 3.46Å; S519-N521 PolarHBondContact O-N 3.47Å; S519-N521 VanDerWaalsContact O-N 3.15Å; S519-N521 PolarHBondContact OG-OD1 3.07Å; S519-R522 WeakPolarHBondContact O-CA 3.46Å; S519-R522 WeakPolarHBondContact O-CB 3.41Å; S519-R522 PolarHBondContact O-N 3.32Å
520	K	69.6	Low	76.3	Confident	96 Å²	96	47.7 Å²	47.7	42%	0.417	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-61.2	-24.4	-177.9	-76.7	-177.7	-174.2	177.9	0	113.7	G506 H507 L508 A509 R522 V523	G506-K520 WeakPolarHBondContact O-CD 3.43Å; G506-K520 VanDerWaalsContact O-CE 3.26Å; G506-K520 WeakPolarHBondContact O-CE 3.23Å; G506-K520 PolarHBondContact O-NZ 2.6Å; H507-K520 PolarHBondContact O-N 3.33Å; L508-K520 WeakPolarHBondContact O-CE 3.15Å; L508-K520 WeakPolarHBondContact O-CG 3.46Å; A509-K520 HydrophobicContact CB-CG 4.21Å; K520-R522 PolarHBondContact O-N 2.85Å; K520-V523 PolarHBondContact O-N 3.38Å
521	N	64.6	Low	76.3	Confident	91 Å²	91	50 Å²	50	49%	0.487	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-71	-17.5	172.6	66	-24.2	0	0	0	113	S519 D525	S519-N521 WeakPolarHBondContact CB-OD1 3.46Å; S519-N521 PolarHBondContact O-N 3.47Å; S519-N521 VanDerWaalsContact O-N 3.15Å; S519-N521 PolarHBondContact OG-OD1 3.07Å; N521-D525 WeakPolarHBondContact O-CB 3.23Å
522	R	71.4	Confident	76	Confident	104 Å²	104	51.9 Å²	51.9	39%	0.392	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-90.5	-4.9	173.8	-52.7	-163.9	-168.7	-172.2	-0.3	114.9	I518 S519 K520 C524 D525 D529	I518-R522 HydrophobicContact CD1-CB 4.44Å; S519-R522 WeakPolarHBondContact O-CA 3.46Å; S519-R522 WeakPolarHBondContact O-CB 3.41Å; S519-R522 PolarHBondContact O-N 3.32Å; K520-R522 PolarHBondContact O-N 2.85Å; R522-C524 PolarHBondContact O-N 2.02Å; R522-D525 WeakPolarHBondContact CA-OD2 3.43Å; R522-D529 HydrophobicContact CB-CB 4.43Å; R522-D529 VanDerWaalsContact CD-OD1 3.26Å; R522-D529 WeakPolarHBondContact CD-OD1 3.17Å; R522-D529 VanDerWaalsContact CD-OD2 3.32Å; R522-D529 WeakPolarHBondContact CD-OD2 3.44Å; R522-D529 IonicContact CZ-OD1 3.93Å; R522-D529 IonicContact NE-OD1 3.94Å; R522-D529 IonicContact NH1-OD1 3.78Å; R522-D529 PolarHBondContact NH1-OD1 2.87Å
523	V	72.6	Confident	75.8	Confident	36 Å²	36	49.6 Å²	49.6	22%	0.218	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82	112.7	171.3	177	0	0	0	0	107.7	A509 I518 K520 R740	A509-V523 HydrophobicContact CB-CG2 3.47Å; A509-V523 VanDerWaalsContact CB-CG2 3.47Å; I518-V523 HydrophobicContact CD1-CG2 3.85Å; I518-V523 HydrophobicContact CG1-CG2 4.37Å; K520-V523 PolarHBondContact O-N 3.38Å; V523-R740 PolarHBondContact O-NH1 3.33Å; V523-R740 PolarHBondContact O-NH2 3.37Å
524	C	66.9	Low	75.9	Confident	8 Å²	8	43.7 Å²	43.7	5%	0.054	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.3	41	-173.7	-56.6	0	0	0	0	114.1	R522 D535 E536 C539 W542 R740	R522-C524 PolarHBondContact O-N 2.02Å; C524-D535 PolarHBondContact N-O 2.81Å; C524-D535 VanDerWaalsContact N-O 3.14Å; C524-D535 PolarHBondContact SG-O 2.71Å; C524-D535 VanDerWaalsContact SG-O 3.39Å; C524-E536 WeakPolarHBondContact CA-OE1 3.42Å; C524-E536 PolarHBondContact N-OE1 2.81Å; C524-C539 WeakPolarHBondContact CA-SG 3.32Å; C524-C539 HydrophobicContact CB-CB 3.56Å; C524-C539 WeakPolarHBondContact CB-SG 2.98Å; C524-C539 WeakPolarHBondContact SG-CA 3.26Å; C524-C539 WeakPolarHBondContact SG-CB 3.32Å; C524-C539 CovalentContact SG-SG 2.03Å; C524-C539 PolarHBondContact SG-SG 2.81Å; C524-W542 WeakPolarHBondContact O-CZ2 2.95Å; C524-R740 PolarHBondContact O-NH1 3.31Å
525	D	60	Low	75.4	Confident	24 Å²	24	42.6 Å²	42.6	13%	0.128	23%	0.229	C	C	.	.	S	Bend	trans	-104.2	9	179.3	89.5	-12.2	0	0	0	114.5	N521 R522 I527 E536 P727	N521-D525 WeakPolarHBondContact O-CB 3.23Å; R522-D525 WeakPolarHBondContact CA-OD2 3.43Å; D525-I527 PolarHBondContact O-N 2.86Å; D525-I527 WeakPolarHBondContact OD1-CA 3.26Å; D525-I527 WeakPolarHBondContact OD1-CB 3.36Å; D525-I527 PolarHBondContact OD1-N 2.8Å; D525-E536 PolarHBondContact N-OE1 3.32Å; D525-E536 PolarHBondContact N-OE2 3.07Å; D525-P727 VanDerWaalsContact C-CB 3.43Å; D525-P727 HydrophobicContact CB-CG 4.32Å; D525-P727 WeakPolarHBondContact O-CB 2.99Å; D525-P727 WeakPolarHBondContact O-CD 3Å; D525-P727 WeakPolarHBondContact O-CG 2.83Å
526	G	60.4	Low	74.7	Confident	34 Å²	34	44.1 Å²	44.1	35%	0.351	23%	0.234	S	C	.	.	S	Bend	trans	78.8	-9.9	179.3	0	0	0	0	0	114.2	E536	G526-E536 VanDerWaalsContact CA-OE2 3.23Å; G526-E536 WeakPolarHBondContact CA-OE2 3.03Å; G526-E536 VanDerWaalsContact N-CD 3.33Å; G526-E536 PolarHBondContact N-OE2 3.18Å
527	I	65	Low	73.9	Confident	93 Å²	93	47.6 Å²	47.6	48%	0.477	25%	0.253	S	S	.	.	S	Bend	trans	-96.7	151.2	175.9	-52.2	178.2	0	0	0	108.3	D525 E536	D525-I527 PolarHBondContact O-N 2.86Å; D525-I527 WeakPolarHBondContact OD1-CA 3.26Å; D525-I527 WeakPolarHBondContact OD1-CB 3.36Å; D525-I527 PolarHBondContact OD1-N 2.8Å; I527-E536 WeakPolarHBondContact O-CG 3.49Å
528	I	75.7	Confident	72.9	Confident	69 Å²	69	53.2 Å²	53.2	35%	0.354	28%	0.283	S	S	.	.			trans	-96.1	96.2	175.5	-64.8	155.4	0	0	0	107.1	C530 Q533	I528-C530 VanDerWaalsContact CG2-O 3.23Å; I528-C530 WeakPolarHBondContact CG2-O 3.28Å; I528-Q533 HydrophobicContact CD1-CG 4.17Å; I528-Q533 VanDerWaalsContact CD1-NE2 3.29Å; I528-Q533 HydrophobicContact CG1-CB 4.4Å; I528-Q533 HydrophobicContact CG1-CG 4.09Å; I528-Q533 HydrophobicContact CG2-CB 4.39Å; I528-Q533 HydrophobicContact CG2-CG 3.84Å
529	D	77.7	Confident	72	Confident	28 Å²	28	53.6 Å²	53.6	15%	0.15	29%	0.285	C	S	.	.			trans	-95.5	-34.9	175	-82.1	-81.2	0	0	0	112	I518 R522 D535	I518-D529 HydrophobicContact CB-CB 4.46Å; I518-D529 HydrophobicContact CD1-CB 4.32Å; I518-D529 HydrophobicContact CG2-CB 3.93Å; R522-D529 HydrophobicContact CB-CB 4.43Å; R522-D529 VanDerWaalsContact CD-OD1 3.26Å; R522-D529 WeakPolarHBondContact CD-OD1 3.17Å; R522-D529 VanDerWaalsContact CD-OD2 3.32Å; R522-D529 WeakPolarHBondContact CD-OD2 3.44Å; R522-D529 IonicContact CZ-OD1 3.93Å; R522-D529 IonicContact NE-OD1 3.94Å; R522-D529 IonicContact NH1-OD1 3.78Å; R522-D529 PolarHBondContact NH1-OD1 2.87Å; D529-D535 WeakPolarHBondContact CA-OD2 3.01Å; D529-D535 WeakPolarHBondContact CB-OD2 2.88Å; D529-D535 PolarHBondContact N-OD2 3.32Å
530	C	83.9	Confident	70.9	Confident	3 Å²	3	53.8 Å²	53.8	2%	0.02	29%	0.286	C	S	.	.	S	Bend	trans	-79.9	132.2	167.9	-66.2	0	0	0	0	110.7	C511 I528 D532 Q533 E534 D535	C511-C530 HydrophobicContact CB-CB 3.85Å; C511-C530 WeakPolarHBondContact CB-SG 3.49Å; C511-C530 WeakPolarHBondContact SG-CA 3.45Å; C511-C530 WeakPolarHBondContact SG-CB 3.25Å; C511-C530 CovalentContact SG-SG 2.04Å; C511-C530 PolarHBondContact SG-SG 2.81Å; I528-C530 VanDerWaalsContact CG2-O 3.23Å; I528-C530 WeakPolarHBondContact CG2-O 3.28Å; C530-D532 PolarHBondContact O-N 2.66Å; C530-Q533 PolarHBondContact O-N 3.41Å; C530-E534 HydrophobicContact CB-CG 3.91Å; C530-D535 HydrophobicContact CB-CB 4.19Å; C530-D535 PolarHBondContact N-OD2 2.03Å
531	P	84.1	Confident	70	Confident	91 Å²	91	49.7 Å²	49.7	59%	0.591	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-20.9	-177.3	-29	36.5	0	0	0	116.3	M516	M516-P531 HydrophobicContact SD-CG 4.48Å
532	D	79.5	Confident	69.7	Low	43 Å²	43	48.9 Å²	48.9	23%	0.23	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106	5.1	-180	66.2	-35.9	0	0	0	113.8	Q513 C530 E534	Q513-D532 VanDerWaalsContact CG-OD2 3.26Å; Q513-D532 WeakPolarHBondContact CG-OD2 3.24Å; Q513-D532 PolarHBondContact NE2-OD2 2.78Å; C530-D532 PolarHBondContact O-N 2.66Å; D532-E534 VanDerWaalsContact C-N 3.27Å; D532-E534 PolarHBondContact O-N 3.43Å; D532-E534 WeakPolarHBondContact OD1-CG 3Å; D532-E534 WeakPolarHBondContact OD2-CB 3.4Å
533	Q	79.6	Confident	68.9	Low	69 Å²	69	44.4 Å²	44.4	32%	0.322	25%	0.246	S	C	.	.	S	Bend	trans	68	17.5	-179	-34.5	-170.3	-26.6	0	0	113.8	I528 C530 D535 E536 L537	I528-Q533 HydrophobicContact CD1-CG 4.17Å; I528-Q533 VanDerWaalsContact CD1-NE2 3.29Å; I528-Q533 HydrophobicContact CG1-CB 4.4Å; I528-Q533 HydrophobicContact CG1-CG 4.09Å; I528-Q533 HydrophobicContact CG2-CB 4.39Å; I528-Q533 HydrophobicContact CG2-CG 3.84Å; C530-Q533 PolarHBondContact O-N 3.41Å; Q533-D535 VanDerWaalsContact C-N 3.3Å; Q533-D535 VanDerWaalsContact CA-OD1 3.23Å; Q533-D535 WeakPolarHBondContact CA-OD1 3.02Å; Q533-D535 PolarHBondContact O-N 2.9Å; Q533-E536 PolarHBondContact O-N 3.23Å; Q533-E536 VanDerWaalsContact O-N 3.11Å; Q533-L537 WeakPolarHBondContact O-CG 3.08Å; Q533-L537 PolarHBondContact O-N 2.84Å
534	E	82.1	Confident	67.9	Low	32 Å²	32	50.7 Å²	50.7	15%	0.15	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-71.3	-20.2	-174.8	72.5	-178.9	131.2	0	0	115.4	C511 R512 Q513 C530 D532 E536	C511-E534 VanDerWaalsContact CA-OE1 3.22Å; C511-E534 WeakPolarHBondContact CA-OE1 3.37Å; C511-E534 WeakPolarHBondContact CB-OE1 3.44Å; R512-E534 WeakPolarHBondContact CB-OE2 3.36Å; R512-E534 VanDerWaalsContact N-CD 3.26Å; R512-E534 PolarHBondContact N-OE1 2.75Å; R512-E534 PolarHBondContact N-OE2 2.72Å; R512-E534 IonicContact NH1-OE2 3.54Å; Q513-E534 PolarHBondContact N-OE1 2.95Å; C530-E534 HydrophobicContact CB-CG 3.91Å; D532-E534 VanDerWaalsContact C-N 3.27Å; D532-E534 PolarHBondContact O-N 3.43Å; D532-E534 WeakPolarHBondContact OD1-CG 3Å; D532-E534 WeakPolarHBondContact OD2-CB 3.4Å; E534-E536 VanDerWaalsContact C-N 3.34Å
535	D	73.8	Confident	67	Low	6 Å²	6	55.1 Å²	55.1	3%	0.032	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-58.9	-40.6	164.5	46.7	-12	0	0	0	112.7	I518 C524 D529 C530 Q533 C539	I518-D535 HydrophobicContact CD1-CB 3.83Å; C524-D535 PolarHBondContact N-O 2.81Å; C524-D535 VanDerWaalsContact N-O 3.14Å; C524-D535 PolarHBondContact SG-O 2.71Å; C524-D535 VanDerWaalsContact SG-O 3.39Å; D529-D535 WeakPolarHBondContact CA-OD2 3.01Å; D529-D535 WeakPolarHBondContact CB-OD2 2.88Å; D529-D535 PolarHBondContact N-OD2 3.32Å; C530-D535 HydrophobicContact CB-CB 4.19Å; C530-D535 PolarHBondContact N-OD2 2.03Å; Q533-D535 VanDerWaalsContact C-N 3.3Å; Q533-D535 VanDerWaalsContact CA-OD1 3.23Å; Q533-D535 WeakPolarHBondContact CA-OD1 3.02Å; Q533-D535 PolarHBondContact O-N 2.9Å; D535-C539 PolarHBondContact O-SG 2.82Å
536	E	71.1	Confident	66.5	Low	40 Å²	40	63.3 Å²	63.3	19%	0.187	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-97.1	12.7	-176.5	-60.5	-51	111.8	0	0	114	C524 D525 G526 I527 Q533 E534	C524-E536 WeakPolarHBondContact CA-OE1 3.42Å; C524-E536 PolarHBondContact N-OE1 2.81Å; D525-E536 PolarHBondContact N-OE1 3.32Å; D525-E536 PolarHBondContact N-OE2 3.07Å; G526-E536 VanDerWaalsContact CA-OE2 3.23Å; G526-E536 WeakPolarHBondContact CA-OE2 3.03Å; G526-E536 VanDerWaalsContact N-CD 3.33Å; G526-E536 PolarHBondContact N-OE2 3.18Å; I527-E536 WeakPolarHBondContact O-CG 3.49Å; Q533-E536 PolarHBondContact O-N 3.23Å; Q533-E536 VanDerWaalsContact O-N 3.11Å; E534-E536 VanDerWaalsContact C-N 3.34Å
537	L	70.6	Confident	66.1	Low	97 Å²	97	66.9 Å²	66.9	51%	0.508	35%	0.347	S	S	.	.	S	Bend	trans	-98.6	133.7	177	-71.7	178.3	0	0	0	112.6	Q533 C539	Q533-L537 WeakPolarHBondContact O-CG 3.08Å; Q533-L537 PolarHBondContact O-N 2.84Å; L537-C539 VanDerWaalsContact C-N 3.26Å; L537-C539 PolarHBondContact O-N 3.47Å
538	N	65	Low	65.5	Low	120 Å²	120	69.2 Å²	69.2	64%	0.642	35%	0.354	S	S	*	.	S	Bend	trans	60.8	28.8	174.5	-49.5	-47.2	0	0	0	114.8
539	C	61.6	Low	64.7	Low	12 Å²	12	68 Å²	68	8%	0.081	35%	0.35	C	S	.	.			trans	-62.2	121.9	176.8	-62.4	0	0	0	0	111.7	C524 D535 L537 W542	C524-C539 WeakPolarHBondContact CA-SG 3.32Å; C524-C539 HydrophobicContact CB-CB 3.56Å; C524-C539 WeakPolarHBondContact CB-SG 2.98Å; C524-C539 WeakPolarHBondContact SG-CA 3.26Å; C524-C539 WeakPolarHBondContact SG-CB 3.32Å; C524-C539 CovalentContact SG-SG 2.03Å; C524-C539 PolarHBondContact SG-SG 2.81Å; D535-C539 PolarHBondContact O-SG 2.82Å; L537-C539 VanDerWaalsContact C-N 3.26Å; L537-C539 PolarHBondContact O-N 3.47Å; C539-W542 HydrophobicContact CB-CB 4.4Å; C539-W542 HydrophobicContact CB-CD2 4.23Å; C539-W542 HydrophobicContact CB-CG 3.72Å; C539-W542 WeakPolarHBondContact O-CB 3.25Å; C539-W542 PolarHBondContact O-N 3.42Å
540	P	53	Low	64.1	Low	34 Å²	34	72.6 Å²	72.6	22%	0.221	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	149.4	-179.8	27.2	-29	0	0	0	111.5	W542 F729 F762	P540-W542 PolarHBondContact O-N 3.48Å; P540-F729 WeakPolarHBondContact O-CE2 3.42Å; P540-F762 HydrophobicContact CB-CE2 4.41Å; P540-F762 HydrophobicContact CG-CD1 4.45Å; P540-F762 HydrophobicContact CG-CD2 3.48Å; P540-F762 VanDerWaalsContact CG-CD2 3.48Å; P540-F762 HydrophobicContact CG-CE1 4.18Å; P540-F762 HydrophobicContact CG-CE2 3.15Å; P540-F762 HydrophobicContact CG-CG 4.13Å; P540-F762 HydrophobicContact CG-CZ 3.53Å
541	G	52.2	Low	63.4	Low	10 Å²	10	77.2 Å²	77.2	10%	0.103	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.5	-8.7	-169.1	0	0	0	0	0	113.5	M730	G541-M730 VanDerWaalsContact O-CB 3.25Å; G541-M730 WeakPolarHBondContact O-CB 3.33Å; G541-M730 PolarHBondContact O-N 3.11Å
542	W	56.7	Low	62.9	Low	73 Å²	73	73.8 Å²	73.8	28%	0.277	36%	0.364	S	S	.	.	S	Bend	trans	-90.4	148.2	172.4	-60.4	64.7	0	0	0	110.2	C524 C539 P540 P727	C524-W542 WeakPolarHBondContact O-CZ2 2.95Å; C539-W542 HydrophobicContact CB-CB 4.4Å; C539-W542 HydrophobicContact CB-CD2 4.23Å; C539-W542 HydrophobicContact CB-CG 3.72Å; C539-W542 WeakPolarHBondContact O-CB 3.25Å; C539-W542 PolarHBondContact O-N 3.42Å; P540-W542 PolarHBondContact O-N 3.48Å; W542-P727 HydrophobicContact CH2-CB 3.7Å; W542-P727 HydrophobicContact CZ2-CB 3.62Å
543	C	55	Low	62.7	Low	11 Å²	11	77.8 Å²	77.8	7%	0.074	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-75.5	139.8	167.4	-55.2	0	0	0	0	109.2	C701 V719 K722	C543-C701 WeakPolarHBondContact CA-SG 3.39Å; C543-C701 HydrophobicContact CB-CB 3.48Å; C543-C701 VanDerWaalsContact CB-CB 3.48Å; C543-C701 WeakPolarHBondContact CB-SG 3.39Å; C543-C701 WeakPolarHBondContact SG-CA 3.41Å; C543-C701 WeakPolarHBondContact SG-CB 3.41Å; C543-C701 CovalentContact SG-SG 2.04Å; C543-C701 PolarHBondContact SG-SG 3.17Å; C543-V719 HydrophobicContact CB-CG1 3.57Å; C543-K722 WeakPolarHBondContact O-CE 3.37Å; C543-K722 PolarHBondContact O-NZ 2.85Å
544	E	50.9	Low	62.6	Low	168 Å²	168	74.8 Å²	74.8	79%	0.785	37%	0.368	S	S	*	.	P	Polyproline II helix	trans	-71.1	135.6	171.9	-73.2	-177.3	138.1	0	0	110.9	K722	E544-K722 PolarHBondContact O-NZ 2.88Å
545	M	49.8	Very low	62.2	Low	100 Å²	100	81.3 Å²	81.3	49%	0.493	40%	0.398	S	S	.	.			trans	-85.9	114.4	176	-69.8	-166.1	93.5	0	0	110.1	T547 P549 K722	M545-T547 PolarHBondContact O-N 3.48Å; M545-P549 HydrophobicContact CE-CG 4.07Å; M545-K722 HydrophobicContact CE-CD 4.09Å; M545-K722 HydrophobicContact CG-CD 3.62Å; M545-K722 VanDerWaalsContact CG-NZ 3.29Å; M545-K722 HydrophobicContact SD-CD 4.22Å
546	E	47.9	Very low	61.9	Low	197 Å²	197	84.3 Å²	84.3	92%	0.921	43%	0.431	S	S	*	.	S	Bend	trans	-63.5	-24	170.6	-65.4	-165.7	163.6	0	0	112.5
547	T	53.2	Low	61.7	Low	108 Å²	108	84.3 Å²	84.3	66%	0.663	44%	0.442	S	S	*	.	S	Bend	trans	-141.1	131.3	177	54	0	0	0	0	111.8	M545	M545-T547 PolarHBondContact O-N 3.48Å
548	K	52.7	Low	61.4	Low	143 Å²	143	83.1 Å²	83.1	62%	0.622	44%	0.438	S	S	*	.	P	Polyproline II helix	trans	-66.7	129	170.8	-173.8	164.6	-176.4	154.9	0	109.5
549	P	57.3	Low	61.4	Low	43 Å²	43	81.8 Å²	81.8	28%	0.279	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-68	146.5	-177.4	27.6	-32.6	0	0	0	110.5	M545 R551	M545-P549 HydrophobicContact CE-CG 4.07Å; P549-R551 PolarHBondContact O-N 3.35Å
550	E	65.3	Low	61.4	Low	125 Å²	125	84.3 Å²	84.3	58%	0.584	44%	0.437	S	S	*	.	P	Polyproline II helix	trans	-64	133	174.2	-165.7	-178.1	167.7	0	0	109	K562	E550-K562 HydrophobicContact CB-CB 4.39Å; E550-K562 HydrophobicContact CB-CD 4.11Å; E550-K562 HydrophobicContact CG-CD 4.03Å; E550-K562 VanDerWaalsContact O-CB 3.26Å; E550-K562 WeakPolarHBondContact O-CB 3.41Å; E550-K562 PolarHBondContact O-N 2.04Å; E550-K562 IonicContact OE1-NZ 3.99Å; E550-K562 PolarHBondContact OE1-NZ 3.48Å; E550-K562 VanDerWaalsContact OE2-CD 3.31Å; E550-K562 WeakPolarHBondContact OE2-CD 3.33Å; E550-K562 IonicContact OE2-NZ 2.75Å; E550-K562 PolarHBondContact OE2-NZ 3.23Å
551	R	70.1	Confident	62	Low	99 Å²	99	84.3 Å²	84.3	37%	0.374	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	141.7	-180	-69.6	-171.5	175.8	-124.9	3.8	110.8	P549 M559 Y560	P549-R551 PolarHBondContact O-N 3.35Å; R551-M559 HydrophobicContact CB-CE 3.87Å; R551-M559 PolarHBondContact NH1-O 3.31Å; R551-Y560 CarbonylContact C-O 3.58Å; R551-Y560 WeakPolarHBondContact CA-O 3.37Å; R551-Y560 WeakPolarHBondContact CB-O 3.47Å
552	I	73	Confident	62.7	Low	19 Å²	19	86.9 Å²	86.9	10%	0.097	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	136.9	177.5	-67	177.3	0	0	0	109	M559 Y560 K562 P578	I552-M559 WeakPolarHBondContact O-CA 3.42Å; I552-Y560 PolarHBondContact N-O 3.21Å; I552-Y560 PolarHBondContact O-N 3.48Å; I552-K562 HydrophobicContact CD1-CB 4.14Å; I552-K562 HydrophobicContact CD1-CD 4.39Å; I552-K562 HydrophobicContact CD1-CG 3.82Å; I552-K562 HydrophobicContact CG1-CB 4.19Å; I552-K562 HydrophobicContact CG1-CG 4.3Å; I552-P578 HydrophobicContact CD1-CG 4.34Å
553	E	75.7	Confident	63.1	Low	128 Å²	128	88.7 Å²	88.7	60%	0.598	46%	0.461	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.8	119	169.6	-165	-179.7	163.9	0	0	109.4	M559 S576	E553-M559 VanDerWaalsContact CA-SD 3.58Å; E553-M559 HydrophobicContact CB-SD 3.54Å; E553-M559 VanDerWaalsContact CB-SD 3.54Å; E553-M559 HydrophobicContact CG-SD 3.95Å; E553-S576 PolarHBondContact O-OG 2.63Å
554	C	77.5	Confident	63.5	Low	6 Å²	6	89.8 Å²	89.8	4%	0.041	47%	0.47	C	S	.	.	P	Polyproline II helix	trans	-98.1	173.6	178.4	-59.4	0	0	0	0	112.1	G556 G557 V558 Y560 C573	C554-G556 PolarHBondContact O-N 2.84Å; C554-G556 VanDerWaalsContact O-N 3.1Å; C554-G557 PolarHBondContact O-N 3.48Å; C554-V558 PolarHBondContact N-O 3.33Å; C554-Y560 HydrophobicContact CB-CD2 4.15Å; C554-Y560 HydrophobicContact CB-CE2 4.18Å; C554-C573 HydrophobicContact CB-CB 3.91Å; C554-C573 WeakPolarHBondContact CB-SG 3.33Å; C554-C573 WeakPolarHBondContact SG-CB 3.09Å; C554-C573 CovalentContact SG-SG 2.02Å; C554-C573 PolarHBondContact SG-SG 2.67Å
555	H	73.6	Confident	64.5	Low	168 Å²	168	81.9 Å²	81.9	78%	0.778	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	119.6	178	-163.6	88.2	0	0	0	110.1	S572	H555-S572 WeakPolarHBondContact CB-O 3.33Å; H555-S572 PolarHBondContact N-O 3.43Å; H555-S572 VanDerWaalsContact N-O 3.16Å
556	G	68.2	Low	65.9	Low	70 Å²	70	77.5 Å²	77.5	72%	0.722	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	106.5	-1.5	-171.3	0	0	0	0	0	115.5	C554	C554-G556 PolarHBondContact O-N 2.84Å; C554-G556 VanDerWaalsContact O-N 3.1Å
557	G	67	Low	67.3	Low	40 Å²	40	68.5 Å²	68.5	41%	0.412	37%	0.371	S	S	.	.	S	Bend	trans	82.2	10.3	173.8	0	0	0	0	0	115	C554	C554-G557 PolarHBondContact O-N 3.48Å
558	V	63.7	Low	68.4	Low	71 Å²	71	63.6 Å²	63.6	43%	0.43	34%	0.342	S	S	.	.			trans	-83.3	133.1	-179.9	-172.8	0	0	0	0	110.2	C554 Y560	C554-V558 PolarHBondContact N-O 3.33Å; V558-Y560 HydrophobicContact CB-CD2 4.21Å; V558-Y560 HydrophobicContact CB-CE2 3.62Å; V558-Y560 HydrophobicContact CG1-CD2 3.92Å; V558-Y560 HydrophobicContact CG1-CE1 4.2Å; V558-Y560 HydrophobicContact CG1-CE2 3.4Å; V558-Y560 VanDerWaalsContact CG1-CE2 3.4Å
559	M	64.7	Low	69.7	Low	92 Å²	92	62 Å²	62	45%	0.453	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	98.1	-171.4	-71.1	-66.9	-71.2	0	0	112.4	R551 I552 E553	R551-M559 HydrophobicContact CB-CE 3.87Å; R551-M559 PolarHBondContact NH1-O 3.31Å; I552-M559 WeakPolarHBondContact O-CA 3.42Å; E553-M559 VanDerWaalsContact CA-SD 3.58Å; E553-M559 HydrophobicContact CB-SD 3.54Å; E553-M559 VanDerWaalsContact CB-SD 3.54Å; E553-M559 HydrophobicContact CG-SD 3.95Å
560	Y	62.2	Low	70.5	Confident	66 Å²	66	61.5 Å²	61.5	26%	0.259	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	152.6	-175.5	-65	-89.8	0	0	0	112.6	R551 I552 C554 V558 K562 V565 V570	R551-Y560 CarbonylContact C-O 3.58Å; R551-Y560 WeakPolarHBondContact CA-O 3.37Å; R551-Y560 WeakPolarHBondContact CB-O 3.47Å; I552-Y560 PolarHBondContact N-O 3.21Å; I552-Y560 PolarHBondContact O-N 3.48Å; C554-Y560 HydrophobicContact CB-CD2 4.15Å; C554-Y560 HydrophobicContact CB-CE2 4.18Å; V558-Y560 HydrophobicContact CB-CD2 4.21Å; V558-Y560 HydrophobicContact CB-CE2 3.62Å; V558-Y560 HydrophobicContact CG1-CD2 3.92Å; V558-Y560 HydrophobicContact CG1-CE1 4.2Å; V558-Y560 HydrophobicContact CG1-CE2 3.4Å; V558-Y560 VanDerWaalsContact CG1-CE2 3.4Å; Y560-K562 PolarHBondContact O-N 2.61Å; Y560-V565 HydrophobicContact CG-CG2 4.05Å; Y560-V570 HydrophobicContact CE2-CG1 4.4Å
561	P	66.1	Low	71	Confident	34 Å²	34	62.3 Å²	62.3	22%	0.221	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	126.3	174.4	-19.9	32.7	0	0	0	112.1	D563 A564 V565	P561-D563 PolarHBondContact O-N 3.39Å; P561-D563 VanDerWaalsContact O-N 3.1Å; P561-A564 HydrophobicContact CB-CB 4.46Å; P561-A564 PolarHBondContact O-N 3.22Å; P561-V565 WeakPolarHBondContact O-CG2 3.43Å; P561-V565 PolarHBondContact O-N 3.31Å
562	K	66.1	Low	71.2	Confident	63 Å²	63	60.2 Å²	60.2	27%	0.274	34%	0.335	S	S	.	.	H	α-helix	trans	-48.8	-42.3	-175	175.9	166.8	-178.7	177.6	0	114	E550 I552 Y560 A564 V565	E550-K562 HydrophobicContact CB-CB 4.39Å; E550-K562 HydrophobicContact CB-CD 4.11Å; E550-K562 HydrophobicContact CG-CD 4.03Å; E550-K562 VanDerWaalsContact O-CB 3.26Å; E550-K562 WeakPolarHBondContact O-CB 3.41Å; E550-K562 PolarHBondContact O-N 2.04Å; E550-K562 IonicContact OE1-NZ 3.99Å; E550-K562 PolarHBondContact OE1-NZ 3.48Å; E550-K562 VanDerWaalsContact OE2-CD 3.31Å; E550-K562 WeakPolarHBondContact OE2-CD 3.33Å; E550-K562 IonicContact OE2-NZ 2.75Å; E550-K562 PolarHBondContact OE2-NZ 3.23Å; I552-K562 HydrophobicContact CD1-CB 4.14Å; I552-K562 HydrophobicContact CD1-CD 4.39Å; I552-K562 HydrophobicContact CD1-CG 3.82Å; I552-K562 HydrophobicContact CG1-CB 4.19Å; I552-K562 HydrophobicContact CG1-CG 4.3Å; Y560-K562 PolarHBondContact O-N 2.61Å; K562-A564 VanDerWaalsContact C-N 3.32Å; K562-A564 PolarHBondContact O-N 3.43Å; K562-V565 PolarHBondContact O-N 3.24Å
563	D	64.7	Low	71.4	Confident	111 Å²	111	59.3 Å²	59.3	59%	0.594	33%	0.331	S	S	*	.	H	α-helix	trans	-72.2	-23.7	-176	-54.8	-21.2	0	0	0	113	P561	P561-D563 PolarHBondContact O-N 3.39Å; P561-D563 VanDerWaalsContact O-N 3.1Å
564	A	63.8	Low	71.4	Confident	34 Å²	34	56 Å²	56	28%	0.281	31%	0.313	S	S	.	.	H	α-helix	trans	-87.5	-27.7	176.2	0	0	0	0	0	112.6	P561 K562 T567	P561-A564 HydrophobicContact CB-CB 4.46Å; P561-A564 PolarHBondContact O-N 3.22Å; K562-A564 VanDerWaalsContact C-N 3.32Å; K562-A564 PolarHBondContact O-N 3.43Å; A564-T567 WeakPolarHBondContact O-CG2 3.42Å; A564-T567 PolarHBondContact O-OG1 2.84Å
565	V	71.5	Confident	71.3	Confident	3 Å²	3	63.8 Å²	63.8	2%	0.018	35%	0.348	C	S	.	.	H	α-helix	trans	-75.8	-45.1	-167.7	169.7	0	0	0	0	113.5	Y560 P561 K562 T567 C573	Y560-V565 HydrophobicContact CG-CG2 4.05Å; P561-V565 WeakPolarHBondContact O-CG2 3.43Å; P561-V565 PolarHBondContact O-N 3.31Å; K562-V565 PolarHBondContact O-N 3.24Å; V565-T567 PolarHBondContact O-N 2.99Å; V565-C573 HydrophobicContact CG1-CB 3.26Å; V565-C573 VanDerWaalsContact CG1-SG 3.52Å
566	C	79.2	Confident	71.6	Confident	8 Å²	8	58.1 Å²	58.1	5%	0.054	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	21.6	-168.9	-59.2	0	0	0	0	113.5	G568 C577 G579 D581 A585	C566-G568 VanDerWaalsContact C-N 3.3Å; C566-C577 WeakPolarHBondContact CA-SG 3.31Å; C566-C577 HydrophobicContact CB-CB 3.89Å; C566-C577 WeakPolarHBondContact CB-SG 3.48Å; C566-C577 WeakPolarHBondContact SG-CB 3.4Å; C566-C577 CovalentContact SG-SG 2.04Å; C566-C577 PolarHBondContact SG-SG 2.65Å; C566-G579 VanDerWaalsContact CB-O 3.3Å; C566-G579 WeakPolarHBondContact CB-O 3.02Å; C566-D581 PolarHBondContact O-N 3.46Å; C566-A585 VanDerWaalsContact O-CB 3.31Å; C566-A585 WeakPolarHBondContact O-CB 3.14Å
567	T	78.4	Confident	72.1	Confident	7 Å²	7	55.7 Å²	55.7	4%	0.043	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-0.8	175.6	57.8	0	0	0	0	113.4	A564 V565 K569 D581 E584	A564-T567 WeakPolarHBondContact O-CG2 3.42Å; A564-T567 PolarHBondContact O-OG1 2.84Å; V565-T567 PolarHBondContact O-N 2.99Å; T567-K569 PolarHBondContact O-N 2.93Å; T567-K569 VanDerWaalsContact O-N 3.17Å; T567-D581 HydrophobicContact CG2-CB 4.49Å; T567-E584 HydrophobicContact CG2-CB 3.98Å; T567-E584 HydrophobicContact CG2-CG 3.97Å; T567-E584 WeakPolarHBondContact CG2-OE2 3.41Å
568	G	76.7	Confident	72.8	Confident	5 Å²	5	58.9 Å²	58.9	5%	0.052	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.9	-29.9	-175.6	0	0	0	0	0	114	C566 V570	C566-G568 VanDerWaalsContact C-N 3.3Å; G568-V570 VanDerWaalsContact C-N 3.31Å; G568-V570 PolarHBondContact O-N 3.05Å
569	K	78.2	Confident	73.6	Confident	110 Å²	110	57 Å²	57	48%	0.478	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-43	179.6	-63.6	166.2	179.9	160.9	0	112.6	T567 H571 E584 E596	T567-K569 PolarHBondContact O-N 2.93Å; T567-K569 VanDerWaalsContact O-N 3.17Å; K569-H571 PolarHBondContact O-N 3.25Å; K569-H571 VanDerWaalsContact O-N 3.07Å; K569-H571 PolarHBondContact O-ND1 2.98Å; K569-E584 IonicContact NZ-OE2 3.23Å; K569-E584 PolarHBondContact NZ-OE2 3.39Å; K569-E596 WeakPolarHBondContact CA-OE1 3.46Å; K569-E596 HydrophobicContact CG-CG 3.83Å
570	V	74.8	Confident	74.7	Confident	32 Å²	32	53.9 Å²	53.9	19%	0.194	30%	0.295	C	S	.	.			trans	-84.9	84.8	-178.4	-164	0	0	0	0	111.3	Y560 G568 S572 C573	Y560-V570 HydrophobicContact CE2-CG1 4.4Å; G568-V570 VanDerWaalsContact C-N 3.31Å; G568-V570 PolarHBondContact O-N 3.05Å; V570-S572 VanDerWaalsContact C-N 3.25Å; V570-S572 PolarHBondContact O-N 3.2Å; V570-S572 VanDerWaalsContact O-N 3.14Å; V570-C573 HydrophobicContact CB-CB 4.3Å; V570-C573 HydrophobicContact CG1-CB 4.21Å; V570-C573 WeakPolarHBondContact CG1-SG 3.39Å; V570-C573 WeakPolarHBondContact O-CB 3.32Å; V570-C573 PolarHBondContact O-N 2.93Å
571	H	75.8	Confident	75.6	Confident	142 Å²	142	52.8 Å²	52.8	66%	0.657	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-54.1	-35.2	-175.3	-74.2	52.8	0	0	0	114	K569 C573 R574	K569-H571 PolarHBondContact O-N 3.25Å; K569-H571 VanDerWaalsContact O-N 3.07Å; K569-H571 PolarHBondContact O-ND1 2.98Å; H571-C573 PolarHBondContact O-N 3.38Å; H571-R574 VanDerWaalsContact O-CB 3.27Å; H571-R574 WeakPolarHBondContact O-CB 3.28Å; H571-R574 PolarHBondContact O-N 2.73Å
572	S	74.9	Confident	76.2	Confident	55 Å²	55	56.4 Å²	56.4	39%	0.385	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-68.1	-12.3	177.9	56.8	0	0	0	0	114.6	H555 V570	H555-S572 WeakPolarHBondContact CB-O 3.33Å; H555-S572 PolarHBondContact N-O 3.43Å; H555-S572 VanDerWaalsContact N-O 3.16Å; V570-S572 VanDerWaalsContact C-N 3.25Å; V570-S572 PolarHBondContact O-N 3.2Å; V570-S572 VanDerWaalsContact O-N 3.14Å
573	C	76.1	Confident	76.7	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-108.6	-2.2	-179.8	-56.4	0	0	0	0	113.4	C554 V565 V570 H571 E575 S576 C577	C554-C573 HydrophobicContact CB-CB 3.91Å; C554-C573 WeakPolarHBondContact CB-SG 3.33Å; C554-C573 WeakPolarHBondContact SG-CB 3.09Å; C554-C573 CovalentContact SG-SG 2.02Å; C554-C573 PolarHBondContact SG-SG 2.67Å; V565-C573 HydrophobicContact CG1-CB 3.26Å; V565-C573 VanDerWaalsContact CG1-SG 3.52Å; V570-C573 HydrophobicContact CB-CB 4.3Å; V570-C573 HydrophobicContact CG1-CB 4.21Å; V570-C573 WeakPolarHBondContact CG1-SG 3.39Å; V570-C573 WeakPolarHBondContact O-CB 3.32Å; V570-C573 PolarHBondContact O-N 2.93Å; H571-C573 PolarHBondContact O-N 3.38Å; C573-E575 PolarHBondContact O-N 2.85Å; C573-S576 PolarHBondContact O-N 3Å; C573-C577 PolarHBondContact O-N 3.34Å
574	R	77.3	Confident	77.3	Confident	58 Å²	58	51.9 Å²	51.9	22%	0.219	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-31.4	-169.3	175.7	159.9	-173.4	-143.6	-13.8	114.6	H571 C588 A593 C594 D606	H571-R574 VanDerWaalsContact O-CB 3.27Å; H571-R574 WeakPolarHBondContact O-CB 3.28Å; H571-R574 PolarHBondContact O-N 2.73Å; R574-C588 PolarHBondContact NH2-SG 3.2Å; R574-C588 VanDerWaalsContact NH2-SG 3.45Å; R574-A593 HydrophobicContact CG-CB 3.73Å; R574-A593 WeakPolarHBondContact O-CA 3.38Å; R574-C594 WeakPolarHBondContact CD-O 3.25Å; R574-C594 VanDerWaalsContact CG-O 3.31Å; R574-C594 WeakPolarHBondContact CG-O 3.4Å; R574-C594 PolarHBondContact NE-O 2.88Å; R574-C594 PolarHBondContact O-N 2.99Å; R574-D606 PolarHBondContact NH1-O 2.03Å; R574-D606 PolarHBondContact NH2-O 3.42Å
575	E	75.2	Confident	78.4	Confident	170 Å²	170	50.8 Å²	50.8	79%	0.794	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.1	-14.2	176	-60.3	-173.7	169.2	0	0	114.2	C573 C577	C573-E575 PolarHBondContact O-N 2.85Å; E575-C577 VanDerWaalsContact C-N 3.29Å; E575-C577 PolarHBondContact O-N 3.4Å
576	S	78.7	Confident	79.3	Confident	50 Å²	50	52.3 Å²	52.3	35%	0.35	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-9.4	178.3	-69.5	0	0	0	0	113.4	E553 C573	E553-S576 PolarHBondContact O-OG 2.63Å; C573-S576 PolarHBondContact O-N 3Å
577	C	79.8	Confident	79.8	Confident	19 Å²	19	58.2 Å²	58.2	13%	0.128	31%	0.314	C	S	.	.			trans	-75.9	126	-175.6	-80.7	0	0	0	0	113.1	C566 C573 E575 G579	C566-C577 WeakPolarHBondContact CA-SG 3.31Å; C566-C577 HydrophobicContact CB-CB 3.89Å; C566-C577 WeakPolarHBondContact CB-SG 3.48Å; C566-C577 WeakPolarHBondContact SG-CB 3.4Å; C566-C577 CovalentContact SG-SG 2.04Å; C566-C577 PolarHBondContact SG-SG 2.65Å; C573-C577 PolarHBondContact O-N 3.34Å; E575-C577 VanDerWaalsContact C-N 3.29Å; E575-C577 PolarHBondContact O-N 3.4Å; C577-G579 PolarHBondContact O-N 2.79Å
578	P	80.5	Confident	80.4	Confident	106 Å²	106	57.9 Å²	57.9	69%	0.688	31%	0.312	S	S	*	.	S	Bend	trans	-69.4	-15.9	174.5	29.6	-35	0	0	0	112.9	I552	I552-P578 HydrophobicContact CD1-CG 4.34Å
579	G	81.8	Confident	81	Confident	33 Å²	33	63 Å²	63	34%	0.34	34%	0.339	S	S	.	.	S	Bend	trans	-175.2	154.7	173.1	0	0	0	0	0	108.6	C566 C577	C566-G579 VanDerWaalsContact CB-O 3.3Å; C566-G579 WeakPolarHBondContact CB-O 3.02Å; C577-G579 PolarHBondContact O-N 2.79Å
580	C	86.1	Confident	81.3	Confident	25 Å²	25	67.8 Å²	67.8	17%	0.169	35%	0.354	C	S	.	.			trans	-80.3	155	178	-50.5	0	0	0	0	110.9	A585 R587 C594	C580-A585 HydrophobicContact CB-CB 3.88Å; C580-R587 HydrophobicContact CB-CB 4.29Å; C580-R587 VanDerWaalsContact SG-CB 3.57Å; C580-C594 WeakPolarHBondContact CA-SG 3.2Å; C580-C594 HydrophobicContact CB-CB 3.79Å; C580-C594 WeakPolarHBondContact CB-SG 3.09Å; C580-C594 WeakPolarHBondContact SG-CA 3.47Å; C580-C594 WeakPolarHBondContact SG-CB 3.19Å; C580-C594 CovalentContact SG-SG 2.04Å; C580-C594 PolarHBondContact SG-SG 3.38Å
581	D	81.7	Confident	81.8	Confident	43 Å²	43	69.5 Å²	69.5	23%	0.23	36%	0.364	C	S	.	.			trans	-62.6	125.7	169.2	-173.4	-82.4	0	0	0	108.9	C566 T567 N583 E584 A585	C566-D581 PolarHBondContact O-N 3.46Å; T567-D581 HydrophobicContact CG2-CB 4.49Å; D581-N583 PolarHBondContact O-N 2.97Å; D581-N583 VanDerWaalsContact O-N 3.15Å; D581-N583 WeakPolarHBondContact OD1-CA 3.09Å; D581-N583 PolarHBondContact OD1-N 3.34Å; D581-N583 PolarHBondContact OD1-ND2 3.4Å; D581-E584 HydrophobicContact CB-CB 4.24Å; D581-E584 HydrophobicContact CB-CG 4.4Å; D581-E584 PolarHBondContact OD1-N 3.36Å; D581-A585 PolarHBondContact O-N 3.18Å; D581-A585 VanDerWaalsContact O-N 3.11Å
582	P	78.5	Confident	82.3	Confident	111 Å²	111	63.5 Å²	63.5	72%	0.721	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-8.1	-172.5	29.6	-36.1	0	0	0	114.1
583	N	76.2	Confident	82.9	Confident	61 Å²	61	61 Å²	61	33%	0.326	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.5	-33.1	-178.9	-34.6	-85.2	0	0	0	112.2	D581 R597 Y647	D581-N583 PolarHBondContact O-N 2.97Å; D581-N583 VanDerWaalsContact O-N 3.15Å; D581-N583 WeakPolarHBondContact OD1-CA 3.09Å; D581-N583 PolarHBondContact OD1-N 3.34Å; D581-N583 PolarHBondContact OD1-ND2 3.4Å; N583-R597 WeakPolarHBondContact O-CD 3.21Å; N583-R597 PolarHBondContact O-NH1 3.11Å; N583-Y647 HydrophobicContact CB-CD2 4.5Å; N583-Y647 HydrophobicContact CB-CE2 3.55Å; N583-Y647 WeakPolarHBondContact CB-OH 3.15Å; N583-Y647 WeakPolarHBondContact O-CD2 3Å; N583-Y647 WeakPolarHBondContact O-CE2 3.46Å
584	E	79	Confident	83.5	Confident	18 Å²	18	61 Å²	61	8%	0.084	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-23	180	-47.6	-134.2	162.8	0	0	113.8	T567 K569 D581 R597 Y647 T681	T567-E584 HydrophobicContact CG2-CB 3.98Å; T567-E584 HydrophobicContact CG2-CG 3.97Å; T567-E584 WeakPolarHBondContact CG2-OE2 3.41Å; K569-E584 IonicContact NZ-OE2 3.23Å; K569-E584 PolarHBondContact NZ-OE2 3.39Å; D581-E584 HydrophobicContact CB-CB 4.24Å; D581-E584 HydrophobicContact CB-CG 4.4Å; D581-E584 PolarHBondContact OD1-N 3.36Å; E584-R597 WeakPolarHBondContact O-CG 3.07Å; E584-R597 PolarHBondContact O-N 2.64Å; E584-Y647 HydrophobicContact CB-CE1 4.17Å; E584-Y647 HydrophobicContact CG-CD1 4.39Å; E584-Y647 HydrophobicContact CG-CE1 3.51Å; E584-T681 PolarHBondContact OE1-OG1 2.94Å
585	A	87.1	Confident	84	Confident	11 Å²	11	58.7 Å²	58.7	9%	0.091	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	144.3	-165.4	0	0	0	0	0	115	C566 C580 D581 C594 I595	C566-A585 VanDerWaalsContact O-CB 3.31Å; C566-A585 WeakPolarHBondContact O-CB 3.14Å; C580-A585 HydrophobicContact CB-CB 3.88Å; D581-A585 PolarHBondContact O-N 3.18Å; D581-A585 VanDerWaalsContact O-N 3.11Å; A585-C594 HydrophobicContact CB-CB 4.34Å; A585-I595 CarbonylContact C-O 3.35Å; A585-I595 WeakPolarHBondContact CA-O 3.47Å; A585-I595 WeakPolarHBondContact CB-O 3.46Å
586	F	89.1	Confident	84.6	Confident	34 Å²	34	52.9 Å²	52.9	15%	0.149	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	140.6	169.6	-179	-98.3	0	0	0	111	C594 I595 I600 S611 D612 L617	F586-C594 WeakPolarHBondContact O-CA 3.2Å; F586-I595 HydrophobicContact CB-CD1 4.3Å; F586-I595 HydrophobicContact CB-CG1 3.76Å; F586-I595 HydrophobicContact CD1-CD1 3.83Å; F586-I595 HydrophobicContact CD1-CG1 4Å; F586-I595 HydrophobicContact CG-CD1 4.49Å; F586-I595 HydrophobicContact CG-CG1 4.38Å; F586-I595 PolarHBondContact N-O 2.04Å; F586-I595 PolarHBondContact O-N 3.22Å; F586-I600 HydrophobicContact CB-CD1 3.79Å; F586-I600 HydrophobicContact CB-CG1 3.84Å; F586-I600 HydrophobicContact CD2-CD1 3.94Å; F586-I600 HydrophobicContact CD2-CG1 4.17Å; F586-I600 HydrophobicContact CG-CD1 4.08Å; F586-I600 HydrophobicContact CG-CG1 3.98Å; F586-S611 WeakPolarHBondContact CZ-O 2.93Å; F586-D612 HydrophobicContact CD1-CB 4.48Å; F586-D612 HydrophobicContact CE1-CB 4.23Å; F586-L617 HydrophobicContact CE2-CD2 3.91Å; F586-L617 HydrophobicContact CZ-CD2 4.16Å
587	R	90.7	Very high	85	Confident	132 Å²	132	51.2 Å²	51.2	50%	0.498	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	110.1	-179.6	-173.9	179.8	176	-77.1	-3.5	110.8	C580	C580-R587 HydrophobicContact CB-CB 4.29Å; C580-R587 VanDerWaalsContact SG-CB 3.57Å
588	C	91.1	Very high	85.3	Confident	0 Å²	0	53 Å²	53	0%	0	28%	0.282	C	S	.	.			trans	-56.8	136.7	174.3	-55.4	0	0	0	0	111.7	R574 T591 G592 A593 C607	R574-C588 PolarHBondContact NH2-SG 3.2Å; R574-C588 VanDerWaalsContact NH2-SG 3.45Å; C588-T591 WeakPolarHBondContact CB-OG1 3.39Å; C588-G592 VanDerWaalsContact O-CA 3.25Å; C588-G592 WeakPolarHBondContact O-CA 3.36Å; C588-G592 PolarHBondContact O-N 3.1Å; C588-A593 HydrophobicContact CB-CB 4.41Å; C588-A593 PolarHBondContact N-O 3.31Å; C588-A593 PolarHBondContact SG-O 3.49Å; C588-A593 VanDerWaalsContact SG-O 3.41Å; C588-C607 WeakPolarHBondContact CA-SG 3.45Å; C588-C607 HydrophobicContact CB-CB 3.62Å; C588-C607 WeakPolarHBondContact CB-SG 3.49Å; C588-C607 WeakPolarHBondContact SG-CA 3.42Å; C588-C607 WeakPolarHBondContact SG-CB 3.37Å; C588-C607 CovalentContact SG-SG 2.04Å; C588-C607 PolarHBondContact SG-SG 2.96Å
589	N	89	Confident	85.7	Confident	114 Å²	114	50.7 Å²	50.7	61%	0.61	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-44.4	-169	-77.2	-56.3	0	0	0	113.1	D609 S611	N589-D609 PolarHBondContact N-OD2 2.82Å; N589-S611 VanDerWaalsContact CB-OG 3.31Å; N589-S611 WeakPolarHBondContact CB-OG 3.27Å; N589-S611 PolarHBondContact N-OG 2.97Å; N589-S611 VanDerWaalsContact ND2-CB 3.33Å; N589-S611 WeakPolarHBondContact ND2-CB 3.22Å; N589-S611 PolarHBondContact ND2-OG 2.89Å
590	R	85	Confident	86	Confident	210 Å²	210	49.2 Å²	49.2	79%	0.792	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-47.9	-172.1	-174.5	-176.3	179.1	-177.6	-1	112.9	D609	R590-D609 WeakPolarHBondContact CA-OD2 3.29Å; R590-D609 HydrophobicContact CB-CB 3.99Å; R590-D609 WeakPolarHBondContact CB-OD2 3.26Å; R590-D609 PolarHBondContact N-OD2 3.04Å
591	T	84.4	Confident	86.1	Confident	68 Å²	68	48.5 Å²	48.5	42%	0.417	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-27.3	-178.5	52.8	0	0	0	0	111.6	C588 A593	C588-T591 WeakPolarHBondContact CB-OG1 3.39Å; T591-A593 PolarHBondContact O-N 3.49Å; T591-A593 WeakPolarHBondContact OG1-CB 3.41Å; T591-A593 PolarHBondContact OG1-N 3.2Å
592	G	85.7	Confident	86.2	Confident	15 Å²	15	48.6 Å²	48.6	16%	0.155	24%	0.241	C	C	.	.			trans	71.9	4.9	-169.7	0	0	0	0	0	113.7	C588	C588-G592 VanDerWaalsContact O-CA 3.25Å; C588-G592 WeakPolarHBondContact O-CA 3.36Å; C588-G592 PolarHBondContact O-N 3.1Å
593	A	87.1	Confident	86.5	Confident	3 Å²	3	45.9 Å²	45.9	3%	0.025	23%	0.234	C	C	.	.			trans	-66.7	147.9	-178.6	0	0	0	0	0	112.1	R574 C588 T591	R574-A593 HydrophobicContact CG-CB 3.73Å; R574-A593 WeakPolarHBondContact O-CA 3.38Å; C588-A593 HydrophobicContact CB-CB 4.41Å; C588-A593 PolarHBondContact N-O 3.31Å; C588-A593 PolarHBondContact SG-O 3.49Å; C588-A593 VanDerWaalsContact SG-O 3.41Å; T591-A593 PolarHBondContact O-N 3.49Å; T591-A593 WeakPolarHBondContact OG1-CB 3.41Å; T591-A593 PolarHBondContact OG1-N 3.2Å
594	C	89.5	Confident	87	Confident	1 Å²	1	48.8 Å²	48.8	1%	0.007	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	129.1	176.9	-51.9	0	0	0	0	111.1	R574 C580 A585 F586	R574-C594 WeakPolarHBondContact CD-O 3.25Å; R574-C594 VanDerWaalsContact CG-O 3.31Å; R574-C594 WeakPolarHBondContact CG-O 3.4Å; R574-C594 PolarHBondContact NE-O 2.88Å; R574-C594 PolarHBondContact O-N 2.99Å; C580-C594 WeakPolarHBondContact CA-SG 3.2Å; C580-C594 HydrophobicContact CB-CB 3.79Å; C580-C594 WeakPolarHBondContact CB-SG 3.09Å; C580-C594 WeakPolarHBondContact SG-CA 3.47Å; C580-C594 WeakPolarHBondContact SG-CB 3.19Å; C580-C594 CovalentContact SG-SG 2.04Å; C580-C594 PolarHBondContact SG-SG 3.38Å; A585-C594 HydrophobicContact CB-CB 4.34Å; F586-C594 WeakPolarHBondContact O-CA 3.2Å
595	I	88.4	Confident	87.5	Confident	8 Å²	8	51.8 Å²	51.8	4%	0.041	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	157.5	168.4	63.2	179.2	0	0	0	110	A585 F586 K599 D606 D612	A585-I595 CarbonylContact C-O 3.35Å; A585-I595 WeakPolarHBondContact CA-O 3.47Å; A585-I595 WeakPolarHBondContact CB-O 3.46Å; F586-I595 HydrophobicContact CB-CD1 4.3Å; F586-I595 HydrophobicContact CB-CG1 3.76Å; F586-I595 HydrophobicContact CD1-CD1 3.83Å; F586-I595 HydrophobicContact CD1-CG1 4Å; F586-I595 HydrophobicContact CG-CD1 4.49Å; F586-I595 HydrophobicContact CG-CG1 4.38Å; F586-I595 PolarHBondContact N-O 2.04Å; F586-I595 PolarHBondContact O-N 3.22Å; I595-K599 HydrophobicContact CD1-CB 4.17Å; I595-D606 HydrophobicContact CD1-CB 4.48Å; I595-D606 HydrophobicContact CG2-CB 4.32Å; I595-D612 HydrophobicContact CD1-CB 3.79Å
596	E	87.8	Confident	87.6	Confident	49 Å²	49	53.5 Å²	53.5	23%	0.229	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	142.7	168.3	-65.6	175.9	-132.8	0	0	110.2	K569 N598 K599	K569-E596 WeakPolarHBondContact CA-OE1 3.46Å; K569-E596 HydrophobicContact CG-CG 3.83Å; E596-N598 WeakPolarHBondContact CB-OD1 3.22Å; E596-N598 PolarHBondContact O-N 3.39Å; E596-N598 PolarHBondContact OE2-ND2 3.44Å; E596-K599 HydrophobicContact CB-CG 4.42Å; E596-K599 PolarHBondContact O-N 2.05Å; E596-K599 VanDerWaalsContact O-N 3.13Å
597	R	87.5	Confident	87.6	Confident	15 Å²	15	51.9 Å²	51.9	6%	0.057	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-64.9	-24.9	-179	-67.9	164	47.8	162.9	-2.6	114.3	N583 E584 K599 I600 D645 D649	N583-R597 WeakPolarHBondContact O-CD 3.21Å; N583-R597 PolarHBondContact O-NH1 3.11Å; E584-R597 WeakPolarHBondContact O-CG 3.07Å; E584-R597 PolarHBondContact O-N 2.64Å; R597-K599 PolarHBondContact O-N 3.41Å; R597-I600 HydrophobicContact CB-CD1 3.84Å; R597-I600 HydrophobicContact CG-CD1 3.98Å; R597-I600 WeakPolarHBondContact O-CB 3.09Å; R597-I600 VanDerWaalsContact O-CG1 3.31Å; R597-I600 WeakPolarHBondContact O-CG1 3.1Å; R597-I600 PolarHBondContact O-N 2.77Å; R597-D645 IonicContact CZ-OD1 3.97Å; R597-D645 IonicContact CZ-OD2 3.73Å; R597-D645 VanDerWaalsContact CZ-OD2 3.23Å; R597-D645 IonicContact NH1-OD1 3.39Å; R597-D645 IonicContact NH1-OD2 3.65Å; R597-D645 PolarHBondContact NH1-OD2 3.4Å; R597-D645 VanDerWaalsContact NH2-CG 3.29Å; R597-D645 IonicContact NH2-OD1 2.76Å; R597-D645 PolarHBondContact NH2-OD1 3.34Å; R597-D645 IonicContact NH2-OD2 3.2Å; R597-D645 PolarHBondContact NH2-OD2 3.06Å; R597-D649 WeakPolarHBondContact CB-OD1 3.46Å; R597-D649 IonicContact CZ-OD1 2.81Å; R597-D649 IonicContact CZ-OD2 3.79Å; R597-D649 IonicContact NE-OD1 3.89Å; R597-D649 PolarHBondContact NE-OD1 2.94Å; R597-D649 IonicContact NE-OD2 2.65Å; R597-D649 IonicContact NH2-OD1 3.32Å; R597-D649 PolarHBondContact NH2-OD1 2.73Å; R597-D649 IonicContact NH2-OD2 3.64Å; R597-D649 PolarHBondContact NH2-OD2 3.14Å
598	N	85.9	Confident	87.4	Confident	55 Å²	55	51.9 Å²	51.9	29%	0.294	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-59.6	-12.6	173.3	62.4	15.7	0	0	0	114	E596 R636 H648	E596-N598 WeakPolarHBondContact CB-OD1 3.22Å; E596-N598 PolarHBondContact O-N 3.39Å; E596-N598 PolarHBondContact OE2-ND2 3.44Å; N598-R636 PolarHBondContact O-NH1 2.82Å; N598-R636 PolarHBondContact O-NH2 3.38Å; N598-H648 WeakPolarHBondContact CB-O 3.35Å
599	K	88.1	Confident	87.3	Confident	59 Å²	59	54.1 Å²	54.1	26%	0.257	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-94.9	-2.3	173.6	-47.3	-46.6	-94.5	72.7	0	114.5	I595 E596 R597 D602 D606	I595-K599 HydrophobicContact CD1-CB 4.17Å; E596-K599 HydrophobicContact CB-CG 4.42Å; E596-K599 PolarHBondContact O-N 2.05Å; E596-K599 VanDerWaalsContact O-N 3.13Å; R597-K599 PolarHBondContact O-N 3.41Å; K599-D602 IonicContact NZ-OD2 2.66Å; K599-D602 PolarHBondContact NZ-OD2 2.76Å; K599-D606 WeakPolarHBondContact CB-OD2 3.47Å; K599-D606 WeakPolarHBondContact CE-OD2 3.48Å; K599-D606 IonicContact NZ-OD1 2.6Å; K599-D606 IonicContact NZ-OD2 3.65Å; K599-D606 PolarHBondContact NZ-OD2 3.38Å
600	I	88.4	Confident	87.2	Confident	2 Å²	2	49.9 Å²	49.9	1%	0.01	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	125.9	175.5	-57.7	165.8	0	0	0	109.6	F586 R597 D602 L617 R636 Y642	F586-I600 HydrophobicContact CB-CD1 3.79Å; F586-I600 HydrophobicContact CB-CG1 3.84Å; F586-I600 HydrophobicContact CD2-CD1 3.94Å; F586-I600 HydrophobicContact CD2-CG1 4.17Å; F586-I600 HydrophobicContact CG-CD1 4.08Å; F586-I600 HydrophobicContact CG-CG1 3.98Å; R597-I600 HydrophobicContact CB-CD1 3.84Å; R597-I600 HydrophobicContact CG-CD1 3.98Å; R597-I600 WeakPolarHBondContact O-CB 3.09Å; R597-I600 VanDerWaalsContact O-CG1 3.31Å; R597-I600 WeakPolarHBondContact O-CG1 3.1Å; R597-I600 PolarHBondContact O-N 2.77Å; I600-D602 PolarHBondContact O-N 2.88Å; I600-L617 HydrophobicContact CG2-CD2 3.56Å; I600-L617 HydrophobicContact CG2-CG 4.04Å; I600-R636 PolarHBondContact O-NE 2.76Å; I600-R636 PolarHBondContact O-NH2 3.25Å; I600-Y642 HydrophobicContact CD1-CE2 3.87Å
601	C	86.9	Confident	87.6	Confident	9 Å²	9	40.4 Å²	40.4	6%	0.061	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	34.4	-179.2	-50.4	0	0	0	0	113.3	D612 E613 C618 R636	C601-D612 PolarHBondContact N-O 2.78Å; C601-E613 WeakPolarHBondContact CA-OE1 3.46Å; C601-E613 PolarHBondContact N-OE1 2.66Å; C601-E613 VanDerWaalsContact N-OE1 3.14Å; C601-C618 VanDerWaalsContact CA-SG 3.51Å; C601-C618 HydrophobicContact CB-CB 3.67Å; C601-C618 WeakPolarHBondContact CB-SG 3.09Å; C601-C618 WeakPolarHBondContact SG-CA 3.23Å; C601-C618 WeakPolarHBondContact SG-CB 3.43Å; C601-C618 CovalentContact SG-SG 2.02Å; C601-C618 PolarHBondContact SG-SG 3.12Å; C601-R636 WeakPolarHBondContact O-CD 3.39Å; C601-R636 VanDerWaalsContact O-CG 3.29Å; C601-R636 WeakPolarHBondContact O-CG 3.45Å; C601-R636 PolarHBondContact O-NE 3.32Å
602	D	85.1	Confident	87.9	Confident	45 Å²	45	37.2 Å²	37.2	24%	0.241	21%	0.213	C	C	.	.	S	Bend	trans	-89.7	-7.8	175.8	91.6	-8.8	0	0	0	113.5	K599 I600 H604 E613	K599-D602 IonicContact NZ-OD2 2.66Å; K599-D602 PolarHBondContact NZ-OD2 2.76Å; I600-D602 PolarHBondContact O-N 2.88Å; D602-H604 VanDerWaalsContact OD1-CB 3.31Å; D602-H604 WeakPolarHBondContact OD1-CB 3.25Å; D602-H604 IonicContact OD1-CD2 4Å; D602-H604 PolarHBondContact OD1-CD2 2.91Å; D602-H604 IonicContact OD1-CG 2.59Å; D602-H604 PolarHBondContact OD1-N 3.4Å; D602-E613 PolarHBondContact N-OE1 3.41Å
603	G	83.8	Confident	88.1	Confident	55 Å²	55	39.1 Å²	39.1	57%	0.567	22%	0.218	S	C	*	.	S	Bend	trans	98.7	2.7	179.3	0	0	0	0	0	114.2	E613	G603-E613 WeakPolarHBondContact CA-OE2 3.15Å; G603-E613 VanDerWaalsContact N-CD 3.33Å; G603-E613 PolarHBondContact N-OE1 3.07Å; G603-E613 PolarHBondContact N-OE2 3.17Å
604	H	87.7	Confident	88.3	Confident	121 Å²	121	42 Å²	42	56%	0.56	23%	0.233	S	C	*	.	S	Bend	trans	-119.4	136.6	179	-57.4	-60.7	0	0	0	112	D602 D606 E613	D602-H604 VanDerWaalsContact OD1-CB 3.31Å; D602-H604 WeakPolarHBondContact OD1-CB 3.25Å; D602-H604 IonicContact OD1-CD2 4Å; D602-H604 PolarHBondContact OD1-CD2 2.91Å; D602-H604 IonicContact OD1-CG 2.59Å; D602-H604 PolarHBondContact OD1-N 3.4Å; H604-D606 VanDerWaalsContact C-N 3.32Å; H604-D606 PolarHBondContact O-N 3.39Å; H604-E613 WeakPolarHBondContact O-CG 3.5Å
605	D	89.2	Confident	88.1	Confident	81 Å²	81	47 Å²	47	43%	0.433	27%	0.266	S	S	.	.			trans	-79.6	79	172.7	176.6	18.5	0	0	0	109.9	C607 L608 D609 G610	D605-C607 VanDerWaalsContact C-N 3.3Å; D605-L608 VanDerWaalsContact OD1-CA 3.25Å; D605-L608 WeakPolarHBondContact OD1-CA 3.25Å; D605-L608 PolarHBondContact OD1-N 3.14Å; D605-D609 PolarHBondContact OD1-N 2.88Å; D605-G610 WeakPolarHBondContact OD1-CA 3.19Å; D605-G610 PolarHBondContact OD1-N 3.49Å
606	D	89.6	Confident	87.9	Confident	48 Å²	48	54.6 Å²	54.6	26%	0.257	30%	0.301	S	S	.	.	S	Bend	trans	-73.6	-24.5	174.6	-80.5	-48.3	0	0	0	112.2	R574 I595 K599 H604 L608 D612	R574-D606 PolarHBondContact NH1-O 2.03Å; R574-D606 PolarHBondContact NH2-O 3.42Å; I595-D606 HydrophobicContact CD1-CB 4.48Å; I595-D606 HydrophobicContact CG2-CB 4.32Å; K599-D606 WeakPolarHBondContact CB-OD2 3.47Å; K599-D606 WeakPolarHBondContact CE-OD2 3.48Å; K599-D606 IonicContact NZ-OD1 2.6Å; K599-D606 IonicContact NZ-OD2 3.65Å; K599-D606 PolarHBondContact NZ-OD2 3.38Å; H604-D606 VanDerWaalsContact C-N 3.32Å; H604-D606 PolarHBondContact O-N 3.39Å; D606-L608 VanDerWaalsContact C-N 3.34Å; D606-D612 WeakPolarHBondContact CA-OD2 3.48Å; D606-D612 WeakPolarHBondContact CB-OD2 3.22Å; D606-D612 PolarHBondContact N-OD2 3.22Å
607	C	89.4	Confident	87.8	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	30%	0.302	C	S	.	.	S	Bend	trans	-75.7	-14.4	177.3	-83.7	0	0	0	0	115.1	C588 D605 D609 D612	C588-C607 WeakPolarHBondContact CA-SG 3.45Å; C588-C607 HydrophobicContact CB-CB 3.62Å; C588-C607 WeakPolarHBondContact CB-SG 3.49Å; C588-C607 WeakPolarHBondContact SG-CA 3.42Å; C588-C607 WeakPolarHBondContact SG-CB 3.37Å; C588-C607 CovalentContact SG-SG 2.04Å; C588-C607 PolarHBondContact SG-SG 2.96Å; D605-C607 VanDerWaalsContact C-N 3.3Å; C607-D609 VanDerWaalsContact CB-OD1 3.27Å; C607-D609 WeakPolarHBondContact CB-OD1 3.49Å; C607-D609 PolarHBondContact O-N 3.21Å; C607-D612 WeakPolarHBondContact CB-OD2 3.41Å; C607-D612 PolarHBondContact N-OD2 2.82Å
608	L	86.2	Confident	87.6	Confident	132 Å²	132	55.2 Å²	55.2	69%	0.691	31%	0.309	S	S	*	.	S	Bend	trans	59.6	17	-171.4	-48.8	176.2	0	0	0	113.7	D605 D606	D605-L608 VanDerWaalsContact OD1-CA 3.25Å; D605-L608 WeakPolarHBondContact OD1-CA 3.25Å; D605-L608 PolarHBondContact OD1-N 3.14Å; D606-L608 VanDerWaalsContact C-N 3.34Å
609	D	88.6	Confident	87.6	Confident	46 Å²	46	54.9 Å²	54.9	25%	0.246	31%	0.311	C	S	.	.	S	Bend	trans	-143	-1	179.2	74.1	11.9	0	0	0	113.7	N589 R590 D605 C607 S611	N589-D609 PolarHBondContact N-OD2 2.82Å; R590-D609 WeakPolarHBondContact CA-OD2 3.29Å; R590-D609 HydrophobicContact CB-CB 3.99Å; R590-D609 WeakPolarHBondContact CB-OD2 3.26Å; R590-D609 PolarHBondContact N-OD2 3.04Å; D605-D609 PolarHBondContact OD1-N 2.88Å; C607-D609 VanDerWaalsContact CB-OD1 3.27Å; C607-D609 WeakPolarHBondContact CB-OD1 3.49Å; C607-D609 PolarHBondContact O-N 3.21Å; D609-S611 VanDerWaalsContact C-N 3.31Å; D609-S611 PolarHBondContact O-N 2.86Å; D609-S611 WeakPolarHBondContact OD1-CB 2.93Å; D609-S611 PolarHBondContact OD1-N 2.89Å; D609-S611 PolarHBondContact OD1-OG 2.77Å; D609-S611 PolarHBondContact OD2-OG 3.15Å
610	G	87.9	Confident	87.3	Confident	26 Å²	26	55.4 Å²	55.4	27%	0.268	32%	0.321	S	S	.	.	S	Bend	trans	69	17.6	179.4	0	0	0	0	0	115.5	D605 D612 E613 D614	D605-G610 WeakPolarHBondContact OD1-CA 3.19Å; D605-G610 PolarHBondContact OD1-N 3.49Å; G610-D612 VanDerWaalsContact C-N 3.32Å; G610-E613 CarbonylContact O-C 3.48Å; G610-E613 PolarHBondContact O-N 3.24Å; G610-D614 PolarHBondContact O-N 3.1Å
611	S	92.3	Very high	87.1	Confident	11 Å²	11	59 Å²	59	8%	0.077	34%	0.34	C	S	.	.	S	Bend	trans	-67.9	-32.2	179.3	-62	0	0	0	0	113.8	F586 N589 D609	F586-S611 WeakPolarHBondContact CZ-O 2.93Å; N589-S611 VanDerWaalsContact CB-OG 3.31Å; N589-S611 WeakPolarHBondContact CB-OG 3.27Å; N589-S611 PolarHBondContact N-OG 2.97Å; N589-S611 VanDerWaalsContact ND2-CB 3.33Å; N589-S611 WeakPolarHBondContact ND2-CB 3.22Å; N589-S611 PolarHBondContact ND2-OG 2.89Å; D609-S611 VanDerWaalsContact C-N 3.31Å; D609-S611 PolarHBondContact O-N 2.86Å; D609-S611 WeakPolarHBondContact OD1-CB 2.93Å; D609-S611 PolarHBondContact OD1-N 2.89Å; D609-S611 PolarHBondContact OD1-OG 2.77Å; D609-S611 PolarHBondContact OD2-OG 3.15Å
612	D	90.5	Very high	86.6	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-30.5	173.7	41.6	2.3	0	0	0	112.7	F586 I595 C601 D606 C607 G610	F586-D612 HydrophobicContact CD1-CB 4.48Å; F586-D612 HydrophobicContact CE1-CB 4.23Å; I595-D612 HydrophobicContact CD1-CB 3.79Å; C601-D612 PolarHBondContact N-O 2.78Å; D606-D612 WeakPolarHBondContact CA-OD2 3.48Å; D606-D612 WeakPolarHBondContact CB-OD2 3.22Å; D606-D612 PolarHBondContact N-OD2 3.22Å; C607-D612 WeakPolarHBondContact CB-OD2 3.41Å; C607-D612 PolarHBondContact N-OD2 2.82Å; G610-D612 VanDerWaalsContact C-N 3.32Å
613	E	90.9	Very high	86.5	Confident	55 Å²	55	69.4 Å²	69.4	26%	0.257	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.7	24.2	179.4	-64	-61.9	136.7	0	0	113.2	C601 D602 G603 H604 G610 P615	C601-E613 WeakPolarHBondContact CA-OE1 3.46Å; C601-E613 PolarHBondContact N-OE1 2.66Å; C601-E613 VanDerWaalsContact N-OE1 3.14Å; D602-E613 PolarHBondContact N-OE1 3.41Å; G603-E613 WeakPolarHBondContact CA-OE2 3.15Å; G603-E613 VanDerWaalsContact N-CD 3.33Å; G603-E613 PolarHBondContact N-OE1 3.07Å; G603-E613 PolarHBondContact N-OE2 3.17Å; H604-E613 WeakPolarHBondContact O-CG 3.5Å; G610-E613 CarbonylContact O-C 3.48Å; G610-E613 PolarHBondContact O-N 3.24Å; E613-P615 WeakPolarHBondContact O-CD 3.24Å
614	D	90.1	Very high	86.5	Confident	63 Å²	63	71 Å²	71	34%	0.337	39%	0.388	S	S	.	.			trans	-62.6	123.4	178.8	-172.4	-38.1	0	0	0	110.6	G610 Q616 L617 C618	G610-D614 PolarHBondContact O-N 3.1Å; D614-Q616 PolarHBondContact O-N 3Å; D614-Q616 WeakPolarHBondContact OD1-CB 3.03Å; D614-Q616 PolarHBondContact OD1-N 3.31Å; D614-L617 HydrophobicContact CB-CB 4.1Å; D614-L617 WeakPolarHBondContact O-CA 3.39Å; D614-L617 WeakPolarHBondContact O-CB 3.38Å; D614-L617 PolarHBondContact O-N 3.39Å; D614-C618 PolarHBondContact O-N 2.71Å; D614-C618 PolarHBondContact O-SG 2.87Å
615	P	85.5	Confident	86.5	Confident	107 Å²	107	65.7 Å²	65.7	70%	0.695	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-19.2	178.5	-27.3	35.7	0	0	0	116	E613	E613-P615 WeakPolarHBondContact O-CD 3.24Å
616	Q	84.8	Confident	86.5	Confident	167 Å²	167	64.1 Å²	64.1	78%	0.78	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-35.2	172.3	-61.2	-170.1	27.9	0	0	112.4	D614	D614-Q616 PolarHBondContact O-N 3Å; D614-Q616 WeakPolarHBondContact OD1-CB 3.03Å; D614-Q616 PolarHBondContact OD1-N 3.31Å
617	L	84.5	Confident	86.4	Confident	47 Å²	47	64.2 Å²	64.2	25%	0.246	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-43.7	176.6	-173.9	61.2	0	0	0	110.5	F586 I600 D614 S619 P639	F586-L617 HydrophobicContact CE2-CD2 3.91Å; F586-L617 HydrophobicContact CZ-CD2 4.16Å; I600-L617 HydrophobicContact CG2-CD2 3.56Å; I600-L617 HydrophobicContact CG2-CG 4.04Å; D614-L617 HydrophobicContact CB-CB 4.1Å; D614-L617 WeakPolarHBondContact O-CA 3.39Å; D614-L617 WeakPolarHBondContact O-CB 3.38Å; D614-L617 PolarHBondContact O-N 3.39Å; L617-S619 VanDerWaalsContact C-N 3.27Å; L617-S619 PolarHBondContact O-N 3.4Å; L617-P639 HydrophobicContact CD1-CG 3.86Å
618	C	85.3	Confident	86.2	Confident	30 Å²	30	64.3 Å²	64.3	20%	0.203	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	22.7	-175.7	-50.5	0	0	0	0	114.5	C601 D614 C620	C601-C618 VanDerWaalsContact CA-SG 3.51Å; C601-C618 HydrophobicContact CB-CB 3.67Å; C601-C618 WeakPolarHBondContact CB-SG 3.09Å; C601-C618 WeakPolarHBondContact SG-CA 3.23Å; C601-C618 WeakPolarHBondContact SG-CB 3.43Å; C601-C618 CovalentContact SG-SG 2.02Å; C601-C618 PolarHBondContact SG-SG 3.12Å; D614-C618 PolarHBondContact O-N 2.71Å; D614-C618 PolarHBondContact O-SG 2.87Å; C618-C620 PolarHBondContact O-N 2.04Å
619	S	84.4	Confident	85.6	Confident	48 Å²	48	63.5 Å²	63.5	34%	0.336	36%	0.359	S	S	.	.			trans	-81.4	108.8	-172.1	-169.2	0	0	0	0	112.9	L617 N621 A625	L617-S619 VanDerWaalsContact C-N 3.27Å; L617-S619 PolarHBondContact O-N 3.4Å; S619-N621 PolarHBondContact O-N 3.35Å; S619-A625 WeakPolarHBondContact O-CB 3.41Å
620	C	83	Confident	84.2	Confident	71 Å²	71	63.1 Å²	63.1	48%	0.48	36%	0.363	S	S	.	.			trans	-65.5	33	178.2	-68.6	0	0	0	0	117	C618 E622 C637	C618-C620 PolarHBondContact O-N 2.04Å; C620-E622 PolarHBondContact O-N 3.47Å; C620-C637 WeakPolarHBondContact CA-SG 3.49Å; C620-C637 HydrophobicContact CB-CB 3.9Å; C620-C637 WeakPolarHBondContact CB-SG 3.46Å; C620-C637 WeakPolarHBondContact SG-CB 3.38Å; C620-C637 CovalentContact SG-SG 2.03Å; C620-C637 PolarHBondContact SG-SG 2.97Å
621	N	84.3	Confident	82.7	Confident	76 Å²	76	67.5 Å²	67.5	41%	0.406	38%	0.384	S	S	.	.			trans	-81.3	116.7	176.7	173	-2.1	0	0	0	110.3	S619 T623 I624 A625	S619-N621 PolarHBondContact O-N 3.35Å; N621-T623 PolarHBondContact ND2-OG1 3.46Å; N621-T623 VanDerWaalsContact ND2-OG1 3.12Å; N621-T623 PolarHBondContact O-N 2.98Å; N621-T623 PolarHBondContact OD1-N 2.86Å; N621-T623 PolarHBondContact OD1-OG1 2.73Å; N621-I624 HydrophobicContact CB-CD1 4.19Å; N621-I624 HydrophobicContact CB-CG1 3.83Å; N621-I624 WeakPolarHBondContact O-CG1 3.28Å; N621-I624 PolarHBondContact O-N 3.47Å; N621-A625 PolarHBondContact O-N 3.02Å
622	E	76.5	Confident	80.9	Confident	175 Å²	175	72.2 Å²	72.2	82%	0.818	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.1	-19.2	-179.8	-66.2	-176.5	179.7	0	0	115.3	C620 K640	C620-E622 PolarHBondContact O-N 3.47Å; E622-K640 WeakPolarHBondContact O-CE 3.47Å; E622-K640 PolarHBondContact O-NZ 2.03Å
623	T	82.1	Confident	79.3	Confident	98 Å²	98	75.5 Å²	75.5	60%	0.601	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-31	175.5	56	0	0	0	0	113.4	N621 K640	N621-T623 PolarHBondContact ND2-OG1 3.46Å; N621-T623 VanDerWaalsContact ND2-OG1 3.12Å; N621-T623 PolarHBondContact O-N 2.98Å; N621-T623 PolarHBondContact OD1-N 2.86Å; N621-T623 PolarHBondContact OD1-OG1 2.73Å; T623-K640 VanDerWaalsContact C-NZ 3.31Å; T623-K640 WeakPolarHBondContact O-CD 3.48Å; T623-K640 WeakPolarHBondContact O-CE 3.41Å; T623-K640 PolarHBondContact O-NZ 2.98Å
624	I	84.1	Confident	77.9	Confident	88 Å²	88	80.7 Å²	80.7	45%	0.451	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123	-17.1	-170.7	56.8	171.1	0	0	0	114.6	N621 K640	N621-I624 HydrophobicContact CB-CD1 4.19Å; N621-I624 HydrophobicContact CB-CG1 3.83Å; N621-I624 WeakPolarHBondContact O-CG1 3.28Å; N621-I624 PolarHBondContact O-N 3.47Å; I624-K640 WeakPolarHBondContact O-CB 3.18Å; I624-K640 WeakPolarHBondContact O-CG 3.21Å; I624-K640 PolarHBondContact O-N 3.4Å
625	A	87.1	Confident	77	Confident	11 Å²	11	81.8 Å²	81.8	9%	0.091	49%	0.491	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	158.7	-178.8	0	0	0	0	0	113.3	S619 N621 C637 I638 K640	S619-A625 WeakPolarHBondContact O-CB 3.41Å; N621-A625 PolarHBondContact O-N 3.02Å; A625-C637 HydrophobicContact CB-CB 4.23Å; A625-I638 CarbonylContact C-O 3.5Å; A625-I638 WeakPolarHBondContact CA-O 2.94Å; A625-I638 WeakPolarHBondContact CB-O 3.34Å; A625-K640 VanDerWaalsContact O-CE 3.32Å; A625-K640 WeakPolarHBondContact O-CE 3Å
626	F	88.5	Confident	76.8	Confident	48 Å²	48	78 Å²	78	21%	0.211	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	138	165.2	177.4	-107.1	0	0	0	108.9	C637 I638 R643 D655	F626-C637 WeakPolarHBondContact O-CA 3.32Å; F626-I638 HydrophobicContact CB-CG1 4.06Å; F626-I638 HydrophobicContact CD1-CD1 4.03Å; F626-I638 HydrophobicContact CD1-CG1 4.11Å; F626-I638 PolarHBondContact N-O 2.92Å; F626-I638 PolarHBondContact O-N 2.8Å; F626-R643 HydrophobicContact CB-CB 4.46Å; F626-R643 HydrophobicContact CD1-CG 4.46Å; F626-R643 HydrophobicContact CD2-CG 4.26Å; F626-R643 HydrophobicContact CE2-CG 4.36Å; F626-R643 HydrophobicContact CG-CB 4.35Å; F626-R643 HydrophobicContact CG-CG 4.3Å; F626-D655 HydrophobicContact CD1-CB 4.29Å; F626-D655 HydrophobicContact CE1-CB 4.04Å
627	A	87.7	Confident	76.9	Confident	50 Å²	50	70.4 Å²	70.4	41%	0.413	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	112.9	-178.6	0	0	0	0	0	110.3	T635	A627-T635 HydrophobicContact CB-CG2 3.71Å
628	C	85.7	Confident	77	Confident	2 Å²	2	68.2 Å²	68.2	1%	0.014	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	134.9	165.2	-52.5	0	0	0	0	108.7	A630 R636 C650	C628-A630 PolarHBondContact O-N 3.1Å; C628-R636 HydrophobicContact CB-CB 4.16Å; C628-R636 HydrophobicContact CB-CG 4.37Å; C628-R636 WeakPolarHBondContact CB-O 2.91Å; C628-R636 PolarHBondContact N-O 2.7Å; C628-C650 VanDerWaalsContact CA-SG 3.59Å; C628-C650 HydrophobicContact CB-CB 3.77Å; C628-C650 WeakPolarHBondContact CB-SG 3.43Å; C628-C650 WeakPolarHBondContact SG-CA 3.11Å; C628-C650 WeakPolarHBondContact SG-CB 3Å; C628-C650 CovalentContact SG-SG 2.04Å; C628-C650 PolarHBondContact SG-SG 3.47Å
629	N	74	Confident	77.1	Confident	114 Å²	114	67.4 Å²	67.4	61%	0.61	41%	0.411	S	S	*	.	P	Polyproline II helix	trans	-67	137.1	177.2	-89.2	-13.8	0	0	0	111.3	M654	N629-M654 HydrophobicContact CB-CE 4.11Å; N629-M654 HydrophobicContact CB-SD 3.81Å
630	A	59.5	Low	77.3	Confident	39 Å²	39	69.4 Å²	69.4	32%	0.322	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-79.5	123.3	-175.8	0	0	0	0	0	112.7	C628 Q634	C628-A630 PolarHBondContact O-N 3.1Å; A630-Q634 WeakPolarHBondContact CB-O 3.17Å
631	T	55.4	Low	77.6	Confident	118 Å²	118	71.4 Å²	71.4	72%	0.724	42%	0.415	S	S	*	.	G	3₁₀ helix	trans	-68.3	137.6	144.6	-8.1	0	0	0	0	107.9	G633	T631-G633 VanDerWaalsContact C-N 3.27Å; T631-G633 PolarHBondContact O-N 3.23Å; T631-G633 VanDerWaalsContact O-N 3.17Å
632	A	55.5	Low	77.9	Confident	110 Å²	110	70 Å²	70	91%	0.909	41%	0.405	S	S	*	.	G	3₁₀ helix	trans	59.4	19.5	179.4	0	0	0	0	0	117.6	Q634	A632-Q634 PolarHBondContact O-N 2.95Å
633	G	55.7	Low	78.6	Confident	68 Å²	68	64.4 Å²	64.4	70%	0.701	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	82.8	8.8	163.2	0	0	0	0	0	117.5	T631	T631-G633 VanDerWaalsContact C-N 3.27Å; T631-G633 PolarHBondContact O-N 3.23Å; T631-G633 VanDerWaalsContact O-N 3.17Å
634	Q	63.4	Low	79.2	Confident	165 Å²	165	59.8 Å²	59.8	77%	0.771	35%	0.348	S	S	*	.			trans	-100.4	107.4	167.2	-70.1	-175.2	-24.9	0	0	111.2	A630 A632 R636	A630-Q634 WeakPolarHBondContact CB-O 3.17Å; A632-Q634 PolarHBondContact O-N 2.95Å; Q634-R636 PolarHBondContact O-N 3.22Å; Q634-R636 VanDerWaalsContact O-N 3.11Å
635	T	70.4	Confident	79.6	Confident	85 Å²	85	56.1 Å²	56.1	52%	0.521	33%	0.329	S	S	.	.			trans	-64.7	110.9	177.3	-51.7	0	0	0	0	110.5	A627	A627-T635 HydrophobicContact CB-CG2 3.71Å
636	R	81.1	Confident	79.7	Confident	29 Å²	29	55.6 Å²	55.6	11%	0.109	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	140.4	168.7	172.1	168.9	178.8	-166.6	-5.4	109.2	N598 I600 C601 C628 Q634 D649	N598-R636 PolarHBondContact O-NH1 2.82Å; N598-R636 PolarHBondContact O-NH2 3.38Å; I600-R636 PolarHBondContact O-NE 2.76Å; I600-R636 PolarHBondContact O-NH2 3.25Å; C601-R636 WeakPolarHBondContact O-CD 3.39Å; C601-R636 VanDerWaalsContact O-CG 3.29Å; C601-R636 WeakPolarHBondContact O-CG 3.45Å; C601-R636 PolarHBondContact O-NE 3.32Å; C628-R636 HydrophobicContact CB-CB 4.16Å; C628-R636 HydrophobicContact CB-CG 4.37Å; C628-R636 WeakPolarHBondContact CB-O 2.91Å; C628-R636 PolarHBondContact N-O 2.7Å; Q634-R636 PolarHBondContact O-N 3.22Å; Q634-R636 VanDerWaalsContact O-N 3.11Å; R636-D649 PolarHBondContact NH2-O 3.13Å; R636-D649 VanDerWaalsContact NH2-O 3.1Å
637	C	85.8	Confident	79.8	Confident	6 Å²	6	54.4 Å²	54.4	4%	0.041	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	132.5	-177.3	-61.3	0	0	0	0	111	C620 A625 F626	C620-C637 WeakPolarHBondContact CA-SG 3.49Å; C620-C637 HydrophobicContact CB-CB 3.9Å; C620-C637 WeakPolarHBondContact CB-SG 3.46Å; C620-C637 WeakPolarHBondContact SG-CB 3.38Å; C620-C637 CovalentContact SG-SG 2.03Å; C620-C637 PolarHBondContact SG-SG 2.97Å; A625-C637 HydrophobicContact CB-CB 4.23Å; F626-C637 WeakPolarHBondContact O-CA 3.32Å
638	I	87.3	Confident	79.8	Confident	1 Å²	1	56 Å²	56	1%	0.005	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	153.6	176.9	62.3	175.2	0	0	0	109.7	A625 F626 Y642 D649 D655	A625-I638 CarbonylContact C-O 3.5Å; A625-I638 WeakPolarHBondContact CA-O 2.94Å; A625-I638 WeakPolarHBondContact CB-O 3.34Å; F626-I638 HydrophobicContact CB-CG1 4.06Å; F626-I638 HydrophobicContact CD1-CD1 4.03Å; F626-I638 HydrophobicContact CD1-CG1 4.11Å; F626-I638 PolarHBondContact N-O 2.92Å; F626-I638 PolarHBondContact O-N 2.8Å; I638-Y642 HydrophobicContact CB-CD2 4.36Å; I638-D649 HydrophobicContact CD1-CB 3.9Å; I638-D649 HydrophobicContact CG2-CB 4.11Å; I638-D655 HydrophobicContact CD1-CB 3.87Å
639	P	87.6	Confident	80	Confident	14 Å²	14	56 Å²	56	9%	0.091	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-51.9	144.8	169.8	-27.6	35.4	0	0	0	112.7	L617 E641 Y642	L617-P639 HydrophobicContact CD1-CG 3.86Å; P639-E641 VanDerWaalsContact CB-CD 3.45Å; P639-E641 HydrophobicContact CB-CG 3.85Å; P639-E641 WeakPolarHBondContact CB-OE2 3Å; P639-E641 PolarHBondContact O-N 3.07Å; P639-Y642 HydrophobicContact CB-CD2 4.28Å; P639-Y642 HydrophobicContact CB-CE2 4.43Å; P639-Y642 HydrophobicContact CB-CG 4.35Å; P639-Y642 HydrophobicContact CG-CD2 4.07Å; P639-Y642 HydrophobicContact CG-CE2 3.91Å; P639-Y642 WeakPolarHBondContact O-CB 3.32Å; P639-Y642 PolarHBondContact O-N 3.34Å
640	K	88.8	Confident	80.6	Confident	89 Å²	89	50.9 Å²	50.9	39%	0.387	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-63.6	-27.3	-176.6	-94.9	-177.3	-176.3	-178	0	114.5	E622 T623 I624 A625 Y642 R643 N664	E622-K640 WeakPolarHBondContact O-CE 3.47Å; E622-K640 PolarHBondContact O-NZ 2.03Å; T623-K640 VanDerWaalsContact C-NZ 3.31Å; T623-K640 WeakPolarHBondContact O-CD 3.48Å; T623-K640 WeakPolarHBondContact O-CE 3.41Å; T623-K640 PolarHBondContact O-NZ 2.98Å; I624-K640 WeakPolarHBondContact O-CB 3.18Å; I624-K640 WeakPolarHBondContact O-CG 3.21Å; I624-K640 PolarHBondContact O-N 3.4Å; A625-K640 VanDerWaalsContact O-CE 3.32Å; A625-K640 WeakPolarHBondContact O-CE 3Å; K640-Y642 PolarHBondContact O-N 3.28Å; K640-R643 PolarHBondContact O-N 3.04Å; K640-N664 PolarHBondContact O-ND2 3.08Å
641	E	89.1	Confident	81.5	Confident	113 Å²	113	54 Å²	54	53%	0.528	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-62.5	-16	172.8	51.8	-96.1	-119.7	0	0	113.2	P639 N664	P639-E641 VanDerWaalsContact CB-CD 3.45Å; P639-E641 HydrophobicContact CB-CG 3.85Å; P639-E641 WeakPolarHBondContact CB-OE2 3Å; P639-E641 PolarHBondContact O-N 3.07Å; E641-N664 VanDerWaalsContact O-CB 3.29Å; E641-N664 WeakPolarHBondContact O-CB 3.49Å; E641-N664 PolarHBondContact O-ND2 3Å
642	Y	89.9	Confident	82.5	Confident	47 Å²	47	49.9 Å²	49.9	18%	0.184	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-95.2	7.8	179.5	-63.2	-4.2	0	0	0	113.4	I600 I638 P639 K640 D649	I600-Y642 HydrophobicContact CD1-CE2 3.87Å; I638-Y642 HydrophobicContact CB-CD2 4.36Å; P639-Y642 HydrophobicContact CB-CD2 4.28Å; P639-Y642 HydrophobicContact CB-CE2 4.43Å; P639-Y642 HydrophobicContact CB-CG 4.35Å; P639-Y642 HydrophobicContact CG-CD2 4.07Å; P639-Y642 HydrophobicContact CG-CE2 3.91Å; P639-Y642 WeakPolarHBondContact O-CB 3.32Å; P639-Y642 PolarHBondContact O-N 3.34Å; K640-Y642 PolarHBondContact O-N 3.28Å; Y642-D649 WeakPolarHBondContact CB-OD2 3.15Å
643	R	92.3	Very high	83.8	Confident	58 Å²	58	46 Å²	46	22%	0.219	25%	0.249	C	C	.	.	S	Bend	trans	-94	131.8	172.6	-170.7	-170.5	-178.3	-105.7	-16.1	111.1	F626 K640 D645 D655 T657 D658 F663 N664	F626-R643 HydrophobicContact CB-CB 4.46Å; F626-R643 HydrophobicContact CD1-CG 4.46Å; F626-R643 HydrophobicContact CD2-CG 4.26Å; F626-R643 HydrophobicContact CE2-CG 4.36Å; F626-R643 HydrophobicContact CG-CB 4.35Å; F626-R643 HydrophobicContact CG-CG 4.3Å; K640-R643 PolarHBondContact O-N 3.04Å; R643-D645 VanDerWaalsContact C-N 3.27Å; R643-D645 PolarHBondContact O-N 2.77Å; R643-D655 VanDerWaalsContact CG-O 3.29Å; R643-D655 WeakPolarHBondContact CG-O 3.48Å; R643-T657 PolarHBondContact NH2-O 2.64Å; R643-D658 PolarHBondContact NH2-O 2.73Å; R643-F663 HydrophobicContact CG-CZ 4.47Å; R643-N664 PolarHBondContact O-ND2 2.96Å
644	C	94.3	Very high	85.3	Confident	0 Å²	0	46 Å²	46	0%	0	23%	0.231	C	C	.	.	S	Bend	trans	53.2	46.6	-179.7	-57.9	0	0	0	0	111.7	D655 E656 C659 C662 F663	C644-D655 PolarHBondContact N-O 2.02Å; C644-E656 WeakPolarHBondContact CA-OE1 3.45Å; C644-E656 WeakPolarHBondContact CA-OE2 3.02Å; C644-E656 PolarHBondContact N-OE1 2.77Å; C644-C659 HydrophobicContact CB-CB 3.78Å; C644-C659 WeakPolarHBondContact CB-SG 3.46Å; C644-C659 VanDerWaalsContact SG-CA 3.56Å; C644-C659 WeakPolarHBondContact SG-CB 3.38Å; C644-C659 CovalentContact SG-SG 2.03Å; C644-C659 PolarHBondContact SG-SG 2.8Å; C644-C662 CarbonylContact O-C 3.58Å; C644-C662 VanDerWaalsContact O-C 3.24Å; C644-C662 WeakPolarHBondContact O-CA 3.48Å; C644-F663 HydrophobicContact CB-CD1 3.97Å; C644-F663 HydrophobicContact CB-CE1 3.46Å; C644-F663 VanDerWaalsContact CB-CE1 3.46Å; C644-F663 HydrophobicContact CB-CZ 3.8Å; C644-F663 PolarHBondContact O-N 3.31Å; C644-F663 VanDerWaalsContact SG-CE1 3.56Å
645	D	91.9	Very high	86.6	Confident	11 Å²	11	38.1 Å²	38.1	6%	0.059	20%	0.195	C	C	.	.	S	Bend	trans	-114.2	3.1	-177.8	99.8	-34.1	0	0	0	113.4	R597 R643 Y647 E656 N664 N665	R597-D645 IonicContact CZ-OD1 3.97Å; R597-D645 IonicContact CZ-OD2 3.73Å; R597-D645 VanDerWaalsContact CZ-OD2 3.23Å; R597-D645 IonicContact NH1-OD1 3.39Å; R597-D645 IonicContact NH1-OD2 3.65Å; R597-D645 PolarHBondContact NH1-OD2 3.4Å; R597-D645 VanDerWaalsContact NH2-CG 3.29Å; R597-D645 IonicContact NH2-OD1 2.76Å; R597-D645 PolarHBondContact NH2-OD1 3.34Å; R597-D645 IonicContact NH2-OD2 3.2Å; R597-D645 PolarHBondContact NH2-OD2 3.06Å; R643-D645 VanDerWaalsContact C-N 3.27Å; R643-D645 PolarHBondContact O-N 2.77Å; D645-Y647 WeakPolarHBondContact O-CD2 3.39Å; D645-Y647 WeakPolarHBondContact OD1-CB 3.43Å; D645-Y647 WeakPolarHBondContact OD1-CD2 3.41Å; D645-Y647 PolarHBondContact OD1-N 2.9Å; D645-E656 PolarHBondContact N-OE1 3.46Å; D645-E656 VanDerWaalsContact N-OE1 3.09Å; D645-E656 PolarHBondContact N-OE2 3.19Å; D645-E656 VanDerWaalsContact N-OE2 3.12Å; D645-N664 HydrophobicContact CB-CB 3.85Å; D645-N665 HydrophobicContact CB-CB 3.92Å; D645-N665 WeakPolarHBondContact O-CB 3.16Å; D645-N665 PolarHBondContact O-ND2 2.79Å
646	G	90.2	Very high	87.7	Confident	1 Å²	1	34.2 Å²	34.2	1%	0.01	17%	0.17	C	C	.	.	S	Bend	trans	89.9	-3.1	-178.4	0	0	0	0	0	114.7	E656 F678 P679	G646-E656 WeakPolarHBondContact CA-OE2 3.26Å; G646-E656 PolarHBondContact N-OE2 2.96Å; G646-F678 WeakPolarHBondContact CA-O 3.09Å; G646-F678 CarbonylContact O-C 3.55Å; G646-F678 VanDerWaalsContact O-C 3.31Å; G646-P679 WeakPolarHBondContact O-CA 3.07Å; G646-P679 WeakPolarHBondContact O-CD 3.04Å
647	Y	89.6	Confident	88.2	Confident	22 Å²	22	35.6 Å²	35.6	9%	0.086	18%	0.182	C	C	.	.	S	Bend	trans	-115.5	145.7	-176	-62.2	-76.8	0	0	0	112.2	N583 E584 D645 D649 E656 P679	N583-Y647 HydrophobicContact CB-CD2 4.5Å; N583-Y647 HydrophobicContact CB-CE2 3.55Å; N583-Y647 WeakPolarHBondContact CB-OH 3.15Å; N583-Y647 WeakPolarHBondContact O-CD2 3Å; N583-Y647 WeakPolarHBondContact O-CE2 3.46Å; E584-Y647 HydrophobicContact CB-CE1 4.17Å; E584-Y647 HydrophobicContact CG-CD1 4.39Å; E584-Y647 HydrophobicContact CG-CE1 3.51Å; D645-Y647 WeakPolarHBondContact O-CD2 3.39Å; D645-Y647 WeakPolarHBondContact OD1-CB 3.43Å; D645-Y647 WeakPolarHBondContact OD1-CD2 3.41Å; D645-Y647 PolarHBondContact OD1-N 2.9Å; Y647-D649 PolarHBondContact O-N 2.98Å; Y647-E656 WeakPolarHBondContact O-CG 2.94Å; Y647-P679 HydrophobicContact CD1-CB 4.1Å; Y647-P679 HydrophobicContact CE1-CB 3.52Å
648	H	89	Confident	88.4	Confident	85 Å²	85	40 Å²	40	39%	0.394	21%	0.206	S	C	.	.			trans	-91.6	86	-178.9	-59.7	-29.3	0	0	0	110.1	N598 S653	N598-H648 WeakPolarHBondContact CB-O 3.35Å; H648-S653 WeakPolarHBondContact ND1-CB 3.37Å; H648-S653 PolarHBondContact ND1-OG 3.37Å
649	D	88.7	Confident	88.6	Confident	2 Å²	2	40 Å²	40	1%	0.011	21%	0.205	C	C	.	.			trans	-89.5	-34.2	177.8	-55.3	-71.8	0	0	0	111.9	R597 R636 I638 Y642 Y647 D655	R597-D649 WeakPolarHBondContact CB-OD1 3.46Å; R597-D649 IonicContact CZ-OD1 2.81Å; R597-D649 IonicContact CZ-OD2 3.79Å; R597-D649 IonicContact NE-OD1 3.89Å; R597-D649 PolarHBondContact NE-OD1 2.94Å; R597-D649 IonicContact NE-OD2 2.65Å; R597-D649 IonicContact NH2-OD1 3.32Å; R597-D649 PolarHBondContact NH2-OD1 2.73Å; R597-D649 IonicContact NH2-OD2 3.64Å; R597-D649 PolarHBondContact NH2-OD2 3.14Å; R636-D649 PolarHBondContact NH2-O 3.13Å; R636-D649 VanDerWaalsContact NH2-O 3.1Å; I638-D649 HydrophobicContact CD1-CB 3.9Å; I638-D649 HydrophobicContact CG2-CB 4.11Å; Y642-D649 WeakPolarHBondContact CB-OD2 3.15Å; Y647-D649 PolarHBondContact O-N 2.98Å; D649-D655 VanDerWaalsContact CA-OD2 3.32Å; D649-D655 WeakPolarHBondContact CA-OD2 3.46Å; D649-D655 WeakPolarHBondContact CB-OD2 3.25Å; D649-D655 PolarHBondContact N-OD2 2.89Å
650	C	87.4	Confident	88.8	Confident	6 Å²	6	45.1 Å²	45.1	4%	0.041	23%	0.232	C	C	.	.	S	Bend	trans	-79.5	139.8	174	-73.5	0	0	0	0	112.5	C628 G652 S653 M654 D655	C628-C650 VanDerWaalsContact CA-SG 3.59Å; C628-C650 HydrophobicContact CB-CB 3.77Å; C628-C650 WeakPolarHBondContact CB-SG 3.43Å; C628-C650 WeakPolarHBondContact SG-CA 3.11Å; C628-C650 WeakPolarHBondContact SG-CB 3Å; C628-C650 CovalentContact SG-SG 2.04Å; C628-C650 PolarHBondContact SG-SG 3.47Å; C650-G652 PolarHBondContact O-N 3.19Å; C650-S653 PolarHBondContact O-N 3.23Å; C650-M654 HydrophobicContact CB-CB 4.49Å; C650-D655 HydrophobicContact CB-CB 4.26Å; C650-D655 PolarHBondContact N-OD2 3.24Å
651	L	78.9	Confident	89	Confident	104 Å²	104	43.5 Å²	43.5	55%	0.545	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	99.3	163.5	-69.7	174.9	0	0	0	110
652	G	75.1	Confident	89.1	Confident	31 Å²	31	38.8 Å²	38.8	32%	0.32	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	121.7	-4.2	-176.2	0	0	0	0	0	114.7	C650 M654	C650-G652 PolarHBondContact O-N 3.19Å; G652-M654 PolarHBondContact O-N 2.96Å
653	S	82.3	Confident	89.2	Confident	29 Å²	29	41.6 Å²	41.6	20%	0.203	23%	0.225	C	C	.	.	S	Bend	trans	57.6	25.7	-175.3	-49.6	0	0	0	0	113.3	H648 C650 D655 E656 T657	H648-S653 WeakPolarHBondContact ND1-CB 3.37Å; H648-S653 PolarHBondContact ND1-OG 3.37Å; C650-S653 PolarHBondContact O-N 3.23Å; S653-D655 VanDerWaalsContact C-N 3.35Å; S653-D655 WeakPolarHBondContact CA-OD1 3.32Å; S653-E656 CarbonylContact O-C 3.55Å; S653-E656 PolarHBondContact O-N 2.03Å; S653-E656 VanDerWaalsContact O-N 3.08Å; S653-T657 WeakPolarHBondContact O-CG2 3.1Å; S653-T657 PolarHBondContact O-N 3.25Å
654	M	87.9	Confident	89.1	Confident	68 Å²	68	41.9 Å²	41.9	34%	0.335	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-69.2	-31.9	-174.9	-70.9	-171.1	60.8	0	0	113.8	N629 C650 G652 E656 T657	N629-M654 HydrophobicContact CB-CE 4.11Å; N629-M654 HydrophobicContact CB-SD 3.81Å; C650-M654 HydrophobicContact CB-CB 4.49Å; G652-M654 PolarHBondContact O-N 2.96Å; M654-E656 PolarHBondContact O-N 2.78Å; M654-T657 WeakPolarHBondContact CA-OG1 3.22Å; M654-T657 PolarHBondContact O-N 2.66Å; M654-T657 PolarHBondContact O-OG1 2.89Å
655	D	90.9	Very high	88.9	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-50.6	-40	165.1	43.4	-6.7	0	0	0	112.8	F626 I638 R643 C644 D649 C650 S653	F626-D655 HydrophobicContact CD1-CB 4.29Å; F626-D655 HydrophobicContact CE1-CB 4.04Å; I638-D655 HydrophobicContact CD1-CB 3.87Å; R643-D655 VanDerWaalsContact CG-O 3.29Å; R643-D655 WeakPolarHBondContact CG-O 3.48Å; C644-D655 PolarHBondContact N-O 2.02Å; D649-D655 VanDerWaalsContact CA-OD2 3.32Å; D649-D655 WeakPolarHBondContact CA-OD2 3.46Å; D649-D655 WeakPolarHBondContact CB-OD2 3.25Å; D649-D655 PolarHBondContact N-OD2 2.89Å; C650-D655 HydrophobicContact CB-CB 4.26Å; C650-D655 PolarHBondContact N-OD2 3.24Å; S653-D655 VanDerWaalsContact C-N 3.35Å; S653-D655 WeakPolarHBondContact CA-OD1 3.32Å
656	E	93.5	Very high	88.6	Confident	2 Å²	2	47.3 Å²	47.3	1%	0.009	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-94.1	13	-178.3	-58.2	-51.1	104.4	0	0	114	C644 D645 G646 Y647 S653 M654 T676 C677	C644-E656 WeakPolarHBondContact CA-OE1 3.45Å; C644-E656 WeakPolarHBondContact CA-OE2 3.02Å; C644-E656 PolarHBondContact N-OE1 2.77Å; D645-E656 PolarHBondContact N-OE1 3.46Å; D645-E656 VanDerWaalsContact N-OE1 3.09Å; D645-E656 PolarHBondContact N-OE2 3.19Å; D645-E656 VanDerWaalsContact N-OE2 3.12Å; G646-E656 WeakPolarHBondContact CA-OE2 3.26Å; G646-E656 PolarHBondContact N-OE2 2.96Å; Y647-E656 WeakPolarHBondContact O-CG 2.94Å; S653-E656 CarbonylContact O-C 3.55Å; S653-E656 PolarHBondContact O-N 2.03Å; S653-E656 VanDerWaalsContact O-N 3.08Å; M654-E656 PolarHBondContact O-N 2.78Å; E656-T676 WeakPolarHBondContact O-CA 3.4Å; E656-T676 WeakPolarHBondContact O-CB 3.34Å; E656-C677 PolarHBondContact O-N 2.94Å; E656-C677 WeakPolarHBondContact OE2-CB 3.5Å
657	T	91.1	Very high	88.2	Confident	59 Å²	59	52.5 Å²	52.5	36%	0.362	29%	0.289	S	S	.	.	S	Bend	trans	-113.3	153.8	174.7	62.3	0	0	0	0	112.4	R643 S653 M654 T676	R643-T657 PolarHBondContact NH2-O 2.64Å; S653-T657 WeakPolarHBondContact O-CG2 3.1Å; S653-T657 PolarHBondContact O-N 3.25Å; M654-T657 WeakPolarHBondContact CA-OG1 3.22Å; M654-T657 PolarHBondContact O-N 2.66Å; M654-T657 PolarHBondContact O-OG1 2.89Å; T657-T676 HydrophobicContact CG2-CG2 4.09Å
658	D	90.3	Very high	88.1	Confident	99 Å²	99	52.2 Å²	52.2	53%	0.529	29%	0.292	S	S	.	.	S	Bend	trans	53	52.2	-173.9	-165.3	34.8	0	0	0	112.8	R643 R675	R643-D658 PolarHBondContact NH2-O 2.73Å; D658-R675 PolarHBondContact N-O 3.48Å; D658-R675 IonicContact OD1-CZ 3.62Å; D658-R675 VanDerWaalsContact OD1-CZ 3.23Å; D658-R675 IonicContact OD1-NE 2.93Å; D658-R675 PolarHBondContact OD1-NE 2.83Å; D658-R675 IonicContact OD1-NH2 2.84Å; D658-R675 PolarHBondContact OD1-NH2 2.02Å
659	C	92.1	Very high	88	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	28%	0.28	C	S	.	.			trans	-98.5	130.5	174.3	-57.5	0	0	0	0	109.5	C644 S661 Y670 R675	C644-C659 HydrophobicContact CB-CB 3.78Å; C644-C659 WeakPolarHBondContact CB-SG 3.46Å; C644-C659 VanDerWaalsContact SG-CA 3.56Å; C644-C659 WeakPolarHBondContact SG-CB 3.38Å; C644-C659 CovalentContact SG-SG 2.03Å; C644-C659 PolarHBondContact SG-SG 2.8Å; C659-S661 VanDerWaalsContact C-N 3.28Å; C659-Y670 HydrophobicContact CB-CE2 4.34Å; C659-Y670 VanDerWaalsContact O-CE2 3.25Å; C659-Y670 WeakPolarHBondContact O-CE2 2.96Å; C659-Y670 PolarHBondContact O-OH 2.89Å; C659-R675 PolarHBondContact N-O 3.17Å
660	D	91.8	Very high	88.2	Confident	121 Å²	121	52.2 Å²	52.2	65%	0.647	29%	0.29	S	S	*	.	S	Bend	trans	-77.1	-20.9	168.5	-70.3	-38.9	0	0	0	112.2	R675	D660-R675 IonicContact OD1-CZ 3.48Å; D660-R675 IonicContact OD1-NH1 2.65Å; D660-R675 PolarHBondContact OD1-NH1 3.1Å; D660-R675 IonicContact OD1-NH2 3.51Å; D660-R675 PolarHBondContact OD1-NH2 2.91Å
661	S	91.7	Very high	88.4	Confident	56 Å²	56	51.9 Å²	51.9	39%	0.392	29%	0.288	S	S	.	.	S	Bend	trans	-171.4	169.3	172.3	56.6	0	0	0	0	108.1	C659 F663	C659-S661 VanDerWaalsContact C-N 3.28Å; S661-F663 VanDerWaalsContact O-CD1 3.26Å; S661-F663 WeakPolarHBondContact O-CD1 3.41Å; S661-F663 PolarHBondContact O-N 3.41Å
662	C	92.4	Very high	88.8	Confident	14 Å²	14	52.2 Å²	52.2	10%	0.095	29%	0.29	C	S	.	.			trans	-79.2	66.7	171.8	-45	0	0	0	0	110.6	C644 N664 N665 A668 F669 C677	C644-C662 CarbonylContact O-C 3.58Å; C644-C662 VanDerWaalsContact O-C 3.24Å; C644-C662 WeakPolarHBondContact O-CA 3.48Å; C662-N664 PolarHBondContact O-N 2.89Å; C662-N665 CarbonylContact O-C 3.55Å; C662-N665 VanDerWaalsContact O-C 3.24Å; C662-N665 PolarHBondContact O-N 3.04Å; C662-N665 VanDerWaalsContact O-N 3.13Å; C662-N665 VanDerWaalsContact O-O 3.08Å; C662-A668 HydrophobicContact CB-CB 3.72Å; C662-F669 PolarHBondContact SG-O 2.72Å; C662-C677 WeakPolarHBondContact CA-SG 3.02Å; C662-C677 HydrophobicContact CB-CB 4.07Å; C662-C677 WeakPolarHBondContact CB-SG 2.93Å; C662-C677 PolarHBondContact N-SG 3.36Å; C662-C677 VanDerWaalsContact N-SG 3.42Å; C662-C677 WeakPolarHBondContact SG-CB 3.05Å; C662-C677 CovalentContact SG-SG 2.04Å; C662-C677 PolarHBondContact SG-SG 3.05Å
663	F	92.1	Very high	89.3	Confident	105 Å²	105	53.1 Å²	53.1	46%	0.461	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-23.3	-167.1	55.8	-99.2	0	0	0	113.7	R643 C644 S661	R643-F663 HydrophobicContact CG-CZ 4.47Å; C644-F663 HydrophobicContact CB-CD1 3.97Å; C644-F663 HydrophobicContact CB-CE1 3.46Å; C644-F663 VanDerWaalsContact CB-CE1 3.46Å; C644-F663 HydrophobicContact CB-CZ 3.8Å; C644-F663 PolarHBondContact O-N 3.31Å; C644-F663 VanDerWaalsContact SG-CE1 3.56Å; S661-F663 VanDerWaalsContact O-CD1 3.26Å; S661-F663 WeakPolarHBondContact O-CD1 3.41Å; S661-F663 PolarHBondContact O-N 3.41Å
664	N	90.7	Very high	89.6	Confident	64 Å²	64	54.5 Å²	54.5	34%	0.342	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-22.4	175.7	-81.7	-27.1	0	0	0	113.3	K640 E641 R643 D645 C662	K640-N664 PolarHBondContact O-ND2 3.08Å; E641-N664 VanDerWaalsContact O-CB 3.29Å; E641-N664 WeakPolarHBondContact O-CB 3.49Å; E641-N664 PolarHBondContact O-ND2 3Å; R643-N664 PolarHBondContact O-ND2 2.96Å; D645-N664 HydrophobicContact CB-CB 3.85Å; C662-N664 PolarHBondContact O-N 2.89Å
665	N	88.2	Confident	89.8	Confident	11 Å²	11	55.5 Å²	55.5	6%	0.059	29%	0.294	C	S	.	.			trans	-134	100.1	176.7	-174.4	-0	0	0	0	112.5	D645 C662 H667 A668	D645-N665 HydrophobicContact CB-CB 3.92Å; D645-N665 WeakPolarHBondContact O-CB 3.16Å; D645-N665 PolarHBondContact O-ND2 2.79Å; C662-N665 CarbonylContact O-C 3.55Å; C662-N665 VanDerWaalsContact O-C 3.24Å; C662-N665 PolarHBondContact O-N 3.04Å; C662-N665 VanDerWaalsContact O-N 3.13Å; C662-N665 VanDerWaalsContact O-O 3.08Å; N665-H667 PolarHBondContact O-N 3.12Å; N665-H667 WeakPolarHBondContact OD1-CA 3.37Å; N665-H667 WeakPolarHBondContact OD1-CB 3.34Å; N665-H667 PolarHBondContact OD1-N 3.01Å; N665-A668 HydrophobicContact CB-CB 4.01Å; N665-A668 WeakPolarHBondContact O-CB 3.22Å; N665-A668 PolarHBondContact O-N 3.16Å; N665-A668 VanDerWaalsContact O-N 3.14Å; N665-A668 PolarHBondContact OD1-N 3.04Å
666	P	86.3	Confident	89.9	Confident	114 Å²	114	56.7 Å²	56.7	74%	0.74	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	0.6	178.1	32.4	-37.4	0	0	0	114
667	H	82.3	Confident	89.9	Confident	110 Å²	110	56.6 Å²	56.6	51%	0.509	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-17.3	172.9	-61.2	-46.7	0	0	0	113.7	N665 R680	N665-H667 PolarHBondContact O-N 3.12Å; N665-H667 WeakPolarHBondContact OD1-CA 3.37Å; N665-H667 WeakPolarHBondContact OD1-CB 3.34Å; N665-H667 PolarHBondContact OD1-N 3.01Å; H667-R680 WeakPolarHBondContact O-CA 3.24Å; H667-R680 VanDerWaalsContact O-CB 3.23Å; H667-R680 WeakPolarHBondContact O-CB 3.42Å; H667-R680 WeakPolarHBondContact O-CG 3.47Å
668	A	86.9	Confident	89.8	Confident	17 Å²	17	55.2 Å²	55.2	14%	0.14	29%	0.29	C	S	.	.	S	Bend	trans	-62.6	158.4	172.6	0	0	0	0	0	111.6	C662 N665 F678	C662-A668 HydrophobicContact CB-CB 3.72Å; N665-A668 HydrophobicContact CB-CB 4.01Å; N665-A668 WeakPolarHBondContact O-CB 3.22Å; N665-A668 PolarHBondContact O-N 3.16Å; N665-A668 VanDerWaalsContact O-N 3.14Å; N665-A668 PolarHBondContact OD1-N 3.04Å; A668-F678 CarbonylContact C-O 3.24Å; A668-F678 WeakPolarHBondContact CA-O 3.36Å; A668-F678 VanDerWaalsContact CB-O 3.3Å; A668-F678 WeakPolarHBondContact CB-O 3.05Å
669	F	88.4	Confident	89.5	Confident	32 Å²	32	51.7 Å²	51.7	14%	0.14	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	131.7	174	-171.9	-109.9	0	0	0	110.4	C662 C677 F678 R683 C690 S694 D695	C662-F669 PolarHBondContact SG-O 2.72Å; F669-C677 WeakPolarHBondContact O-CA 3.26Å; F669-F678 HydrophobicContact CB-CB 4.4Å; F669-F678 PolarHBondContact N-O 3.07Å; F669-F678 PolarHBondContact O-N 2.75Å; F669-R683 HydrophobicContact CB-CB 4.34Å; F669-R683 HydrophobicContact CD2-CB 4.11Å; F669-R683 HydrophobicContact CD2-CG 4.12Å; F669-R683 HydrophobicContact CE2-CG 4.36Å; F669-R683 HydrophobicContact CG-CB 4.22Å; F669-C690 VanDerWaalsContact CE1-SG 3.59Å; F669-S694 VanDerWaalsContact CZ-C 3.41Å; F669-S694 VanDerWaalsContact CZ-O 3.29Å; F669-S694 WeakPolarHBondContact CZ-O 3.39Å; F669-D695 HydrophobicContact CD1-CB 4.02Å; F669-D695 VanDerWaalsContact CE1-CA 3.45Å; F669-D695 HydrophobicContact CE1-CB 3.67Å; F669-D695 HydrophobicContact CZ-CB 4.3Å
670	Y	92	Very high	88.9	Confident	54 Å²	54	54.6 Å²	54.6	21%	0.212	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	115.6	-178.7	174.9	-112.9	0	0	0	110.8	C659 N672 T676	C659-Y670 HydrophobicContact CB-CE2 4.34Å; C659-Y670 VanDerWaalsContact O-CE2 3.25Å; C659-Y670 WeakPolarHBondContact O-CE2 2.96Å; C659-Y670 PolarHBondContact O-OH 2.89Å; Y670-N672 HydrophobicContact CD1-CB 4.31Å; Y670-N672 HydrophobicContact CE1-CB 3.86Å; Y670-N672 PolarHBondContact O-N 3.05Å; Y670-T676 WeakPolarHBondContact CD2-O 3.49Å
671	C	91.4	Very high	88.1	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	96.9	178	-153.9	0	0	0	0	110.8	M673 T674 R675 T676 F678 C690	C671-M673 PolarHBondContact O-N 3.42Å; C671-T674 VanDerWaalsContact CB-OG1 3.28Å; C671-T674 WeakPolarHBondContact CB-OG1 3.26Å; C671-T674 PolarHBondContact O-N 2.98Å; C671-T674 PolarHBondContact O-OG1 2.88Å; C671-T674 PolarHBondContact SG-OG1 2.76Å; C671-R675 WeakPolarHBondContact O-CA 3.44Å; C671-R675 PolarHBondContact O-N 3.37Å; C671-T676 WeakPolarHBondContact CB-O 3.49Å; C671-T676 WeakPolarHBondContact CB-OG1 3.47Å; C671-T676 PolarHBondContact N-O 3.12Å; C671-T676 PolarHBondContact O-N 2.96Å; C671-F678 HydrophobicContact CB-CD2 3.95Å; C671-F678 HydrophobicContact CB-CE2 3.71Å; C671-C690 VanDerWaalsContact CA-SG 3.5Å; C671-C690 HydrophobicContact CB-CB 4.48Å; C671-C690 WeakPolarHBondContact CB-SG 2.95Å; C671-C690 WeakPolarHBondContact SG-CA 3.43Å; C671-C690 WeakPolarHBondContact SG-CB 3.02Å; C671-C690 CovalentContact SG-SG 2.03Å; C671-C690 PolarHBondContact SG-SG 2.03Å
672	N	88.1	Confident	87.6	Confident	111 Å²	111	48.9 Å²	48.9	59%	0.594	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-20.3	-175.2	-170.8	46.4	0	0	0	113.7	Y670	Y670-N672 HydrophobicContact CD1-CB 4.31Å; Y670-N672 HydrophobicContact CE1-CB 3.86Å; Y670-N672 PolarHBondContact O-N 3.05Å
673	M	85.2	Confident	87.1	Confident	49 Å²	49	50.7 Å²	50.7	24%	0.241	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-43.8	175.7	-175.1	60.1	70.4	0	0	111.9	R216 C671 P691 D692	R216-M673 PolarHBondContact NH1-SD 2.82Å; R216-M673 PolarHBondContact NH2-O 3.02Å; R216-M673 PolarHBondContact NH2-SD 3.3Å; C671-M673 PolarHBondContact O-N 3.42Å; M673-P691 HydrophobicContact CG-CB 4.47Å; M673-D692 HydrophobicContact CB-CB 4.13Å; M673-D692 HydrophobicContact CE-CB 3.61Å; M673-D692 HydrophobicContact CG-CB 4.34Å
674	T	88.4	Confident	86.5	Confident	59 Å²	59	45.8 Å²	45.8	36%	0.362	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.6	-9.2	-170.3	48.2	0	0	0	0	114.1	C671 T676 P691	C671-T674 VanDerWaalsContact CB-OG1 3.28Å; C671-T674 WeakPolarHBondContact CB-OG1 3.26Å; C671-T674 PolarHBondContact O-N 2.98Å; C671-T674 PolarHBondContact O-OG1 2.88Å; C671-T674 PolarHBondContact SG-OG1 2.76Å; T674-T676 PolarHBondContact O-N 2.72Å; T674-T676 PolarHBondContact OG1-OG1 3.01Å; T674-P691 HydrophobicContact CG2-CG 3.78Å
675	R	93	Very high	85.7	Confident	89 Å²	89	43.2 Å²	43.2	34%	0.336	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	34.5	-169.5	-63.7	168.6	60.3	77.7	-6.5	112.6	D658 C659 D660 C671	D658-R675 PolarHBondContact N-O 3.48Å; D658-R675 IonicContact OD1-CZ 3.62Å; D658-R675 VanDerWaalsContact OD1-CZ 3.23Å; D658-R675 IonicContact OD1-NE 2.93Å; D658-R675 PolarHBondContact OD1-NE 2.83Å; D658-R675 IonicContact OD1-NH2 2.84Å; D658-R675 PolarHBondContact OD1-NH2 2.02Å; C659-R675 PolarHBondContact N-O 3.17Å; D660-R675 IonicContact OD1-CZ 3.48Å; D660-R675 IonicContact OD1-NH1 2.65Å; D660-R675 PolarHBondContact OD1-NH1 3.1Å; D660-R675 IonicContact OD1-NH2 3.51Å; D660-R675 PolarHBondContact OD1-NH2 2.91Å; C671-R675 WeakPolarHBondContact O-CA 3.44Å; C671-R675 PolarHBondContact O-N 3.37Å
676	T	92.5	Very high	85.1	Confident	25 Å²	25	42.7 Å²	42.7	15%	0.153	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	157.4	179.2	59	0	0	0	0	112.9	E656 T657 Y670 C671 T674 F678	E656-T676 WeakPolarHBondContact O-CA 3.4Å; E656-T676 WeakPolarHBondContact O-CB 3.34Å; T657-T676 HydrophobicContact CG2-CG2 4.09Å; Y670-T676 WeakPolarHBondContact CD2-O 3.49Å; C671-T676 WeakPolarHBondContact CB-O 3.49Å; C671-T676 WeakPolarHBondContact CB-OG1 3.47Å; C671-T676 PolarHBondContact N-O 3.12Å; C671-T676 PolarHBondContact O-N 2.96Å; T674-T676 PolarHBondContact O-N 2.72Å; T674-T676 PolarHBondContact OG1-OG1 3.01Å; T676-F678 WeakPolarHBondContact OG1-CE2 3.32Å
677	C	94	Very high	84.7	Confident	0 Å²	0	41 Å²	41	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	142.1	174.4	-79.3	0	0	0	0	110.6	E656 C662 F669	E656-C677 PolarHBondContact O-N 2.94Å; E656-C677 WeakPolarHBondContact OE2-CB 3.5Å; C662-C677 WeakPolarHBondContact CA-SG 3.02Å; C662-C677 HydrophobicContact CB-CB 4.07Å; C662-C677 WeakPolarHBondContact CB-SG 2.93Å; C662-C677 PolarHBondContact N-SG 3.36Å; C662-C677 VanDerWaalsContact N-SG 3.42Å; C662-C677 WeakPolarHBondContact SG-CB 3.05Å; C662-C677 CovalentContact SG-SG 2.04Å; C662-C677 PolarHBondContact SG-SG 3.05Å; F669-C677 WeakPolarHBondContact O-CA 3.26Å
678	F	88.8	Confident	84.6	Confident	30 Å²	30	37.9 Å²	37.9	13%	0.132	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	155.6	-176.9	-71.8	-69.5	0	0	0	109.7	G646 A668 F669 C671 T676 A682 D689	G646-F678 WeakPolarHBondContact CA-O 3.09Å; G646-F678 CarbonylContact O-C 3.55Å; G646-F678 VanDerWaalsContact O-C 3.31Å; A668-F678 CarbonylContact C-O 3.24Å; A668-F678 WeakPolarHBondContact CA-O 3.36Å; A668-F678 VanDerWaalsContact CB-O 3.3Å; A668-F678 WeakPolarHBondContact CB-O 3.05Å; F669-F678 HydrophobicContact CB-CB 4.4Å; F669-F678 PolarHBondContact N-O 3.07Å; F669-F678 PolarHBondContact O-N 2.75Å; C671-F678 HydrophobicContact CB-CD2 3.95Å; C671-F678 HydrophobicContact CB-CE2 3.71Å; T676-F678 WeakPolarHBondContact OG1-CE2 3.32Å; F678-A682 HydrophobicContact CB-CB 3.74Å; F678-D689 HydrophobicContact CD1-CB 4.12Å; F678-D689 HydrophobicContact CD2-CB 4.3Å; F678-D689 HydrophobicContact CE1-CB 3.99Å; F678-D689 HydrophobicContact CE2-CB 4.17Å; F678-D689 WeakPolarHBondContact CE2-O 3.13Å; F678-D689 HydrophobicContact CG-CB 4.27Å; F678-D689 HydrophobicContact CZ-CB 4.01Å; F678-D689 VanDerWaalsContact CZ-O 3.22Å; F678-D689 WeakPolarHBondContact CZ-O 3.44Å
679	P	84.2	Confident	84.6	Confident	25 Å²	25	39.7 Å²	39.7	16%	0.162	20%	0.195	C	C	.	.			trans	-67.2	159.8	-176	30	-36.4	0	0	0	109.8	G646 Y647 T681 A682	G646-P679 WeakPolarHBondContact O-CA 3.07Å; G646-P679 WeakPolarHBondContact O-CD 3.04Å; Y647-P679 HydrophobicContact CD1-CB 4.1Å; Y647-P679 HydrophobicContact CE1-CB 3.52Å; P679-T681 WeakPolarHBondContact CB-OG1 2.96Å; P679-T681 PolarHBondContact O-N 2.93Å; P679-A682 HydrophobicContact CG-CB 4.23Å; P679-A682 VanDerWaalsContact O-CB 3.25Å; P679-A682 WeakPolarHBondContact O-CB 3.48Å; P679-A682 PolarHBondContact O-N 3.02Å
680	R	79.2	Confident	84.5	Confident	60 Å²	60	38.1 Å²	38.1	23%	0.226	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-52.9	-33.9	178.7	-176.3	-173.1	179.1	159.5	6.7	112.5	H667 A682 R683 F718	H667-R680 WeakPolarHBondContact O-CA 3.24Å; H667-R680 VanDerWaalsContact O-CB 3.23Å; H667-R680 WeakPolarHBondContact O-CB 3.42Å; H667-R680 WeakPolarHBondContact O-CG 3.47Å; R680-A682 VanDerWaalsContact C-N 3.25Å; R680-A682 PolarHBondContact O-N 3.38Å; R680-R683 PolarHBondContact O-N 3.22Å; R680-F718 VanDerWaalsContact NH2-CE2 3.26Å
681	T	74.7	Confident	84.1	Confident	54 Å²	54	38.1 Å²	38.1	33%	0.331	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-68.4	-16.1	-179.8	38.3	0	0	0	0	114.1	E584 P679 N685 Q724	E584-T681 PolarHBondContact OE1-OG1 2.94Å; P679-T681 WeakPolarHBondContact CB-OG1 2.96Å; P679-T681 PolarHBondContact O-N 2.93Å; T681-N685 WeakPolarHBondContact O-CB 3.31Å; T681-Q724 PolarHBondContact O-NE2 2.83Å
682	A	80.7	Confident	83.5	Confident	3 Å²	3	40.8 Å²	40.8	3%	0.025	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-72.4	-29.8	173.7	0	0	0	0	0	113	F678 P679 R680 C684 N685 D689	F678-A682 HydrophobicContact CB-CB 3.74Å; P679-A682 HydrophobicContact CG-CB 4.23Å; P679-A682 VanDerWaalsContact O-CB 3.25Å; P679-A682 WeakPolarHBondContact O-CB 3.48Å; P679-A682 PolarHBondContact O-N 3.02Å; R680-A682 VanDerWaalsContact C-N 3.25Å; R680-A682 PolarHBondContact O-N 3.38Å; A682-C684 PolarHBondContact O-N 3.5Å; A682-N685 PolarHBondContact O-ND2 3.04Å; A682-N685 PolarHBondContact O-OD1 2.81Å; A682-D689 VanDerWaalsContact CB-OD2 3.3Å; A682-D689 WeakPolarHBondContact CB-OD2 3.37Å
683	R	82.7	Confident	83.1	Confident	53 Å²	53	37.9 Å²	37.9	20%	0.2	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	121.3	-178.3	-174.5	170.4	173.7	-106.7	-15.1	110.9	F669 R680 D695 E720	F669-R683 HydrophobicContact CB-CB 4.34Å; F669-R683 HydrophobicContact CD2-CB 4.11Å; F669-R683 HydrophobicContact CD2-CG 4.12Å; F669-R683 HydrophobicContact CE2-CG 4.36Å; F669-R683 HydrophobicContact CG-CB 4.22Å; R680-R683 PolarHBondContact O-N 3.22Å; R683-D695 WeakPolarHBondContact CG-O 3.38Å; R683-E720 IonicContact CZ-OE1 3.81Å; R683-E720 VanDerWaalsContact CZ-OE1 3.3Å; R683-E720 IonicContact NH1-OE1 2.77Å; R683-E720 PolarHBondContact NH1-OE1 2.69Å; R683-E720 IonicContact NH2-OE1 3.31Å; R683-E720 PolarHBondContact NH2-OE1 3.38Å; R683-E720 IonicContact NH2-OE2 2.8Å
684	C	79.2	Confident	83	Confident	1 Å²	1	37.4 Å²	37.4	1%	0.007	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.2	34.1	180	-59.8	0	0	0	0	112.9	A682 D695 E696 C699 E720 C721 C737	A682-C684 PolarHBondContact O-N 3.5Å; C684-D695 PolarHBondContact N-O 2.99Å; C684-E696 VanDerWaalsContact C-OE1 3.29Å; C684-E696 VanDerWaalsContact C-OE2 3.27Å; C684-E696 WeakPolarHBondContact CA-OE1 3.49Å; C684-E696 VanDerWaalsContact CA-OE2 3.28Å; C684-E696 WeakPolarHBondContact CA-OE2 3.39Å; C684-E696 PolarHBondContact N-OE1 3.22Å; C684-C699 HydrophobicContact CB-CB 3.87Å; C684-C699 WeakPolarHBondContact CB-SG 3.37Å; C684-C699 WeakPolarHBondContact SG-CB 3.47Å; C684-C699 CovalentContact SG-SG 2.03Å; C684-C699 PolarHBondContact SG-SG 3.25Å; C684-E720 HydrophobicContact CB-CB 3.67Å; C684-E720 WeakPolarHBondContact CB-O 3.33Å; C684-C721 VanDerWaalsContact O-CA 3.3Å; C684-C721 WeakPolarHBondContact O-CA 3.46Å; C684-C737 HydrophobicContact CB-CB 4.47Å; C684-C737 VanDerWaalsContact CB-SG 3.58Å
685	N	74.4	Confident	82.8	Confident	10 Å²	10	34.6 Å²	34.6	5%	0.053	18%	0.175	C	C	.	.	S	Bend	trans	-85.1	-6	179.2	65.9	3.7	0	0	0	114.3	T681 A682 E687 D689 E696 Q724 T728	T681-N685 WeakPolarHBondContact O-CB 3.31Å; A682-N685 PolarHBondContact O-ND2 3.04Å; A682-N685 PolarHBondContact O-OD1 2.81Å; N685-E687 PolarHBondContact O-N 3.05Å; N685-E687 WeakPolarHBondContact OD1-CA 3.32Å; N685-E687 PolarHBondContact OD1-N 3.24Å; N685-E687 PolarHBondContact OD1-O 2.7Å; N685-E687 VanDerWaalsContact OD1-O 3.05Å; N685-D689 PolarHBondContact ND2-OD2 3.25Å; N685-E696 PolarHBondContact N-OE1 2.66Å; N685-E696 PolarHBondContact N-OE2 3.34Å; N685-E696 PolarHBondContact OD1-OE1 2.75Å; N685-Q724 HydrophobicContact CB-CG 4.18Å; N685-Q724 VanDerWaalsContact O-CG 3.32Å; N685-Q724 WeakPolarHBondContact O-CG 3.18Å; N685-T728 WeakPolarHBondContact O-CG2 3.3Å
686	G	74.4	Confident	82.3	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.159	C	C	.	.	S	Bend	trans	73.8	-4.6	-173.9	0	0	0	0	0	115.4	E696 L739	G686-E696 VanDerWaalsContact CA-OE2 3.23Å; G686-E696 WeakPolarHBondContact CA-OE2 3.13Å; G686-E696 VanDerWaalsContact N-CD 3.28Å; G686-E696 PolarHBondContact N-OE2 3.11Å; G686-L739 WeakPolarHBondContact O-CG 3.22Å; G686-L739 PolarHBondContact O-N 2.95Å
687	E	77.6	Confident	81.6	Confident	80 Å²	80	31.8 Å²	31.8	37%	0.374	17%	0.166	S	C	.	.	S	Bend	trans	-89	171.4	162.6	-54.1	-147	115	0	0	108.7	N685 E696 L739 R741	N685-E687 PolarHBondContact O-N 3.05Å; N685-E687 WeakPolarHBondContact OD1-CA 3.32Å; N685-E687 PolarHBondContact OD1-N 3.24Å; N685-E687 PolarHBondContact OD1-O 2.7Å; N685-E687 VanDerWaalsContact OD1-O 3.05Å; E687-E696 VanDerWaalsContact O-CD 3.28Å; E687-E696 WeakPolarHBondContact O-CG 2.94Å; E687-L739 HydrophobicContact CG-CD1 3.77Å; E687-L739 HydrophobicContact CG-CG 4.36Å; E687-R741 IonicContact OE1-NH2 2.94Å; E687-R741 PolarHBondContact OE1-NH2 2.03Å
688	V	81.2	Confident	80.8	Confident	44 Å²	44	36.8 Å²	36.8	27%	0.267	19%	0.192	S	C	.	.			trans	-125.7	86.5	-179.3	178.1	0	0	0	0	107.7	C690 Y693 E696 F750	V688-C690 WeakPolarHBondContact CG1-O 3.27Å; V688-Y693 HydrophobicContact CG1-CD1 3.93Å; V688-Y693 HydrophobicContact CG1-CE1 4.18Å; V688-Y693 HydrophobicContact CG1-CG 4.15Å; V688-Y693 HydrophobicContact CG2-CD1 3.86Å; V688-Y693 HydrophobicContact CG2-CE1 4.13Å; V688-E696 HydrophobicContact CG2-CG 4.26Å; V688-F750 HydrophobicContact CB-CD1 4.48Å; V688-F750 HydrophobicContact CB-CE1 3.86Å; V688-F750 HydrophobicContact CG1-CE1 4.24Å; V688-F750 HydrophobicContact CG2-CD1 3.69Å; V688-F750 HydrophobicContact CG2-CE1 3.57Å
689	D	86.1	Confident	80.2	Confident	54 Å²	54	35.3 Å²	35.3	29%	0.289	19%	0.186	S	C	.	.			trans	-73.7	-33	176	-66.6	-56.5	0	0	0	110.7	F678 A682 N685 D695	F678-D689 HydrophobicContact CD1-CB 4.12Å; F678-D689 HydrophobicContact CD2-CB 4.3Å; F678-D689 HydrophobicContact CE1-CB 3.99Å; F678-D689 HydrophobicContact CE2-CB 4.17Å; F678-D689 WeakPolarHBondContact CE2-O 3.13Å; F678-D689 HydrophobicContact CG-CB 4.27Å; F678-D689 HydrophobicContact CZ-CB 4.01Å; F678-D689 VanDerWaalsContact CZ-O 3.22Å; F678-D689 WeakPolarHBondContact CZ-O 3.44Å; A682-D689 VanDerWaalsContact CB-OD2 3.3Å; A682-D689 WeakPolarHBondContact CB-OD2 3.37Å; N685-D689 PolarHBondContact ND2-OD2 3.25Å; D689-D695 WeakPolarHBondContact CA-OD2 3.38Å; D689-D695 WeakPolarHBondContact CB-OD2 3.47Å; D689-D695 PolarHBondContact N-OD2 2.91Å
690	C	86.3	Confident	79.5	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.188	C	C	.	.	S	Bend	trans	-95.9	126.1	175	-86.1	0	0	0	0	113.1	F669 C671 V688 D692 Y693 D695	F669-C690 VanDerWaalsContact CE1-SG 3.59Å; C671-C690 VanDerWaalsContact CA-SG 3.5Å; C671-C690 HydrophobicContact CB-CB 4.48Å; C671-C690 WeakPolarHBondContact CB-SG 2.95Å; C671-C690 WeakPolarHBondContact SG-CA 3.43Å; C671-C690 WeakPolarHBondContact SG-CB 3.02Å; C671-C690 CovalentContact SG-SG 2.03Å; C671-C690 PolarHBondContact SG-SG 2.03Å; V688-C690 WeakPolarHBondContact CG1-O 3.27Å; C690-D692 WeakPolarHBondContact CB-OD1 3.47Å; C690-D692 PolarHBondContact O-N 3.25Å; C690-Y693 PolarHBondContact O-N 3.43Å; C690-D695 HydrophobicContact CB-CB 4.38Å; C690-D695 PolarHBondContact N-OD2 3.03Å
691	P	83.7	Confident	78.5	Confident	54 Å²	54	35 Å²	35	35%	0.351	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-14.9	176	-26.7	35.5	0	0	0	115.6	M673 T674	M673-P691 HydrophobicContact CG-CB 4.47Å; T674-P691 HydrophobicContact CG2-CG 3.78Å
692	D	79.4	Confident	77.6	Confident	56 Å²	56	37 Å²	37	30%	0.299	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.3	7.6	176.7	73.9	-8.5	0	0	0	114.8	M673 C690 S694	M673-D692 HydrophobicContact CB-CB 4.13Å; M673-D692 HydrophobicContact CE-CB 3.61Å; M673-D692 HydrophobicContact CG-CB 4.34Å; C690-D692 WeakPolarHBondContact CB-OD1 3.47Å; C690-D692 PolarHBondContact O-N 3.25Å; D692-S694 PolarHBondContact O-N 2.7Å; D692-S694 WeakPolarHBondContact OD1-CB 3.34Å; D692-S694 PolarHBondContact OD1-N 3.39Å; D692-S694 PolarHBondContact OD1-OG 3.49Å
693	Y	78.7	Confident	76.1	Confident	49 Å²	49	38 Å²	38	19%	0.192	21%	0.214	C	C	.	.			trans	61.2	17.9	177.3	-52.3	-111.7	0	0	0	114.1	V688 C690 D695 E696 D697 F750	V688-Y693 HydrophobicContact CG1-CD1 3.93Å; V688-Y693 HydrophobicContact CG1-CE1 4.18Å; V688-Y693 HydrophobicContact CG1-CG 4.15Å; V688-Y693 HydrophobicContact CG2-CD1 3.86Å; V688-Y693 HydrophobicContact CG2-CE1 4.13Å; C690-Y693 PolarHBondContact O-N 3.43Å; Y693-D695 VanDerWaalsContact C-N 3.3Å; Y693-D695 VanDerWaalsContact CA-OD1 3.26Å; Y693-D695 WeakPolarHBondContact CA-OD1 3.26Å; Y693-D695 PolarHBondContact O-N 3.26Å; Y693-E696 PolarHBondContact O-N 3.45Å; Y693-D697 PolarHBondContact O-N 3.46Å; Y693-F750 HydrophobicContact CD1-CD1 4.34Å; Y693-F750 HydrophobicContact CD1-CE1 4.42Å; Y693-F750 AromaticContact CE1-CD1 3.49Å; Y693-F750 HydrophobicContact CE1-CD1 3.49Å; Y693-F750 VanDerWaalsContact CE1-CD1 3.49Å; Y693-F750 AromaticContact CE1-CE1 3.47Å; Y693-F750 HydrophobicContact CE1-CE1 3.47Å; Y693-F750 VanDerWaalsContact CE1-CE1 3.47Å; Y693-F750 AromaticContact CZ-CE1 3.89Å
694	S	84.1	Confident	74.2	Confident	39 Å²	39	43.4 Å²	43.4	27%	0.273	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-20.2	-175.4	58.5	0	0	0	0	114.3	F669 D692	F669-S694 VanDerWaalsContact CZ-C 3.41Å; F669-S694 VanDerWaalsContact CZ-O 3.29Å; F669-S694 WeakPolarHBondContact CZ-O 3.39Å; D692-S694 PolarHBondContact O-N 2.7Å; D692-S694 WeakPolarHBondContact OD1-CB 3.34Å; D692-S694 PolarHBondContact OD1-N 3.39Å; D692-S694 PolarHBondContact OD1-OG 3.49Å
695	D	84	Confident	72.4	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-45.8	165.7	46	-5.9	0	0	0	111.9	F669 R683 C684 D689 C690 Y693	F669-D695 HydrophobicContact CD1-CB 4.02Å; F669-D695 VanDerWaalsContact CE1-CA 3.45Å; F669-D695 HydrophobicContact CE1-CB 3.67Å; F669-D695 HydrophobicContact CZ-CB 4.3Å; R683-D695 WeakPolarHBondContact CG-O 3.38Å; C684-D695 PolarHBondContact N-O 2.99Å; D689-D695 WeakPolarHBondContact CA-OD2 3.38Å; D689-D695 WeakPolarHBondContact CB-OD2 3.47Å; D689-D695 PolarHBondContact N-OD2 2.91Å; C690-D695 HydrophobicContact CB-CB 4.38Å; C690-D695 PolarHBondContact N-OD2 3.03Å; Y693-D695 VanDerWaalsContact C-N 3.3Å; Y693-D695 VanDerWaalsContact CA-OD1 3.26Å; Y693-D695 WeakPolarHBondContact CA-OD1 3.26Å; Y693-D695 PolarHBondContact O-N 3.26Å
696	E	82.5	Confident	70.7	Confident	0 Å²	0	59 Å²	59	0%	0	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-5.8	-172.8	-64.9	-48.1	102.5	0	0	115.3	C684 N685 G686 E687 V688 Y693 C699 R736 C737	C684-E696 VanDerWaalsContact C-OE1 3.29Å; C684-E696 VanDerWaalsContact C-OE2 3.27Å; C684-E696 WeakPolarHBondContact CA-OE1 3.49Å; C684-E696 VanDerWaalsContact CA-OE2 3.28Å; C684-E696 WeakPolarHBondContact CA-OE2 3.39Å; C684-E696 PolarHBondContact N-OE1 3.22Å; N685-E696 PolarHBondContact N-OE1 2.66Å; N685-E696 PolarHBondContact N-OE2 3.34Å; N685-E696 PolarHBondContact OD1-OE1 2.75Å; G686-E696 VanDerWaalsContact CA-OE2 3.23Å; G686-E696 WeakPolarHBondContact CA-OE2 3.13Å; G686-E696 VanDerWaalsContact N-CD 3.28Å; G686-E696 PolarHBondContact N-OE2 3.11Å; E687-E696 VanDerWaalsContact O-CD 3.28Å; E687-E696 WeakPolarHBondContact O-CG 2.94Å; V688-E696 HydrophobicContact CG2-CG 4.26Å; Y693-E696 PolarHBondContact O-N 3.45Å; E696-C699 VanDerWaalsContact C-SG 3.54Å; E696-C699 PolarHBondContact O-SG 3.23Å; E696-R736 HydrophobicContact CB-CG 4.01Å; E696-R736 VanDerWaalsContact O-CA 3.25Å; E696-R736 WeakPolarHBondContact O-CA 3.38Å; E696-R736 WeakPolarHBondContact O-CG 3.31Å; E696-C737 PolarHBondContact O-N 3.43Å; E696-C737 WeakPolarHBondContact OE2-CB 3.34Å
697	D	79	Confident	69	Low	56 Å²	56	65.2 Å²	65.2	30%	0.299	34%	0.34	S	S	.	.	S	Bend	trans	-90.9	146.2	-177.5	-89.3	-22.7	0	0	0	114.5	Y693 C699 R736	Y693-D697 PolarHBondContact O-N 3.46Å; D697-C699 VanDerWaalsContact C-N 3.34Å; D697-C699 PolarHBondContact O-N 3.17Å; D697-R736 IonicContact OD1-CZ 3.22Å; D697-R736 IonicContact OD1-NE 2.74Å; D697-R736 PolarHBondContact OD1-NE 2.99Å; D697-R736 IonicContact OD1-NH2 2.7Å; D697-R736 PolarHBondContact OD1-NH2 2.03Å; D697-R736 IonicContact OD2-CZ 3.23Å; D697-R736 IonicContact OD2-NH2 2.74Å; D697-R736 PolarHBondContact OD2-NH2 3.36Å
698	N	76.6	Confident	66.9	Low	104 Å²	104	68.7 Å²	68.7	56%	0.556	36%	0.361	S	S	*	.	S	Bend	trans	56.6	43	178.1	-173.6	54.6	0	0	0	113.8	K735	N698-K735 PolarHBondContact N-O 2.97Å
699	C	76.8	Confident	64.7	Low	0 Å²	0	73.9 Å²	73.9	0%	0	38%	0.382	C	S	.	.			trans	-74.4	159.8	173.4	-54.5	0	0	0	0	111.8	C684 E696 D697 E720 M730 K735 C737	C684-C699 HydrophobicContact CB-CB 3.87Å; C684-C699 WeakPolarHBondContact CB-SG 3.37Å; C684-C699 WeakPolarHBondContact SG-CB 3.47Å; C684-C699 CovalentContact SG-SG 2.03Å; C684-C699 PolarHBondContact SG-SG 3.25Å; E696-C699 VanDerWaalsContact C-SG 3.54Å; E696-C699 PolarHBondContact O-SG 3.23Å; D697-C699 VanDerWaalsContact C-N 3.34Å; D697-C699 PolarHBondContact O-N 3.17Å; C699-E720 WeakPolarHBondContact CA-OE2 3.03Å; C699-E720 HydrophobicContact CB-CB 4Å; C699-M730 WeakPolarHBondContact O-CE 3.46Å; C699-K735 WeakPolarHBondContact CB-O 3.47Å; C699-K735 PolarHBondContact N-O 3.09Å; C699-K735 WeakPolarHBondContact O-CB 3.46Å; C699-C737 WeakPolarHBondContact CB-SG 3.41Å; C699-C737 PolarHBondContact SG-SG 3.47Å
700	T	67.8	Low	62.3	Low	32 Å²	32	77.4 Å²	77.4	20%	0.196	41%	0.408	C	S	.	.			trans	-135	136.5	-175.8	54.3	0	0	0	0	113.1	T702 E720	T700-T702 VanDerWaalsContact C-N 3.29Å; T700-T702 PolarHBondContact OG1-O 3.08Å; T700-E720 WeakPolarHBondContact CB-OE2 3.43Å; T700-E720 PolarHBondContact N-OE2 3Å; T700-E720 PolarHBondContact O-N 2.72Å; T700-E720 VanDerWaalsContact OG1-CD 3.27Å; T700-E720 PolarHBondContact OG1-OE2 2.76Å
701	C	59.1	Low	59.9	Low	47 Å²	47	86.3 Å²	86.3	32%	0.318	45%	0.447	S	S	.	.	S	Bend	trans	-74.5	-18.7	174.4	-78.1	0	0	0	0	114.3	C543 V719 M730	C543-C701 WeakPolarHBondContact CA-SG 3.39Å; C543-C701 HydrophobicContact CB-CB 3.48Å; C543-C701 VanDerWaalsContact CB-CB 3.48Å; C543-C701 WeakPolarHBondContact CB-SG 3.39Å; C543-C701 WeakPolarHBondContact SG-CA 3.41Å; C543-C701 WeakPolarHBondContact SG-CB 3.41Å; C543-C701 CovalentContact SG-SG 2.04Å; C543-C701 PolarHBondContact SG-SG 3.17Å; C701-V719 VanDerWaalsContact O-CG1 3.31Å; C701-V719 WeakPolarHBondContact O-CG1 3.35Å; C701-V719 WeakPolarHBondContact O-CG2 3Å; C701-M730 PolarHBondContact SG-SD 3.04Å
702	T	55.8	Low	57.4	Low	95 Å²	95	90 Å²	90	58%	0.583	47%	0.47	S	S	*	.	S	Bend	trans	-109.9	117.9	177.7	49.5	0	0	0	0	107.5	T700 E704	T700-T702 VanDerWaalsContact C-N 3.29Å; T700-T702 PolarHBondContact OG1-O 3.08Å; T702-E704 PolarHBondContact O-N 2.91Å
703	G	49.5	Very low	55.4	Low	23 Å²	23	98.4 Å²	98.4	24%	0.237	50%	0.498	C	S	.	.			trans	-71.8	36.8	-173.6	0	0	0	0	0	115.8	R705 A717 F718	G703-R705 PolarHBondContact O-N 2.86Å; G703-A717 WeakPolarHBondContact O-CA 2.99Å; G703-A717 WeakPolarHBondContact O-CB 3.17Å; G703-F718 VanDerWaalsContact CA-O 3.24Å; G703-F718 WeakPolarHBondContact CA-O 3.43Å
704	E	42.9	Very low	53.4	Low	167 Å²	167	102.1 Å²	102.1	78%	0.78	53%	0.526	S	S	*	.			trans	-91.1	85.1	174.3	-65.4	-163.6	137	0	0	110.6	T702 Q706	T702-E704 PolarHBondContact O-N 2.91Å; E704-Q706 PolarHBondContact O-N 3.44Å
705	R	41.4	Very low	51.1	Low	148 Å²	148	112.4 Å²	112.4	56%	0.558	56%	0.559	S	S	*	*			trans	-68.4	122.6	153.7	-76.9	-164	-143.8	176.6	8.8	108.5	G703 I707 E720	G703-R705 PolarHBondContact O-N 2.86Å; R705-I707 WeakPolarHBondContact O-CG1 3.14Å; R705-I707 PolarHBondContact O-N 2.79Å; R705-E720 IonicContact NE-OE1 2.71Å
706	Q	37.6	Very low	49	Very low	192 Å²	192	117.6 Å²	117.6	90%	0.897	59%	0.585	S	S	*	*			trans	-65.5	94.6	168.8	-175.4	175.5	-11.5	0	0	109.1	E704 D708	E704-Q706 PolarHBondContact O-N 3.44Å; Q706-D708 PolarHBondContact O-N 3.1Å; Q706-D708 VanDerWaalsContact O-N 3.13Å
707	I	38.1	Very low	46.7	Very low	130 Å²	130	120.8 Å²	120.8	67%	0.667	61%	0.612	S	S	*	*			trans	-77	98.9	-178.8	-50.4	-179.4	0	0	0	109.3	R705 H709	R705-I707 WeakPolarHBondContact O-CG1 3.14Å; R705-I707 PolarHBondContact O-N 2.79Å; I707-H709 HydrophobicContact CG2-CB 3.95Å; I707-H709 WeakPolarHBondContact CG2-O 3.05Å; I707-H709 PolarHBondContact O-N 3.48Å
708	D	34.3	Very low	45.1	Very low	152 Å²	152	120.9 Å²	120.9	81%	0.813	61%	0.61	S	S	*	*			trans	-78.6	39.9	171.2	-158.6	17.6	0	0	0	112.5	Q706	Q706-D708 PolarHBondContact O-N 3.1Å; Q706-D708 VanDerWaalsContact O-N 3.13Å
709	H	34.7	Very low	43.8	Very low	153 Å²	153	117.5 Å²	117.5	71%	0.708	59%	0.592	S	S	*	*	S	Bend	trans	-145.2	131.2	-178.8	-79.5	-15.7	0	0	0	112.2	I707 K711	I707-H709 HydrophobicContact CG2-CB 3.95Å; I707-H709 WeakPolarHBondContact CG2-O 3.05Å; I707-H709 PolarHBondContact O-N 3.48Å; H709-K711 PolarHBondContact O-N 2.59Å; H709-K711 VanDerWaalsContact O-N 3.08Å
710	P	35.8	Very low	43	Very low	129 Å²	129	118.5 Å²	118.5	84%	0.838	60%	0.597	S	S	*	*			trans	-89.7	70.4	-167.9	36.5	-37.9	0	0	0	113.8
711	K	35.4	Very low	42.7	Very low	187 Å²	187	117.1 Å²	117.1	81%	0.813	59%	0.589	S	S	*	*			trans	-141.3	113.2	165.4	-78.2	-170.3	-179.8	170.2	0	113	H709 R713	H709-K711 PolarHBondContact O-N 2.59Å; H709-K711 VanDerWaalsContact O-N 3.08Å; K711-R713 PolarHBondContact O-N 3.1Å
712	P	31.9	Very low	42.6	Very low	130 Å²	130	116.4 Å²	116.4	84%	0.844	58%	0.58	S	S	*	*			trans	-95.8	88.9	-179.7	35.5	-31.9	0	0	0	112
713	R	37.1	Very low	42.4	Very low	233 Å²	233	115.1 Å²	115.1	88%	0.879	57%	0.57	S	S	*	*			trans	-139.4	139.2	160.2	-71.8	-164.5	167.4	166.4	-3.1	110.4	K711	K711-R713 PolarHBondContact O-N 3.1Å
714	T	37	Very low	42.6	Very low	128 Å²	128	117.5 Å²	117.5	79%	0.785	58%	0.575	S	S	*	*			trans	49.8	84.5	-179.9	46.3	0	0	0	0	115.7	I716	T714-I716 PolarHBondContact O-N 2.88Å
715	R	36.1	Very low	43	Very low	254 Å²	254	115.6 Å²	115.6	96%	0.958	57%	0.569	S	S	*	*			trans	-65	108.6	157.4	-69.6	-178.9	-177.3	-179.6	-2.1	108.2
716	I	38.7	Very low	43.5	Very low	110 Å²	110	112.5 Å²	112.5	56%	0.564	56%	0.561	S	S	*	*			trans	-114.9	101.6	156.5	-40.6	177	0	0	0	106.1	T714 F718	T714-I716 PolarHBondContact O-N 2.88Å; I716-F718 HydrophobicContact CB-CD2 4Å; I716-F718 HydrophobicContact CB-CE2 3.73Å; I716-F718 HydrophobicContact CD1-CE2 4.48Å; I716-F718 HydrophobicContact CG2-CD2 3.62Å; I716-F718 HydrophobicContact CG2-CE2 3.27Å; I716-F718 HydrophobicContact CG2-CZ 4.25Å; I716-F718 PolarHBondContact O-N 3.26Å
717	A	36.1	Very low	44.3	Very low	67 Å²	67	104.4 Å²	104.4	55%	0.554	53%	0.525	S	S	*	.			trans	-78.6	92.3	177.7	0	0	0	0	0	107.9	G703 V719	G703-A717 WeakPolarHBondContact O-CA 2.99Å; G703-A717 WeakPolarHBondContact O-CB 3.17Å; A717-V719 PolarHBondContact O-N 3.03Å
718	F	43.6	Very low	45.4	Very low	58 Å²	58	98.5 Å²	98.5	25%	0.254	50%	0.496	S	S	.	.			trans	-76.9	118	173.2	-81.5	-113.1	0	0	0	107.9	R680 G703 I716 E720 N723	R680-F718 VanDerWaalsContact NH2-CE2 3.26Å; G703-F718 VanDerWaalsContact CA-O 3.24Å; G703-F718 WeakPolarHBondContact CA-O 3.43Å; I716-F718 HydrophobicContact CB-CD2 4Å; I716-F718 HydrophobicContact CB-CE2 3.73Å; I716-F718 HydrophobicContact CD1-CE2 4.48Å; I716-F718 HydrophobicContact CG2-CD2 3.62Å; I716-F718 HydrophobicContact CG2-CE2 3.27Å; I716-F718 HydrophobicContact CG2-CZ 4.25Å; I716-F718 PolarHBondContact O-N 3.26Å; F718-E720 PolarHBondContact O-N 3.23Å; F718-N723 WeakPolarHBondContact CE1-ND2 3.44Å
719	V	50.8	Low	46.9	Very low	32 Å²	32	91.8 Å²	91.8	19%	0.194	46%	0.459	C	S	.	.			trans	-70.8	120	163.1	179	0	0	0	0	106	C543 C701 A717 C721 K722	C543-V719 HydrophobicContact CB-CG1 3.57Å; C701-V719 VanDerWaalsContact O-CG1 3.31Å; C701-V719 WeakPolarHBondContact O-CG1 3.35Å; C701-V719 WeakPolarHBondContact O-CG2 3Å; A717-V719 PolarHBondContact O-N 3.03Å; V719-C721 PolarHBondContact O-N 3.47Å; V719-K722 HydrophobicContact CB-CB 3.83Å; V719-K722 HydrophobicContact CB-CD 3.9Å; V719-K722 HydrophobicContact CB-CG 4.31Å; V719-K722 HydrophobicContact CG1-CB 3.79Å; V719-K722 HydrophobicContact CG1-CD 3.69Å; V719-K722 HydrophobicContact CG1-CG 3.89Å; V719-K722 HydrophobicContact CG2-CD 4.44Å; V719-K722 WeakPolarHBondContact O-CB 3.42Å; V719-K722 PolarHBondContact O-N 3.46Å
720	E	58.4	Low	48.5	Very low	21 Å²	21	85.6 Å²	85.6	10%	0.098	43%	0.431	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-39.6	-156.1	-65.9	178.5	138.3	0	0	111.7	R683 C684 C699 T700 R705 F718 K722	R683-E720 IonicContact CZ-OE1 3.81Å; R683-E720 VanDerWaalsContact CZ-OE1 3.3Å; R683-E720 IonicContact NH1-OE1 2.77Å; R683-E720 PolarHBondContact NH1-OE1 2.69Å; R683-E720 IonicContact NH2-OE1 3.31Å; R683-E720 PolarHBondContact NH2-OE1 3.38Å; R683-E720 IonicContact NH2-OE2 2.8Å; C684-E720 HydrophobicContact CB-CB 3.67Å; C684-E720 WeakPolarHBondContact CB-O 3.33Å; C699-E720 WeakPolarHBondContact CA-OE2 3.03Å; C699-E720 HydrophobicContact CB-CB 4Å; T700-E720 WeakPolarHBondContact CB-OE2 3.43Å; T700-E720 PolarHBondContact N-OE2 3Å; T700-E720 PolarHBondContact O-N 2.72Å; T700-E720 VanDerWaalsContact OG1-CD 3.27Å; T700-E720 PolarHBondContact OG1-OE2 2.76Å; R705-E720 IonicContact NE-OE1 2.71Å; F718-E720 PolarHBondContact O-N 3.23Å; E720-K722 PolarHBondContact O-N 2.76Å
721	C	63.3	Low	50	Low	4 Å²	4	79.7 Å²	79.7	3%	0.027	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	7.7	177.4	-59	0	0	0	0	116.8	C684 V719 T728 C737	C684-C721 VanDerWaalsContact O-CA 3.3Å; C684-C721 WeakPolarHBondContact O-CA 3.46Å; V719-C721 PolarHBondContact O-N 3.47Å; C721-T728 VanDerWaalsContact O-CB 3.32Å; C721-T728 WeakPolarHBondContact O-CB 3.42Å; C721-T728 PolarHBondContact O-OG1 3.26Å; C721-C737 WeakPolarHBondContact CA-SG 3.3Å; C721-C737 HydrophobicContact CB-CB 3.73Å; C721-C737 WeakPolarHBondContact CB-SG 3.09Å; C721-C737 WeakPolarHBondContact SG-CB 3.27Å; C721-C737 CovalentContact SG-SG 2.02Å; C721-C737 PolarHBondContact SG-SG 3.41Å
722	K	56.9	Low	51.3	Low	31 Å²	31	77.1 Å²	77.1	14%	0.135	38%	0.378	C	S	.	.			trans	-120.8	8.2	-144.4	-118.6	-157.2	-159.8	138.9	0	120.4	C543 E544 M545 V719 E720	C543-K722 WeakPolarHBondContact O-CE 3.37Å; C543-K722 PolarHBondContact O-NZ 2.85Å; E544-K722 PolarHBondContact O-NZ 2.88Å; M545-K722 HydrophobicContact CE-CD 4.09Å; M545-K722 HydrophobicContact CG-CD 3.62Å; M545-K722 VanDerWaalsContact CG-NZ 3.29Å; M545-K722 HydrophobicContact SD-CD 4.22Å; V719-K722 HydrophobicContact CB-CB 3.83Å; V719-K722 HydrophobicContact CB-CD 3.9Å; V719-K722 HydrophobicContact CB-CG 4.31Å; V719-K722 HydrophobicContact CG1-CB 3.79Å; V719-K722 HydrophobicContact CG1-CD 3.69Å; V719-K722 HydrophobicContact CG1-CG 3.89Å; V719-K722 HydrophobicContact CG2-CD 4.44Å; V719-K722 WeakPolarHBondContact O-CB 3.42Å; V719-K722 PolarHBondContact O-N 3.46Å; E720-K722 PolarHBondContact O-N 2.76Å
723	N	50.9	Low	52.5	Low	69 Å²	69	78 Å²	78	37%	0.369	37%	0.37	S	S	.	.			trans	-108.9	25.7	-169.7	-94.4	31.7	0	0	0	114.8	F718	F718-N723 WeakPolarHBondContact CE1-ND2 3.44Å
724	Q	54.5	Low	53.8	Low	73 Å²	73	73.2 Å²	73.2	34%	0.341	35%	0.352	S	S	.	.			trans	-105.6	154.4	-169.4	-59	-47.9	-35.8	0	0	115.7	T681 N685 E726 T728	T681-Q724 PolarHBondContact O-NE2 2.83Å; N685-Q724 HydrophobicContact CB-CG 4.18Å; N685-Q724 VanDerWaalsContact O-CG 3.32Å; N685-Q724 WeakPolarHBondContact O-CG 3.18Å; Q724-E726 VanDerWaalsContact C-N 3.33Å; Q724-E726 WeakPolarHBondContact CB-O 3.31Å; Q724-T728 HydrophobicContact CB-CG2 3.99Å; Q724-T728 HydrophobicContact CG-CG2 3.67Å
725	L	50.7	Low	55.4	Low	126 Å²	126	71.7 Å²	71.7	66%	0.66	34%	0.335	S	S	*	.	S	Bend	trans	-78.9	-18.3	167.6	-71.2	161.4	0	0	0	112.1
726	E	52.1	Low	57.2	Low	83 Å²	83	60.9 Å²	60.9	39%	0.388	29%	0.294	S	S	.	.	S	Bend	trans	-108.6	156.7	175.6	-74.4	-158.8	-158.4	0	0	111.7	Q724 T728 L739 R741	Q724-E726 VanDerWaalsContact C-N 3.33Å; Q724-E726 WeakPolarHBondContact CB-O 3.31Å; E726-T728 PolarHBondContact O-N 2.81Å; E726-L739 HydrophobicContact CB-CD2 3.56Å; E726-L739 WeakPolarHBondContact OE2-CD1 3.05Å; E726-R741 VanDerWaalsContact CD-NH1 3.29Å; E726-R741 IonicContact OE1-NH1 2.73Å; E726-R741 PolarHBondContact OE1-NH1 2.76Å; E726-R741 IonicContact OE2-CZ 3.09Å; E726-R741 IonicContact OE2-NH1 3.56Å; E726-R741 PolarHBondContact OE2-NH1 3.43Å
727	P	54.7	Low	59	Low	22 Å²	22	55.6 Å²	55.6	14%	0.143	27%	0.267	C	S	.	.			trans	-73.8	111.1	-177.2	25.9	-30.7	0	0	0	112.9	D525 W542 L739 R740	D525-P727 VanDerWaalsContact C-CB 3.43Å; D525-P727 HydrophobicContact CB-CG 4.32Å; D525-P727 WeakPolarHBondContact O-CB 2.99Å; D525-P727 WeakPolarHBondContact O-CD 3Å; D525-P727 WeakPolarHBondContact O-CG 2.83Å; W542-P727 HydrophobicContact CH2-CB 3.7Å; W542-P727 HydrophobicContact CZ2-CB 3.62Å; P727-L739 WeakPolarHBondContact O-CA 3.06Å; P727-R740 HydrophobicContact CB-CB 4.32Å; P727-R740 HydrophobicContact CG-CB 4.17Å; P727-R740 PolarHBondContact O-N 3.41Å
728	T	61.2	Low	60.7	Low	7 Å²	7	52.5 Å²	52.5	4%	0.043	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	133.5	176	46	0	0	0	0	112.1	N685 C721 Q724 E726 L739	N685-T728 WeakPolarHBondContact O-CG2 3.3Å; C721-T728 VanDerWaalsContact O-CB 3.32Å; C721-T728 WeakPolarHBondContact O-CB 3.42Å; C721-T728 PolarHBondContact O-OG1 3.26Å; Q724-T728 HydrophobicContact CB-CG2 3.99Å; Q724-T728 HydrophobicContact CG-CG2 3.67Å; E726-T728 PolarHBondContact O-N 2.81Å; T728-L739 HydrophobicContact CG2-CD2 3.91Å
729	F	65.5	Low	61.9	Low	11 Å²	11	49.9 Å²	49.9	5%	0.048	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	132.8	-178.7	-176.7	-75.6	0	0	0	110	P540 C737 L738 T743 D759	P540-F729 WeakPolarHBondContact O-CE2 3.42Å; F729-C737 WeakPolarHBondContact O-CA 3.35Å; F729-L738 PolarHBondContact N-O 3.39Å; F729-L738 PolarHBondContact O-N 2.03Å; F729-T743 HydrophobicContact CB-CG2 3.86Å; F729-T743 HydrophobicContact CD1-CG2 3.73Å; F729-T743 HydrophobicContact CG-CG2 4.04Å; F729-D759 HydrophobicContact CE1-CB 4.42Å; F729-D759 HydrophobicContact CZ-CB 3.87Å
730	M	68	Low	62.4	Low	22 Å²	22	49.7 Å²	49.7	11%	0.108	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	109.4	177.9	-169.1	179.3	-178	0	0	111.3	G541 C699 C701 R732 K735 R736	G541-M730 VanDerWaalsContact O-CB 3.25Å; G541-M730 WeakPolarHBondContact O-CB 3.33Å; G541-M730 PolarHBondContact O-N 3.11Å; C699-M730 WeakPolarHBondContact O-CE 3.46Å; C701-M730 PolarHBondContact SG-SD 3.04Å; M730-R732 PolarHBondContact O-N 3.26Å; M730-R732 VanDerWaalsContact O-N 3.11Å; M730-K735 HydrophobicContact CE-CB 3.51Å; M730-K735 HydrophobicContact CE-CD 4.46Å; M730-K735 HydrophobicContact CE-CG 3.87Å; M730-R736 CarbonylContact C-O 3.59Å; M730-R736 WeakPolarHBondContact CA-O 3.34Å
731	C	66.5	Low	62.6	Low	5 Å²	5	54.8 Å²	54.8	3%	0.034	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	112.8	170.1	-56.5	0	0	0	0	110	E733 R734 K735 R736 L738 C752	C731-E733 PolarHBondContact O-N 3.36Å; C731-R734 PolarHBondContact O-N 3.03Å; C731-K735 VanDerWaalsContact O-CA 3.32Å; C731-K735 WeakPolarHBondContact O-CA 3.04Å; C731-K735 PolarHBondContact O-N 3.05Å; C731-R736 HydrophobicContact CB-CB 4.45Å; C731-R736 PolarHBondContact N-O 2.91Å; C731-R736 PolarHBondContact O-N 2.88Å; C731-L738 VanDerWaalsContact SG-CD1 3.57Å; C731-C752 VanDerWaalsContact CA-SG 3.57Å; C731-C752 HydrophobicContact CB-CB 3.78Å; C731-C752 WeakPolarHBondContact CB-SG 3.07Å; C731-C752 WeakPolarHBondContact SG-CA 3.38Å; C731-C752 WeakPolarHBondContact SG-CB 3.21Å; C731-C752 CovalentContact SG-SG 2.04Å; C731-C752 PolarHBondContact SG-SG 2.88Å
732	R	62.7	Low	62.7	Low	133 Å²	133	56.6 Å²	56.6	50%	0.502	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-44	-172.4	-71.4	174.5	169.9	177	2.3	114.2	M730 E758	M730-R732 PolarHBondContact O-N 3.26Å; M730-R732 VanDerWaalsContact O-N 3.11Å; R732-E758 IonicContact CZ-OE2 3.54Å; R732-E758 IonicContact NH1-OE2 2.76Å; R732-E758 PolarHBondContact NH1-OE2 3.4Å
733	E	58.7	Low	62.9	Low	148 Å²	148	55.5 Å²	55.5	69%	0.692	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-44.3	-175.6	-63	-157.7	147.2	0	0	113.3	C731	C731-E733 PolarHBondContact O-N 3.36Å
734	R	62.6	Low	63.2	Low	133 Å²	133	52.9 Å²	52.9	50%	0.502	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-11.5	-176.7	-71	-165.1	172.6	-169.8	1.4	114.4	C731 R736 P753	C731-R734 PolarHBondContact O-N 3.03Å; R734-R736 HydrophobicContact CB-CB 4.13Å; R734-R736 PolarHBondContact O-N 2.73Å; R734-P753 HydrophobicContact CG-CG 4.27Å; R734-P753 VanDerWaalsContact NE-CG 3.27Å
735	K	71.9	Confident	63.5	Low	96 Å²	96	51.9 Å²	51.9	42%	0.417	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.9	42.8	-168.6	-56.6	-176.4	-177.1	176.6	0	112.4	N698 C699 M730 C731	N698-K735 PolarHBondContact N-O 2.97Å; C699-K735 WeakPolarHBondContact CB-O 3.47Å; C699-K735 PolarHBondContact N-O 3.09Å; C699-K735 WeakPolarHBondContact O-CB 3.46Å; M730-K735 HydrophobicContact CE-CB 3.51Å; M730-K735 HydrophobicContact CE-CD 4.46Å; M730-K735 HydrophobicContact CE-CG 3.87Å; C731-K735 VanDerWaalsContact O-CA 3.32Å; C731-K735 WeakPolarHBondContact O-CA 3.04Å; C731-K735 PolarHBondContact O-N 3.05Å
736	R	73.8	Confident	63.8	Low	27 Å²	27	51.2 Å²	51.2	10%	0.102	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	130.3	-177.8	-176.6	-179.7	-71.5	-157.3	-13.4	109.5	E696 D697 M730 C731 R734 L738	E696-R736 HydrophobicContact CB-CG 4.01Å; E696-R736 VanDerWaalsContact O-CA 3.25Å; E696-R736 WeakPolarHBondContact O-CA 3.38Å; E696-R736 WeakPolarHBondContact O-CG 3.31Å; D697-R736 IonicContact OD1-CZ 3.22Å; D697-R736 IonicContact OD1-NE 2.74Å; D697-R736 PolarHBondContact OD1-NE 2.99Å; D697-R736 IonicContact OD1-NH2 2.7Å; D697-R736 PolarHBondContact OD1-NH2 2.03Å; D697-R736 IonicContact OD2-CZ 3.23Å; D697-R736 IonicContact OD2-NH2 2.74Å; D697-R736 PolarHBondContact OD2-NH2 3.36Å; M730-R736 CarbonylContact C-O 3.59Å; M730-R736 WeakPolarHBondContact CA-O 3.34Å; C731-R736 HydrophobicContact CB-CB 4.45Å; C731-R736 PolarHBondContact N-O 2.91Å; C731-R736 PolarHBondContact O-N 2.88Å; R734-R736 HydrophobicContact CB-CB 4.13Å; R734-R736 PolarHBondContact O-N 2.73Å; R736-L738 HydrophobicContact CG-CD1 4.36Å; R736-L738 HydrophobicContact CG-CD2 4.41Å; R736-L738 HydrophobicContact CG-CG 4.06Å
737	C	75.4	Confident	64.1	Low	0 Å²	0	53.5 Å²	53.5	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	141.1	170.9	-41	0	0	0	0	108.6	C684 E696 C699 C721 F729	C684-C737 HydrophobicContact CB-CB 4.47Å; C684-C737 VanDerWaalsContact CB-SG 3.58Å; E696-C737 PolarHBondContact O-N 3.43Å; E696-C737 WeakPolarHBondContact OE2-CB 3.34Å; C699-C737 WeakPolarHBondContact CB-SG 3.41Å; C699-C737 PolarHBondContact SG-SG 3.47Å; C721-C737 WeakPolarHBondContact CA-SG 3.3Å; C721-C737 HydrophobicContact CB-CB 3.73Å; C721-C737 WeakPolarHBondContact CB-SG 3.09Å; C721-C737 WeakPolarHBondContact SG-CB 3.27Å; C721-C737 CovalentContact SG-SG 2.02Å; C721-C737 PolarHBondContact SG-SG 3.41Å; F729-C737 WeakPolarHBondContact O-CA 3.35Å
738	L	72.1	Confident	64.3	Low	1 Å²	1	53.1 Å²	53.1	1%	0.005	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	139.4	-179.2	-75.4	173.8	0	0	0	107.9	F729 C731 R736 T743 F750	F729-L738 PolarHBondContact N-O 3.39Å; F729-L738 PolarHBondContact O-N 2.03Å; C731-L738 VanDerWaalsContact SG-CD1 3.57Å; R736-L738 HydrophobicContact CG-CD1 4.36Å; R736-L738 HydrophobicContact CG-CD2 4.41Å; R736-L738 HydrophobicContact CG-CG 4.06Å; L738-T743 HydrophobicContact CB-CG2 3.4Å; L738-T743 VanDerWaalsContact CB-CG2 3.4Å; L738-T743 HydrophobicContact CD1-CG2 4.19Å; L738-T743 HydrophobicContact CG-CG2 4.41Å; L738-F750 WeakPolarHBondContact CD1-O 3.48Å; L738-F750 HydrophobicContact CD2-CB 4.08Å
739	L	68.7	Low	64.1	Low	3 Å²	3	56 Å²	56	2%	0.016	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	146.1	172.3	-65.6	172.8	0	0	0	110.9	G686 E687 E726 P727 T728 R741 H742 T743	G686-L739 WeakPolarHBondContact O-CG 3.22Å; G686-L739 PolarHBondContact O-N 2.95Å; E687-L739 HydrophobicContact CG-CD1 3.77Å; E687-L739 HydrophobicContact CG-CG 4.36Å; E726-L739 HydrophobicContact CB-CD2 3.56Å; E726-L739 WeakPolarHBondContact OE2-CD1 3.05Å; P727-L739 WeakPolarHBondContact O-CA 3.06Å; T728-L739 HydrophobicContact CG2-CD2 3.91Å; L739-R741 HydrophobicContact CB-CG 3.98Å; L739-R741 PolarHBondContact O-N 3.27Å; L739-R741 VanDerWaalsContact O-N 3.1Å; L739-H742 WeakPolarHBondContact O-CA 2.9Å; L739-H742 VanDerWaalsContact O-CB 3.3Å; L739-H742 WeakPolarHBondContact O-CB 3.31Å; L739-H742 PolarHBondContact O-N 3.35Å; L739-T743 PolarHBondContact O-N 2.85Å
740	R	62.7	Low	64	Low	29 Å²	29	57.8 Å²	57.8	11%	0.109	26%	0.258	C	S	.	.	H	α-helix	trans	-57.2	-31.2	-176.9	-172.5	176	-179.6	-177	-3	114	V523 C524 P727 H742 T743 F762	V523-R740 PolarHBondContact O-NH1 3.33Å; V523-R740 PolarHBondContact O-NH2 3.37Å; C524-R740 PolarHBondContact O-NH1 3.31Å; P727-R740 HydrophobicContact CB-CB 4.32Å; P727-R740 HydrophobicContact CG-CB 4.17Å; P727-R740 PolarHBondContact O-N 3.41Å; R740-H742 PolarHBondContact O-N 3.19Å; R740-T743 PolarHBondContact O-OG1 2.85Å; R740-F762 PolarHBondContact NH2-O 2.58Å
741	R	61.6	Low	63.8	Low	128 Å²	128	58.8 Å²	58.8	48%	0.483	26%	0.263	S	S	.	.	H	α-helix	trans	-59.5	-26.2	173.2	69.1	-171.9	-175.3	-151.1	4.7	113.2	E687 E726 L739	E687-R741 IonicContact OE1-NH2 2.94Å; E687-R741 PolarHBondContact OE1-NH2 2.03Å; E726-R741 VanDerWaalsContact CD-NH1 3.29Å; E726-R741 IonicContact OE1-NH1 2.73Å; E726-R741 PolarHBondContact OE1-NH1 2.76Å; E726-R741 IonicContact OE2-CZ 3.09Å; E726-R741 IonicContact OE2-NH1 3.56Å; E726-R741 PolarHBondContact OE2-NH1 3.43Å; L739-R741 HydrophobicContact CB-CG 3.98Å; L739-R741 PolarHBondContact O-N 3.27Å; L739-R741 VanDerWaalsContact O-N 3.1Å
742	H	66.3	Low	63.6	Low	42 Å²	42	58.7 Å²	58.7	19%	0.194	26%	0.262	C	S	.	.	H	α-helix	trans	-94.7	-43.2	-176.9	-69.5	-39.1	0	0	0	112.8	L739 R740 C744 N745 F750	L739-H742 WeakPolarHBondContact O-CA 2.9Å; L739-H742 VanDerWaalsContact O-CB 3.3Å; L739-H742 WeakPolarHBondContact O-CB 3.31Å; L739-H742 PolarHBondContact O-N 3.35Å; R740-H742 PolarHBondContact O-N 3.19Å; H742-C744 VanDerWaalsContact C-N 3.29Å; H742-C744 PolarHBondContact O-N 3.21Å; H742-N745 PolarHBondContact O-N 2.94Å; H742-F750 CarbonylContact C-O 3.52Å; H742-F750 VanDerWaalsContact C-O 3.31Å; H742-F750 HydrophobicContact CB-CB 3.66Å; H742-F750 AromaticContact ND1-CD2 3.98Å; H742-F750 VanDerWaalsContact O-O 3.09Å
743	T	61	Low	63	Low	7 Å²	7	54.8 Å²	54.8	4%	0.043	25%	0.254	C	S	.	.	H	α-helix	trans	-61.2	-36.9	-177.1	52.3	0	0	0	0	113.5	F729 L738 L739 R740 H751	F729-T743 HydrophobicContact CB-CG2 3.86Å; F729-T743 HydrophobicContact CD1-CG2 3.73Å; F729-T743 HydrophobicContact CG-CG2 4.04Å; L738-T743 HydrophobicContact CB-CG2 3.4Å; L738-T743 VanDerWaalsContact CB-CG2 3.4Å; L738-T743 HydrophobicContact CD1-CG2 4.19Å; L738-T743 HydrophobicContact CG-CG2 4.41Å; L739-T743 PolarHBondContact O-N 2.85Å; R740-T743 PolarHBondContact O-OG1 2.85Å; T743-H751 PolarHBondContact O-CD2 2.57Å; T743-H751 PolarHBondContact O-NE2 2.88Å
744	C	56.9	Low	62.7	Low	15 Å²	15	50.2 Å²	50.2	10%	0.101	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-2.5	-173.1	-77.7	0	0	0	0	115.5	H742 C763	H742-C744 VanDerWaalsContact C-N 3.29Å; H742-C744 PolarHBondContact O-N 3.21Å; C744-C763 WeakPolarHBondContact CA-SG 3.19Å; C744-C763 HydrophobicContact CB-CB 3.4Å; C744-C763 WeakPolarHBondContact CB-SG 3.36Å; C744-C763 WeakPolarHBondContact SG-CA 3.46Å; C744-C763 WeakPolarHBondContact SG-CB 3.32Å; C744-C763 CovalentContact SG-SG 2.04Å; C744-C763 PolarHBondContact SG-SG 2.82Å
745	N	59.6	Low	62	Low	52 Å²	52	45 Å²	45	28%	0.278	23%	0.231	S	C	.	.			trans	-100	99.9	-180	178	-0.8	0	0	0	110	H742 K747 S748 L766	H742-N745 PolarHBondContact O-N 2.94Å; N745-K747 PolarHBondContact O-N 3.26Å; N745-K747 WeakPolarHBondContact OD1-CA 3.13Å; N745-K747 WeakPolarHBondContact OD1-CB 3.27Å; N745-K747 PolarHBondContact OD1-N 3.18Å; N745-S748 WeakPolarHBondContact O-CA 3.02Å; N745-S748 WeakPolarHBondContact O-CB 3.33Å; N745-S748 PolarHBondContact O-N 2.89Å; N745-S748 PolarHBondContact OD1-N 3.37Å; N745-L766 HydrophobicContact CB-CD2 4.3Å
746	Q	58.8	Low	60.8	Low	112 Å²	112	41.5 Å²	41.5	52%	0.523	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-18.2	178	-69.7	179.7	-8.7	0	0	114.3	H751 E760 L766	Q746-H751 WeakPolarHBondContact CG-NE2 3.35Å; Q746-E760 PolarHBondContact NE2-OE1 3.22Å; Q746-L766 HydrophobicContact CB-CD1 4.37Å
747	K	57	Low	59.7	Low	130 Å²	130	45 Å²	45	57%	0.565	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-10	173.7	-56	-178.2	-175.9	-179.9	0	112.8	N745 D768	N745-K747 PolarHBondContact O-N 3.26Å; N745-K747 WeakPolarHBondContact OD1-CA 3.13Å; N745-K747 WeakPolarHBondContact OD1-CB 3.27Å; N745-K747 PolarHBondContact OD1-N 3.18Å; K747-D768 WeakPolarHBondContact CE-OD2 3Å; K747-D768 IonicContact NZ-OD1 3.76Å; K747-D768 PolarHBondContact NZ-OD1 2.63Å; K747-D768 IonicContact NZ-OD2 2.69Å; K747-D768 PolarHBondContact NZ-OD2 2.76Å
748	S	58.6	Low	58.3	Low	14 Å²	14	48.1 Å²	48.1	10%	0.098	26%	0.261	C	S	.	.	S	Bend	trans	-72.9	134.3	176.3	-174.2	0	0	0	0	110.5	N745 F750 H751	N745-S748 WeakPolarHBondContact O-CA 3.02Å; N745-S748 WeakPolarHBondContact O-CB 3.33Å; N745-S748 PolarHBondContact O-N 2.89Å; N745-S748 PolarHBondContact OD1-N 3.37Å; S748-F750 PolarHBondContact O-N 3.13Å; S748-F750 WeakPolarHBondContact OG-CA 3.47Å; S748-F750 VanDerWaalsContact OG-CB 3.26Å; S748-F750 WeakPolarHBondContact OG-CB 3.33Å; S748-F750 WeakPolarHBondContact OG-CD2 3.46Å; S748-F750 PolarHBondContact OG-N 3.43Å; S748-H751 WeakPolarHBondContact O-CB 3.48Å; S748-H751 PolarHBondContact O-N 3.07Å
749	P	58.3	Low	57.2	Low	67 Å²	67	48.6 Å²	48.6	44%	0.435	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-18.4	165.4	28.1	-32.7	0	0	0	111.6	V273	V273-P749 HydrophobicContact CG2-CG 4.5Å
750	F	62.6	Low	56.3	Low	50 Å²	50	53 Å²	53	22%	0.219	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92	24.2	176.6	-43.9	-82.3	0	0	0	113.3	V688 Y693 L738 H742 S748	V688-F750 HydrophobicContact CB-CD1 4.48Å; V688-F750 HydrophobicContact CB-CE1 3.86Å; V688-F750 HydrophobicContact CG1-CE1 4.24Å; V688-F750 HydrophobicContact CG2-CD1 3.69Å; V688-F750 HydrophobicContact CG2-CE1 3.57Å; Y693-F750 HydrophobicContact CD1-CD1 4.34Å; Y693-F750 HydrophobicContact CD1-CE1 4.42Å; Y693-F750 AromaticContact CE1-CD1 3.49Å; Y693-F750 HydrophobicContact CE1-CD1 3.49Å; Y693-F750 VanDerWaalsContact CE1-CD1 3.49Å; Y693-F750 AromaticContact CE1-CE1 3.47Å; Y693-F750 HydrophobicContact CE1-CE1 3.47Å; Y693-F750 VanDerWaalsContact CE1-CE1 3.47Å; Y693-F750 AromaticContact CZ-CE1 3.89Å; L738-F750 WeakPolarHBondContact CD1-O 3.48Å; L738-F750 HydrophobicContact CD2-CB 4.08Å; H742-F750 CarbonylContact C-O 3.52Å; H742-F750 VanDerWaalsContact C-O 3.31Å; H742-F750 HydrophobicContact CB-CB 3.66Å; H742-F750 AromaticContact ND1-CD2 3.98Å; H742-F750 VanDerWaalsContact O-O 3.09Å; S748-F750 PolarHBondContact O-N 3.13Å; S748-F750 WeakPolarHBondContact OG-CA 3.47Å; S748-F750 VanDerWaalsContact OG-CB 3.26Å; S748-F750 WeakPolarHBondContact OG-CB 3.33Å; S748-F750 WeakPolarHBondContact OG-CD2 3.46Å; S748-F750 PolarHBondContact OG-N 3.43Å
751	H	63.7	Low	55.6	Low	42 Å²	42	56 Å²	56	19%	0.194	30%	0.301	C	S	.	.	S	Bend	trans	-77.3	149.7	174.1	-176.4	-96.1	0	0	0	111.5	T743 Q746 S748 P753	T743-H751 PolarHBondContact O-CD2 2.57Å; T743-H751 PolarHBondContact O-NE2 2.88Å; Q746-H751 WeakPolarHBondContact CG-NE2 3.35Å; S748-H751 WeakPolarHBondContact O-CB 3.48Å; S748-H751 PolarHBondContact O-N 3.07Å; H751-P753 WeakPolarHBondContact O-CD 3.4Å
752	C	61.7	Low	54.9	Low	4 Å²	4	52 Å²	52	3%	0.027	29%	0.287	C	S	.	.			trans	-71.6	107.3	169.5	-66.1	0	0	0	0	110.3	C731 G754 A755	C731-C752 VanDerWaalsContact CA-SG 3.57Å; C731-C752 HydrophobicContact CB-CB 3.78Å; C731-C752 WeakPolarHBondContact CB-SG 3.07Å; C731-C752 WeakPolarHBondContact SG-CA 3.38Å; C731-C752 WeakPolarHBondContact SG-CB 3.21Å; C731-C752 CovalentContact SG-SG 2.04Å; C731-C752 PolarHBondContact SG-SG 2.88Å; C752-G754 PolarHBondContact O-N 3.24Å; C752-A755 HydrophobicContact CB-CB 4.36Å; C752-A755 PolarHBondContact O-N 3.13Å
753	P	52.1	Low	54	Low	51 Å²	51	51.6 Å²	51.6	33%	0.331	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	138.7	175.1	29.4	-31.3	0	0	0	109.2	R734 H751 A755	R734-P753 HydrophobicContact CG-CG 4.27Å; R734-P753 VanDerWaalsContact NE-CG 3.27Å; H751-P753 WeakPolarHBondContact O-CD 3.4Å; P753-A755 VanDerWaalsContact C-N 3.3Å; P753-A755 PolarHBondContact O-N 2.65Å
754	G	50.3	Low	53.1	Low	51 Å²	51	54.5 Å²	54.5	53%	0.526	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.1	18.9	-178.4	0	0	0	0	0	114.8	C752 A756	C752-G754 PolarHBondContact O-N 3.24Å; G754-A756 PolarHBondContact O-N 3.41Å; G754-A756 VanDerWaalsContact O-N 3.1Å
755	A	47.9	Very low	52.4	Low	23 Å²	23	59.7 Å²	59.7	19%	0.19	34%	0.341	C	S	.	.			trans	-40.6	118.3	176.6	0	0	0	0	0	111.2	C752 P753 D759 E760	C752-A755 HydrophobicContact CB-CB 4.36Å; C752-A755 PolarHBondContact O-N 3.13Å; P753-A755 VanDerWaalsContact C-N 3.3Å; P753-A755 PolarHBondContact O-N 2.65Å; A755-D759 HydrophobicContact CB-CB 4.15Å; A755-E760 HydrophobicContact CB-CG 4.11Å
756	A	48.5	Very low	51.3	Low	23 Å²	23	60.6 Å²	60.6	19%	0.19	35%	0.346	C	S	.	.			trans	-64.3	158.6	178.8	0	0	0	0	0	109.1	G754 E758 D759 E760	G754-A756 PolarHBondContact O-N 3.41Å; G754-A756 VanDerWaalsContact O-N 3.1Å; A756-E758 PolarHBondContact O-N 3.22Å; A756-D759 PolarHBondContact N-OD2 2.03Å; A756-D759 VanDerWaalsContact N-OD2 3.07Å; A756-D759 WeakPolarHBondContact O-CA 2.97Å; A756-D759 WeakPolarHBondContact O-CB 3.41Å; A756-D759 PolarHBondContact O-N 3.49Å; A756-E760 PolarHBondContact O-N 2.9Å; A756-E760 VanDerWaalsContact O-N 3.17Å
757	P	49.2	Very low	49.9	Very low	101 Å²	101	66.5 Å²	66.5	66%	0.656	36%	0.363	S	S	*	.	H	α-helix	trans	-54.2	-26.7	173.3	-25.8	35.2	0	0	0	112.9	M761	P757-M761 WeakPolarHBondContact O-CB 3.29Å; P757-M761 PolarHBondContact O-N 3.5Å
758	E	47	Very low	48.8	Very low	65 Å²	65	62 Å²	62	30%	0.304	35%	0.346	S	S	.	.	H	α-helix	trans	-68.2	-31.2	172.3	-50.7	101.6	-109.8	0	0	114.3	R732 A756 F762	R732-E758 IonicContact CZ-OE2 3.54Å; R732-E758 IonicContact NH1-OE2 2.76Å; R732-E758 PolarHBondContact NH1-OE2 3.4Å; A756-E758 PolarHBondContact O-N 3.22Å; E758-F762 WeakPolarHBondContact O-CD2 3.46Å
759	D	48.4	Very low	47.4	Very low	12 Å²	12	66.7 Å²	66.7	6%	0.064	38%	0.376	C	S	.	.	H	α-helix	trans	-81.5	-39.7	-179	-57.7	-32	0	0	0	110.5	F729 A755 A756 M761	F729-D759 HydrophobicContact CE1-CB 4.42Å; F729-D759 HydrophobicContact CZ-CB 3.87Å; A755-D759 HydrophobicContact CB-CB 4.15Å; A756-D759 PolarHBondContact N-OD2 2.03Å; A756-D759 VanDerWaalsContact N-OD2 3.07Å; A756-D759 WeakPolarHBondContact O-CA 2.97Å; A756-D759 WeakPolarHBondContact O-CB 3.41Å; A756-D759 PolarHBondContact O-N 3.49Å; D759-M761 VanDerWaalsContact C-N 3.3Å; D759-M761 PolarHBondContact O-N 2.98Å
760	E	50.9	Low	46.1	Very low	94 Å²	94	67.8 Å²	67.8	44%	0.439	38%	0.377	S	S	.	.	H	α-helix	trans	-66.6	-27.4	175.6	-69.7	-162.8	139.4	0	0	113.2	Q746 A755 A756 F762 C763	Q746-E760 PolarHBondContact NE2-OE1 3.22Å; A755-E760 HydrophobicContact CB-CG 4.11Å; A756-E760 PolarHBondContact O-N 2.9Å; A756-E760 VanDerWaalsContact O-N 3.17Å; E760-F762 PolarHBondContact O-N 3.27Å; E760-F762 VanDerWaalsContact O-N 3.16Å; E760-C763 VanDerWaalsContact O-CB 3.32Å; E760-C763 WeakPolarHBondContact O-CB 3.21Å; E760-C763 PolarHBondContact O-N 2.85Å; E760-C763 VanDerWaalsContact O-N 3.12Å
761	M	46.5	Very low	44.7	Very low	92 Å²	92	72.3 Å²	72.3	45%	0.453	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-21.9	-174.4	-177.3	167.9	57.6	0	0	114.5	L334 P757 D759	L334-M761 HydrophobicContact CD1-CE 4.07Å; L334-M761 HydrophobicContact CD2-CE 3.75Å; L334-M761 HydrophobicContact CD2-SD 4.17Å; L334-M761 HydrophobicContact CG-CE 4.17Å; P757-M761 WeakPolarHBondContact O-CB 3.29Å; P757-M761 PolarHBondContact O-N 3.5Å; D759-M761 VanDerWaalsContact C-N 3.3Å; D759-M761 PolarHBondContact O-N 2.98Å
762	F	47.4	Very low	43.1	Very low	44 Å²	44	71.7 Å²	71.7	19%	0.193	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	3.7	-179.9	-62.6	-89	0	0	0	113.1	L334 P540 R740 E758 E760	L334-F762 HydrophobicContact CD2-CZ 3.98Å; P540-F762 HydrophobicContact CB-CE2 4.41Å; P540-F762 HydrophobicContact CG-CD1 4.45Å; P540-F762 HydrophobicContact CG-CD2 3.48Å; P540-F762 VanDerWaalsContact CG-CD2 3.48Å; P540-F762 HydrophobicContact CG-CE1 4.18Å; P540-F762 HydrophobicContact CG-CE2 3.15Å; P540-F762 HydrophobicContact CG-CG 4.13Å; P540-F762 HydrophobicContact CG-CZ 3.53Å; R740-F762 PolarHBondContact NH2-O 2.58Å; E758-F762 WeakPolarHBondContact O-CD2 3.46Å; E760-F762 PolarHBondContact O-N 3.27Å; E760-F762 VanDerWaalsContact O-N 3.16Å
763	C	48.5	Very low	41.7	Very low	34 Å²	34	77.2 Å²	77.2	23%	0.23	43%	0.426	C	S	.	.	S	Bend	trans	-75.4	128.1	174.3	-63.9	0	0	0	0	110.1	C744 E760	C744-C763 WeakPolarHBondContact CA-SG 3.19Å; C744-C763 HydrophobicContact CB-CB 3.4Å; C744-C763 WeakPolarHBondContact CB-SG 3.36Å; C744-C763 WeakPolarHBondContact SG-CA 3.46Å; C744-C763 WeakPolarHBondContact SG-CB 3.32Å; C744-C763 CovalentContact SG-SG 2.04Å; C744-C763 PolarHBondContact SG-SG 2.82Å; E760-C763 VanDerWaalsContact O-CB 3.32Å; E760-C763 WeakPolarHBondContact O-CB 3.21Å; E760-C763 PolarHBondContact O-N 2.85Å; E760-C763 VanDerWaalsContact O-N 3.12Å
764	P	41.9	Very low	40.8	Very low	69 Å²	69	81.6 Å²	81.6	45%	0.448	45%	0.447	S	S	.	.	P	Polyproline II helix	trans	-56.6	137.5	167.2	26.5	-32.7	0	0	0	107.4	L766	P764-L766 PolarHBondContact O-N 3.46Å
765	P	40.8	Very low	39.9	Very low	123 Å²	123	86.7 Å²	86.7	80%	0.799	46%	0.457	S	S	*	.	P	Polyproline II helix	trans	-55.6	119	178.2	23.2	-32.7	0	0	0	107.8	W767	P765-W767 PolarHBondContact O-N 2.84Å
766	L	37.7	Very low	39	Very low	72 Å²	72	91.6 Å²	91.6	38%	0.377	50%	0.498	S	S	.	.			trans	-53.6	107.9	-179.4	-89.1	164.4	0	0	0	108.4	N745 Q746 P764 D768	N745-L766 HydrophobicContact CB-CD2 4.3Å; Q746-L766 HydrophobicContact CB-CD1 4.37Å; P764-L766 PolarHBondContact O-N 3.46Å; L766-D768 PolarHBondContact O-N 2.83Å
767	W	29.1	Very low	38.5	Very low	235 Å²	235	95.1 Å²	95.1	89%	0.89	51%	0.513	S	S	*	.			trans	-72.6	84.7	170.9	-144.5	28.4	0	0	0	105.7	P765 P769	P765-W767 PolarHBondContact O-N 2.84Å; W767-P769 VanDerWaalsContact O-CD 3.26Å; W767-P769 WeakPolarHBondContact O-CD 3.31Å
768	D	32.8	Very low	38	Very low	36 Å²	36	94.7 Å²	94.7	19%	0.193	51%	0.506	C	S	.	.			trans	-88.7	105	-180	-172.4	-1.7	0	0	0	108.2	K747 L766 L770 R771	K747-D768 WeakPolarHBondContact CE-OD2 3Å; K747-D768 IonicContact NZ-OD1 3.76Å; K747-D768 PolarHBondContact NZ-OD1 2.63Å; K747-D768 IonicContact NZ-OD2 2.69Å; K747-D768 PolarHBondContact NZ-OD2 2.76Å; L766-D768 PolarHBondContact O-N 2.83Å; D768-L770 PolarHBondContact O-N 3.33Å; D768-L770 WeakPolarHBondContact OD1-CB 3.35Å; D768-L770 PolarHBondContact OD1-N 3.09Å; D768-L770 VanDerWaalsContact OD1-N 3.08Å; D768-R771 HydrophobicContact CB-CB 4.17Å; D768-R771 HydrophobicContact CB-CG 3.93Å; D768-R771 PolarHBondContact O-N 2.91Å
769	P	30.3	Very low	37.5	Very low	112 Å²	112	96.4 Å²	96.4	73%	0.727	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-17.5	179.6	-18.5	33.4	0	0	0	111.7	W767	W767-P769 VanDerWaalsContact O-CD 3.26Å; W767-P769 WeakPolarHBondContact O-CD 3.31Å
770	L	30.3	Very low	36.8	Very low	91 Å²	91	101.4 Å²	101.4	48%	0.476	54%	0.544	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-10.1	-178.8	-51	-179.6	0	0	0	113.8	D768 G772 L773 N774	D768-L770 PolarHBondContact O-N 3.33Å; D768-L770 WeakPolarHBondContact OD1-CB 3.35Å; D768-L770 PolarHBondContact OD1-N 3.09Å; D768-L770 VanDerWaalsContact OD1-N 3.08Å; L770-G772 VanDerWaalsContact C-N 3.27Å; L770-G772 PolarHBondContact O-N 3.09Å; L770-L773 HydrophobicContact CD2-CD1 3.75Å; L770-L773 PolarHBondContact O-N 3.29Å; L770-N774 PolarHBondContact O-N 3.3Å
771	R	33.8	Very low	35.9	Very low	145 Å²	145	101.8 Å²	101.8	55%	0.547	55%	0.55	S	S	.	*	H	α-helix	trans	-63.4	-37.7	170.5	-90.9	-171.6	-169.4	-155.7	4.6	111.1	D768 L773 N774 E775	D768-R771 HydrophobicContact CB-CB 4.17Å; D768-R771 HydrophobicContact CB-CG 3.93Å; D768-R771 PolarHBondContact O-N 2.91Å; R771-L773 PolarHBondContact O-N 3.08Å; R771-L773 VanDerWaalsContact O-N 3.17Å; R771-N774 PolarHBondContact O-N 2.76Å; R771-E775 PolarHBondContact O-N 3.06Å
772	G	30.8	Very low	35.2	Very low	29 Å²	29	102.5 Å²	102.5	30%	0.299	56%	0.557	S	S	.	*	H	α-helix	trans	-66.7	-8.6	172.7	0	0	0	0	0	115.4	L770 A776	L770-G772 VanDerWaalsContact C-N 3.27Å; L770-G772 PolarHBondContact O-N 3.09Å; G772-A776 WeakPolarHBondContact O-CB 2.98Å
773	L	32.1	Very low	34.4	Very low	119 Å²	119	106.6 Å²	106.6	62%	0.623	58%	0.583	S	S	*	*	H	α-helix	trans	-110.1	-14.5	-178.4	-77.8	161.4	0	0	0	114	L770 R771	L770-L773 HydrophobicContact CD2-CD1 3.75Å; L770-L773 PolarHBondContact O-N 3.29Å; R771-L773 PolarHBondContact O-N 3.08Å; R771-L773 VanDerWaalsContact O-N 3.17Å
774	N	32.4	Very low	33.3	Very low	143 Å²	143	112.2 Å²	112.2	77%	0.765	61%	0.61	S	S	*	*	H	α-helix	trans	-104.7	-7.1	174.6	-71.1	-26.9	0	0	0	113.2	L770 R771	L770-N774 PolarHBondContact O-N 3.3Å; R771-N774 PolarHBondContact O-N 2.76Å
775	E	32.5	Very low	32.6	Very low	159 Å²	159	115.8 Å²	115.8	74%	0.743	62%	0.623	S	S	*	*			trans	-115.3	18.2	176.3	-62.1	-175.6	151.6	0	0	112.7	R771	R771-E775 PolarHBondContact O-N 3.06Å
776	A	28.5	Very low	31.8	Very low	126 Å²	126	115.2 Å²	115.2	100%	1.041	61%	0.607	S	S	*	*			trans	-138	0	179.6	0	0	0	0	0	112.4	G772	G772-A776 WeakPolarHBondContact O-CB 2.98Å

Retrieved 776 of 776 residues in 220 ms (Link to these results)

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