A0A087YKL4_POEFO Loading...

Striatin-3

Calmodulin-binding scaffolding protein which is the center of the striatin-interacting phosphatase and kinase (STRIPAK) complexes. STRIPAK complexes have critical roles in protein (de)phosphorylation and are regulators of multiple signaling pathways including Hippo, MAPK, nuclear receptor and cytoskeleton remodeling. Different types of STRIPAK complexes are involved in a variety of biological processes such as cell growth, differentiation, apoptosis, metabolism and immune regulation.

AlphaFold DB , UniProt , Accession A0A087YKL4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 705 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.3	Very low	35.6	Very low	238 Å²	238	127.7 Å²	127.7	100%	1.172	88%	0.877	S	S	*	*				0	137.6	0	-79.8	175.2	169.5	0	0	106.7
2	D	34.8	Very low	35.1	Very low	152 Å²	152	123.5 Å²	123.5	81%	0.813	87%	0.87	S	S	*	*			trans	-73.6	176.4	-172.4	-48.9	-92.9	0	0	0	109.3
3	E	35.9	Very low	34.7	Very low	190 Å²	190	122 Å²	122	89%	0.888	87%	0.869	S	S	*	*			cis	-161	169.7	33.7	-155	158.7	-153.4	0	0	113
4	H	40.6	Very low	34.4	Very low	179 Å²	179	120.2 Å²	120.2	83%	0.829	87%	0.865	S	S	*	*			trans	-79.1	-175.3	172.8	-89	-53.4	0	0	0	111.8
5	P	55.6	Low	34.2	Very low	129 Å²	129	118.5 Å²	118.5	84%	0.838	86%	0.859	S	S	*	*			cis	-127.1	-167.1	4.8	33.8	-11.1	0	0	0	113.3
6	G	32.2	Very low	34.7	Very low	70 Å²	70	119.3 Å²	119.3	72%	0.722	86%	0.858	S	S	*	*			cis	151.6	156.2	-11.2	0	0	0	0	0	113.4
7	G	32	Very low	34.4	Very low	87 Å²	87	126.8 Å²	126.8	90%	0.897	86%	0.863	S	S	*	*			trans	73.5	143.7	172.3	0	0	0	0	0	116.3
8	G	31.4	Very low	34.6	Very low	82 Å²	82	130.3 Å²	130.3	85%	0.845	86%	0.864	S	S	*	*			cis	108.4	138	19.6	0	0	0	0	0	110.6
9	A	32.7	Very low	34.8	Very low	108 Å²	108	129.6 Å²	129.6	89%	0.893	86%	0.859	S	S	*	*			cis	-164.7	169	-6	0	0	0	0	0	111
10	G	30.6	Very low	35.3	Very low	83 Å²	83	129.3 Å²	129.3	86%	0.856	86%	0.856	S	S	*	*			trans	88.1	147.9	175.2	0	0	0	0	0	114.8
11	G	30.8	Very low	35.4	Very low	87 Å²	87	128.4 Å²	128.4	90%	0.897	85%	0.852	S	S	*	*			cis	122.1	119.8	2	0	0	0	0	0	111.5
12	G	29.1	Very low	35.7	Very low	77 Å²	77	122.8 Å²	122.8	79%	0.794	83%	0.833	S	S	*	*			cis	-176.6	-142.4	-0.3	0	0	0	0	0	111.4
13	A	30.3	Very low	35.4	Very low	104 Å²	104	123.4 Å²	123.4	86%	0.86	83%	0.831	S	S	*	*			trans	91.1	121.5	169.1	0	0	0	0	0	121
14	A	30.2	Very low	35.2	Very low	97 Å²	97	120.7 Å²	120.7	80%	0.802	82%	0.818	S	S	*	*			trans	73.7	122.4	138	0	0	0	0	0	123.9
15	A	32.2	Very low	34.8	Very low	95 Å²	95	120.7 Å²	120.7	79%	0.785	82%	0.819	S	S	*	*			trans	67.7	119.9	142.6	0	0	0	0	0	121.5
16	P	42	Very low	33.5	Very low	130 Å²	130	122 Å²	122	84%	0.844	81%	0.813	S	S	*	*			trans	-94.4	156	163.6	36.6	-32	0	0	0	113.5
17	R	29.7	Very low	33.4	Very low	248 Å²	248	127.8 Å²	127.8	94%	0.936	82%	0.822	S	S	*	*			trans	-130.3	162.1	162.7	-98.2	-172.8	170.9	-165.2	-2.5	109.6
18	Q	37.1	Very low	33.3	Very low	189 Å²	189	127 Å²	127	88%	0.883	81%	0.813	S	S	*	*			trans	-60.1	157	176.1	-63.6	169.7	-27	0	0	113.1
19	P	39.4	Very low	33.1	Very low	118 Å²	118	128.7 Å²	128.7	77%	0.766	81%	0.812	S	S	*	*				-136.5	165.4	127.7	38.2	-27.7	0	0	0	114.2
20	P	45.3	Very low	32.9	Very low	123 Å²	123	128.6 Å²	128.6	80%	0.799	81%	0.805	S	S	*	*			trans	-100	-168.7	-177	40.6	-37.1	0	0	0	115
21	S	36.2	Very low	32.8	Very low	110 Å²	110	129.2 Å²	129.2	77%	0.769	80%	0.796	S	S	*	*			trans	-65	169.3	-174.6	55.5	0	0	0	0	117.1
22	P	42.6	Very low	32.7	Very low	120 Å²	120	131 Å²	131	78%	0.779	80%	0.795	S	S	*	*				-140.8	165.5	128.8	41	-29.8	0	0	0	115.5
23	Q	28.8	Very low	32.6	Very low	165 Å²	165	131.4 Å²	131.4	77%	0.771	80%	0.799	S	S	*	*			trans	-76.5	-169.7	157.4	-55.3	176	-6.2	0	0	108.8
24	Q	31	Very low	32.4	Very low	133 Å²	133	129.8 Å²	129.8	62%	0.621	79%	0.792	S	S	*	*			cis	-172.7	158.6	12.7	-154	-177.4	78.6	0	0	107
25	H	31.1	Very low	33.4	Very low	180 Å²	180	131.2 Å²	131.2	83%	0.833	79%	0.794	S	S	*	*			trans	-167.7	157.3	141.5	-115.1	68.4	0	0	0	114.4
26	Q	29.1	Very low	33.8	Very low	156 Å²	156	131.7 Å²	131.7	73%	0.729	79%	0.789	S	S	*	*			trans	-120	156.9	-178	-59.4	174.8	-9.1	0	0	112
27	Q	31	Very low	33.2	Very low	192 Å²	192	133.6 Å²	133.6	90%	0.897	79%	0.79	S	S	*	*			trans	166	139.4	137.7	-91.3	160.6	46.8	0	0	109.3
28	G	28.6	Very low	33	Very low	69 Å²	69	125.5 Å²	125.5	71%	0.711	78%	0.784	S	S	*	*			cis	-174.4	-177.2	-3.8	0	0	0	0	0	113.4
29	S	28.7	Very low	32.6	Very low	118 Å²	118	121.1 Å²	121.1	83%	0.825	78%	0.78	S	S	*	*			trans	-31.7	159.7	166.8	52	0	0	0	0	117.8
30	S	27.6	Very low	32	Very low	107 Å²	107	122 Å²	122	75%	0.748	78%	0.783	S	S	*	*			cis	-176.1	169.6	-10.5	57.5	0	0	0	0	105.9
31	S	28.3	Very low	31.2	Very low	96 Å²	96	124.6 Å²	124.6	67%	0.671	79%	0.786	S	S	*	*			cis	170.1	166.1	45.3	45.7	0	0	0	0	109.5
32	S	28.2	Very low	31.2	Very low	123 Å²	123	125.2 Å²	125.2	86%	0.86	79%	0.785	S	S	*	*			trans	65.6	141.1	156	74	0	0	0	0	121.5
33	G	27.5	Very low	30.8	Very low	86 Å²	86	124.8 Å²	124.8	89%	0.887	78%	0.783	S	S	*	*			trans	125.6	108	152.5	0	0	0	0	0	118.1
34	G	26	Very low	30.8	Very low	70 Å²	70	124.1 Å²	124.1	72%	0.722	78%	0.779	S	S	*	*			trans	-161.4	-176.7	158.2	0	0	0	0	0	108.1
35	P	50.5	Low	31	Very low	128 Å²	128	125.3 Å²	125.3	83%	0.831	79%	0.785	S	S	*	*			cis	-96.6	-145	-14.2	40.4	-28.7	0	0	0	108.7
36	P	40.4	Very low	30.8	Very low	104 Å²	104	124 Å²	124	68%	0.675	78%	0.784	S	S	*	*			cis	-137.6	176.3	-8.2	42.3	-23.4	0	0	0	117.9
37	I	30.4	Very low	30.9	Very low	171 Å²	171	124.8 Å²	124.8	88%	0.877	79%	0.788	S	S	*	*			trans	21.2	119.4	141.3	-52.8	165.5	0	0	0	118
38	G	26.3	Very low	31.5	Very low	78 Å²	78	123.2 Å²	123.2	80%	0.804	79%	0.786	S	S	*	*			trans	-162.4	107.9	168.4	0	0	0	0	0	114.9
39	A	27.7	Very low	31.8	Very low	97 Å²	97	127.8 Å²	127.8	80%	0.802	79%	0.793	S	S	*	*			trans	-10.2	140.2	173	0	0	0	0	0	121.7
40	V	27.8	Very low	32.5	Very low	136 Å²	136	127.7 Å²	127.7	82%	0.824	79%	0.789	S	S	*	*			trans	-69	134.4	162.4	176	0	0	0	0	111	V42	V40-V42 HydrophobicContact CG1-CG2 4.22Å
41	M	27	Very low	33.2	Very low	177 Å²	177	133.7 Å²	133.7	87%	0.872	80%	0.796	S	S	*	*			trans	-131.2	134.8	158	-78.9	-170.6	67.7	0	0	110.1
42	V	35.8	Very low	33.9	Very low	123 Å²	123	134.9 Å²	134.9	75%	0.745	80%	0.801	S	S	*	*			trans	-107.9	130.2	174.6	180	0	0	0	0	109.1	V40	V40-V42 HydrophobicContact CG1-CG2 4.22Å
43	P	35	Very low	35	Very low	112 Å²	112	137.6 Å²	137.6	73%	0.727	80%	0.8	S	S	*	*				-130.4	118.5	128.4	24	-7.4	0	0	0	109.7
44	Q	28	Very low	36.4	Very low	150 Å²	150	140.8 Å²	140.8	70%	0.701	79%	0.792	S	S	*	*				82.2	104.9	74.8	-174.4	177.5	-0.2	0	0	113
45	Q	37	Very low	38	Very low	159 Å²	159	146.1 Å²	146.1	74%	0.743	80%	0.798	S	S	*	*			trans	51.8	119	152.5	-63.2	169.3	-48.7	0	0	119.4
46	N	26.6	Very low	38.7	Very low	152 Å²	152	148.7 Å²	148.7	81%	0.813	79%	0.792	S	S	*	*				-164	146	115.5	-110.9	4.5	0	0	0	115.5
47	E	31.7	Very low	40.8	Very low	172 Å²	172	148 Å²	148	80%	0.804	79%	0.786	S	S	*	*			trans	56.9	140.5	154.2	-59	-163.5	141.3	0	0	123.4
48	D	42.3	Very low	43.1	Very low	160 Å²	160	146 Å²	146	86%	0.856	78%	0.776	S	S	*	*			trans	-66.2	139.8	169.6	-58.7	-94.2	0	0	0	112.8
49	L	36	Very low	45.9	Very low	165 Å²	165	146.9 Å²	146.9	86%	0.864	77%	0.767	S	S	*	*			trans	-131.4	124.1	163.2	-80.7	169.7	0	0	0	109.8
50	P	43.5	Very low	48.6	Very low	116 Å²	116	144 Å²	144	75%	0.753	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-67.5	144.4	173.7	28.9	-33.4	0	0	0	110.2
51	R	41.5	Very low	51.4	Low	233 Å²	233	140.9 Å²	140.9	88%	0.879	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-56.6	134.7	175.6	-67.1	-178.8	178.3	-178.2	-0.9	109.7	H53	R51-H53 PolarHBondContact O-N 3.42Å
52	P	43.3	Very low	54.3	Low	121 Å²	121	137 Å²	137	79%	0.786	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-63.9	127.7	177.7	26.6	-33.8	0	0	0	109.9	Q54	P52-Q54 PolarHBondContact O-N 3.48Å; P52-Q54 VanDerWaalsContact O-N 3.15Å
53	H	51.1	Low	56.6	Low	180 Å²	180	137.5 Å²	137.5	83%	0.833	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-60	118.3	171.7	-66.8	-83.4	0	0	0	109.1	R51 Q55	R51-H53 PolarHBondContact O-N 3.42Å; H53-Q55 PolarHBondContact O-N 2.98Å
54	Q	57.1	Low	59.1	Low	153 Å²	153	138.8 Å²	138.8	72%	0.715	69%	0.693	S	S	*	*			trans	-64.2	109	172.5	-74.7	175	-42	0	0	108.5	P52 Y56	P52-Q54 PolarHBondContact O-N 3.48Å; P52-Q54 VanDerWaalsContact O-N 3.15Å; Q54-Y56 WeakPolarHBondContact O-CD2 3.21Å; Q54-Y56 PolarHBondContact O-N 2.58Å
55	Q	58.9	Low	62.1	Low	182 Å²	182	136.4 Å²	136.4	85%	0.85	68%	0.684	S	S	*	*			trans	-72.5	93.9	175.6	-72.7	-174.8	-22.6	0	0	109.1	H53 T57	H53-Q55 PolarHBondContact O-N 2.98Å; Q55-T57 PolarHBondContact O-N 3.2Å
56	Y	65.4	Low	64.5	Low	181 Å²	181	135 Å²	135	71%	0.71	68%	0.677	S	S	*	*			trans	-59	107	172.9	-63.2	-81.6	0	0	0	110	Q54	Q54-Y56 WeakPolarHBondContact O-CD2 3.21Å; Q54-Y56 PolarHBondContact O-N 2.58Å
57	T	84.5	Confident	67.6	Low	90 Å²	90	133 Å²	133	55%	0.552	66%	0.663	S	S	*	*			trans	-79.7	143.4	173.4	63.9	0	0	0	0	109.5	Q55 P59 G60 I61	Q55-T57 PolarHBondContact O-N 3.2Å; T57-P59 VanDerWaalsContact C-N 3.32Å; T57-G60 WeakPolarHBondContact O-CA 3.24Å; T57-G60 PolarHBondContact O-N 2.94Å; T57-I61 WeakPolarHBondContact O-CG1 3.21Å; T57-I61 PolarHBondContact O-N 2.97Å
58	I	77.9	Confident	70.6	Confident	128 Å²	128	127.8 Å²	127.8	66%	0.656	64%	0.639	S	S	*	*	H	α-helix	trans	-52.9	-42.6	-178.3	-63.5	172.1	0	0	0	112.5	G60 I61 L62	I58-G60 VanDerWaalsContact C-N 3.34Å; I58-G60 PolarHBondContact O-N 3.12Å; I58-I61 PolarHBondContact O-N 3.28Å; I58-L62 HydrophobicContact CG2-CD1 3.95Å; I58-L62 HydrophobicContact CG2-CG 4.44Å; I58-L62 WeakPolarHBondContact O-CG 3.39Å; I58-L62 PolarHBondContact O-N 2.82Å
59	P	86.4	Confident	72.8	Confident	97 Å²	97	128 Å²	128	63%	0.63	63%	0.628	S	S	*	*	H	α-helix	trans	-62.1	-35.9	173.5	-24.2	36	0	0	0	114.1	T57 H63	T57-P59 VanDerWaalsContact C-N 3.32Å; P59-H63 WeakPolarHBondContact O-CB 3.15Å; P59-H63 PolarHBondContact O-N 2.68Å
60	G	83.8	Confident	75.4	Confident	38 Å²	38	122.2 Å²	122.2	39%	0.392	60%	0.604	S	S	.	*	H	α-helix	trans	-68.8	-39.8	176	0	0	0	0	0	112.8	T57 I58 H63 Y64	T57-G60 WeakPolarHBondContact O-CA 3.24Å; T57-G60 PolarHBondContact O-N 2.94Å; I58-G60 VanDerWaalsContact C-N 3.34Å; I58-G60 PolarHBondContact O-N 3.12Å; G60-H63 PolarHBondContact O-N 3.33Å; G60-Y64 WeakPolarHBondContact O-CB 3.28Å; G60-Y64 PolarHBondContact O-N 3.06Å
61	I	86.8	Confident	77.8	Confident	69 Å²	69	122.7 Å²	122.7	35%	0.354	59%	0.591	S	S	.	*	H	α-helix	trans	-62.3	-47.1	173.6	-60.1	168.9	0	0	0	110	T57 I58 H63 Y64 I65	T57-I61 WeakPolarHBondContact O-CG1 3.21Å; T57-I61 PolarHBondContact O-N 2.97Å; I58-I61 PolarHBondContact O-N 3.28Å; I61-H63 PolarHBondContact O-N 3.39Å; I61-Y64 PolarHBondContact O-N 2.96Å; I61-I65 HydrophobicContact CG2-CD1 3.78Å; I61-I65 HydrophobicContact CG2-CG1 4.45Å; I61-I65 WeakPolarHBondContact O-CG1 3.15Å; I61-I65 PolarHBondContact O-N 3.39Å
62	L	87.4	Confident	80.2	Confident	97 Å²	97	117.8 Å²	117.8	51%	0.508	58%	0.576	S	S	.	*	H	α-helix	trans	-61.9	-42.7	178.8	-72.3	168.3	0	0	0	112.2	I58 I65 Q66	I58-L62 HydrophobicContact CG2-CD1 3.95Å; I58-L62 HydrophobicContact CG2-CG 4.44Å; I58-L62 WeakPolarHBondContact O-CG 3.39Å; I58-L62 PolarHBondContact O-N 2.82Å; L62-I65 PolarHBondContact O-N 2.84Å; L62-Q66 WeakPolarHBondContact O-CB 3.49Å; L62-Q66 VanDerWaalsContact O-CG 3.3Å; L62-Q66 WeakPolarHBondContact O-CG 3.37Å; L62-Q66 PolarHBondContact O-N 2.72Å
63	H	83.9	Confident	82.6	Confident	132 Å²	132	114.9 Å²	114.9	61%	0.611	55%	0.552	S	S	*	*	H	α-helix	trans	-65.6	-38.2	175.8	-173.3	-73.7	0	0	0	112.2	P59 G60 I61 Q66 H67	P59-H63 WeakPolarHBondContact O-CB 3.15Å; P59-H63 PolarHBondContact O-N 2.68Å; G60-H63 PolarHBondContact O-N 3.33Å; I61-H63 PolarHBondContact O-N 3.39Å; H63-Q66 PolarHBondContact O-N 2.81Å; H63-H67 WeakPolarHBondContact O-CB 3.29Å; H63-H67 PolarHBondContact O-N 3.39Å
64	Y	87.9	Confident	84.5	Confident	140 Å²	140	112.2 Å²	112.2	55%	0.549	54%	0.543	S	S	.	.	H	α-helix	trans	-64.1	-47.3	174.8	178.4	-108.7	0	0	0	111.5	G60 I61 Q66 H67 E68	G60-Y64 WeakPolarHBondContact O-CB 3.28Å; G60-Y64 PolarHBondContact O-N 3.06Å; I61-Y64 PolarHBondContact O-N 2.96Å; Y64-Q66 VanDerWaalsContact C-N 3.32Å; Y64-Q66 PolarHBondContact O-N 3.46Å; Y64-H67 PolarHBondContact O-N 2.68Å; Y64-H67 VanDerWaalsContact O-N 3.14Å; Y64-E68 HydrophobicContact CD1-CG 4.36Å; Y64-E68 HydrophobicContact CD2-CG 4.04Å; Y64-E68 HydrophobicContact CE1-CG 3.89Å; Y64-E68 HydrophobicContact CE2-CG 3.5Å; Y64-E68 VanDerWaalsContact CE2-CG 3.5Å; Y64-E68 HydrophobicContact CG-CG 4.42Å; Y64-E68 VanDerWaalsContact CZ-CG 3.41Å; Y64-E68 WeakPolarHBondContact O-CG 3.34Å; Y64-E68 PolarHBondContact O-N 2.8Å; Y64-E68 PolarHBondContact OH-OE2 2.94Å
65	I	91.1	Very high	86.1	Confident	99 Å²	99	109.5 Å²	109.5	51%	0.508	53%	0.53	S	S	.	.	H	α-helix	trans	-61.1	-40	176.4	-67.5	169.5	0	0	0	111.3	I61 L62 W69	I61-I65 HydrophobicContact CG2-CD1 3.78Å; I61-I65 HydrophobicContact CG2-CG1 4.45Å; I61-I65 WeakPolarHBondContact O-CG1 3.15Å; I61-I65 PolarHBondContact O-N 3.39Å; L62-I65 PolarHBondContact O-N 2.84Å; I65-W69 WeakPolarHBondContact O-CB 3.24Å; I65-W69 PolarHBondContact O-N 3.49Å
66	Q	88.4	Confident	87.7	Confident	129 Å²	129	106.1 Å²	106.1	60%	0.603	51%	0.509	S	S	*	.	H	α-helix	trans	-65.5	-37.8	175.2	-76.2	175.7	-18.5	0	0	112.8	L62 H63 Y64 A70	L62-Q66 WeakPolarHBondContact O-CB 3.49Å; L62-Q66 VanDerWaalsContact O-CG 3.3Å; L62-Q66 WeakPolarHBondContact O-CG 3.37Å; L62-Q66 PolarHBondContact O-N 2.72Å; H63-Q66 PolarHBondContact O-N 2.81Å; Y64-Q66 VanDerWaalsContact C-N 3.32Å; Y64-Q66 PolarHBondContact O-N 3.46Å; Q66-A70 VanDerWaalsContact O-CB 3.31Å; Q66-A70 WeakPolarHBondContact O-CB 3.45Å; Q66-A70 PolarHBondContact O-N 2.81Å
67	H	91.6	Very high	88.9	Confident	112 Å²	112	100 Å²	100	52%	0.519	50%	0.496	S	S	.	.	H	α-helix	trans	-67.5	-50.2	176.2	-177.4	72.4	0	0	0	111.8	H63 Y64 W69 A70 R71	H63-H67 WeakPolarHBondContact O-CB 3.29Å; H63-H67 PolarHBondContact O-N 3.39Å; Y64-H67 PolarHBondContact O-N 2.68Å; Y64-H67 VanDerWaalsContact O-N 3.14Å; H67-W69 VanDerWaalsContact C-N 3.33Å; H67-W69 PolarHBondContact O-N 3.19Å; H67-A70 PolarHBondContact O-N 2.76Å; H67-R71 VanDerWaalsContact O-CB 3.31Å; H67-R71 WeakPolarHBondContact O-CB 3.24Å; H67-R71 PolarHBondContact O-N 2.81Å
68	E	93.2	Very high	89.3	Confident	62 Å²	62	101.2 Å²	101.2	29%	0.29	50%	0.495	S	S	.	.	H	α-helix	trans	-66.4	-34.8	179.5	-64.4	-71.8	77.4	0	0	111.8	Y64 R71 F72	Y64-E68 HydrophobicContact CD1-CG 4.36Å; Y64-E68 HydrophobicContact CD2-CG 4.04Å; Y64-E68 HydrophobicContact CE1-CG 3.89Å; Y64-E68 HydrophobicContact CE2-CG 3.5Å; Y64-E68 VanDerWaalsContact CE2-CG 3.5Å; Y64-E68 HydrophobicContact CG-CG 4.42Å; Y64-E68 VanDerWaalsContact CZ-CG 3.41Å; Y64-E68 WeakPolarHBondContact O-CG 3.34Å; Y64-E68 PolarHBondContact O-N 2.8Å; Y64-E68 PolarHBondContact OH-OE2 2.94Å; E68-R71 PolarHBondContact O-N 2.93Å; E68-R71 IonicContact OE1-NH1 3.96Å; E68-F72 VanDerWaalsContact O-CB 3.27Å; E68-F72 WeakPolarHBondContact O-CB 3.44Å; E68-F72 PolarHBondContact O-N 2.94Å
69	W	88.5	Confident	90	Very high	163 Å²	163	101.8 Å²	101.8	62%	0.617	49%	0.489	S	S	*	.	H	α-helix	trans	-66.5	-46.3	173.1	179.7	67.4	0	0	0	112.1	I65 H67 R71 F72 E73	I65-W69 WeakPolarHBondContact O-CB 3.24Å; I65-W69 PolarHBondContact O-N 3.49Å; H67-W69 VanDerWaalsContact C-N 3.33Å; H67-W69 PolarHBondContact O-N 3.19Å; W69-R71 VanDerWaalsContact C-N 3.28Å; W69-R71 PolarHBondContact O-N 3.26Å; W69-F72 PolarHBondContact O-N 2.89Å; W69-E73 PolarHBondContact NE1-OE2 2.74Å; W69-E73 PolarHBondContact O-N 3.26Å
70	A	91.9	Very high	90.3	Very high	44 Å²	44	100.5 Å²	100.5	36%	0.364	48%	0.475	S	S	.	.	H	α-helix	trans	-62.4	-37.3	176.2	0	0	0	0	0	112	Q66 H67 I74	Q66-A70 VanDerWaalsContact O-CB 3.31Å; Q66-A70 WeakPolarHBondContact O-CB 3.45Å; Q66-A70 PolarHBondContact O-N 2.81Å; H67-A70 PolarHBondContact O-N 2.76Å; A70-I74 WeakPolarHBondContact O-CD1 3.17Å; A70-I74 VanDerWaalsContact O-CG1 3.29Å; A70-I74 WeakPolarHBondContact O-CG1 3.32Å; A70-I74 PolarHBondContact O-N 2.84Å
71	R	92.9	Very high	90.8	Very high	126 Å²	126	103.1 Å²	103.1	48%	0.475	48%	0.483	S	S	.	.	H	α-helix	trans	-64.1	-48.8	173	178.6	-177.5	170.9	-165.8	-8	111.7	H67 E68 W69 E73 I74 E75	H67-R71 VanDerWaalsContact O-CB 3.31Å; H67-R71 WeakPolarHBondContact O-CB 3.24Å; H67-R71 PolarHBondContact O-N 2.81Å; E68-R71 PolarHBondContact O-N 2.93Å; E68-R71 IonicContact OE1-NH1 3.96Å; W69-R71 VanDerWaalsContact C-N 3.28Å; W69-R71 PolarHBondContact O-N 3.26Å; R71-E73 VanDerWaalsContact C-N 3.32Å; R71-E73 PolarHBondContact O-N 2.93Å; R71-I74 WeakPolarHBondContact O-CB 3.33Å; R71-I74 PolarHBondContact O-N 2.59Å; R71-I74 VanDerWaalsContact O-N 3.13Å; R71-E75 HydrophobicContact CG-CG 4.48Å; R71-E75 IonicContact CZ-OE1 3.84Å; R71-E75 VanDerWaalsContact CZ-OE1 3.25Å; R71-E75 IonicContact NE-OE1 2.79Å; R71-E75 PolarHBondContact NE-OE1 3.33Å; R71-E75 IonicContact NH2-OE1 2.9Å; R71-E75 PolarHBondContact NH2-OE1 3.15Å; R71-E75 PolarHBondContact O-N 2.92Å
72	F	93.4	Very high	91	Very high	130 Å²	130	104.4 Å²	104.4	57%	0.57	49%	0.488	S	S	*	.	H	α-helix	trans	-60.9	-39.7	178.4	-179.7	-95.7	0	0	0	112	E68 W69 I74 E75 R76	E68-F72 VanDerWaalsContact O-CB 3.27Å; E68-F72 WeakPolarHBondContact O-CB 3.44Å; E68-F72 PolarHBondContact O-N 2.94Å; W69-F72 PolarHBondContact O-N 2.89Å; F72-I74 VanDerWaalsContact C-N 3.31Å; F72-I74 PolarHBondContact O-N 2.95Å; F72-E75 PolarHBondContact O-N 2.99Å; F72-R76 WeakPolarHBondContact O-CB 3.49Å; F72-R76 PolarHBondContact O-N 2.88Å
73	E	93.4	Very high	91.3	Very high	61 Å²	61	104.7 Å²	104.7	29%	0.285	48%	0.482	S	S	.	.	H	α-helix	trans	-67.4	-31.5	176.7	-153.3	70.1	-125.5	0	0	111.9	W69 R71 R76 A77	W69-E73 PolarHBondContact NE1-OE2 2.74Å; W69-E73 PolarHBondContact O-N 3.26Å; R71-E73 VanDerWaalsContact C-N 3.32Å; R71-E73 PolarHBondContact O-N 2.93Å; E73-R76 WeakPolarHBondContact OE1-CD 3.13Å; E73-R76 IonicContact OE1-CZ 3.56Å; E73-R76 IonicContact OE1-NE 3.35Å; E73-R76 IonicContact OE1-NH1 2.86Å; E73-R76 PolarHBondContact OE1-NH1 3.47Å; E73-A77 VanDerWaalsContact O-CB 3.24Å; E73-A77 WeakPolarHBondContact O-CB 3.43Å; E73-A77 PolarHBondContact O-N 2.99Å
74	I	89.3	Confident	91.7	Very high	124 Å²	124	100.9 Å²	100.9	64%	0.636	47%	0.473	S	S	*	.	H	α-helix	trans	-70.6	-47.9	171.4	-68.8	164.3	0	0	0	111.3	A70 R71 F72 R76 A77 H78	A70-I74 WeakPolarHBondContact O-CD1 3.17Å; A70-I74 VanDerWaalsContact O-CG1 3.29Å; A70-I74 WeakPolarHBondContact O-CG1 3.32Å; A70-I74 PolarHBondContact O-N 2.84Å; R71-I74 WeakPolarHBondContact O-CB 3.33Å; R71-I74 PolarHBondContact O-N 2.59Å; R71-I74 VanDerWaalsContact O-N 3.13Å; F72-I74 VanDerWaalsContact C-N 3.31Å; F72-I74 PolarHBondContact O-N 2.95Å; I74-R76 VanDerWaalsContact C-N 3.3Å; I74-R76 PolarHBondContact O-N 3.32Å; I74-A77 PolarHBondContact O-N 2.95Å; I74-H78 WeakPolarHBondContact O-CB 3.48Å; I74-H78 PolarHBondContact O-N 2.97Å
75	E	91.8	Very high	91.9	Very high	95 Å²	95	101 Å²	101	44%	0.444	48%	0.479	S	S	.	.	H	α-helix	trans	-61.6	-39.5	177.7	-71.6	176.9	-179.8	0	0	110.9	R71 F72 W79	R71-E75 HydrophobicContact CG-CG 4.48Å; R71-E75 IonicContact CZ-OE1 3.84Å; R71-E75 VanDerWaalsContact CZ-OE1 3.25Å; R71-E75 IonicContact NE-OE1 2.79Å; R71-E75 PolarHBondContact NE-OE1 3.33Å; R71-E75 IonicContact NH2-OE1 2.9Å; R71-E75 PolarHBondContact NH2-OE1 3.15Å; R71-E75 PolarHBondContact O-N 2.92Å; F72-E75 PolarHBondContact O-N 2.99Å; E75-W79 PolarHBondContact O-N 2.77Å
76	R	91.6	Very high	92	Very high	111 Å²	111	101.7 Å²	101.7	42%	0.419	48%	0.483	S	S	.	.	H	α-helix	trans	-62.9	-49	171.4	179.9	-167.2	159.9	-158.5	-5.4	112.2	F72 E73 I74 H78 W79 E80	F72-R76 WeakPolarHBondContact O-CB 3.49Å; F72-R76 PolarHBondContact O-N 2.88Å; E73-R76 WeakPolarHBondContact OE1-CD 3.13Å; E73-R76 IonicContact OE1-CZ 3.56Å; E73-R76 IonicContact OE1-NE 3.35Å; E73-R76 IonicContact OE1-NH1 2.86Å; E73-R76 PolarHBondContact OE1-NH1 3.47Å; I74-R76 VanDerWaalsContact C-N 3.3Å; I74-R76 PolarHBondContact O-N 3.32Å; R76-H78 VanDerWaalsContact C-N 3.28Å; R76-H78 PolarHBondContact O-N 2.87Å; R76-W79 PolarHBondContact O-N 2.77Å; R76-E80 IonicContact CZ-OE1 2.7Å; R76-E80 VanDerWaalsContact CZ-OE1 3.23Å; R76-E80 IonicContact NE-OE1 3.79Å; R76-E80 PolarHBondContact NE-OE1 3.09Å; R76-E80 IonicContact NH2-OE1 3.52Å; R76-E80 PolarHBondContact NH2-OE1 2.85Å; R76-E80 PolarHBondContact O-N 2.93Å
77	A	92.4	Very high	92.1	Very high	52 Å²	52	101.2 Å²	101.2	43%	0.43	48%	0.48	S	S	.	.	H	α-helix	trans	-62.6	-37.3	179.9	0	0	0	0	0	111.7	E73 I74 E80 V81	E73-A77 VanDerWaalsContact O-CB 3.24Å; E73-A77 WeakPolarHBondContact O-CB 3.43Å; E73-A77 PolarHBondContact O-N 2.99Å; I74-A77 PolarHBondContact O-N 2.95Å; A77-E80 PolarHBondContact O-N 3.05Å; A77-V81 WeakPolarHBondContact O-CG2 3.24Å; A77-V81 PolarHBondContact O-N 2.8Å; A77-V81 VanDerWaalsContact O-N 3.13Å
78	H	92.1	Very high	92.1	Very high	116 Å²	116	98.8 Å²	98.8	54%	0.537	48%	0.48	S	S	.	.	H	α-helix	trans	-61.8	-47.6	172.7	-176	15.5	0	0	0	111.5	I74 R76 E80 V81 E82	I74-H78 WeakPolarHBondContact O-CB 3.48Å; I74-H78 PolarHBondContact O-N 2.97Å; R76-H78 VanDerWaalsContact C-N 3.28Å; R76-H78 PolarHBondContact O-N 2.87Å; H78-E80 PolarHBondContact O-N 2.9Å; H78-V81 WeakPolarHBondContact O-CB 3.25Å; H78-V81 PolarHBondContact O-N 2.94Å; H78-V81 VanDerWaalsContact O-N 3.16Å; H78-E82 IonicContact CE1-OE1 3.14Å; H78-E82 PolarHBondContact O-N 3.33Å
79	W	92.8	Very high	91.9	Very high	141 Å²	141	102.8 Å²	102.8	53%	0.534	49%	0.492	S	S	.	.	H	α-helix	trans	-63.8	-36.4	176.3	-176.4	80.4	0	0	0	113.2	E75 R76 V81 E82 R83	E75-W79 PolarHBondContact O-N 2.77Å; R76-W79 PolarHBondContact O-N 2.77Å; W79-V81 VanDerWaalsContact C-N 3.29Å; W79-V81 PolarHBondContact O-N 2.86Å; W79-E82 PolarHBondContact O-N 3.11Å; W79-R83 VanDerWaalsContact CZ3-NH1 3.33Å; W79-R83 WeakPolarHBondContact O-CB 3.37Å; W79-R83 PolarHBondContact O-N 3.06Å
80	E	92.4	Very high	92	Very high	69 Å²	69	99.4 Å²	99.4	32%	0.322	49%	0.486	S	S	.	.	H	α-helix	trans	-64.5	-33.7	174.2	-75	-174.2	-166.8	0	0	112.1	R76 A77 H78 A84	R76-E80 IonicContact CZ-OE1 2.7Å; R76-E80 VanDerWaalsContact CZ-OE1 3.23Å; R76-E80 IonicContact NE-OE1 3.79Å; R76-E80 PolarHBondContact NE-OE1 3.09Å; R76-E80 IonicContact NH2-OE1 3.52Å; R76-E80 PolarHBondContact NH2-OE1 2.85Å; R76-E80 PolarHBondContact O-N 2.93Å; A77-E80 PolarHBondContact O-N 3.05Å; H78-E80 PolarHBondContact O-N 2.9Å; E80-A84 WeakPolarHBondContact O-CB 3.33Å; E80-A84 PolarHBondContact O-N 2.99Å; E80-A84 VanDerWaalsContact O-N 3.14Å
81	V	93.6	Very high	91.9	Very high	94 Å²	94	100.1 Å²	100.1	57%	0.57	49%	0.491	S	S	*	.	H	α-helix	trans	-70.3	-50	172.1	171.6	0	0	0	0	111.7	A77 H78 W79 R83 A84 E85	A77-V81 WeakPolarHBondContact O-CG2 3.24Å; A77-V81 PolarHBondContact O-N 2.8Å; A77-V81 VanDerWaalsContact O-N 3.13Å; H78-V81 WeakPolarHBondContact O-CB 3.25Å; H78-V81 PolarHBondContact O-N 2.94Å; H78-V81 VanDerWaalsContact O-N 3.16Å; W79-V81 VanDerWaalsContact C-N 3.29Å; W79-V81 PolarHBondContact O-N 2.86Å; V81-R83 VanDerWaalsContact C-N 3.29Å; V81-R83 PolarHBondContact O-N 2.99Å; V81-A84 WeakPolarHBondContact O-CB 3.31Å; V81-A84 PolarHBondContact O-N 2.99Å; V81-A84 VanDerWaalsContact O-N 3.07Å; V81-E85 PolarHBondContact O-N 2.87Å
82	E	92.1	Very high	91.9	Very high	96 Å²	96	99.9 Å²	99.9	45%	0.449	49%	0.494	S	S	.	.	H	α-helix	trans	-58.1	-42.6	177.2	-69.7	-170.7	137	0	0	111.6	H78 W79 A84 E85 L86	H78-E82 IonicContact CE1-OE1 3.14Å; H78-E82 PolarHBondContact O-N 3.33Å; W79-E82 PolarHBondContact O-N 3.11Å; E82-A84 VanDerWaalsContact C-N 3.32Å; E82-A84 PolarHBondContact O-N 2.92Å; E82-E85 PolarHBondContact O-N 2.88Å; E82-L86 WeakPolarHBondContact O-CB 3.34Å; E82-L86 WeakPolarHBondContact O-CG 3.4Å; E82-L86 PolarHBondContact O-N 3.01Å
83	R	92.6	Very high	91.8	Very high	103 Å²	103	97.5 Å²	97.5	39%	0.389	49%	0.487	S	S	.	.	H	α-helix	trans	-61.6	-40	175.9	-171.2	-174.1	71.5	-171.1	-2.8	111.6	W79 V81 Q87	W79-R83 VanDerWaalsContact CZ3-NH1 3.33Å; W79-R83 WeakPolarHBondContact O-CB 3.37Å; W79-R83 PolarHBondContact O-N 3.06Å; V81-R83 VanDerWaalsContact C-N 3.29Å; V81-R83 PolarHBondContact O-N 2.99Å; R83-Q87 WeakPolarHBondContact O-CB 3.34Å; R83-Q87 WeakPolarHBondContact O-CG 3.03Å; R83-Q87 PolarHBondContact O-N 3.02Å
84	A	92.5	Very high	91.5	Very high	52 Å²	52	100.8 Å²	100.8	43%	0.43	50%	0.502	S	S	.	.	H	α-helix	trans	-67.9	-40	176.4	0	0	0	0	0	112.1	E80 V81 E82 Q87 A88	E80-A84 WeakPolarHBondContact O-CB 3.33Å; E80-A84 PolarHBondContact O-N 2.99Å; E80-A84 VanDerWaalsContact O-N 3.14Å; V81-A84 WeakPolarHBondContact O-CB 3.31Å; V81-A84 PolarHBondContact O-N 2.99Å; V81-A84 VanDerWaalsContact O-N 3.07Å; E82-A84 VanDerWaalsContact C-N 3.32Å; E82-A84 PolarHBondContact O-N 2.92Å; A84-Q87 PolarHBondContact O-N 3.48Å; A84-A88 WeakPolarHBondContact O-CB 3.16Å; A84-A88 PolarHBondContact O-N 3.27Å
85	E	93.1	Very high	91.5	Very high	142 Å²	142	97 Å²	97	66%	0.664	49%	0.493	S	S	*	.	H	α-helix	trans	-63.8	-47.6	174.9	-174.9	175.8	167.2	0	0	111.6	V81 E82 Q87 A88 R89	V81-E85 PolarHBondContact O-N 2.87Å; E82-E85 PolarHBondContact O-N 2.88Å; E85-Q87 VanDerWaalsContact C-N 3.33Å; E85-Q87 PolarHBondContact O-N 2.6Å; E85-A88 PolarHBondContact O-N 2.84Å; E85-R89 WeakPolarHBondContact O-CB 3.37Å; E85-R89 PolarHBondContact O-N 3.07Å
86	L	93.3	Very high	91.5	Very high	113 Å²	113	96.9 Å²	96.9	59%	0.592	49%	0.493	S	S	*	.	H	α-helix	trans	-61.9	-40.2	176.4	-70.4	172.6	0	0	0	111.8	E82 R89 I90	E82-L86 WeakPolarHBondContact O-CB 3.34Å; E82-L86 WeakPolarHBondContact O-CG 3.4Å; E82-L86 PolarHBondContact O-N 3.01Å; L86-R89 PolarHBondContact O-N 3.2Å; L86-I90 WeakPolarHBondContact O-CB 3.27Å; L86-I90 WeakPolarHBondContact O-CD1 3.3Å; L86-I90 VanDerWaalsContact O-CG1 3.23Å; L86-I90 WeakPolarHBondContact O-CG1 3.48Å; L86-I90 PolarHBondContact O-N 2.83Å
87	Q	90.3	Very high	91.5	Very high	119 Å²	119	100.8 Å²	100.8	56%	0.556	51%	0.508	S	S	*	.	H	α-helix	trans	-62.4	-43.8	173.2	-77.6	174.6	-5.8	0	0	112	R83 A84 E85 I90 A91	R83-Q87 WeakPolarHBondContact O-CB 3.34Å; R83-Q87 WeakPolarHBondContact O-CG 3.03Å; R83-Q87 PolarHBondContact O-N 3.02Å; A84-Q87 PolarHBondContact O-N 3.48Å; E85-Q87 VanDerWaalsContact C-N 3.33Å; E85-Q87 PolarHBondContact O-N 2.6Å; Q87-I90 PolarHBondContact O-N 3.34Å; Q87-A91 WeakPolarHBondContact O-CB 3.34Å; Q87-A91 PolarHBondContact O-N 2.97Å
88	A	91.4	Very high	91.3	Very high	62 Å²	62	105.2 Å²	105.2	51%	0.512	52%	0.517	S	S	.	.	H	α-helix	trans	-63.7	-40.4	175.4	0	0	0	0	0	112	A84 E85 A91 F92	A84-A88 WeakPolarHBondContact O-CB 3.16Å; A84-A88 PolarHBondContact O-N 3.27Å; E85-A88 PolarHBondContact O-N 2.84Å; A88-A91 PolarHBondContact O-N 3.28Å; A88-F92 WeakPolarHBondContact O-CB 3.02Å; A88-F92 PolarHBondContact O-N 2.83Å
89	R	88.6	Confident	91	Very high	145 Å²	145	101.6 Å²	101.6	55%	0.547	51%	0.511	S	S	.	.	H	α-helix	trans	-66	-40.3	176.9	-172.5	60.6	176.9	168	1.6	112.1	E85 L86 F92 L93	E85-R89 WeakPolarHBondContact O-CB 3.37Å; E85-R89 PolarHBondContact O-N 3.07Å; L86-R89 PolarHBondContact O-N 3.2Å; R89-F92 PolarHBondContact O-N 3.26Å; R89-L93 HydrophobicContact CG-CD1 4.27Å; R89-L93 WeakPolarHBondContact O-CG 3.32Å; R89-L93 PolarHBondContact O-N 2.83Å
90	I	89.7	Confident	90.8	Very high	93 Å²	93	100.5 Å²	100.5	48%	0.477	51%	0.512	S	S	.	.	H	α-helix	trans	-62.9	-46.4	173.2	-71.1	164.5	0	0	0	110.5	L86 Q87 F92 L93 Q94	L86-I90 WeakPolarHBondContact O-CB 3.27Å; L86-I90 WeakPolarHBondContact O-CD1 3.3Å; L86-I90 VanDerWaalsContact O-CG1 3.23Å; L86-I90 WeakPolarHBondContact O-CG1 3.48Å; L86-I90 PolarHBondContact O-N 2.83Å; Q87-I90 PolarHBondContact O-N 3.34Å; I90-F92 VanDerWaalsContact C-N 3.34Å; I90-F92 PolarHBondContact O-N 3.48Å; I90-L93 PolarHBondContact O-N 2.93Å; I90-Q94 HydrophobicContact CG2-CG 4.38Å; I90-Q94 WeakPolarHBondContact O-CB 3.34Å; I90-Q94 VanDerWaalsContact O-CG 3.29Å; I90-Q94 WeakPolarHBondContact O-CG 3.33Å; I90-Q94 PolarHBondContact O-N 3.14Å
91	A	91.4	Very high	90.4	Very high	58 Å²	58	101 Å²	101	48%	0.479	52%	0.515	S	S	.	.	H	α-helix	trans	-61.3	-41	177.8	0	0	0	0	0	112.3	Q87 A88 Q94 G95	Q87-A91 WeakPolarHBondContact O-CB 3.34Å; Q87-A91 PolarHBondContact O-N 2.97Å; A88-A91 PolarHBondContact O-N 3.28Å; A91-Q94 PolarHBondContact O-N 3.03Å; A91-G95 PolarHBondContact O-N 3.26Å
92	F	92.1	Very high	90	Very high	121 Å²	121	101.1 Å²	101.1	53%	0.531	51%	0.512	S	S	.	.	H	α-helix	trans	-59.2	-52	173.9	-179.6	-86.2	0	0	0	111.8	A88 R89 I90 Q94 G95 E96	A88-F92 WeakPolarHBondContact O-CB 3.02Å; A88-F92 PolarHBondContact O-N 2.83Å; R89-F92 PolarHBondContact O-N 3.26Å; I90-F92 VanDerWaalsContact C-N 3.34Å; I90-F92 PolarHBondContact O-N 3.48Å; F92-Q94 VanDerWaalsContact C-N 3.32Å; F92-Q94 PolarHBondContact O-N 2.78Å; F92-G95 WeakPolarHBondContact O-CA 3.4Å; F92-G95 PolarHBondContact O-N 3.18Å; F92-G95 VanDerWaalsContact O-N 3.1Å; F92-E96 PolarHBondContact O-N 3.1Å
93	L	91.9	Very high	89.9	Confident	81 Å²	81	101.4 Å²	101.4	42%	0.424	52%	0.516	S	S	.	.	H	α-helix	trans	-66.1	-32.7	-178.6	-68.8	169.5	0	0	0	112.6	R89 I90 R97	R89-L93 HydrophobicContact CG-CD1 4.27Å; R89-L93 WeakPolarHBondContact O-CG 3.32Å; R89-L93 PolarHBondContact O-N 2.83Å; I90-L93 PolarHBondContact O-N 2.93Å; L93-R97 WeakPolarHBondContact O-CB 3.46Å; L93-R97 PolarHBondContact O-N 3.48Å
94	Q	85.7	Confident	89.8	Confident	129 Å²	129	101.6 Å²	101.6	60%	0.603	52%	0.52	S	S	*	.	H	α-helix	trans	-66.9	-40.4	170.8	-73	178.3	8.2	0	0	111.9	I90 A91 F92 K98	I90-Q94 HydrophobicContact CG2-CG 4.38Å; I90-Q94 WeakPolarHBondContact O-CB 3.34Å; I90-Q94 VanDerWaalsContact O-CG 3.29Å; I90-Q94 WeakPolarHBondContact O-CG 3.33Å; I90-Q94 PolarHBondContact O-N 3.14Å; A91-Q94 PolarHBondContact O-N 3.03Å; F92-Q94 VanDerWaalsContact C-N 3.32Å; F92-Q94 PolarHBondContact O-N 2.78Å; Q94-K98 WeakPolarHBondContact O-CB 3.47Å; Q94-K98 PolarHBondContact O-N 3.03Å
95	G	90.8	Very high	89.5	Confident	44 Å²	44	102 Å²	102	45%	0.454	52%	0.515	S	S	.	.	H	α-helix	trans	-61.3	-46.2	173.1	0	0	0	0	0	112.4	A91 F92 K98 G99	A91-G95 PolarHBondContact O-N 3.26Å; F92-G95 WeakPolarHBondContact O-CA 3.4Å; F92-G95 PolarHBondContact O-N 3.18Å; F92-G95 VanDerWaalsContact O-N 3.1Å; G95-K98 PolarHBondContact O-N 2.94Å; G95-G99 PolarHBondContact O-N 3.39Å
96	E	90.3	Very high	89.3	Confident	93 Å²	93	97.5 Å²	97.5	44%	0.435	50%	0.495	S	S	.	.	H	α-helix	trans	-62.4	-49.2	176.8	-169.3	-177.8	171.3	0	0	111.7	F92 K98 G99 Q100	F92-E96 PolarHBondContact O-N 3.1Å; E96-K98 VanDerWaalsContact C-N 3.27Å; E96-K98 PolarHBondContact O-N 2.82Å; E96-G99 WeakPolarHBondContact O-CA 3.16Å; E96-G99 PolarHBondContact O-N 3.3Å; E96-Q100 WeakPolarHBondContact O-CG 3.43Å; E96-Q100 PolarHBondContact O-N 3.5Å; E96-Q100 PolarHBondContact OE1-NE2 2.86Å
97	R	91.5	Very high	89	Confident	193 Å²	193	96.1 Å²	96.1	73%	0.728	49%	0.488	S	S	*	.	H	α-helix	trans	-54	-43.5	173.8	175.1	-176.5	-86.8	-155.9	-4.6	111.5	L93 G99 Q100 E101	L93-R97 WeakPolarHBondContact O-CB 3.46Å; L93-R97 PolarHBondContact O-N 3.48Å; R97-G99 VanDerWaalsContact C-N 3.35Å; R97-Q100 PolarHBondContact O-N 2.85Å; R97-E101 WeakPolarHBondContact O-CB 3.35Å; R97-E101 PolarHBondContact O-N 2.83Å
98	K	88.8	Confident	89	Confident	145 Å²	145	93.3 Å²	93.3	63%	0.63	48%	0.479	S	S	*	.	H	α-helix	trans	-66.2	-36.5	178	-171.3	175.7	-178.1	179.2	0	111.9	Q94 G95 E96 N102	Q94-K98 WeakPolarHBondContact O-CB 3.47Å; Q94-K98 PolarHBondContact O-N 3.03Å; G95-K98 PolarHBondContact O-N 2.94Å; E96-K98 VanDerWaalsContact C-N 3.27Å; E96-K98 PolarHBondContact O-N 2.82Å; K98-N102 WeakPolarHBondContact O-CB 3.38Å; K98-N102 VanDerWaalsContact O-CG 3.23Å; K98-N102 PolarHBondContact O-N 3.45Å; K98-N102 PolarHBondContact O-ND2 2.87Å
99	G	86.2	Confident	88.7	Confident	40 Å²	40	95.4 Å²	95.4	41%	0.412	47%	0.473	S	S	.	.	H	α-helix	trans	-63.2	-47.5	171.9	0	0	0	0	0	112.8	G95 E96 R97 N102 L103	G95-G99 PolarHBondContact O-N 3.39Å; E96-G99 WeakPolarHBondContact O-CA 3.16Å; E96-G99 PolarHBondContact O-N 3.3Å; R97-G99 VanDerWaalsContact C-N 3.35Å; G99-N102 PolarHBondContact O-N 3.12Å; G99-L103 PolarHBondContact O-N 2.84Å
100	Q	87.8	Confident	88.7	Confident	119 Å²	119	95.2 Å²	95.2	56%	0.556	47%	0.473	S	S	*	.	H	α-helix	trans	-62.5	-42.2	176.5	-66.9	178.5	7.6	0	0	111.9	E96 R97 L103 K104	E96-Q100 WeakPolarHBondContact O-CG 3.43Å; E96-Q100 PolarHBondContact O-N 3.5Å; E96-Q100 PolarHBondContact OE1-NE2 2.86Å; R97-Q100 PolarHBondContact O-N 2.85Å; Q100-L103 PolarHBondContact O-N 3.45Å; Q100-K104 WeakPolarHBondContact O-CB 3.27Å; Q100-K104 PolarHBondContact O-N 3.16Å
101	E	84.4	Confident	88.7	Confident	79 Å²	79	95.4 Å²	95.4	37%	0.369	47%	0.474	S	S	.	.	H	α-helix	trans	-65.2	-41.4	176.9	-176.3	57.4	-151.7	0	0	112	R97 L103 K104 N105	R97-E101 WeakPolarHBondContact O-CB 3.35Å; R97-E101 PolarHBondContact O-N 2.83Å; E101-L103 VanDerWaalsContact C-N 3.35Å; E101-L103 PolarHBondContact O-N 3.41Å; E101-K104 PolarHBondContact O-N 2.67Å; E101-K104 VanDerWaalsContact OE1-CE 3.23Å; E101-K104 WeakPolarHBondContact OE1-CE 3.37Å; E101-K104 IonicContact OE1-NZ 3.47Å; E101-K104 PolarHBondContact OE1-NZ 3.44Å; E101-K104 WeakPolarHBondContact OE2-CE 3.31Å; E101-K104 IonicContact OE2-NZ 3.8Å; E101-K104 PolarHBondContact OE2-NZ 3.33Å; E101-N105 WeakPolarHBondContact O-CB 3.32Å; E101-N105 PolarHBondContact O-N 2.8Å; E101-N105 PolarHBondContact O-ND2 3.01Å; E101-N105 PolarHBondContact OE1-ND2 3.21Å
102	N	86.1	Confident	88.4	Confident	97 Å²	97	97.7 Å²	97.7	52%	0.519	47%	0.473	S	S	.	.	H	α-helix	trans	-60.8	-42.4	172.6	-77.7	-17.8	0	0	0	112	K98 G99 N105 D106	K98-N102 WeakPolarHBondContact O-CB 3.38Å; K98-N102 VanDerWaalsContact O-CG 3.23Å; K98-N102 PolarHBondContact O-N 3.45Å; K98-N102 PolarHBondContact O-ND2 2.87Å; G99-N102 PolarHBondContact O-N 3.12Å; N102-N105 PolarHBondContact O-N 2.69Å; N102-D106 PolarHBondContact O-N 3.5Å
103	L	88.8	Confident	88	Confident	102 Å²	102	97.2 Å²	97.2	53%	0.534	47%	0.474	S	S	.	.	H	α-helix	trans	-65	-43.9	176.1	179	60.9	0	0	0	111.7	G99 Q100 E101 N105 D106 L107	G99-L103 PolarHBondContact O-N 2.84Å; Q100-L103 PolarHBondContact O-N 3.45Å; E101-L103 VanDerWaalsContact C-N 3.35Å; E101-L103 PolarHBondContact O-N 3.41Å; L103-N105 VanDerWaalsContact C-N 3.33Å; L103-N105 PolarHBondContact O-N 3.26Å; L103-D106 PolarHBondContact O-N 2.87Å; L103-L107 HydrophobicContact CD1-CD1 4.32Å; L103-L107 HydrophobicContact CD1-CG 4.29Å; L103-L107 HydrophobicContact CG-CD1 4.1Å; L103-L107 WeakPolarHBondContact O-CG 3.46Å; L103-L107 PolarHBondContact O-N 3.19Å
104	K	92	Very high	87.9	Confident	107 Å²	107	99.3 Å²	99.3	47%	0.465	48%	0.484	S	S	.	.	H	α-helix	trans	-56.9	-47.5	174.5	-170.5	-163.7	76.8	-165.2	0	110.9	Q100 E101 D106 L107 V108	Q100-K104 WeakPolarHBondContact O-CB 3.27Å; Q100-K104 PolarHBondContact O-N 3.16Å; E101-K104 PolarHBondContact O-N 2.67Å; E101-K104 VanDerWaalsContact OE1-CE 3.23Å; E101-K104 WeakPolarHBondContact OE1-CE 3.37Å; E101-K104 IonicContact OE1-NZ 3.47Å; E101-K104 PolarHBondContact OE1-NZ 3.44Å; E101-K104 WeakPolarHBondContact OE2-CE 3.31Å; E101-K104 IonicContact OE2-NZ 3.8Å; E101-K104 PolarHBondContact OE2-NZ 3.33Å; K104-D106 VanDerWaalsContact C-N 3.33Å; K104-D106 PolarHBondContact O-N 3.14Å; K104-L107 PolarHBondContact O-N 2.94Å; K104-V108 WeakPolarHBondContact O-CG2 3.36Å; K104-V108 PolarHBondContact O-N 3.3Å
105	N	86	Confident	87.8	Confident	61 Å²	61	97.6 Å²	97.6	33%	0.326	48%	0.477	S	S	.	.	H	α-helix	trans	-65.3	-35	179.3	-72.2	-38.8	0	0	0	112.3	E101 N102 L103 R109	E101-N105 WeakPolarHBondContact O-CB 3.32Å; E101-N105 PolarHBondContact O-N 2.8Å; E101-N105 PolarHBondContact O-ND2 3.01Å; E101-N105 PolarHBondContact OE1-ND2 3.21Å; N102-N105 PolarHBondContact O-N 2.69Å; L103-N105 VanDerWaalsContact C-N 3.33Å; L103-N105 PolarHBondContact O-N 3.26Å; N105-R109 WeakPolarHBondContact O-CG 3.32Å; N105-R109 PolarHBondContact O-N 3.45Å
106	D	88.8	Confident	87.6	Confident	47 Å²	47	98.6 Å²	98.6	25%	0.251	47%	0.467	S	S	.	.	H	α-helix	trans	-70.8	-40.9	173.6	-156.5	62.8	0	0	0	113.3	N102 L103 K104 V108 R109 R110	N102-D106 PolarHBondContact O-N 3.5Å; L103-D106 PolarHBondContact O-N 2.87Å; K104-D106 VanDerWaalsContact C-N 3.33Å; K104-D106 PolarHBondContact O-N 3.14Å; D106-V108 VanDerWaalsContact C-N 3.34Å; D106-V108 PolarHBondContact O-N 3.06Å; D106-R109 WeakPolarHBondContact O-CB 3.47Å; D106-R109 PolarHBondContact O-N 2.83Å; D106-R109 IonicContact OD1-CZ 3.89Å; D106-R109 IonicContact OD1-NE 3.45Å; D106-R109 PolarHBondContact OD1-NE 2.75Å; D106-R109 IonicContact OD1-NH2 3.25Å; D106-R109 PolarHBondContact OD1-NH2 3.09Å; D106-R110 WeakPolarHBondContact O-CG 3.41Å; D106-R110 PolarHBondContact O-N 2.97Å; D106-R110 IonicContact OD2-CZ 2.99Å; D106-R110 IonicContact OD2-NE 2.76Å; D106-R110 PolarHBondContact OD2-NE 3.13Å; D106-R110 IonicContact OD2-NH2 2.72Å; D106-R110 PolarHBondContact OD2-NH2 3.14Å
107	L	86.8	Confident	87.3	Confident	84 Å²	84	96.4 Å²	96.4	44%	0.44	47%	0.465	S	S	.	.	H	α-helix	trans	-60.3	-42.8	173.1	-70.8	170.2	0	0	0	111.4	L103 K104 R109 R110 I111	L103-L107 HydrophobicContact CD1-CD1 4.32Å; L103-L107 HydrophobicContact CD1-CG 4.29Å; L103-L107 HydrophobicContact CG-CD1 4.1Å; L103-L107 WeakPolarHBondContact O-CG 3.46Å; L103-L107 PolarHBondContact O-N 3.19Å; K104-L107 PolarHBondContact O-N 2.94Å; L107-R109 VanDerWaalsContact C-N 3.34Å; L107-R109 PolarHBondContact O-N 3Å; L107-R110 PolarHBondContact O-N 3.23Å; L107-I111 VanDerWaalsContact O-CG1 3.29Å; L107-I111 WeakPolarHBondContact O-CG1 3.21Å; L107-I111 PolarHBondContact O-N 2.85Å
108	V	89.4	Confident	87.1	Confident	60 Å²	60	91.4 Å²	91.4	36%	0.364	45%	0.452	S	S	.	.	H	α-helix	trans	-61.7	-39.4	174.2	169	0	0	0	0	111.8	K104 D106 K112	K104-V108 WeakPolarHBondContact O-CG2 3.36Å; K104-V108 PolarHBondContact O-N 3.3Å; D106-V108 VanDerWaalsContact C-N 3.34Å; D106-V108 PolarHBondContact O-N 3.06Å; V108-K112 HydrophobicContact CG1-CD 4.33Å; V108-K112 WeakPolarHBondContact O-CG 3.42Å; V108-K112 PolarHBondContact O-N 3.49Å
109	R	85.6	Confident	86.9	Confident	105 Å²	105	89.3 Å²	89.3	40%	0.396	44%	0.443	S	S	.	.	H	α-helix	trans	-62.7	-45.5	172.6	-72.7	-170.7	-69	-108.8	-2.2	111.9	N105 D106 L107 K112 M113 F144	N105-R109 WeakPolarHBondContact O-CG 3.32Å; N105-R109 PolarHBondContact O-N 3.45Å; D106-R109 WeakPolarHBondContact O-CB 3.47Å; D106-R109 PolarHBondContact O-N 2.83Å; D106-R109 IonicContact OD1-CZ 3.89Å; D106-R109 IonicContact OD1-NE 3.45Å; D106-R109 PolarHBondContact OD1-NE 2.75Å; D106-R109 IonicContact OD1-NH2 3.25Å; D106-R109 PolarHBondContact OD1-NH2 3.09Å; L107-R109 VanDerWaalsContact C-N 3.34Å; L107-R109 PolarHBondContact O-N 3Å; R109-K112 PolarHBondContact O-N 3.16Å; R109-M113 WeakPolarHBondContact O-CG 3.47Å; R109-M113 PolarHBondContact O-N 3.38Å; R109-F144 HydrophobicContact CB-CE1 4.13Å; R109-F144 HydrophobicContact CB-CZ 4.32Å; R109-F144 HydrophobicContact CG-CD1 3.84Å; R109-F144 HydrophobicContact CG-CE1 3.62Å; R109-F144 HydrophobicContact CG-CZ 4.19Å
110	R	87.8	Confident	86.6	Confident	142 Å²	142	92.8 Å²	92.8	54%	0.536	45%	0.448	S	S	.	.	H	α-helix	trans	-61.3	-43.7	177.3	-66.9	174.5	-162.6	-155	6	112.1	D106 L107 M113 L114	D106-R110 WeakPolarHBondContact O-CG 3.41Å; D106-R110 PolarHBondContact O-N 2.97Å; D106-R110 IonicContact OD2-CZ 2.99Å; D106-R110 IonicContact OD2-NE 2.76Å; D106-R110 PolarHBondContact OD2-NE 3.13Å; D106-R110 IonicContact OD2-NH2 2.72Å; D106-R110 PolarHBondContact OD2-NH2 3.14Å; L107-R110 PolarHBondContact O-N 3.23Å; R110-M113 PolarHBondContact O-N 3.36Å; R110-L114 WeakPolarHBondContact O-CG 3.41Å; R110-L114 PolarHBondContact O-N 2.79Å
111	I	90.4	Very high	86.4	Confident	97 Å²	97	92.5 Å²	92.5	50%	0.497	45%	0.447	S	S	.	.	H	α-helix	trans	-60.2	-49.2	176.1	-68.8	163.1	0	0	0	110.4	L107 M113 L114 E115	L107-I111 VanDerWaalsContact O-CG1 3.29Å; L107-I111 WeakPolarHBondContact O-CG1 3.21Å; L107-I111 PolarHBondContact O-N 2.85Å; I111-M113 VanDerWaalsContact C-N 3.29Å; I111-M113 PolarHBondContact O-N 2.8Å; I111-L114 PolarHBondContact O-N 3.08Å; I111-L114 VanDerWaalsContact O-N 3.16Å; I111-E115 PolarHBondContact O-N 3.22Å
112	K	86.1	Confident	86.3	Confident	105 Å²	105	96.9 Å²	96.9	46%	0.457	46%	0.46	S	S	.	.	H	α-helix	trans	-58.8	-37.2	176.5	-73.6	177.4	177.2	-177.6	0	112.8	V108 R109 Y116 F144	V108-K112 HydrophobicContact CG1-CD 4.33Å; V108-K112 WeakPolarHBondContact O-CG 3.42Å; V108-K112 PolarHBondContact O-N 3.49Å; R109-K112 PolarHBondContact O-N 3.16Å; K112-Y116 WeakPolarHBondContact O-CB 3.43Å; K112-Y116 PolarHBondContact O-N 3.06Å; K112-Y116 VanDerWaalsContact O-N 3.1Å; K112-F144 HydrophobicContact CD-CE1 4.35Å
113	M	83.1	Confident	85.9	Confident	112 Å²	112	93.8 Å²	93.8	55%	0.552	45%	0.448	S	S	*	.	H	α-helix	trans	-69.1	-42.6	174.7	-72.5	179.8	66.3	0	0	112.9	R109 R110 I111 Y116 A117	R109-M113 WeakPolarHBondContact O-CG 3.47Å; R109-M113 PolarHBondContact O-N 3.38Å; R110-M113 PolarHBondContact O-N 3.36Å; I111-M113 VanDerWaalsContact C-N 3.29Å; I111-M113 PolarHBondContact O-N 2.8Å; M113-Y116 PolarHBondContact O-N 2.75Å; M113-A117 WeakPolarHBondContact O-CB 3.43Å; M113-A117 PolarHBondContact O-N 2.88Å
114	L	89.9	Confident	85.5	Confident	124 Å²	124	95 Å²	95	65%	0.649	45%	0.449	S	S	*	.	H	α-helix	trans	-66	-41.2	177.2	-72.3	169.4	0	0	0	111.7	R110 I111 Y116 A117 L118	R110-L114 WeakPolarHBondContact O-CG 3.41Å; R110-L114 PolarHBondContact O-N 2.79Å; I111-L114 PolarHBondContact O-N 3.08Å; I111-L114 VanDerWaalsContact O-N 3.16Å; L114-Y116 PolarHBondContact O-N 2.84Å; L114-A117 PolarHBondContact O-N 3.03Å; L114-L118 VanDerWaalsContact O-CB 3.25Å; L114-L118 WeakPolarHBondContact O-CB 3.07Å; L114-L118 PolarHBondContact O-N 3.03Å
115	E	83.8	Confident	84.9	Confident	94 Å²	94	96.7 Å²	96.7	44%	0.439	45%	0.453	S	S	.	.	H	α-helix	trans	-58.8	-45.5	171.4	-80.6	-169.3	-153.8	0	0	112.4	I111 L118 K119	I111-E115 PolarHBondContact O-N 3.22Å; E115-L118 PolarHBondContact O-N 3.07Å; E115-K119 WeakPolarHBondContact O-CB 3.26Å; E115-K119 WeakPolarHBondContact O-CD 3.19Å; E115-K119 WeakPolarHBondContact O-CG 3.49Å; E115-K119 PolarHBondContact O-N 3.32Å; E115-K119 IonicContact OE2-NZ 3.23Å; E115-K119 PolarHBondContact OE2-NZ 3.05Å
116	Y	85.5	Confident	84.4	Confident	65 Å²	65	96.1 Å²	96.1	26%	0.255	45%	0.449	S	S	.	.	H	α-helix	trans	-63.1	-46.3	179.1	-179.6	-89.8	0	0	0	111.1	K112 M113 L114 L118 K119 Q120 M139	K112-Y116 WeakPolarHBondContact O-CB 3.43Å; K112-Y116 PolarHBondContact O-N 3.06Å; K112-Y116 VanDerWaalsContact O-N 3.1Å; M113-Y116 PolarHBondContact O-N 2.75Å; L114-Y116 PolarHBondContact O-N 2.84Å; Y116-L118 PolarHBondContact O-N 3.43Å; Y116-K119 PolarHBondContact O-N 2.63Å; Y116-Q120 WeakPolarHBondContact O-CB 3.41Å; Y116-Q120 PolarHBondContact O-N 2.9Å; Y116-M139 HydrophobicContact CE2-SD 4.14Å
117	A	85.3	Confident	83.9	Confident	46 Å²	46	99 Å²	99	38%	0.38	46%	0.459	S	S	.	.	H	α-helix	trans	-60.8	-42.8	175.4	0	0	0	0	0	112.1	M113 L114 Q120 E121	M113-A117 WeakPolarHBondContact O-CB 3.43Å; M113-A117 PolarHBondContact O-N 2.88Å; L114-A117 PolarHBondContact O-N 3.03Å; A117-Q120 PolarHBondContact O-N 2.92Å; A117-E121 WeakPolarHBondContact O-CB 3.36Å; A117-E121 PolarHBondContact O-N 2.85Å
118	L	86.4	Confident	83.4	Confident	89 Å²	89	102.1 Å²	102.1	47%	0.466	48%	0.475	S	S	.	.	H	α-helix	trans	-66.5	-38.1	177.2	-176.5	63.9	0	0	0	112.3	L114 E115 Y116 R122	L114-L118 VanDerWaalsContact O-CB 3.25Å; L114-L118 WeakPolarHBondContact O-CB 3.07Å; L114-L118 PolarHBondContact O-N 3.03Å; E115-L118 PolarHBondContact O-N 3.07Å; Y116-L118 PolarHBondContact O-N 3.43Å; L118-R122 WeakPolarHBondContact O-CB 3.35Å; L118-R122 VanDerWaalsContact O-CG 3.24Å; L118-R122 WeakPolarHBondContact O-CG 3.29Å; L118-R122 PolarHBondContact O-N 3.34Å
119	K	84.1	Confident	82.7	Confident	101 Å²	101	104.6 Å²	104.6	44%	0.439	48%	0.481	S	S	.	.	H	α-helix	trans	-63.3	-42.4	172.2	-74.5	160.3	179	159.7	0	110.6	E115 Y116 R122 A123 M139	E115-K119 WeakPolarHBondContact O-CB 3.26Å; E115-K119 WeakPolarHBondContact O-CD 3.19Å; E115-K119 WeakPolarHBondContact O-CG 3.49Å; E115-K119 PolarHBondContact O-N 3.32Å; E115-K119 IonicContact OE2-NZ 3.23Å; E115-K119 PolarHBondContact OE2-NZ 3.05Å; Y116-K119 PolarHBondContact O-N 2.63Å; K119-R122 PolarHBondContact O-N 2.87Å; K119-A123 WeakPolarHBondContact O-CB 3.36Å; K119-A123 PolarHBondContact O-N 2.89Å; K119-M139 HydrophobicContact CB-CE 4.01Å
120	Q	81.4	Confident	82.2	Confident	112 Å²	112	105.9 Å²	105.9	52%	0.523	49%	0.487	S	S	.	.	H	α-helix	trans	-65.8	-44.1	177.1	-167.6	178.5	21	0	0	112.5	Y116 A117 A123 K124	Y116-Q120 WeakPolarHBondContact O-CB 3.41Å; Y116-Q120 PolarHBondContact O-N 2.9Å; A117-Q120 PolarHBondContact O-N 2.92Å; Q120-A123 PolarHBondContact O-N 3.49Å; Q120-K124 VanDerWaalsContact O-CB 3.3Å; Q120-K124 WeakPolarHBondContact O-CB 3.32Å; Q120-K124 PolarHBondContact O-N 3.03Å
121	E	82.9	Confident	81.2	Confident	114 Å²	114	102.5 Å²	102.5	53%	0.533	50%	0.496	S	S	.	.	H	α-helix	trans	-59.7	-47.7	172.8	-85.9	-90.3	103.5	0	0	111.7	A117 A123 K124 Y125	A117-E121 WeakPolarHBondContact O-CB 3.36Å; A117-E121 PolarHBondContact O-N 2.85Å; E121-A123 PolarHBondContact O-N 2.97Å; E121-K124 PolarHBondContact O-N 2.78Å; E121-K124 IonicContact OE1-NZ 2.8Å; E121-K124 PolarHBondContact OE1-NZ 2.77Å; E121-Y125 WeakPolarHBondContact O-CB 3.43Å; E121-Y125 PolarHBondContact O-N 2.95Å
122	R	82.3	Confident	80.2	Confident	171 Å²	171	101.7 Å²	101.7	65%	0.645	50%	0.496	S	S	*	.	H	α-helix	trans	-62	-42.4	178.1	-74.9	173	177	-169.6	-1.4	112.3	L118 K119 Y125 H126	L118-R122 WeakPolarHBondContact O-CB 3.35Å; L118-R122 VanDerWaalsContact O-CG 3.24Å; L118-R122 WeakPolarHBondContact O-CG 3.29Å; L118-R122 PolarHBondContact O-N 3.34Å; K119-R122 PolarHBondContact O-N 2.87Å; R122-Y125 PolarHBondContact O-N 2.76Å; R122-H126 WeakPolarHBondContact O-CB 3.26Å; R122-H126 PolarHBondContact O-N 2.89Å
123	A	77.7	Confident	79	Confident	31 Å²	31	103.4 Å²	103.4	26%	0.256	51%	0.506	S	S	.	.	H	α-helix	trans	-63.2	-43.5	175.3	0	0	0	0	0	112.2	K119 Q120 E121 H126 K127 M139	K119-A123 WeakPolarHBondContact O-CB 3.36Å; K119-A123 PolarHBondContact O-N 2.89Å; Q120-A123 PolarHBondContact O-N 3.49Å; E121-A123 PolarHBondContact O-N 2.97Å; A123-H126 PolarHBondContact O-N 3.2Å; A123-K127 WeakPolarHBondContact O-CB 3.21Å; A123-K127 PolarHBondContact O-N 3.23Å; A123-M139 HydrophobicContact CB-CE 4.36Å
124	K	80.6	Confident	77.7	Confident	127 Å²	127	101.8 Å²	101.8	55%	0.552	50%	0.499	S	S	*	.	H	α-helix	trans	-63.5	-44.8	176.1	177.3	-174.8	165.3	-155.4	0	112.2	Q120 E121 K127 L128	Q120-K124 VanDerWaalsContact O-CB 3.3Å; Q120-K124 WeakPolarHBondContact O-CB 3.32Å; Q120-K124 PolarHBondContact O-N 3.03Å; E121-K124 PolarHBondContact O-N 2.78Å; E121-K124 IonicContact OE1-NZ 2.8Å; E121-K124 PolarHBondContact OE1-NZ 2.77Å; K124-K127 PolarHBondContact O-N 3.06Å; K124-L128 PolarHBondContact O-N 3.28Å
125	Y	78.4	Confident	76.1	Confident	144 Å²	144	103.8 Å²	103.8	57%	0.565	51%	0.51	S	S	*	.	H	α-helix	trans	-64.1	-43.5	176.1	179	-94.2	0	0	0	111.8	E121 R122 K127 L128 K129	E121-Y125 WeakPolarHBondContact O-CB 3.43Å; E121-Y125 PolarHBondContact O-N 2.95Å; R122-Y125 PolarHBondContact O-N 2.76Å; Y125-K127 PolarHBondContact O-N 2.95Å; Y125-L128 PolarHBondContact O-N 3.09Å; Y125-K129 HydrophobicContact CD1-CD 4.45Å; Y125-K129 HydrophobicContact CE1-CB 4.47Å; Y125-K129 HydrophobicContact CE1-CD 3.54Å; Y125-K129 WeakPolarHBondContact O-CB 3.46Å; Y125-K129 PolarHBondContact O-N 3.44Å; Y125-K129 PolarHBondContact OH-NZ 3.23Å
126	H	76.8	Confident	74.7	Confident	49 Å²	49	105 Å²	105	23%	0.227	52%	0.516	C	S	.	.	H	α-helix	trans	-60	-47.1	175.4	-172.3	-73.5	0	0	0	111.7	R122 A123 L128 K129 Y130 T132 L134	R122-H126 WeakPolarHBondContact O-CB 3.26Å; R122-H126 PolarHBondContact O-N 2.89Å; A123-H126 PolarHBondContact O-N 3.2Å; H126-L128 VanDerWaalsContact C-N 3.28Å; H126-L128 PolarHBondContact O-N 3.05Å; H126-K129 PolarHBondContact O-N 3.05Å; H126-Y130 AromaticContact CD2-CD2 3.63Å; H126-Y130 AromaticContact CE1-CD2 3.92Å; H126-Y130 AromaticContact CG-CD2 3.88Å; H126-Y130 AromaticContact NE2-CD2 3.67Å; H126-Y130 PolarHBondContact O-N 3.48Å; H126-T132 PolarHBondContact ND1-O 3.02Å; H126-L134 HydrophobicContact CB-CD1 3.73Å; H126-L134 HydrophobicContact CB-CG 4.27Å
127	K	77.1	Confident	72.9	Confident	108 Å²	108	105.3 Å²	105.3	47%	0.47	54%	0.539	S	S	.	.	H	α-helix	trans	-58.9	-39.2	176.5	-175.7	174.9	178.4	172.6	0	112	A123 K124 Y125 G131 E133	A123-K127 WeakPolarHBondContact O-CB 3.21Å; A123-K127 PolarHBondContact O-N 3.23Å; K124-K127 PolarHBondContact O-N 3.06Å; Y125-K127 PolarHBondContact O-N 2.95Å; K127-G131 WeakPolarHBondContact O-CA 3.33Å; K127-G131 PolarHBondContact O-N 2.92Å; K127-E133 HydrophobicContact CD-CG 4.1Å; K127-E133 VanDerWaalsContact CE-OE1 3.25Å; K127-E133 WeakPolarHBondContact CE-OE1 3.39Å; K127-E133 HydrophobicContact CG-CG 4.46Å; K127-E133 IonicContact NZ-OE1 2.62Å; K127-E133 PolarHBondContact NZ-OE1 3.03Å
128	L	76.4	Confident	71.1	Confident	148 Å²	148	110.2 Å²	110.2	78%	0.775	56%	0.558	S	S	*	*	H	α-helix	trans	-68	-40	175.4	-118.8	70.9	0	0	0	113.2	K124 Y125 H126	K124-L128 PolarHBondContact O-N 3.28Å; Y125-L128 PolarHBondContact O-N 3.09Å; H126-L128 VanDerWaalsContact C-N 3.28Å; H126-L128 PolarHBondContact O-N 3.05Å
129	K	76.1	Confident	69.5	Low	113 Å²	113	110 Å²	110	49%	0.491	56%	0.556	S	S	.	*	H	α-helix	trans	-85.8	-32.6	-171.4	-174.2	172.1	179.5	-176.1	0	114.1	Y125 H126	Y125-K129 HydrophobicContact CD1-CD 4.45Å; Y125-K129 HydrophobicContact CE1-CB 4.47Å; Y125-K129 HydrophobicContact CE1-CD 3.54Å; Y125-K129 WeakPolarHBondContact O-CB 3.46Å; Y125-K129 PolarHBondContact O-N 3.44Å; Y125-K129 PolarHBondContact OH-NZ 3.23Å; H126-K129 PolarHBondContact O-N 3.05Å
130	Y	74.9	Confident	68.3	Low	131 Å²	131	112.7 Å²	112.7	51%	0.514	57%	0.568	S	S	.	*	H	α-helix	trans	-120.6	4.9	-172.6	-58.4	-76.3	0	0	0	113.9	H126 T132	H126-Y130 AromaticContact CD2-CD2 3.63Å; H126-Y130 AromaticContact CE1-CD2 3.92Å; H126-Y130 AromaticContact CG-CD2 3.88Å; H126-Y130 AromaticContact NE2-CD2 3.67Å; H126-Y130 PolarHBondContact O-N 3.48Å; Y130-T132 PolarHBondContact O-N 2.82Å; Y130-T132 PolarHBondContact O-OG1 3.1Å
131	G	65.8	Low	67	Low	71 Å²	71	113.6 Å²	113.6	73%	0.732	57%	0.574	S	S	*	*	S	Bend	trans	62.3	7.2	176.1	0	0	0	0	0	115.6	K127	K127-G131 WeakPolarHBondContact O-CA 3.33Å; K127-G131 PolarHBondContact O-N 2.92Å
132	T	69.1	Low	65.5	Low	80 Å²	80	110 Å²	110	49%	0.491	56%	0.561	S	S	.	*	S	Bend	trans	-127.5	138.3	-169.9	40.4	0	0	0	0	110.1	H126 Y130	H126-T132 PolarHBondContact ND1-O 3.02Å; Y130-T132 PolarHBondContact O-N 2.82Å; Y130-T132 PolarHBondContact O-OG1 3.1Å
133	E	61	Low	64.4	Low	142 Å²	142	108.3 Å²	108.3	66%	0.664	56%	0.563	S	S	*	*			trans	-81.7	129.2	177.8	-56.9	-162.8	134	0	0	110.1	K127 N135	K127-E133 HydrophobicContact CD-CG 4.1Å; K127-E133 VanDerWaalsContact CE-OE1 3.25Å; K127-E133 WeakPolarHBondContact CE-OE1 3.39Å; K127-E133 HydrophobicContact CG-CG 4.46Å; K127-E133 IonicContact NZ-OE1 2.62Å; K127-E133 PolarHBondContact NZ-OE1 3.03Å; E133-N135 PolarHBondContact O-N 3.32Å
134	L	56.8	Low	63.4	Low	77 Å²	77	110.8 Å²	110.8	40%	0.403	57%	0.568	S	S	.	*			trans	-70.7	111.1	171.7	-83.2	169.4	0	0	0	109.1	H126 Q136	H126-L134 HydrophobicContact CB-CD1 3.73Å; H126-L134 HydrophobicContact CB-CG 4.27Å; L134-Q136 HydrophobicContact CB-CG 4.46Å; L134-Q136 PolarHBondContact O-N 3.4Å
135	N	55.8	Low	61.6	Low	167 Å²	167	113.8 Å²	113.8	89%	0.893	58%	0.584	S	S	*	*			trans	-75.7	75.9	176	-164.8	13.3	0	0	0	110.5	E133	E133-N135 PolarHBondContact O-N 3.32Å
136	Q	53.8	Low	59.9	Low	119 Å²	119	111 Å²	111	56%	0.556	59%	0.585	S	S	*	*			trans	-103	124.2	171.1	-67.5	-179.1	2	0	0	108.3	L134	L134-Q136 HydrophobicContact CB-CG 4.46Å; L134-Q136 PolarHBondContact O-N 3.4Å
137	G	47.6	Very low	58	Low	72 Å²	72	117.3 Å²	117.3	74%	0.742	62%	0.621	S	S	*	*	S	Bend	trans	-60.8	141.1	-171.8	0	0	0	0	0	113.5	M139	G137-M139 PolarHBondContact O-N 2.97Å
138	D	47.3	Very low	56.1	Low	148 Å²	148	116.9 Å²	116.9	79%	0.791	63%	0.627	S	S	*	*			trans	26.8	85.5	172.6	-71.9	10.9	0	0	0	116.1	K140	D138-K140 PolarHBondContact O-N 2.78Å
139	M	54.8	Low	54.1	Low	85 Å²	85	119.8 Å²	119.8	42%	0.419	63%	0.634	S	S	.	*			trans	-62.5	69.9	161.4	-84.4	-85.9	-163.2	0	0	111.1	Y116 K119 A123 G137	Y116-M139 HydrophobicContact CE2-SD 4.14Å; K119-M139 HydrophobicContact CB-CE 4.01Å; A123-M139 HydrophobicContact CB-CE 4.36Å; G137-M139 PolarHBondContact O-N 2.97Å
140	K	58.3	Low	51.9	Low	157 Å²	157	123.5 Å²	123.5	68%	0.683	65%	0.653	S	S	*	*			trans	-85.6	130.1	174.9	-136.8	170.6	-173.6	175.3	0	108.9	D138	D138-K140 PolarHBondContact O-N 2.78Å
141	M	53.7	Low	49.7	Very low	132 Å²	132	122.7 Å²	122.7	65%	0.65	67%	0.667	S	S	*	*			trans	-57.6	141.4	172.4	-177.8	173.6	173.5	0	0	109.5	I143	M141-I143 PolarHBondContact O-N 2.85Å
142	P	51.6	Low	48.2	Very low	39 Å²	39	128.8 Å²	128.8	25%	0.253	68%	0.676	S	S	.	*			trans	-55.6	115.8	177	-26.2	35	0	0	0	111.1	F144	P142-F144 HydrophobicContact CB-CE1 4.11Å; P142-F144 HydrophobicContact CB-CE2 4.36Å; P142-F144 HydrophobicContact CB-CZ 3.88Å
143	I	58.3	Low	46.4	Very low	134 Å²	134	132 Å²	132	69%	0.687	70%	0.695	S	S	*	*			trans	-73.6	129.3	167.2	-62.3	175.9	0	0	0	106.4	M141	M141-I143 PolarHBondContact O-N 2.85Å
144	F	57.3	Low	44.9	Very low	83 Å²	83	130.9 Å²	130.9	36%	0.364	70%	0.703	S	S	.	*			trans	-105.4	107.8	173.3	-59.5	-67	0	0	0	107.4	R109 K112 P142 S146	R109-F144 HydrophobicContact CB-CE1 4.13Å; R109-F144 HydrophobicContact CB-CZ 4.32Å; R109-F144 HydrophobicContact CG-CD1 3.84Å; R109-F144 HydrophobicContact CG-CE1 3.62Å; R109-F144 HydrophobicContact CG-CZ 4.19Å; K112-F144 HydrophobicContact CD-CE1 4.35Å; P142-F144 HydrophobicContact CB-CE1 4.11Å; P142-F144 HydrophobicContact CB-CE2 4.36Å; P142-F144 HydrophobicContact CB-CZ 3.88Å; F144-S146 PolarHBondContact O-N 2.86Å
145	E	43.1	Very low	43.9	Very low	190 Å²	190	131.6 Å²	131.6	89%	0.888	72%	0.72	S	S	*	*			trans	-63.5	118.8	169.7	-70.2	169.6	-179.5	0	0	108.3
146	S	42.9	Very low	42.6	Very low	85 Å²	85	130.3 Å²	130.3	59%	0.594	72%	0.718	S	S	*	*			trans	-100.2	130.7	165.1	53	0	0	0	0	108.2	F144 T148	F144-S146 PolarHBondContact O-N 2.86Å; S146-T148 PolarHBondContact O-N 3.44Å; S146-T148 PolarHBondContact O-OG1 3.5Å; S146-T148 PolarHBondContact OG-OG1 3.15Å; S146-T148 VanDerWaalsContact OG-OG1 3.07Å
147	D	36.1	Very low	41.9	Very low	182 Å²	182	130.1 Å²	130.1	97%	0.973	73%	0.727	S	S	*	*	S	Bend	trans	-68.4	72.2	175.1	-78.7	-54.3	0	0	0	111.6
148	T	38.1	Very low	41.8	Very low	99 Å²	99	131.7 Å²	131.7	61%	0.607	73%	0.733	S	S	*	*			trans	-137.9	107	179.5	47.8	0	0	0	0	107.4	S146 E150	S146-T148 PolarHBondContact O-N 3.44Å; S146-T148 PolarHBondContact O-OG1 3.5Å; S146-T148 PolarHBondContact OG-OG1 3.15Å; S146-T148 VanDerWaalsContact OG-OG1 3.07Å; T148-E150 PolarHBondContact O-N 2.63Å
149	K	33.2	Very low	41.3	Very low	209 Å²	209	129.5 Å²	129.5	91%	0.909	72%	0.721	S	S	*	*			trans	-49.3	123.4	-175.3	-64.8	178.2	179.3	178.9	0	111.1
150	E	29.9	Very low	41.1	Very low	191 Å²	191	130.1 Å²	130.1	89%	0.893	73%	0.734	S	S	*	*			trans	-65.5	146.5	-178.6	-62.4	-169.4	134.4	0	0	112.2	T148	T148-E150 PolarHBondContact O-N 2.63Å
151	S	29.9	Very low	40.5	Very low	115 Å²	115	129.5 Å²	129.5	80%	0.804	73%	0.733	S	S	*	*			trans	-133.8	129.7	163.5	-63.1	0	0	0	0	107.7
152	E	33.7	Very low	40.3	Very low	198 Å²	198	128.1 Å²	128.1	93%	0.925	73%	0.728	S	S	*	*			trans	-65	134.9	-173.1	-56	178.2	115.2	0	0	112.4
153	V	32.4	Very low	40.3	Very low	147 Å²	147	132.7 Å²	132.7	89%	0.891	75%	0.748	S	S	*	*			trans	-141.5	136.1	149.7	-170.9	0	0	0	0	109.6
154	S	28	Very low	39.6	Very low	119 Å²	119	132.6 Å²	132.6	83%	0.832	74%	0.739	S	S	*	*			trans	-80.2	167.1	-176.3	-166.7	0	0	0	0	114.1
155	A	35.5	Very low	39.7	Very low	93 Å²	93	134.6 Å²	134.6	77%	0.769	75%	0.747	S	S	*	*			trans	-95.4	130	-167.2	0	0	0	0	0	115
156	V	30.1	Very low	40.6	Very low	140 Å²	140	131.4 Å²	131.4	85%	0.848	73%	0.732	S	S	*	*			trans	-141	141.7	167.9	179.2	0	0	0	0	108.1
157	P	38.7	Very low	41.8	Very low	115 Å²	115	129.2 Å²	129.2	75%	0.747	72%	0.724	S	S	*	*			trans	-98.1	157.7	-151.5	36.6	-37.7	0	0	0	117.7
158	A	45.9	Very low	43.1	Very low	104 Å²	104	127.8 Å²	127.8	86%	0.86	71%	0.705	S	S	*	*			trans	52.5	79.4	143.6	0	0	0	0	0	119.3
159	N	36.2	Very low	44.3	Very low	102 Å²	102	129.8 Å²	129.8	55%	0.545	71%	0.707	S	S	.	*			trans	-135.3	88.4	148.5	-161.9	-17	0	0	0	111.4	Q161 L162	N159-Q161 PolarHBondContact O-N 3.17Å; N159-Q161 VanDerWaalsContact O-N 3.14Å; N159-L162 PolarHBondContact O-N 3.23Å
160	S	50.4	Low	46.1	Very low	98 Å²	98	125 Å²	125	69%	0.685	69%	0.691	S	S	*	*	H	α-helix	trans	-61.1	-24.7	-170.3	53.9	0	0	0	0	114.4	L162 M163 W164	S160-L162 VanDerWaalsContact C-N 3.29Å; S160-L162 PolarHBondContact O-N 3.46Å; S160-M163 PolarHBondContact O-N 2.99Å; S160-W164 PolarHBondContact O-N 2.89Å
161	Q	45.7	Very low	47.5	Very low	144 Å²	144	120.9 Å²	120.9	67%	0.673	67%	0.674	S	S	*	*	H	α-helix	trans	-78.3	-10.9	-175.4	-141.2	177.2	28.3	0	0	114.2	N159 W164	N159-Q161 PolarHBondContact O-N 3.17Å; N159-Q161 VanDerWaalsContact O-N 3.14Å; Q161-W164 PolarHBondContact O-NE1 3.22Å
162	L	50.4	Low	49	Very low	104 Å²	104	121.2 Å²	121.2	55%	0.545	66%	0.658	S	S	.	*	H	α-helix	trans	-92.7	-46	168	-79.8	152.5	0	0	0	111.3	N159 S160 W164 K165 Q166	N159-L162 PolarHBondContact O-N 3.23Å; S160-L162 VanDerWaalsContact C-N 3.29Å; S160-L162 PolarHBondContact O-N 3.46Å; L162-W164 VanDerWaalsContact C-N 3.34Å; L162-W164 PolarHBondContact O-N 2.76Å; L162-K165 WeakPolarHBondContact O-CB 3.38Å; L162-K165 PolarHBondContact O-N 2.96Å; L162-Q166 PolarHBondContact O-N 3.11Å; L162-Q166 VanDerWaalsContact O-N 3.08Å
163	M	50.3	Low	50.3	Low	134 Å²	134	117 Å²	117	66%	0.66	64%	0.638	S	S	*	*	H	α-helix	trans	-52.2	-46.4	178.2	-75.7	-69.2	-72.5	0	0	113	S160 K165 Q166 G167	S160-M163 PolarHBondContact O-N 2.99Å; M163-K165 VanDerWaalsContact C-N 3.31Å; M163-K165 PolarHBondContact O-N 3.29Å; M163-Q166 PolarHBondContact O-N 3.32Å; M163-G167 PolarHBondContact O-N 2.94Å
164	W	43.3	Very low	51.3	Low	132 Å²	132	117 Å²	117	50%	0.5	62%	0.623	S	S	.	*	H	α-helix	trans	-68.4	-28.5	179.9	90.8	-70.1	0	0	0	113	S160 Q161 L162 R168	S160-W164 PolarHBondContact O-N 2.89Å; Q161-W164 PolarHBondContact O-NE1 3.22Å; L162-W164 VanDerWaalsContact C-N 3.34Å; L162-W164 PolarHBondContact O-N 2.76Å; W164-R168 VanDerWaalsContact O-CB 3.22Å; W164-R168 WeakPolarHBondContact O-CB 3.38Å; W164-R168 PolarHBondContact O-N 3Å
165	K	59.7	Low	52.8	Low	126 Å²	126	114.1 Å²	114.1	55%	0.548	60%	0.598	S	S	.	*	H	α-helix	trans	-69.4	-49	175.3	-72.7	-173	177.4	-178.1	0	110.3	L162 M163 G167 R168 Q169	L162-K165 WeakPolarHBondContact O-CB 3.38Å; L162-K165 PolarHBondContact O-N 2.96Å; M163-K165 VanDerWaalsContact C-N 3.31Å; M163-K165 PolarHBondContact O-N 3.29Å; K165-G167 PolarHBondContact O-N 2.67Å; K165-R168 PolarHBondContact O-N 3.05Å; K165-Q169 WeakPolarHBondContact O-CB 3.17Å; K165-Q169 PolarHBondContact O-N 3.09Å
166	Q	62.3	Low	54	Low	122 Å²	122	115.4 Å²	115.4	57%	0.57	59%	0.588	S	S	*	*	H	α-helix	trans	-60	-45.8	176	-72.1	171.9	-50.1	0	0	111.1	L162 M163 R168 Q169 L170	L162-Q166 PolarHBondContact O-N 3.11Å; L162-Q166 VanDerWaalsContact O-N 3.08Å; M163-Q166 PolarHBondContact O-N 3.32Å; Q166-R168 VanDerWaalsContact C-N 3.34Å; Q166-R168 PolarHBondContact O-N 2.94Å; Q166-Q169 PolarHBondContact O-N 2.83Å; Q166-Q169 VanDerWaalsContact O-N 3.14Å; Q166-L170 WeakPolarHBondContact O-CB 3.41Å; Q166-L170 PolarHBondContact O-N 2.92Å
167	G	68.1	Low	55.5	Low	40 Å²	40	115 Å²	115	41%	0.412	58%	0.577	S	S	.	*	H	α-helix	trans	-60.4	-38.4	174.6	0	0	0	0	0	113.6	M163 K165 Q169 L171	M163-G167 PolarHBondContact O-N 2.94Å; K165-G167 PolarHBondContact O-N 2.67Å; G167-Q169 VanDerWaalsContact C-N 3.34Å; G167-L171 VanDerWaalsContact O-CB 3.24Å; G167-L171 WeakPolarHBondContact O-CB 3.48Å; G167-L171 PolarHBondContact O-N 2.92Å
168	R	62.6	Low	56.4	Low	152 Å²	152	114.1 Å²	114.1	57%	0.574	57%	0.569	S	S	*	*	H	α-helix	trans	-72.9	-26.4	176.4	-154.8	174.7	-163.6	-168.3	3.1	112.8	W164 K165 Q166 R172	W164-R168 VanDerWaalsContact O-CB 3.22Å; W164-R168 WeakPolarHBondContact O-CB 3.38Å; W164-R168 PolarHBondContact O-N 3Å; K165-R168 PolarHBondContact O-N 3.05Å; Q166-R168 VanDerWaalsContact C-N 3.34Å; Q166-R168 PolarHBondContact O-N 2.94Å; R168-R172 WeakPolarHBondContact O-CG 3.4Å; R168-R172 PolarHBondContact O-N 3.2Å
169	Q	64.9	Low	56.7	Low	140 Å²	140	111.2 Å²	111.2	65%	0.654	55%	0.549	S	S	*	.	H	α-helix	trans	-80.5	-41	176.7	-163.4	161.9	-3.6	0	0	111.1	K165 Q166 G167 R172 Q173	K165-Q169 WeakPolarHBondContact O-CB 3.17Å; K165-Q169 PolarHBondContact O-N 3.09Å; Q166-Q169 PolarHBondContact O-N 2.83Å; Q166-Q169 VanDerWaalsContact O-N 3.14Å; G167-Q169 VanDerWaalsContact C-N 3.34Å; Q169-R172 WeakPolarHBondContact O-CB 3.48Å; Q169-R172 PolarHBondContact O-N 2.88Å; Q169-Q173 PolarHBondContact O-N 3.45Å
170	L	69.9	Low	57.6	Low	110 Å²	110	110.9 Å²	110.9	58%	0.576	54%	0.541	S	S	*	.	H	α-helix	trans	-62.3	-42.7	169.8	-170.7	68.2	0	0	0	111.3	Q166 R172 Q173 Y174	Q166-L170 WeakPolarHBondContact O-CB 3.41Å; Q166-L170 PolarHBondContact O-N 2.92Å; L170-R172 VanDerWaalsContact C-N 3.3Å; L170-R172 PolarHBondContact O-N 3.3Å; L170-Q173 PolarHBondContact O-N 2.74Å; L170-Y174 WeakPolarHBondContact O-CB 3.33Å; L170-Y174 PolarHBondContact O-N 2.7Å
171	L	59.7	Low	58.4	Low	104 Å²	104	108.6 Å²	108.6	55%	0.545	52%	0.524	S	S	.	.	H	α-helix	trans	-61.9	-35.9	174.6	-177.3	65.1	0	0	0	112.5	G167 L175	G167-L171 VanDerWaalsContact O-CB 3.24Å; G167-L171 WeakPolarHBondContact O-CB 3.48Å; G167-L171 PolarHBondContact O-N 2.92Å; L171-L175 HydrophobicContact CG-CD1 4.24Å; L171-L175 WeakPolarHBondContact O-CB 3.34Å; L171-L175 WeakPolarHBondContact O-CD1 3.46Å; L171-L175 VanDerWaalsContact O-CG 3.28Å; L171-L175 WeakPolarHBondContact O-CG 3.49Å; L171-L175 PolarHBondContact O-N 2.91Å
172	R	61	Low	58.9	Low	122 Å²	122	105.1 Å²	105.1	46%	0.46	51%	0.51	S	S	.	.	H	α-helix	trans	-65.5	-44.3	173.1	-81.3	174.7	153.5	-72.5	-5.5	111.7	R168 Q169 L170 L175 Q176 D182	R168-R172 WeakPolarHBondContact O-CG 3.4Å; R168-R172 PolarHBondContact O-N 3.2Å; Q169-R172 WeakPolarHBondContact O-CB 3.48Å; Q169-R172 PolarHBondContact O-N 2.88Å; L170-R172 VanDerWaalsContact C-N 3.3Å; L170-R172 PolarHBondContact O-N 3.3Å; R172-L175 PolarHBondContact O-N 3.2Å; R172-Q176 WeakPolarHBondContact O-CB 3.4Å; R172-Q176 PolarHBondContact O-N 3.47Å; R172-D182 IonicContact CZ-OD1 3.38Å; R172-D182 IonicContact NH1-OD1 2.73Å; R172-D182 PolarHBondContact NH1-OD1 2.83Å; R172-D182 IonicContact NH1-OD2 2.86Å; R172-D182 PolarHBondContact NH1-OD2 3.16Å; R172-D182 IonicContact NH2-OD1 3.1Å; R172-D182 PolarHBondContact NH2-OD1 2.92Å; R172-D182 VanDerWaalsContact NH2-OD1 3.1Å
173	Q	61.4	Low	59.3	Low	108 Å²	108	104.8 Å²	104.8	51%	0.505	51%	0.512	S	S	.	.	H	α-helix	trans	-63.2	-44.7	176.1	-174.9	170.7	-18.2	0	0	111.7	Q169 L170 L175 Q176 E177	Q169-Q173 PolarHBondContact O-N 3.45Å; L170-Q173 PolarHBondContact O-N 2.74Å; Q173-L175 PolarHBondContact O-N 3.2Å; Q173-Q176 PolarHBondContact O-N 3.41Å; Q173-Q176 VanDerWaalsContact O-N 3.13Å; Q173-E177 PolarHBondContact NE2-OE1 2.71Å; Q173-E177 VanDerWaalsContact NE2-OE1 3.09Å; Q173-E177 WeakPolarHBondContact O-CG 3.29Å; Q173-E177 PolarHBondContact O-N 2.83Å
174	Y	54	Low	59.8	Low	149 Å²	149	101.9 Å²	101.9	58%	0.584	50%	0.498	S	S	*	.	H	α-helix	trans	-62.4	-40.2	176.5	-131.9	-90.1	0	0	0	112.5	L170 Q176 V178	L170-Y174 WeakPolarHBondContact O-CB 3.33Å; L170-Y174 PolarHBondContact O-N 2.7Å; Y174-Q176 VanDerWaalsContact C-N 3.35Å; Y174-V178 HydrophobicContact CD1-CG2 4.41Å; Y174-V178 WeakPolarHBondContact O-CB 3.43Å; Y174-V178 VanDerWaalsContact O-CG2 3.24Å; Y174-V178 WeakPolarHBondContact O-CG2 3.26Å; Y174-V178 PolarHBondContact O-N 3.37Å
175	L	57.8	Low	60.7	Low	58 Å²	58	98.5 Å²	98.5	30%	0.304	49%	0.49	S	S	.	.	H	α-helix	trans	-62.8	-42.3	173	-78.8	166.3	0	0	0	111.3	L171 R172 Q173 V178 G179 Y180	L171-L175 HydrophobicContact CG-CD1 4.24Å; L171-L175 WeakPolarHBondContact O-CB 3.34Å; L171-L175 WeakPolarHBondContact O-CD1 3.46Å; L171-L175 VanDerWaalsContact O-CG 3.28Å; L171-L175 WeakPolarHBondContact O-CG 3.49Å; L171-L175 PolarHBondContact O-N 2.91Å; R172-L175 PolarHBondContact O-N 3.2Å; Q173-L175 PolarHBondContact O-N 3.2Å; L175-V178 CarbonylContact O-C 3.43Å; L175-V178 PolarHBondContact O-N 3.39Å; L175-G179 PolarHBondContact O-N 3.3Å; L175-G179 VanDerWaalsContact O-N 3.17Å; L175-Y180 HydrophobicContact CD2-CD2 4.22Å; L175-Y180 HydrophobicContact CD2-CG 4.36Å; L175-Y180 WeakPolarHBondContact O-CA 3.07Å; L175-Y180 WeakPolarHBondContact O-CB 3.33Å; L175-Y180 PolarHBondContact O-N 3.19Å
176	Q	62.1	Low	60.7	Low	120 Å²	120	97.5 Å²	97.5	56%	0.561	49%	0.49	S	S	*	.	H	α-helix	trans	-67.3	-39.3	178.9	-171.1	169.5	-4.5	0	0	112.6	R172 Q173 Y174 V178 G179	R172-Q176 WeakPolarHBondContact O-CB 3.4Å; R172-Q176 PolarHBondContact O-N 3.47Å; Q173-Q176 PolarHBondContact O-N 3.41Å; Q173-Q176 VanDerWaalsContact O-N 3.13Å; Y174-Q176 VanDerWaalsContact C-N 3.35Å; Q176-V178 VanDerWaalsContact C-N 3.32Å; Q176-G179 PolarHBondContact O-N 3.36Å
177	E	60.5	Low	60.6	Low	130 Å²	130	95.9 Å²	95.9	61%	0.607	49%	0.489	S	S	*	.	H	α-helix	trans	-66.1	-31.5	172.5	-73.7	170	-175.6	0	0	112.3	Q173 G179	Q173-E177 PolarHBondContact NE2-OE1 2.71Å; Q173-E177 VanDerWaalsContact NE2-OE1 3.09Å; Q173-E177 WeakPolarHBondContact O-CG 3.29Å; Q173-E177 PolarHBondContact O-N 2.83Å; E177-G179 PolarHBondContact O-N 3.08Å
178	V	58.1	Low	60	Low	97 Å²	97	101.1 Å²	101.1	59%	0.588	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	6.9	171.7	176.8	0	0	0	0	112.2	Y174 L175 Q176 Y180	Y174-V178 HydrophobicContact CD1-CG2 4.41Å; Y174-V178 WeakPolarHBondContact O-CB 3.43Å; Y174-V178 VanDerWaalsContact O-CG2 3.24Å; Y174-V178 WeakPolarHBondContact O-CG2 3.26Å; Y174-V178 PolarHBondContact O-N 3.37Å; L175-V178 CarbonylContact O-C 3.43Å; L175-V178 PolarHBondContact O-N 3.39Å; Q176-V178 VanDerWaalsContact C-N 3.32Å; V178-Y180 HydrophobicContact CG1-CD2 4.42Å
179	G	51.8	Low	60.2	Low	43 Å²	43	96.6 Å²	96.6	44%	0.443	49%	0.485	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.9	1.8	174.6	0	0	0	0	0	115.7	L175 Q176 E177 T181 I184	L175-G179 PolarHBondContact O-N 3.3Å; L175-G179 VanDerWaalsContact O-N 3.17Å; Q176-G179 PolarHBondContact O-N 3.36Å; E177-G179 PolarHBondContact O-N 3.08Å; G179-T181 VanDerWaalsContact C-N 3.33Å; G179-T181 PolarHBondContact O-N 3.06Å; G179-T181 VanDerWaalsContact O-N 3.11Å; G179-I184 WeakPolarHBondContact O-CD1 3.08Å
180	Y	55.9	Low	59.8	Low	95 Å²	95	96.3 Å²	96.3	37%	0.373	48%	0.484	S	S	.	.			trans	-82.2	75.8	170.1	-79.6	-74	0	0	0	111.1	L175 V178 I184	L175-Y180 HydrophobicContact CD2-CD2 4.22Å; L175-Y180 HydrophobicContact CD2-CG 4.36Å; L175-Y180 WeakPolarHBondContact O-CA 3.07Å; L175-Y180 WeakPolarHBondContact O-CB 3.33Å; L175-Y180 PolarHBondContact O-N 3.19Å; V178-Y180 HydrophobicContact CG1-CD2 4.42Å; Y180-I184 HydrophobicContact CD1-CG2 3.76Å; Y180-I184 HydrophobicContact CE1-CG2 4Å
181	T	66.8	Low	59.3	Low	51 Å²	51	96.4 Å²	96.4	31%	0.313	48%	0.477	S	S	.	.			trans	-64.2	154.2	169.1	53.6	0	0	0	0	111.6	G179 T183 I184 L185	G179-T181 VanDerWaalsContact C-N 3.33Å; G179-T181 PolarHBondContact O-N 3.06Å; G179-T181 VanDerWaalsContact O-N 3.11Å; T181-T183 PolarHBondContact O-N 2.83Å; T181-T183 VanDerWaalsContact O-N 3.09Å; T181-T183 PolarHBondContact OG1-OG1 2.9Å; T181-I184 PolarHBondContact O-N 2.88Å; T181-L185 PolarHBondContact O-N 2.92Å
182	D	56.7	Low	59.4	Low	71 Å²	71	95 Å²	95	38%	0.38	47%	0.472	S	S	.	.	H	α-helix	trans	-54.7	-31.2	177.4	-83.7	-68	0	0	0	112.5	R172 I184 L185 D186	R172-D182 IonicContact CZ-OD1 3.38Å; R172-D182 IonicContact NH1-OD1 2.73Å; R172-D182 PolarHBondContact NH1-OD1 2.83Å; R172-D182 IonicContact NH1-OD2 2.86Å; R172-D182 PolarHBondContact NH1-OD2 3.16Å; R172-D182 IonicContact NH2-OD1 3.1Å; R172-D182 PolarHBondContact NH2-OD1 2.92Å; R172-D182 VanDerWaalsContact NH2-OD1 3.1Å; D182-I184 VanDerWaalsContact C-N 3.31Å; D182-I184 PolarHBondContact O-N 3.31Å; D182-L185 PolarHBondContact O-N 3.3Å; D182-L185 VanDerWaalsContact O-N 3.12Å; D182-D186 PolarHBondContact O-N 2.92Å
183	T	58.3	Low	59.4	Low	96 Å²	96	96.1 Å²	96.1	59%	0.589	48%	0.476	S	S	*	.	H	α-helix	trans	-58.1	-37.5	173.6	49.2	0	0	0	0	113.7	T181 V187	T181-T183 PolarHBondContact O-N 2.83Å; T181-T183 VanDerWaalsContact O-N 3.09Å; T181-T183 PolarHBondContact OG1-OG1 2.9Å; T183-V187 WeakPolarHBondContact O-CB 3.2Å; T183-V187 VanDerWaalsContact O-CG2 3.29Å; T183-V187 WeakPolarHBondContact O-CG2 3.32Å; T183-V187 PolarHBondContact O-N 2.78Å
184	I	61.3	Low	59.4	Low	74 Å²	74	94.4 Å²	94.4	38%	0.379	48%	0.476	S	S	.	.	H	α-helix	trans	-74.6	-35	177.1	-67.8	170.7	0	0	0	110.3	G179 Y180 T181 D182 R188	G179-I184 WeakPolarHBondContact O-CD1 3.08Å; Y180-I184 HydrophobicContact CD1-CG2 3.76Å; Y180-I184 HydrophobicContact CE1-CG2 4Å; T181-I184 PolarHBondContact O-N 2.88Å; D182-I184 VanDerWaalsContact C-N 3.31Å; D182-I184 PolarHBondContact O-N 3.31Å; I184-R188 VanDerWaalsContact O-CB 3.23Å; I184-R188 WeakPolarHBondContact O-CB 3.14Å; I184-R188 PolarHBondContact O-N 2.89Å
185	L	61	Low	59.6	Low	61 Å²	61	93.8 Å²	93.8	32%	0.319	48%	0.482	S	S	.	.	H	α-helix	trans	-67.9	-40.5	174.5	-69.3	173	0	0	0	112	T181 D182 R188 T189	T181-L185 PolarHBondContact O-N 2.92Å; D182-L185 PolarHBondContact O-N 3.3Å; D182-L185 VanDerWaalsContact O-N 3.12Å; L185-R188 PolarHBondContact O-N 2.95Å; L185-T189 VanDerWaalsContact O-CB 3.26Å; L185-T189 WeakPolarHBondContact O-CB 3.26Å; L185-T189 PolarHBondContact O-N 2.87Å; L185-T189 PolarHBondContact O-OG1 3.14Å
186	D	59.9	Low	59.7	Low	105 Å²	105	96.7 Å²	96.7	56%	0.561	50%	0.498	S	S	*	.	H	α-helix	trans	-67.1	-47.6	175.3	-87	-26.2	0	0	0	111.7	D182 R188 T189 Q190	D182-D186 PolarHBondContact O-N 2.92Å; D186-R188 VanDerWaalsContact C-N 3.27Å; D186-R188 PolarHBondContact O-N 2.82Å; D186-T189 PolarHBondContact O-N 2.84Å; D186-T189 VanDerWaalsContact O-N 3.14Å; D186-Q190 VanDerWaalsContact O-CB 3.27Å; D186-Q190 WeakPolarHBondContact O-CB 3.4Å; D186-Q190 PolarHBondContact O-N 2.89Å
187	V	60.4	Low	59.1	Low	88 Å²	88	94 Å²	94	53%	0.533	50%	0.501	S	S	.	.	H	α-helix	trans	-56.9	-42.2	174.4	167.7	0	0	0	0	111.2	T183 R191	T183-V187 WeakPolarHBondContact O-CB 3.2Å; T183-V187 VanDerWaalsContact O-CG2 3.29Å; T183-V187 WeakPolarHBondContact O-CG2 3.32Å; T183-V187 PolarHBondContact O-N 2.78Å; V187-R191 WeakPolarHBondContact O-CB 3.48Å; V187-R191 PolarHBondContact O-N 3.44Å
188	R	55.6	Low	59.1	Low	149 Å²	149	93.9 Å²	93.9	56%	0.562	51%	0.505	S	S	*	.	H	α-helix	trans	-69.3	-38.5	177.8	-159.6	173.3	-167.3	172.5	4.3	111.9	I184 L185 D186 V192	I184-R188 VanDerWaalsContact O-CB 3.23Å; I184-R188 WeakPolarHBondContact O-CB 3.14Å; I184-R188 PolarHBondContact O-N 2.89Å; L185-R188 PolarHBondContact O-N 2.95Å; D186-R188 VanDerWaalsContact C-N 3.27Å; D186-R188 PolarHBondContact O-N 2.82Å; R188-V192 WeakPolarHBondContact O-CB 3.4Å; R188-V192 VanDerWaalsContact O-CG2 3.26Å; R188-V192 WeakPolarHBondContact O-CG2 3.27Å; R188-V192 PolarHBondContact O-N 2.91Å
189	T	67	Low	58.3	Low	58 Å²	58	93.4 Å²	93.4	36%	0.356	51%	0.505	S	S	.	.	H	α-helix	trans	-68.7	-42	177.4	-59.7	0	0	0	0	111.7	L185 D186 V192 R193	L185-T189 VanDerWaalsContact O-CB 3.26Å; L185-T189 WeakPolarHBondContact O-CB 3.26Å; L185-T189 PolarHBondContact O-N 2.87Å; L185-T189 PolarHBondContact O-OG1 3.14Å; D186-T189 PolarHBondContact O-N 2.84Å; D186-T189 VanDerWaalsContact O-N 3.14Å; T189-V192 PolarHBondContact O-N 2.8Å; T189-R193 WeakPolarHBondContact O-CG 3.46Å; T189-R193 PolarHBondContact O-N 3.25Å
190	Q	56.5	Low	57.7	Low	134 Å²	134	94.8 Å²	94.8	63%	0.626	52%	0.519	S	S	*	.	H	α-helix	trans	-67.6	-40.1	177.1	-168.3	167.8	2.4	0	0	111.2	D186 R193 S194	D186-Q190 VanDerWaalsContact O-CB 3.27Å; D186-Q190 WeakPolarHBondContact O-CB 3.4Å; D186-Q190 PolarHBondContact O-N 2.89Å; Q190-R193 PolarHBondContact O-N 2.84Å; Q190-S194 WeakPolarHBondContact O-CB 3.46Å; Q190-S194 PolarHBondContact O-N 3.43Å
191	R	59.8	Low	56.6	Low	112 Å²	112	95.7 Å²	95.7	42%	0.423	54%	0.54	S	S	.	.	H	α-helix	trans	-66.8	-35.1	172.7	-172.9	167.8	169.1	-165.1	-9	112.8	V187 S194 L195	V187-R191 WeakPolarHBondContact O-CB 3.48Å; V187-R191 PolarHBondContact O-N 3.44Å; R191-S194 PolarHBondContact O-N 3.05Å; R191-L195 HydrophobicContact CG-CD1 4.26Å; R191-L195 WeakPolarHBondContact O-CB 3.35Å; R191-L195 WeakPolarHBondContact O-CG 3.26Å; R191-L195 PolarHBondContact O-N 3.05Å
192	V	60.7	Low	55.1	Low	74 Å²	74	101.9 Å²	101.9	45%	0.448	57%	0.565	S	S	.	*	H	α-helix	trans	-68.2	-42	171.7	165.4	0	0	0	0	111.7	R188 T189 S194 L195 L196	R188-V192 WeakPolarHBondContact O-CB 3.4Å; R188-V192 VanDerWaalsContact O-CG2 3.26Å; R188-V192 WeakPolarHBondContact O-CG2 3.27Å; R188-V192 PolarHBondContact O-N 2.91Å; T189-V192 PolarHBondContact O-N 2.8Å; V192-S194 VanDerWaalsContact C-N 3.29Å; V192-S194 PolarHBondContact O-N 2.72Å; V192-L195 PolarHBondContact O-N 2.67Å; V192-L196 HydrophobicContact CG1-CD1 3.83Å; V192-L196 HydrophobicContact CG1-CG 4.49Å; V192-L196 WeakPolarHBondContact O-CB 3.47Å; V192-L196 VanDerWaalsContact O-CG 3.32Å; V192-L196 WeakPolarHBondContact O-CG 3.43Å; V192-L196 PolarHBondContact O-N 3.43Å
193	R	62.4	Low	54	Low	146 Å²	146	107.1 Å²	107.1	55%	0.551	59%	0.587	S	S	*	*	H	α-helix	trans	-60.8	-38.6	172.9	-71.5	176.7	-168.8	153.3	6.4	112.1	T189 Q190 L196 G197 L198	T189-R193 WeakPolarHBondContact O-CG 3.46Å; T189-R193 PolarHBondContact O-N 3.25Å; Q190-R193 PolarHBondContact O-N 2.84Å; R193-L196 PolarHBondContact O-N 3.24Å; R193-G197 PolarHBondContact O-N 2.98Å; R193-L198 PolarHBondContact O-N 2.97Å
194	S	60.6	Low	52.6	Low	71 Å²	71	109.9 Å²	109.9	50%	0.497	60%	0.599	S	S	.	*	H	α-helix	trans	-67.7	-45	175.4	-179.8	0	0	0	0	112.5	Q190 R191 V192 L196 G197	Q190-S194 WeakPolarHBondContact O-CB 3.46Å; Q190-S194 PolarHBondContact O-N 3.43Å; R191-S194 PolarHBondContact O-N 3.05Å; V192-S194 VanDerWaalsContact C-N 3.29Å; V192-S194 PolarHBondContact O-N 2.72Å; S194-L196 PolarHBondContact O-N 2.9Å; S194-G197 PolarHBondContact O-N 2.85Å
195	L	59.3	Low	51	Low	137 Å²	137	110.1 Å²	110.1	72%	0.717	62%	0.619	S	S	*	*	H	α-helix	trans	-63.7	-25.9	174.5	-78.1	164.1	0	0	0	113.5	R191 V192 G197	R191-L195 HydrophobicContact CG-CD1 4.26Å; R191-L195 WeakPolarHBondContact O-CB 3.35Å; R191-L195 WeakPolarHBondContact O-CG 3.26Å; R191-L195 PolarHBondContact O-N 3.05Å; V192-L195 PolarHBondContact O-N 2.67Å; L195-G197 VanDerWaalsContact C-N 3.35Å
196	L	58.4	Low	49.3	Very low	119 Å²	119	112.1 Å²	112.1	62%	0.623	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.5	5.5	173.5	-67.5	171.1	0	0	0	113.4	V192 R193 S194 L198	V192-L196 HydrophobicContact CG1-CD1 3.83Å; V192-L196 HydrophobicContact CG1-CG 4.49Å; V192-L196 WeakPolarHBondContact O-CB 3.47Å; V192-L196 VanDerWaalsContact O-CG 3.32Å; V192-L196 WeakPolarHBondContact O-CG 3.43Å; V192-L196 PolarHBondContact O-N 3.43Å; R193-L196 PolarHBondContact O-N 3.24Å; S194-L196 PolarHBondContact O-N 2.9Å; L196-L198 HydrophobicContact CB-CD1 4.32Å; L196-L198 HydrophobicContact CB-CG 4.33Å; L196-L198 PolarHBondContact O-N 2.98Å
197	G	49.2	Very low	47.7	Very low	62 Å²	62	115.1 Å²	115.1	64%	0.639	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	70.7	8.6	178.9	0	0	0	0	0	115.5	R193 S194 L195 S199	R193-G197 PolarHBondContact O-N 2.98Å; S194-G197 PolarHBondContact O-N 2.85Å; L195-G197 VanDerWaalsContact C-N 3.35Å; G197-S199 VanDerWaalsContact C-N 3.25Å; G197-S199 PolarHBondContact O-N 2.93Å
198	L	60.9	Low	46.2	Very low	129 Å²	129	118.4 Å²	118.4	68%	0.675	66%	0.66	S	S	*	*			trans	-88.7	22.5	-175.8	-61.5	175.6	0	0	0	113.2	R193 L196 G200	R193-L198 PolarHBondContact O-N 2.97Å; L196-L198 HydrophobicContact CB-CD1 4.32Å; L196-L198 HydrophobicContact CB-CG 4.33Å; L196-L198 PolarHBondContact O-N 2.98Å; L198-G200 PolarHBondContact O-N 3.4Å
199	S	42.4	Very low	44.8	Very low	86 Å²	86	117.9 Å²	117.9	60%	0.601	67%	0.669	S	S	*	*			trans	-92.8	73.7	-174.6	55.2	0	0	0	0	112.7	G197	G197-S199 VanDerWaalsContact C-N 3.25Å; G197-S199 PolarHBondContact O-N 2.93Å
200	G	38.3	Very low	43.1	Very low	72 Å²	72	123.6 Å²	123.6	74%	0.742	69%	0.689	S	S	*	*			trans	165.3	80.9	165.6	0	0	0	0	0	118.5	L198	L198-G200 PolarHBondContact O-N 3.4Å
201	S	33.9	Very low	41.7	Very low	115 Å²	115	123.8 Å²	123.8	80%	0.804	69%	0.694	S	S	*	*			trans	-162.7	139.5	135.7	55.2	0	0	0	0	112.8
202	E	34.3	Very low	40.1	Very low	181 Å²	181	124.7 Å²	124.7	85%	0.846	71%	0.707	S	S	*	*			trans	49.3	117.4	159.5	-47.4	-152.2	138.6	0	0	121.6
203	Q	34.5	Very low	38.5	Very low	180 Å²	180	128.3 Å²	128.3	84%	0.841	72%	0.719	S	S	*	*	S	Bend	trans	-75.3	136.8	143	-78.5	-177.6	-20.2	0	0	109.7
204	N	28.4	Very low	36.8	Very low	155 Å²	155	128.7 Å²	128.7	83%	0.829	73%	0.727	S	S	*	*			trans	102.9	141.1	169.1	-57.9	-50.9	0	0	0	115
205	G	27.1	Very low	35.1	Very low	78 Å²	78	131.3 Å²	131.3	80%	0.804	73%	0.734	S	S	*	*			trans	129.7	103.1	169.5	0	0	0	0	0	114.5
206	S	25.8	Very low	33.6	Very low	104 Å²	104	131 Å²	131	73%	0.727	73%	0.732	S	S	*	*			trans	-46.6	141.8	165	179.1	0	0	0	0	115.7
207	M	27	Very low	32	Very low	168 Å²	168	132.4 Å²	132.4	83%	0.828	74%	0.74	S	S	*	*			trans	82.8	145.8	144.1	-87.8	178	-180	0	0	123.3
208	E	27.9	Very low	30.8	Very low	156 Å²	156	132.6 Å²	132.6	73%	0.729	74%	0.742	S	S	*	*			trans	67.3	95.7	150.8	-66.1	-160.8	150.2	0	0	124.4
209	N	27.1	Very low	29.1	Very low	139 Å²	139	132.5 Å²	132.5	74%	0.743	75%	0.747	S	S	*	*				57.3	141.5	103.4	-127.6	-16.2	0	0	0	122
210	K	30.5	Very low	28.3	Very low	178 Å²	178	135 Å²	135	77%	0.774	75%	0.749	S	S	*	*			trans	79.3	158.5	168.9	-55.2	157.6	-174.1	158.3	0	116.7
211	N	26.2	Very low	27.7	Very low	138 Å²	138	141 Å²	141	74%	0.738	75%	0.75	S	S	*	*			cis	-172.4	162.9	-36.4	-161.7	4.9	0	0	0	108.5
212	L	26.6	Very low	27.1	Very low	131 Å²	131	141 Å²	141	69%	0.686	75%	0.748	S	S	*	*			trans	63.1	167.4	169.4	-91.2	71.5	0	0	0	116.2
213	Q	26.8	Very low	26.7	Very low	149 Å²	149	142 Å²	142	70%	0.696	75%	0.749	S	S	*	*			cis	-166.4	171.2	-40.7	-127.3	178.4	-14.6	0	0	109.6
214	H	26.8	Very low	26.2	Very low	155 Å²	155	141.7 Å²	141.7	72%	0.718	75%	0.748	S	S	*	*			trans	68.3	164.8	161.1	-84.3	-136.9	0	0	0	118.8
215	L	26	Very low	26.5	Very low	125 Å²	125	139.2 Å²	139.2	65%	0.654	74%	0.74	S	S	*	*			cis	-175.1	152.3	-36.8	-169.8	64.3	0	0	0	110.5
216	I	27	Very low	26.5	Very low	131 Å²	131	144.4 Å²	144.4	67%	0.672	74%	0.741	S	S	*	*			trans	81.7	141.5	150.5	-104.6	165.2	0	0	0	121
217	N	24.5	Very low	26.4	Very low	148 Å²	148	151.3 Å²	151.3	79%	0.791	75%	0.751	S	S	*	*			trans	27.7	151.2	156.4	-50.5	-8.9	0	0	0	121.8
218	G	24.4	Very low	26.4	Very low	66 Å²	66	150.8 Å²	150.8	68%	0.68	75%	0.75	S	S	*	*			cis	141.1	158.8	1.7	0	0	0	0	0	113.1
219	T	24.6	Very low	26.8	Very low	127 Å²	127	148.5 Å²	148.5	78%	0.779	75%	0.748	S	S	*	*			trans	82.4	104	153.5	-37.6	0	0	0	0	121.1
220	E	26	Very low	26.8	Very low	138 Å²	138	148.5 Å²	148.5	65%	0.645	75%	0.748	S	S	*	*			trans	80.1	134.7	137	-73.4	-167.1	168.1	0	0	127.6
221	R	25.6	Very low	26.7	Very low	200 Å²	200	146 Å²	146	76%	0.755	74%	0.743	S	S	*	*			trans	67	102.7	137.5	-69	-176.2	-138.1	-110.7	-4.5	123.5
222	C	22.9	Very low	26.7	Very low	113 Å²	113	146 Å²	146	76%	0.764	74%	0.743	S	S	*	*				60.4	118.5	108.9	-172.2	0	0	0	0	121.7
223	K	25.2	Very low	26.7	Very low	203 Å²	203	147.5 Å²	147.5	88%	0.883	75%	0.751	S	S	*	*				176.3	149	126	-98.4	161	-175	176	0	115.1
224	E	23.3	Very low	26.9	Very low	173 Å²	173	147.8 Å²	147.8	81%	0.808	75%	0.752	S	S	*	*			trans	-84.8	-172.5	161	-53.9	-165.8	131.6	0	0	111.1
225	P	35.6	Very low	26.9	Very low	103 Å²	103	147.3 Å²	147.3	67%	0.669	76%	0.761	S	S	*	*			cis	-145.4	170.2	4.6	43	-22.9	0	0	0	120.1
226	K	25.7	Very low	26.9	Very low	188 Å²	188	149.1 Å²	149.1	82%	0.817	76%	0.764	S	S	*	*			trans	38.9	122.8	143.9	-65.1	174.4	-178.7	179.2	0	121.6
227	R	23.9	Very low	26.9	Very low	249 Å²	249	149.6 Å²	149.6	94%	0.94	77%	0.768	S	S	*	*				-172.3	169	111.6	-104.2	171.3	177.5	166.9	-0.1	114.9
228	I	27.7	Very low	27	Very low	157 Å²	157	150.5 Å²	150.5	81%	0.805	77%	0.765	S	S	*	*			trans	-112	152.5	-164.3	-61.5	146.7	0	0	0	107
229	P	37.4	Very low	27.3	Very low	107 Å²	107	153.7 Å²	153.7	70%	0.695	77%	0.765	S	S	*	*				-162.3	170.5	72.8	45.3	-22.4	0	0	0	122.6
230	N	26	Very low	27.6	Very low	139 Å²	139	153.4 Å²	153.4	74%	0.743	76%	0.755	S	S	*	*			trans	68	157.3	157.9	-72.6	30.4	0	0	0	118.5
231	D	29	Very low	27.7	Very low	125 Å²	125	153.2 Å²	153.2	67%	0.668	76%	0.759	S	S	*	*			cis	-142.9	-179.5	2.9	-137.9	-52.8	0	0	0	112.7
232	N	24.8	Very low	27.9	Very low	138 Å²	138	148.7 Å²	148.7	74%	0.738	76%	0.764	S	S	*	*			trans	-82.7	157.5	-173	-55.5	-97	0	0	0	114.2
233	L	28.6	Very low	28.3	Very low	163 Å²	163	152 Å²	152	85%	0.853	77%	0.768	S	S	*	*				-160.5	162.9	122.2	-134.1	75.2	0	0	0	114
234	E	29.5	Very low	28.5	Very low	155 Å²	155	149.3 Å²	149.3	72%	0.724	76%	0.764	S	S	*	*			trans	-80.4	171.4	-169.7	-55.4	155.9	138.1	0	0	113.9
235	T	27.6	Very low	28.8	Very low	145 Å²	145	145.4 Å²	145.4	89%	0.89	76%	0.756	S	S	*	*			trans	-145.6	133.6	157.9	-41.6	0	0	0	0	109.5
236	F	25	Very low	28.6	Very low	164 Å²	164	147.4 Å²	147.4	72%	0.719	76%	0.76	S	S	*	*			trans	-134.9	132.5	-175.3	-107.7	-69.2	0	0	0	111.9
237	N	27.4	Very low	28.9	Very low	141 Å²	141	147.8 Å²	147.8	75%	0.754	77%	0.765	S	S	*	*			trans	69.3	157.7	151.7	-70.2	-9.2	0	0	0	122.8
238	F	27.9	Very low	29.4	Very low	166 Å²	166	144.6 Å²	144.6	73%	0.728	76%	0.761	S	S	*	*			trans	76.2	123.6	166.4	-104.1	-133.9	0	0	0	117.3	E240	F238-E240 WeakPolarHBondContact CE2-OE2 3.48Å
239	L	28.7	Very low	29.7	Very low	133 Å²	133	146.4 Å²	146.4	70%	0.696	77%	0.766	S	S	*	*			cis	-120.2	148.3	-6.3	-81.1	97.4	0	0	0	109.2
240	E	31.5	Very low	29.4	Very low	122 Å²	122	148.7 Å²	148.7	57%	0.57	77%	0.773	S	S	*	*				73	108.7	58.5	-89.2	-162.5	106.7	0	0	115.8	F238	F238-E240 WeakPolarHBondContact CE2-OE2 3.48Å
241	N	28.8	Very low	30.1	Very low	133 Å²	133	151.5 Å²	151.5	71%	0.711	78%	0.781	S	S	*	*			trans	76.5	107.9	136	-48.2	-15.6	0	0	0	121.1
242	A	29.9	Very low	30.3	Very low	105 Å²	105	155.1 Å²	155.1	87%	0.868	79%	0.794	S	S	*	*			trans	-160	73.9	137.5	0	0	0	0	0	111.3
243	E	30.3	Very low	30.6	Very low	182 Å²	182	152.2 Å²	152.2	85%	0.85	80%	0.797	S	S	*	*			trans	-96.3	168.7	156.5	-58.9	169	145	0	0	106.6
244	D	30.6	Very low	30.7	Very low	148 Å²	148	152.1 Å²	152.1	79%	0.791	80%	0.797	S	S	*	*			cis	-165.5	-175.7	18.6	-154.7	-1.7	0	0	0	112.1
245	S	28	Very low	30.9	Very low	91 Å²	91	152.5 Å²	152.5	64%	0.636	80%	0.803	S	S	*	*			trans	83.4	96.9	151.1	-160	0	0	0	0	121.4
246	D	31.5	Very low	31.3	Very low	144 Å²	144	152.6 Å²	152.6	77%	0.77	80%	0.795	S	S	*	*				22.4	140.6	110.1	-53.4	-8.7	0	0	0	121.6
247	E	33.4	Very low	31.6	Very low	196 Å²	196	151.2 Å²	151.2	92%	0.916	80%	0.796	S	S	*	*				-166.2	165.8	112.2	-104.9	175.5	-167.6	0	0	111.7
248	E	34.2	Very low	31.7	Very low	183 Å²	183	151 Å²	151	86%	0.855	80%	0.795	S	S	*	*			trans	-109.2	169.9	-169.2	-56.8	-177.5	146.2	0	0	113.9
249	E	34.2	Very low	31.8	Very low	195 Å²	195	149.5 Å²	149.5	91%	0.911	79%	0.793	S	S	*	*				177.8	159.4	126.2	-98.5	-178.5	175.9	0	0	113.1
250	D	31.5	Very low	31.7	Very low	155 Å²	155	148.3 Å²	148.3	83%	0.829	80%	0.796	S	S	*	*			trans	-96.5	171.1	-171.9	-56.8	-74	0	0	0	114.9
251	E	39	Very low	31.5	Very low	197 Å²	197	147.4 Å²	147.4	92%	0.921	80%	0.803	S	S	*	*				-168	143	124	-109.6	-178.5	-179.4	0	0	113.3
252	E	33.7	Very low	31.4	Very low	201 Å²	201	146.6 Å²	146.6	94%	0.939	80%	0.798	S	S	*	*			trans	-91.7	168.2	172.3	-65.2	-177.4	120.9	0	0	112.1
253	G	31.4	Very low	31.4	Very low	78 Å²	78	148.7 Å²	148.7	80%	0.804	79%	0.788	S	S	*	*			trans	174.7	88.2	166.8	0	0	0	0	0	118.1
254	D	30.5	Very low	31.2	Very low	160 Å²	160	148.1 Å²	148.1	86%	0.856	79%	0.785	S	S	*	*			trans	-73	154.1	164.3	-74.9	-50.6	0	0	0	112.7
255	L	33.3	Very low	31	Very low	163 Å²	163	150.4 Å²	150.4	85%	0.853	79%	0.791	S	S	*	*				172.9	179.5	101.3	-148.8	59.2	0	0	0	112
256	M	36.8	Very low	30.8	Very low	147 Å²	147	155.9 Å²	155.9	72%	0.724	80%	0.797	S	S	*	*			trans	-109.3	-178.7	-159.3	-50.7	-174.9	-59.4	0	0	115.5
257	D	31.5	Very low	30.7	Very low	136 Å²	136	154.6 Å²	154.6	73%	0.727	80%	0.797	S	S	*	*			trans	110	107.6	132.4	-79.3	-17	0	0	0	122.7
258	D	28.9	Very low	30.3	Very low	137 Å²	137	153.4 Å²	153.4	73%	0.733	79%	0.789	S	S	*	*				102.4	147.3	113.7	-151.3	20.4	0	0	0	122.9
259	I	31.1	Very low	29.9	Very low	133 Å²	133	154.4 Å²	154.4	68%	0.682	79%	0.79	S	S	*	*			trans	92.5	101.6	144	-104.4	166.8	0	0	0	122.9
260	S	26.3	Very low	29.4	Very low	109 Å²	109	154.3 Å²	154.3	76%	0.762	79%	0.789	S	S	*	*				104.6	152.8	123.7	80.3	0	0	0	0	123.8
261	S	27.4	Very low	29.3	Very low	103 Å²	103	155 Å²	155	72%	0.72	79%	0.785	S	S	*	*			trans	-54	166.7	177.8	54.3	0	0	0	0	116.5
262	D	27	Very low	28.8	Very low	115 Å²	115	151.8 Å²	151.8	62%	0.615	78%	0.781	S	S	*	*				-177.4	167.2	57.2	-163.5	8.4	0	0	0	115
263	K	28.9	Very low	28.3	Very low	150 Å²	150	148.1 Å²	148.1	65%	0.652	77%	0.768	S	S	*	*			trans	45.9	119.8	156.1	-86.3	156.1	-156.7	131.3	0	123.6
264	Q	26.9	Very low	28.2	Very low	169 Å²	169	152.1 Å²	152.1	79%	0.79	77%	0.77	S	S	*	*				44.7	126.2	121.3	-59.6	-179.8	10.1	0	0	120.7
265	H	25.6	Very low	27.9	Very low	196 Å²	196	148.2 Å²	148.2	91%	0.907	77%	0.767	S	S	*	*				-151.3	155.5	126.8	-119.3	-81.2	0	0	0	113.5
266	R	24.7	Very low	27.6	Very low	206 Å²	206	147.5 Å²	147.5	78%	0.777	76%	0.764	S	S	*	*			trans	-145.3	128.4	-175.1	179.9	-166.1	-169.7	-172.1	10.1	112.1
267	P	28.8	Very low	27.2	Very low	118 Å²	118	148.8 Å²	148.8	77%	0.766	77%	0.768	S	S	*	*			trans	-127.8	126.1	141.1	33.2	-20.9	0	0	0	110.3
268	K	25.7	Very low	27	Very low	171 Å²	171	145.5 Å²	145.5	74%	0.743	77%	0.767	S	S	*	*				62.8	85.3	68.3	-76.1	-169.5	174.2	179.1	0	114.9
269	K	24.6	Very low	27	Very low	204 Å²	204	147.4 Å²	147.4	89%	0.887	78%	0.776	S	S	*	*			trans	27.7	125.5	134.8	-63.2	-176.6	176.2	-176.5	0	118.5
270	H	24.8	Very low	26.9	Very low	192 Å²	192	145.1 Å²	145.1	89%	0.889	78%	0.777	S	S	*	*			trans	-121.5	142.9	138.3	-105.6	-82.4	0	0	0	110.9
271	K	27.6	Very low	27.2	Very low	171 Å²	171	144.9 Å²	144.9	74%	0.743	78%	0.775	S	S	*	*			trans	-101.9	154.9	154.6	-81.6	-165.8	173.5	-165.6	0	107.5
272	P	29.3	Very low	27.5	Very low	129 Å²	129	149.2 Å²	149.2	84%	0.838	78%	0.784	S	S	*	*				-115.9	-175.5	111.1	34.7	-34.7	0	0	0	112
273	N	23.7	Very low	27.7	Very low	123 Å²	123	151.3 Å²	151.3	66%	0.658	80%	0.795	S	S	*	*			trans	-157.7	152.3	-176.9	-167.3	33.5	0	0	0	110.2
274	I	28	Very low	28.1	Very low	163 Å²	163	151.6 Å²	151.6	84%	0.836	80%	0.804	S	S	*	*			trans	73.9	126.3	171.9	-55.9	153.9	0	0	0	116
275	G	24.6	Very low	28.9	Very low	77 Å²	77	147.7 Å²	147.7	79%	0.794	80%	0.801	S	S	*	*			trans	169.3	112.3	169.4	0	0	0	0	0	108.5
276	N	27.1	Very low	29.8	Very low	149 Å²	149	146.2 Å²	146.2	80%	0.797	80%	0.799	S	S	*	*			trans	-116	170.8	-175.4	-176.2	45.4	0	0	0	110.6
277	E	29.2	Very low	30.9	Very low	173 Å²	173	141.5 Å²	141.5	81%	0.808	79%	0.794	S	S	*	*			trans	92.5	113.1	166	-55.1	177.6	-154.7	0	0	117.5
278	G	26.8	Very low	31.4	Very low	68 Å²	68	143 Å²	143	70%	0.701	79%	0.79	S	S	*	*				110.3	109.9	112	0	0	0	0	0	119.7
279	L	29.8	Very low	32.4	Very low	176 Å²	176	143.5 Å²	143.5	92%	0.921	80%	0.795	S	S	*	*			trans	81.9	127.6	142.8	-55.8	175.4	0	0	0	121.3
280	A	27.7	Very low	33.2	Very low	85 Å²	85	138.3 Å²	138.3	70%	0.702	79%	0.79	S	S	*	*			trans	73.5	106.7	130.7	0	0	0	0	0	121.4
281	S	32.4	Very low	34	Very low	104 Å²	104	136.5 Å²	136.5	73%	0.727	79%	0.786	S	S	*	*				41.1	108.4	129.6	61.8	0	0	0	0	120.2
282	E	33.7	Very low	34.6	Very low	195 Å²	195	135.9 Å²	135.9	91%	0.911	78%	0.784	S	S	*	*			trans	-132	147.3	139.3	-64.6	-168.2	147.8	0	0	107.6
283	D	32.7	Very low	35.1	Very low	158 Å²	158	138.1 Å²	138.1	85%	0.845	78%	0.783	S	S	*	*			trans	-101.7	121.6	-168.5	-57.2	-72.7	0	0	0	112.3	A285	D283-A285 PolarHBondContact O-N 2.86Å
284	D	36.1	Very low	35.5	Very low	157 Å²	157	142 Å²	142	84%	0.84	79%	0.794	S	S	*	*			trans	-83.4	107.9	172.4	-84.5	-39.2	0	0	0	111	D286	D284-D286 VanDerWaalsContact C-N 3.33Å; D284-D286 PolarHBondContact O-N 2.93Å
285	A	44.4	Very low	35.8	Very low	87 Å²	87	141.5 Å²	141.5	72%	0.719	79%	0.794	S	S	*	*	G	3₁₀ helix	trans	-78.8	-1.8	-166.4	0	0	0	0	0	116.3	D283 T287	D283-A285 PolarHBondContact O-N 2.86Å; A285-T287 VanDerWaalsContact C-N 3.35Å; A285-T287 PolarHBondContact O-N 3.4Å
286	D	44.8	Very low	36.1	Very low	165 Å²	165	146.6 Å²	146.6	88%	0.882	79%	0.794	S	S	*	*	G	3₁₀ helix	trans	-88.5	12.9	-169.8	-69.9	-26	0	0	0	114.9	D284	D284-D286 VanDerWaalsContact C-N 3.33Å; D284-D286 PolarHBondContact O-N 2.93Å
287	T	47.1	Very low	36.2	Very low	107 Å²	107	145.8 Å²	145.8	66%	0.656	79%	0.789	S	S	*	*	G	3₁₀ helix	trans	-102.2	-10.7	-175.9	-47.6	0	0	0	0	114.4	A285	A285-T287 VanDerWaalsContact C-N 3.35Å; A285-T287 PolarHBondContact O-N 3.4Å
288	E	39.8	Very low	36.1	Very low	150 Å²	150	144 Å²	144	70%	0.701	79%	0.79	S	S	*	*	S	Bend	trans	-94.2	-1.5	-170.5	-79.1	-140.3	146.8	0	0	117.2	K292	E288-K292 PolarHBondContact O-NZ 3.34Å
289	E	46.2	Very low	36.2	Very low	180 Å²	180	147.1 Å²	147.1	84%	0.841	80%	0.795	S	S	*	*	S	Bend	trans	-92.3	-27	-179.9	-163.2	155.5	-133.2	0	0	113.5	L291	E289-L291 PolarHBondContact O-N 2.78Å; E289-L291 VanDerWaalsContact O-N 3.16Å
290	A	41.9	Very low	36.3	Very low	95 Å²	95	143.1 Å²	143.1	79%	0.785	79%	0.787	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74	-2.8	-176.8	0	0	0	0	0	115.7
291	L	41.6	Very low	36.5	Very low	154 Å²	154	147.8 Å²	147.8	81%	0.806	80%	0.795	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.7	19.7	-171	-67.6	176.4	0	0	0	114.6	E289	E289-L291 PolarHBondContact O-N 2.78Å; E289-L291 VanDerWaalsContact O-N 3.16Å
292	K	38.7	Very low	36.4	Very low	159 Å²	159	150.6 Å²	150.6	69%	0.691	80%	0.802	S	S	*	*	S	Bend	trans	-116.1	-2.3	-178	-66.6	-170.2	-179.6	86.2	0	116.4	E288	E288-K292 PolarHBondContact O-NZ 3.34Å
293	E	41.4	Very low	36.1	Very low	176 Å²	176	145.2 Å²	145.2	82%	0.822	80%	0.798	S	S	*	*	S	Bend	trans	-101.7	-2.5	-174.5	-147.5	178.6	-170.9	0	0	115.2
294	F	31	Very low	35.9	Very low	204 Å²	204	147.5 Å²	147.5	90%	0.895	80%	0.804	S	S	*	*	S	Bend	trans	-129.6	36.8	-173.2	-89.6	-81.6	0	0	0	115.5
295	D	34.9	Very low	35.5	Very low	153 Å²	153	144 Å²	144	82%	0.818	80%	0.804	S	S	*	*			trans	-133.4	84.1	165.4	-170.2	17.7	0	0	0	112.6
296	F	29.7	Very low	34.7	Very low	183 Å²	183	145.3 Å²	145.3	80%	0.803	82%	0.815	S	S	*	*			trans	-149.8	127	157.2	-158.3	-126.6	0	0	0	112.4
297	L	30	Very low	33.8	Very low	132 Å²	132	141.2 Å²	141.2	69%	0.691	81%	0.812	S	S	*	*			trans	71.8	73.5	169.4	-60.7	172.9	0	0	0	119.4
298	V	28.3	Very low	32.9	Very low	137 Å²	137	145.6 Å²	145.6	83%	0.83	83%	0.825	S	S	*	*				-140.5	101.9	127.2	-175.8	0	0	0	0	111.1
299	T	28.1	Very low	32.5	Very low	133 Å²	133	142.1 Å²	142.1	82%	0.816	82%	0.822	S	S	*	*			trans	170.7	162.5	138.1	29.1	0	0	0	0	112.5
300	A	32	Very low	31.7	Very low	91 Å²	91	144.9 Å²	144.9	75%	0.752	83%	0.825	S	S	*	*			trans	71.5	100.3	-171.7	0	0	0	0	0	114.1
301	E	31.1	Very low	31	Very low	183 Å²	183	145 Å²	145	86%	0.855	82%	0.82	S	S	*	*				74.8	117.1	50.5	-62.2	-169.1	135.9	0	0	115.6
302	D	31	Very low	30.4	Very low	164 Å²	164	142.9 Å²	142.9	88%	0.877	82%	0.818	S	S	*	*			trans	44.7	129.4	150.5	-60.3	-2.3	0	0	0	122.8
303	G	28.4	Very low	29.9	Very low	81 Å²	81	138.5 Å²	138.5	84%	0.835	82%	0.818	S	S	*	*			trans	171.1	115.5	164.8	0	0	0	0	0	115.2
304	E	28.6	Very low	29	Very low	207 Å²	207	138.4 Å²	138.4	97%	0.967	82%	0.823	S	S	*	*			trans	-71.4	155.1	179.3	-51.7	172.6	123.5	0	0	113.7
305	G	26.6	Very low	28.8	Very low	82 Å²	82	131.1 Å²	131.1	85%	0.845	81%	0.805	S	S	*	*			trans	165.9	118.6	163.5	0	0	0	0	0	116.8
306	A	27.8	Very low	28.6	Very low	115 Å²	115	130.6 Å²	130.6	95%	0.95	81%	0.808	S	S	*	*			trans	-86.7	160.7	179.2	0	0	0	0	0	114.2
307	G	26.3	Very low	28.7	Very low	79 Å²	79	129 Å²	129	81%	0.814	80%	0.803	S	S	*	*			trans	178.1	131	169.3	0	0	0	0	0	114
308	E	28.3	Very low	28.6	Very low	199 Å²	199	133.6 Å²	133.6	93%	0.93	81%	0.812	S	S	*	*			trans	-94.8	163.7	-168.9	-54.6	175	97.6	0	0	115.7
309	A	30.1	Very low	28.5	Very low	77 Å²	77	131.9 Å²	131.9	64%	0.636	81%	0.811	S	S	*	*			trans	88.3	117.5	133.1	0	0	0	0	0	123.6
310	R	29.6	Very low	28.5	Very low	238 Å²	238	134.7 Å²	134.7	90%	0.898	82%	0.815	S	S	*	*				79	156.3	128.6	-68	169.2	98.6	155.7	6.3	118.7
311	S	28	Very low	28.6	Very low	99 Å²	99	136 Å²	136	69%	0.692	82%	0.816	S	S	*	*			cis	174.3	153.1	-16	-165.1	0	0	0	0	107.1
312	S	29.5	Very low	28.4	Very low	109 Å²	109	135.5 Å²	135.5	76%	0.762	82%	0.818	S	S	*	*			cis	-175.1	149.7	-8.1	35.4	0	0	0	0	110.1
313	G	26.7	Very low	28.5	Very low	67 Å²	67	132.7 Å²	132.7	69%	0.691	81%	0.809	S	S	*	*			trans	83.9	166.5	165.1	0	0	0	0	0	116.5
314	D	24.2	Very low	28.5	Very low	173 Å²	173	138.2 Å²	138.2	93%	0.925	81%	0.811	S	S	*	*			cis	-172.4	167.6	-16.3	-101.1	-55.5	0	0	0	107.6
315	G	26.8	Very low	28.8	Very low	51 Å²	51	134.4 Å²	134.4	53%	0.526	80%	0.804	S	S	.	*			cis	163.7	161.5	-0.9	0	0	0	0	0	110.7
316	T	30.3	Very low	28.7	Very low	142 Å²	142	136.7 Å²	136.7	87%	0.871	81%	0.807	S	S	*	*			trans	62.9	151.6	177.8	31	0	0	0	0	117.1
317	E	30.5	Very low	28.7	Very low	150 Å²	150	135 Å²	135	70%	0.701	80%	0.8	S	S	*	*			cis	-164.3	168.4	-4.1	53.4	-176.9	162.6	0	0	114.8
318	W	28.1	Very low	28.7	Very low	229 Å²	229	135.4 Å²	135.4	87%	0.867	81%	0.805	S	S	*	*			trans	35	129.7	166.3	-47.5	102.1	0	0	0	124.2
319	A	26.1	Very low	28.7	Very low	100 Å²	100	129.5 Å²	129.5	83%	0.826	80%	0.798	S	S	*	*				175.6	162.9	102.9	0	0	0	0	0	114.6
320	E	29	Very low	28.7	Very low	192 Å²	192	136 Å²	136	90%	0.897	81%	0.811	S	S	*	*			trans	-60.4	157.2	-159.5	-52.8	-177	146.7	0	0	121.8
321	P	33.7	Very low	28.5	Very low	119 Å²	119	128.8 Å²	128.8	77%	0.773	80%	0.798	S	S	*	*			trans	-121	150.8	149	38.5	-28.4	0	0	0	113.6
322	L	26.5	Very low	28.4	Very low	172 Å²	172	131.2 Å²	131.2	90%	0.901	80%	0.796	S	S	*	*			trans	163.1	171.1	158.2	-96.3	175.3	0	0	0	109.6
323	P	33.5	Very low	28.3	Very low	106 Å²	106	131.2 Å²	131.2	69%	0.688	79%	0.787	S	S	*	*			cis	-127.6	169.9	-14.4	37.7	-22.2	0	0	0	115
324	F	29.6	Very low	28.4	Very low	197 Å²	197	135.6 Å²	135.6	86%	0.864	79%	0.794	S	S	*	*			trans	-99.7	145.7	154.4	-79.4	-91.3	0	0	0	110.3
325	P	32.9	Very low	28.4	Very low	127 Å²	127	131 Å²	131	83%	0.825	79%	0.787	S	S	*	*			trans	-83.7	149.8	173.4	33.4	-33.8	0	0	0	113.2
326	S	25.8	Very low	28.5	Very low	129 Å²	129	132.3 Å²	132.3	90%	0.902	80%	0.801	S	S	*	*			trans	-105.9	159.1	-175.7	-47	0	0	0	0	112.7
327	G	27	Very low	29	Very low	79 Å²	79	130.8 Å²	130.8	81%	0.814	79%	0.793	S	S	*	*			trans	-175.3	81.5	172.1	0	0	0	0	0	119.6
328	G	27.2	Very low	29	Very low	88 Å²	88	130.7 Å²	130.7	91%	0.907	80%	0.797	S	S	*	*			trans	66.4	99.6	139.6	0	0	0	0	0	121.1
329	G	27.5	Very low	29.1	Very low	76 Å²	76	126.5 Å²	126.5	78%	0.784	79%	0.792	S	S	*	*			trans	-107.1	156.4	157.8	0	0	0	0	0	112.9
330	K	30.3	Very low	29.3	Very low	212 Å²	212	126.4 Å²	126.4	92%	0.922	78%	0.781	S	S	*	*			trans	-145.3	164.7	165.2	-73.1	-166.4	178.5	178.3	0	110.4
331	S	26.5	Very low	29.4	Very low	88 Å²	88	124.5 Å²	124.5	62%	0.615	78%	0.776	S	S	*	*			trans	-156.5	166.9	-161.1	52.6	0	0	0	0	114.5
332	F	24.7	Very low	29.2	Very low	149 Å²	149	125.9 Å²	125.9	65%	0.654	77%	0.772	S	S	*	*			trans	105.4	114.2	156.1	-59.1	-60.2	0	0	0	121.5
333	L	27.7	Very low	29.3	Very low	110 Å²	110	122.1 Å²	122.1	58%	0.576	76%	0.76	S	S	*	*				78.5	115.1	121.8	-63.4	169.9	0	0	0	124.6
334	L	27.9	Very low	29.1	Very low	159 Å²	159	123 Å²	123	83%	0.832	76%	0.764	S	S	*	*				77.3	96.4	112.1	-163.9	75.6	0	0	0	122.1
335	G	25.1	Very low	29.2	Very low	76 Å²	76	121.5 Å²	121.5	78%	0.784	76%	0.764	S	S	*	*				99.3	100.3	105.7	0	0	0	0	0	122.9
336	G	28.2	Very low	29	Very low	79 Å²	79	118.3 Å²	118.3	81%	0.814	75%	0.754	S	S	*	*			trans	70.7	174.3	149	0	0	0	0	0	119.3
337	P	40.9	Very low	29.3	Very low	110 Å²	110	121.2 Å²	121.2	71%	0.714	76%	0.758	S	S	*	*			cis	-130.3	-178.7	-6.3	44.7	-29.4	0	0	0	114.8
338	D	30.4	Very low	29.4	Very low	147 Å²	147	121 Å²	121	79%	0.786	76%	0.757	S	S	*	*			trans	37	152.6	145.6	-43.9	-15.2	0	0	0	122
339	D	30.2	Very low	29.6	Very low	141 Å²	141	124.3 Å²	124.3	75%	0.754	75%	0.754	S	S	*	*			cis	-161.9	161.9	5.3	-137.4	5.5	0	0	0	115.3
340	V	31.2	Very low	29.7	Very low	98 Å²	98	127.9 Å²	127.9	59%	0.594	75%	0.754	S	S	*	*			trans	25	132.5	149.2	177.4	0	0	0	0	123.3
341	L	30.2	Very low	29.8	Very low	152 Å²	152	122.8 Å²	122.8	80%	0.796	75%	0.752	S	S	*	*				169.8	144.3	122.6	-108.1	106.8	0	0	0	110.4
342	E	28.9	Very low	30	Very low	149 Å²	149	126.3 Å²	126.3	70%	0.696	76%	0.764	S	S	*	*			cis	-165.9	147.8	-23.1	-143.2	-165.6	146.9	0	0	112.9
343	S	29.3	Very low	30.2	Very low	92 Å²	92	126.1 Å²	126.1	64%	0.643	77%	0.769	S	S	*	*			trans	79.6	157.4	139.9	81.8	0	0	0	0	123.2
344	V	29.1	Very low	30.3	Very low	126 Å²	126	127.4 Å²	127.4	76%	0.764	78%	0.781	S	S	*	*			trans	70.1	126.5	162.5	175.4	0	0	0	0	117.4
345	L	32.8	Very low	30.4	Very low	164 Å²	164	125.2 Å²	125.2	86%	0.859	77%	0.774	S	S	*	*			cis	-163.4	149.7	-16.9	-94.9	176.6	0	0	0	104.9
346	G	28.7	Very low	30.7	Very low	61 Å²	61	128 Å²	128	63%	0.629	78%	0.776	S	S	*	*			cis	162.3	164	-5	0	0	0	0	0	110.9
347	L	31	Very low	30.8	Very low	189 Å²	189	131.4 Å²	131.4	99%	0.99	78%	0.775	S	S	*	*			trans	63.1	129.2	167.7	-64.2	154.4	0	0	0	118.6
348	G	30.3	Very low	30.5	Very low	76 Å²	76	133.3 Å²	133.3	78%	0.784	78%	0.78	S	S	*	*			trans	177.5	16.5	172.9	0	0	0	0	0	125.4
349	D	30.5	Very low	30.6	Very low	157 Å²	157	134.2 Å²	134.2	84%	0.84	78%	0.779	S	S	*	*			trans	69.9	161.8	159.3	-130.6	-13.5	0	0	0	121.4
350	L	29.1	Very low	30.6	Very low	150 Å²	150	133.9 Å²	133.9	79%	0.785	78%	0.783	S	S	*	*			trans	46.9	100.8	170.9	-86.5	69.8	0	0	0	120.4
351	A	33.3	Very low	30.8	Very low	106 Å²	106	136.2 Å²	136.2	88%	0.876	79%	0.792	S	S	*	*				-177.8	58.9	127	0	0	0	0	0	113.1
352	D	29.8	Very low	30.9	Very low	162 Å²	162	138.7 Å²	138.7	87%	0.866	80%	0.797	S	S	*	*			trans	-76	158.7	163.2	-126.7	-34.5	0	0	0	110.5
353	L	29	Very low	31.3	Very low	145 Å²	145	134.5 Å²	134.5	76%	0.759	79%	0.793	S	S	*	*			trans	114.5	61	169.6	-62.1	164.6	0	0	0	118.6	V355	L353-V355 HydrophobicContact CD2-CG2 3.97Å
354	T	30	Very low	31.3	Very low	137 Å²	137	141 Å²	141	84%	0.84	81%	0.805	S	S	*	*			trans	-118.4	83.6	141.5	55.2	0	0	0	0	109.6	T356	T354-T356 PolarHBondContact O-N 2.76Å
355	V	30.5	Very low	31.5	Very low	113 Å²	113	142.1 Å²	142.1	69%	0.685	81%	0.806	S	S	*	*			trans	-71.5	100.2	-178.1	179.2	0	0	0	0	110.2	L353	L353-V355 HydrophobicContact CD2-CG2 3.97Å
356	T	31.4	Very low	31.4	Very low	135 Å²	135	141.7 Å²	141.7	83%	0.828	80%	0.804	S	S	*	*			trans	-61.3	127	155.1	49.6	0	0	0	0	108.8	T354	T354-T356 PolarHBondContact O-N 2.76Å
357	N	30.1	Very low	31.6	Very low	149 Å²	149	143.4 Å²	143.4	80%	0.797	81%	0.807	S	S	*	*			trans	-126.8	102	171.2	-166.1	98.1	0	0	0	109.3
358	D	35	Very low	31.6	Very low	151 Å²	151	139 Å²	139	81%	0.807	79%	0.792	S	S	*	*			trans	-112	170	179	-143	-24.9	0	0	0	110.4
359	E	33	Very low	31.7	Very low	165 Å²	165	141 Å²	141	77%	0.771	79%	0.793	S	S	*	*			trans	62.7	111.8	-178.7	-56.2	-162	154.5	0	0	117.9
360	T	30.4	Very low	31.9	Very low	135 Å²	135	142.2 Å²	142.2	83%	0.828	79%	0.792	S	S	*	*				-167.2	136.9	95.7	18.9	0	0	0	0	111.5
361	D	35.3	Very low	32.2	Very low	146 Å²	146	143.6 Å²	143.6	78%	0.781	79%	0.794	S	S	*	*			trans	-89.7	116.9	-178.3	178.7	18.7	0	0	0	111.9
362	F	32.3	Very low	32.2	Very low	205 Å²	205	144.2 Å²	144.2	90%	0.899	79%	0.792	S	S	*	*			trans	-146.3	87.8	162.1	-89.7	-73.9	0	0	0	110.1
363	G	37	Very low	32.5	Very low	60 Å²	60	139.7 Å²	139.7	62%	0.619	78%	0.777	S	S	*	*			trans	-71.6	144.2	-178.5	0	0	0	0	0	115.6
364	Y	29.9	Very low	32.8	Very low	230 Å²	230	142 Å²	142	90%	0.902	78%	0.781	S	S	*	*			trans	-138.2	129	147.2	-111.8	-82.6	0	0	0	109.6
365	D	33.1	Very low	33.8	Very low	148 Å²	148	146.1 Å²	146.1	79%	0.791	78%	0.781	S	S	*	*			trans	-84.7	123.9	-177.9	175.1	15.7	0	0	0	110.9
366	L	29.2	Very low	35.4	Very low	155 Å²	155	146.7 Å²	146.7	81%	0.812	78%	0.775	S	S	*	*			trans	-161.5	73.3	169.5	-110.4	156.4	0	0	0	113.8
367	S	32.9	Very low	37.9	Very low	98 Å²	98	143.4 Å²	143.4	69%	0.685	75%	0.754	S	S	*	*			trans	52.3	91.8	149.6	63.9	0	0	0	0	120.2
368	S	31.3	Very low	40.8	Very low	96 Å²	96	137.4 Å²	137.4	67%	0.671	72%	0.721	S	S	*	*			trans	-102.2	7.5	169.3	58.5	0	0	0	0	115.7	K370 E371	S368-K370 PolarHBondContact O-N 3.07Å; S368-E371 PolarHBondContact O-N 3.46Å
369	S	33	Very low	43.4	Very low	117 Å²	117	134.3 Å²	134.3	82%	0.818	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.4	40.1	-177.5	-56.8	0	0	0	0	115.6
370	K	34.7	Very low	46.2	Very low	184 Å²	184	130.6 Å²	130.6	80%	0.8	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-138.8	-12.4	171.6	-80.3	-169.2	173.8	-178	0	114.5	S368 A373	S368-K370 PolarHBondContact O-N 3.07Å; K370-A373 VanDerWaalsContact O-CB 3.24Å; K370-A373 WeakPolarHBondContact O-CB 3.36Å; K370-A373 PolarHBondContact O-N 3.22Å
371	E	34.8	Very low	49.1	Very low	178 Å²	178	128.1 Å²	128.1	83%	0.832	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.6	-9.9	-169.2	-155	155.9	-135.5	0	0	114.1	S368 A373	S368-E371 PolarHBondContact O-N 3.46Å; E371-A373 PolarHBondContact O-N 3.44Å
372	S	34.6	Very low	51.8	Low	120 Å²	120	122.3 Å²	122.3	84%	0.839	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85	12.3	168.5	55.1	0	0	0	0	113.9	F374	S372-F374 PolarHBondContact O-N 3.21Å
373	A	35.3	Very low	54.7	Low	66 Å²	66	113.8 Å²	113.8	55%	0.545	60%	0.604	S	S	.	*	S	Bend	trans	-76.5	106.8	-178.7	0	0	0	0	0	112.2	K370 E371	K370-A373 VanDerWaalsContact O-CB 3.24Å; K370-A373 WeakPolarHBondContact O-CB 3.36Å; K370-A373 PolarHBondContact O-N 3.22Å; E371-A373 PolarHBondContact O-N 3.44Å
374	F	35.4	Very low	57.5	Low	195 Å²	195	111 Å²	111	86%	0.855	58%	0.575	S	S	*	*			trans	59.9	76.6	166.2	-53.8	-81	0	0	0	116.9	S372 K376	S372-F374 PolarHBondContact O-N 3.21Å; F374-K376 VanDerWaalsContact C-N 3.29Å; F374-K376 PolarHBondContact O-N 3.06Å
375	R	51	Low	60.5	Low	222 Å²	222	105 Å²	105	84%	0.838	55%	0.551	S	S	*	*			trans	-64.6	96.6	143.7	-78.7	-167.2	180	-163	1	108.1	T377	R375-T377 PolarHBondContact O-N 3.13Å
376	K	64.1	Low	63.4	Low	126 Å²	126	99.8 Å²	99.8	55%	0.548	53%	0.526	S	S	.	.			trans	-74.1	90.3	174.8	-172.9	-171.8	177	-167	0	109.1	F374	F374-K376 VanDerWaalsContact C-N 3.29Å; F374-K376 PolarHBondContact O-N 3.06Å
377	T	84.3	Confident	66.6	Low	66 Å²	66	93.1 Å²	93.1	41%	0.405	49%	0.49	S	S	.	.			trans	-79.8	143.8	173.2	53.2	0	0	0	0	110.7	R375 N379 Q667	R375-T377 PolarHBondContact O-N 3.13Å; T377-N379 PolarHBondContact O-ND2 3.34Å; T377-N379 PolarHBondContact OG1-ND2 3.49Å; T377-Q667 VanDerWaalsContact CA-OE1 3.28Å
378	W	89.6	Confident	69.5	Low	23 Å²	23	97 Å²	97	9%	0.087	50%	0.495	C	S	.	.			trans	-87.5	124.9	175.2	-67.8	87.3	0	0	0	109.9	Q667 I669 F685 A690 I692 V705	W378-Q667 PolarHBondContact O-NE2 3.32Å; W378-I669 HydrophobicContact CB-CD1 4.33Å; W378-I669 WeakPolarHBondContact O-CD1 3.36Å; W378-F685 HydrophobicContact CZ2-CE1 4.35Å; W378-A690 HydrophobicContact CH2-CB 4.08Å; W378-A690 VanDerWaalsContact CZ3-C 3.44Å; W378-A690 HydrophobicContact CZ3-CB 4.33Å; W378-I692 HydrophobicContact CD2-CD1 3.55Å; W378-I692 HydrophobicContact CD2-CG1 4.14Å; W378-I692 VanDerWaalsContact CE2-CD1 3.46Å; W378-I692 HydrophobicContact CE3-CB 4.15Å; W378-I692 HydrophobicContact CE3-CD1 3.89Å; W378-I692 HydrophobicContact CE3-CG1 3.95Å; W378-I692 HydrophobicContact CG-CD1 4.02Å; W378-I692 HydrophobicContact CH2-CD1 3.97Å; W378-I692 HydrophobicContact CH2-CG1 3.72Å; W378-I692 HydrophobicContact CZ2-CD1 3.68Å; W378-I692 HydrophobicContact CZ2-CG1 3.96Å; W378-I692 HydrophobicContact CZ3-CB 4.13Å; W378-I692 HydrophobicContact CZ3-CD1 4.1Å; W378-I692 HydrophobicContact CZ3-CG1 3.75Å; W378-V705 CarbonylContact C-O 3.58Å; W378-V705 VanDerWaalsContact CA-O 3.32Å; W378-V705 WeakPolarHBondContact CA-O 3.25Å
379	N	90.7	Very high	72.7	Confident	86 Å²	86	95.2 Å²	95.2	46%	0.46	48%	0.478	S	S	.	.			trans	-118.9	138.1	-174.1	-63	-91.1	0	0	0	110.2	T377 K381 Y704 V705	T377-N379 PolarHBondContact O-ND2 3.34Å; T377-N379 PolarHBondContact OG1-ND2 3.49Å; N379-K381 PolarHBondContact O-N 3.22Å; N379-Y704 VanDerWaalsContact O-CA 3.25Å; N379-Y704 WeakPolarHBondContact O-CA 3.22Å; N379-V705 PolarHBondContact N-O 3.21Å; N379-V705 PolarHBondContact O-N 3.14Å; N379-V705 VanDerWaalsContact O-N 3.09Å
380	P	90.7	Very high	75.7	Confident	87 Å²	87	89.6 Å²	89.6	57%	0.565	44%	0.439	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.2	125.8	178.5	25	-32.9	0	0	0	110.1	Y704	P380-Y704 HydrophobicContact CB-CD1 3.95Å; P380-Y704 HydrophobicContact CB-CE1 3.73Å; P380-Y704 HydrophobicContact CG-CE1 4.42Å
381	K	91.9	Very high	78.7	Confident	82 Å²	82	80.9 Å²	80.9	36%	0.357	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	-39	-174.9	-167.3	-170	-176.6	-153	0	112.8	N379 Y691 V703 V705	N379-K381 PolarHBondContact O-N 3.22Å; K381-Y691 HydrophobicContact CD-CE1 4.21Å; K381-Y691 PolarHBondContact NZ-OH 3.2Å; K381-V703 PolarHBondContact N-O 3.48Å; K381-V705 HydrophobicContact CB-CG2 4.16Å; K381-V705 HydrophobicContact CD-CB 4.44Å; K381-V705 HydrophobicContact CD-CG1 3.67Å; K381-V705 HydrophobicContact CD-CG2 3.89Å; K381-V705 HydrophobicContact CG-CG2 4.26Å
382	Y	92.5	Very high	81.7	Confident	24 Å²	24	75.5 Å²	75.5	9%	0.094	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	137.1	-178.8	-53.2	-55.8	0	0	0	110.9	L417 T420 D430 V431 R702 V703	Y382-L417 HydrophobicContact CD2-CD2 4.07Å; Y382-L417 HydrophobicContact CE2-CB 4.06Å; Y382-L417 HydrophobicContact CE2-CD2 4.44Å; Y382-L417 PolarHBondContact OH-O 3.05Å; Y382-T420 HydrophobicContact CD1-CG2 4.45Å; Y382-T420 HydrophobicContact CE1-CG2 3.45Å; Y382-T420 VanDerWaalsContact CE1-CG2 3.45Å; Y382-T420 WeakPolarHBondContact OH-CG2 3.38Å; Y382-D430 HydrophobicContact CD1-CB 4.05Å; Y382-V431 HydrophobicContact CD1-CG2 3.85Å; Y382-V431 HydrophobicContact CD2-CG2 4.43Å; Y382-V431 HydrophobicContact CE1-CG2 4.12Å; Y382-V431 HydrophobicContact CG-CG2 4.02Å; Y382-R702 WeakPolarHBondContact O-CA 3.24Å; Y382-V703 HydrophobicContact CD2-CB 4.13Å; Y382-V703 HydrophobicContact CD2-CG1 4.26Å; Y382-V703 PolarHBondContact N-O 3.39Å; Y382-V703 PolarHBondContact O-N 3Å
383	T	93.7	Very high	84.8	Confident	26 Å²	26	70.1 Å²	70.1	16%	0.16	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	108.6	165.9	-48.5	0	0	0	0	108.9	R385 D430 L700 R702	T383-R385 HydrophobicContact CG2-CG 4.37Å; T383-R385 PolarHBondContact O-N 2.9Å; T383-D430 PolarHBondContact N-OD2 3.36Å; T383-L700 HydrophobicContact CG2-CB 4.45Å; T383-L700 HydrophobicContact CG2-CD1 3.9Å; T383-L700 HydrophobicContact CG2-CD2 4.37Å; T383-L700 HydrophobicContact CG2-CG 4.47Å; T383-R702 HydrophobicContact CG2-CG 4.22Å
384	L	94.6	Very high	87.7	Confident	2 Å²	2	67.4 Å²	67.4	1%	0.01	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	115.3	-176.7	-52	-179	0	0	0	108.7	L403 W415 L417 V431 A701 V703	L384-L403 HydrophobicContact CD1-CD2 3.66Å; L384-W415 HydrophobicContact CB-CD2 4.16Å; L384-W415 HydrophobicContact CB-CE3 3.99Å; L384-W415 HydrophobicContact CB-CH2 3.72Å; L384-W415 HydrophobicContact CB-CZ2 3.93Å; L384-W415 HydrophobicContact CB-CZ3 3.77Å; L384-W415 HydrophobicContact CD1-CB 4.33Å; L384-W415 HydrophobicContact CD1-CD2 3.93Å; L384-W415 HydrophobicContact CD1-CE3 4.35Å; L384-W415 HydrophobicContact CD1-CG 3.94Å; L384-W415 HydrophobicContact CD2-CD2 4.26Å; L384-W415 HydrophobicContact CD2-CE3 3.86Å; L384-W415 HydrophobicContact CD2-CZ3 4.26Å; L384-W415 HydrophobicContact CG-CD2 4.34Å; L384-W415 HydrophobicContact CG-CE3 4.28Å; L384-L417 HydrophobicContact CD2-CD2 4.45Å; L384-V431 HydrophobicContact CD2-CB 3.8Å; L384-V431 HydrophobicContact CD2-CG1 4.38Å; L384-V431 HydrophobicContact CD2-CG2 4.31Å; L384-A701 HydrophobicContact CB-CB 4.21Å; L384-A701 WeakPolarHBondContact CB-O 3.49Å; L384-A701 HydrophobicContact CD1-CB 4.11Å; L384-A701 PolarHBondContact N-O 3.17Å; L384-A701 PolarHBondContact O-N 3.24Å; L384-V703 HydrophobicContact CD1-CG2 4.07Å; L384-V703 HydrophobicContact CG-CG2 4.48Å
385	R	93.1	Very high	90.7	Very high	105 Å²	105	58.6 Å²	58.6	40%	0.396	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	110.8	-179.1	-33.6	-167.3	-179.3	-91.2	-4.7	109.9	T383 S428 F429 L700	T383-R385 HydrophobicContact CG2-CG 4.37Å; T383-R385 PolarHBondContact O-N 2.9Å; R385-S428 VanDerWaalsContact CD-O 3.24Å; R385-S428 WeakPolarHBondContact CD-O 3.5Å; R385-S428 PolarHBondContact NE-O 3.45Å; R385-F429 HydrophobicContact CB-CD1 4.04Å; R385-F429 HydrophobicContact CB-CE1 4.08Å; R385-F429 WeakPolarHBondContact O-CD1 3.28Å; R385-F429 WeakPolarHBondContact O-CE1 3.39Å; R385-L700 HydrophobicContact CB-CD2 4.03Å; R385-L700 HydrophobicContact CG-CD2 3.79Å; R385-L700 VanDerWaalsContact NH1-CD1 3.26Å
386	S	93.4	Very high	92.9	Very high	37 Å²	37	48.4 Å²	48.4	26%	0.259	24%	0.237	S	C	.	.			trans	-173	-17.9	174.5	-171	0	0	0	0	112.8	K413	S386-K413 VanDerWaalsContact C-CE 3.49Å; S386-K413 WeakPolarHBondContact O-CE 3.48Å; S386-K413 PolarHBondContact O-NZ 2.94Å; S386-K413 PolarHBondContact OG-NZ 3.19Å
387	H	96.3	Very high	94.5	Very high	16 Å²	16	43.3 Å²	43.3	7%	0.074	22%	0.215	C	C	.	.			trans	-72.1	146.9	168.1	-77.8	-63.1	0	0	0	110.6	V391 T405 S407 D409 T411 K413	H387-V391 HydrophobicContact CB-CG2 3.94Å; H387-T405 PolarHBondContact CD2-OG1 2.93Å; H387-T405 PolarHBondContact NE2-OG1 2.79Å; H387-S407 VanDerWaalsContact CE1-CB 3.42Å; H387-S407 WeakPolarHBondContact CE1-CB 3.35Å; H387-S407 WeakPolarHBondContact ND1-CB 3.29Å; H387-D409 WeakPolarHBondContact CA-OD2 3.36Å; H387-D409 WeakPolarHBondContact CB-OD2 3.47Å; H387-D409 IonicContact CE1-OD1 2.8Å; H387-D409 IonicContact CG-OD2 2.65Å; H387-D409 IonicContact ND1-OD1 3.42Å; H387-D409 PolarHBondContact ND1-OD1 3.47Å; H387-D409 IonicContact ND1-OD2 2.68Å; H387-D409 PolarHBondContact ND1-OD2 3.45Å; H387-T411 PolarHBondContact CE1-OG1 2.87Å; H387-T411 PolarHBondContact ND1-OG1 3.16Å; H387-K413 WeakPolarHBondContact ND1-CE 3.37Å
388	F	95.3	Very high	94.9	Very high	180 Å²	180	41.1 Å²	41.1	79%	0.789	20%	0.202	S	C	*	.	S	Bend	trans	-94.3	-16.8	-179.5	-64.8	-73.4	0	0	0	113.2	D409	F388-D409 HydrophobicContact CB-CB 4.06Å; F388-D409 PolarHBondContact N-OD2 2.95Å
389	D	96.8	Very high	94.8	Very high	57 Å²	57	45.1 Å²	45.1	31%	0.305	23%	0.229	S	C	.	.	S	Bend	trans	-143.4	-174.4	175	-145	-32.3	0	0	0	111.4	S407 E408 K675 A699	D389-S407 PolarHBondContact O-OG 3.33Å; D389-E408 HydrophobicContact CB-CB 4.14Å; D389-K675 IonicContact OD1-NZ 3.75Å; D389-K675 PolarHBondContact OD1-NZ 3.14Å; D389-K675 IonicContact OD2-NZ 2.75Å; D389-A699 WeakPolarHBondContact O-CA 3.45Å; D389-A699 WeakPolarHBondContact O-CB 3.49Å
390	G	97	Very high	94.8	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.222	C	C	.	.			trans	-46.6	135.4	-172.9	0	0	0	0	0	113.8	S407 E408	G390-S407 CarbonylContact O-C 3.58Å; G390-S407 WeakPolarHBondContact O-CA 3.47Å; G390-S407 WeakPolarHBondContact O-CB 3.49Å; G390-S407 PolarHBondContact O-OG 2.83Å; G390-E408 PolarHBondContact O-N 3.43Å
391	V	98.4	Very high	94.8	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	108.4	180	-174	0	0	0	0	108.2	H387 L394 V406 Y681 A695 G696 A701	H387-V391 HydrophobicContact CB-CG2 3.94Å; V391-L394 HydrophobicContact CG1-CD2 4.39Å; V391-V406 CarbonylContact C-O 3.58Å; V391-V406 WeakPolarHBondContact CA-O 3.23Å; V391-V406 VanDerWaalsContact CG1-O 3.3Å; V391-V406 WeakPolarHBondContact CG1-O 3.23Å; V391-Y681 WeakPolarHBondContact O-CD2 3.26Å; V391-A695 HydrophobicContact CB-CB 3.89Å; V391-A695 HydrophobicContact CG1-CB 3.68Å; V391-A695 VanDerWaalsContact O-CB 3.28Å; V391-A695 WeakPolarHBondContact O-CB 3.38Å; V391-G696 PolarHBondContact N-O 2.99Å; V391-G696 PolarHBondContact O-N 2.86Å; V391-A701 HydrophobicContact CG1-CB 4.47Å
392	R	97.9	Very high	94.9	Very high	66 Å²	66	37.8 Å²	37.8	25%	0.249	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	-32.1	-164	-66.5	-64.7	-63.7	-127.2	9.3	115.2	V406 E408 V444	R392-V406 HydrophobicContact CB-CG2 4.29Å; R392-V406 PolarHBondContact N-O 2.89Å; R392-E408 WeakPolarHBondContact CD-OE1 3.43Å; R392-E408 HydrophobicContact CG-CG 3.56Å; R392-E408 IonicContact CZ-OE1 3.97Å; R392-E408 IonicContact NE-OE1 2.87Å; R392-E408 IonicContact NH1-OE1 3.25Å; R392-E408 PolarHBondContact NH1-OE1 2.98Å; R392-V444 WeakPolarHBondContact CB-O 3.44Å
393	A	98.1	Very high	95.2	Very high	7 Å²	7	36.7 Å²	36.7	6%	0.058	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	157	-178.4	0	0	0	0	0	113.1	V406 L447 D682	A393-V406 HydrophobicContact CB-CG2 3.81Å; A393-V406 PolarHBondContact O-N 3.44Å; A393-V406 VanDerWaalsContact O-N 3.16Å; A393-L447 HydrophobicContact CB-CB 3.84Å; A393-D682 WeakPolarHBondContact CA-OD2 3.44Å
394	L	97.9	Very high	95.4	Very high	8 Å²	8	35.4 Å²	35.4	4%	0.042	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	139	-174.9	-65.4	-179.7	0	0	0	112.9	V391 L403 T405 D682 T684 A693 S694 A695 A701	V391-L394 HydrophobicContact CG1-CD2 4.39Å; L394-L403 HydrophobicContact CD2-CD2 4.24Å; L394-T405 HydrophobicContact CD2-CG2 3.47Å; L394-T405 VanDerWaalsContact CD2-CG2 3.47Å; L394-D682 PolarHBondContact N-OD2 2.74Å; L394-T684 HydrophobicContact CB-CG2 3.51Å; L394-T684 HydrophobicContact CD1-CG2 4.09Å; L394-T684 HydrophobicContact CG-CG2 4.48Å; L394-A693 HydrophobicContact CD1-CB 3.75Å; L394-S694 VanDerWaalsContact CD1-C 3.41Å; L394-A695 HydrophobicContact CD1-CB 3.68Å; L394-A695 HydrophobicContact CD2-CB 3.86Å; L394-A695 HydrophobicContact CG-CB 3.58Å; L394-A701 HydrophobicContact CD2-CB 4.17Å
395	A	97.8	Very high	95.5	Very high	10 Å²	10	35.3 Å²	35.3	8%	0.083	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	123.8	167	0	0	0	0	0	111.7	V404 L447 M449	A395-V404 PolarHBondContact N-O 3.32Å; A395-V404 PolarHBondContact O-N 3.47Å; A395-L447 HydrophobicContact CB-CD2 3.63Å; A395-L447 HydrophobicContact CB-CG 3.84Å; A395-M449 HydrophobicContact CB-CB 4.04Å; A395-M449 HydrophobicContact CB-CE 4.29Å
396	F	97.4	Very high	95.8	Very high	8 Å²	8	30.3 Å²	30.3	4%	0.035	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	143.2	168.1	-79.8	-74.7	0	0	0	111	L403 L417 T684 H686 Y691 A693 V703	F396-L403 HydrophobicContact CD1-CB 4.4Å; F396-L403 HydrophobicContact CD1-CD1 3.81Å; F396-L403 HydrophobicContact CD2-CD1 4.17Å; F396-L403 HydrophobicContact CE1-CB 4.49Å; F396-L403 HydrophobicContact CE1-CD1 3.94Å; F396-L403 HydrophobicContact CE2-CD1 4.3Å; F396-L403 HydrophobicContact CG-CD1 3.93Å; F396-L403 HydrophobicContact CZ-CD1 4.18Å; F396-L417 HydrophobicContact CD1-CD1 4.48Å; F396-L417 HydrophobicContact CE1-CD1 3.84Å; F396-T684 HydrophobicContact CD2-CG2 3.74Å; F396-T684 HydrophobicContact CE2-CG2 3.82Å; F396-H686 HydrophobicContact CB-CB 4.19Å; F396-H686 HydrophobicContact CD1-CB 4.07Å; F396-H686 AromaticContact CD1-CD2 3.64Å; F396-H686 VanDerWaalsContact CD2-CA 3.5Å; F396-H686 HydrophobicContact CD2-CB 3.73Å; F396-H686 HydrophobicContact CE1-CB 4.35Å; F396-H686 HydrophobicContact CE2-CB 4.03Å; F396-H686 HydrophobicContact CG-CB 3.74Å; F396-H686 AromaticContact CG-CG 3.96Å; F396-H686 HydrophobicContact CZ-CB 4.33Å; F396-Y691 HydrophobicContact CE1-CG 4.41Å; F396-A693 HydrophobicContact CE2-CB 3.71Å; F396-A693 HydrophobicContact CZ-CB 3.6Å; F396-V703 HydrophobicContact CZ-CG1 4.45Å
397	H	96.2	Very high	96	Very high	19 Å²	19	28.6 Å²	28.6	9%	0.088	15%	0.145	C	C	.	.			trans	-66.7	131.1	164.8	-172.2	-64.9	0	0	0	109.7	V399 E400 C402 M449 G453 H686	H397-V399 PolarHBondContact ND1-N 3.1Å; H397-V399 VanDerWaalsContact ND1-N 3.16Å; H397-V399 PolarHBondContact O-N 3.05Å; H397-E400 HydrophobicContact CB-CB 4.44Å; H397-E400 PolarHBondContact ND1-N 2.88Å; H397-C402 HydrophobicContact CB-CB 3.95Å; H397-C402 PolarHBondContact N-O 3.45Å; H397-M449 VanDerWaalsContact CA-SD 3.58Å; H397-M449 HydrophobicContact CB-SD 4.12Å; H397-G453 PolarHBondContact CD2-O 2.6Å; H397-G453 PolarHBondContact NE2-O 3.4Å; H397-H686 PolarHBondContact O-CE1 3.28Å
398	P	92.9	Very high	96.1	Very high	21 Å²	21	29.8 Å²	29.8	14%	0.136	15%	0.151	C	C	.	.	S	Bend	trans	-64.4	-38.2	-172.2	22	-33	0	0	0	113.5	S451 H686 P687 S688	P398-S451 WeakPolarHBondContact CG-O 3.37Å; P398-H686 PolarHBondContact O-CE1 2.72Å; P398-P687 HydrophobicContact CB-CB 4.47Å; P398-P687 HydrophobicContact CB-CG 4.37Å; P398-S688 PolarHBondContact O-OG 2.76Å
399	V	88.9	Confident	96.2	Very high	107 Å²	107	22.6 Å²	22.6	65%	0.648	12%	0.12	S	C	*	.	S	Bend	trans	-100.3	-58.5	-178.6	-173.8	0	0	0	0	113.5	H397 K689	H397-V399 PolarHBondContact ND1-N 3.1Å; H397-V399 VanDerWaalsContact ND1-N 3.16Å; H397-V399 PolarHBondContact O-N 3.05Å; V399-K689 PolarHBondContact O-NZ 3.25Å
400	E	90.3	Very high	96.2	Very high	69 Å²	69	24.1 Å²	24.1	32%	0.322	13%	0.125	S	C	.	.	S	Bend	trans	-70	154.8	178.8	-60.5	-155.1	161.5	0	0	113.5	H397 C402 S473 K689	H397-E400 HydrophobicContact CB-CB 4.44Å; H397-E400 PolarHBondContact ND1-N 2.88Å; E400-C402 HydrophobicContact CB-CB 4.47Å; E400-C402 PolarHBondContact O-N 2.87Å; E400-S473 WeakPolarHBondContact OE2-CB 3.49Å; E400-S473 PolarHBondContact OE2-OG 3.42Å; E400-K689 VanDerWaalsContact C-NZ 3.32Å; E400-K689 PolarHBondContact O-NZ 3.09Å; E400-K689 VanDerWaalsContact O-NZ 3.16Å
401	P	91.3	Very high	96.2	Very high	30 Å²	30	24.9 Å²	24.9	20%	0.195	13%	0.13	C	C	.	.	S	Bend	trans	-80.2	58.2	173.3	35	-35.1	0	0	0	111	L417 T418 K689	P401-L417 WeakPolarHBondContact O-CB 3.37Å; P401-L417 WeakPolarHBondContact O-CG 3.48Å; P401-L417 PolarHBondContact O-N 3.25Å; P401-T418 HydrophobicContact CB-CG2 4.13Å; P401-T418 HydrophobicContact CG-CG2 3.48Å; P401-T418 VanDerWaalsContact CG-CG2 3.48Å; P401-K689 HydrophobicContact CB-CD 4.49Å
402	C	94.1	Very high	96.2	Very high	2 Å²	2	24.9 Å²	24.9	1%	0.014	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	152.5	-178.6	-66.1	0	0	0	0	111	H397 E400 L414 W415	H397-C402 HydrophobicContact CB-CB 3.95Å; H397-C402 PolarHBondContact N-O 3.45Å; E400-C402 HydrophobicContact CB-CB 4.47Å; E400-C402 PolarHBondContact O-N 2.87Å; C402-L414 HydrophobicContact CB-CD1 4.1Å; C402-W415 VanDerWaalsContact CA-O 3.23Å; C402-W415 WeakPolarHBondContact CA-O 3.25Å
403	L	96.8	Very high	96.1	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	137.7	176.5	-176.6	71.9	0	0	0	108.6	L384 L394 F396 T405 W415 L417 A693 V703	L384-L403 HydrophobicContact CD1-CD2 3.66Å; L394-L403 HydrophobicContact CD2-CD2 4.24Å; F396-L403 HydrophobicContact CD1-CB 4.4Å; F396-L403 HydrophobicContact CD1-CD1 3.81Å; F396-L403 HydrophobicContact CD2-CD1 4.17Å; F396-L403 HydrophobicContact CE1-CB 4.49Å; F396-L403 HydrophobicContact CE1-CD1 3.94Å; F396-L403 HydrophobicContact CE2-CD1 4.3Å; F396-L403 HydrophobicContact CG-CD1 3.93Å; F396-L403 HydrophobicContact CZ-CD1 4.18Å; L403-T405 HydrophobicContact CD2-CG2 3.83Å; L403-T405 HydrophobicContact CG-CG2 4.03Å; L403-W415 PolarHBondContact N-O 2.69Å; L403-W415 PolarHBondContact O-N 2.65Å; L403-L417 HydrophobicContact CB-CD1 4.38Å; L403-A693 HydrophobicContact CD1-CB 4.16Å; L403-A693 HydrophobicContact CD2-CB 4.08Å; L403-V703 HydrophobicContact CD2-CG2 4.06Å
404	V	98	Very high	96	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	135.8	164.6	179.9	0	0	0	0	108.6	A395 L412 K413 L414 L447 M449 I470	A395-V404 PolarHBondContact N-O 3.32Å; A395-V404 PolarHBondContact O-N 3.47Å; V404-L412 HydrophobicContact CG1-CB 4.44Å; V404-L412 HydrophobicContact CG1-CD2 4.37Å; V404-K413 WeakPolarHBondContact CA-O 3.38Å; V404-L414 HydrophobicContact CG2-CD1 3.53Å; V404-L447 HydrophobicContact CB-CD2 3.92Å; V404-L447 HydrophobicContact CG1-CD1 4.03Å; V404-L447 HydrophobicContact CG1-CD2 3.75Å; V404-L447 VanDerWaalsContact O-CD2 3.3Å; V404-L447 WeakPolarHBondContact O-CD2 3.46Å; V404-M449 HydrophobicContact CB-CE 4Å; V404-M449 HydrophobicContact CG2-CE 3.52Å; V404-I470 HydrophobicContact CG2-CD1 4.1Å
405	T	98.4	Very high	95.9	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	146.7	178.3	65.7	0	0	0	0	109.4	H387 L394 L403 L412 K413 W415 A701	H387-T405 PolarHBondContact CD2-OG1 2.93Å; H387-T405 PolarHBondContact NE2-OG1 2.79Å; L394-T405 HydrophobicContact CD2-CG2 3.47Å; L394-T405 VanDerWaalsContact CD2-CG2 3.47Å; L403-T405 HydrophobicContact CD2-CG2 3.83Å; L403-T405 HydrophobicContact CG-CG2 4.03Å; T405-L412 CarbonylContact O-C 3.45Å; T405-L412 WeakPolarHBondContact O-CA 3.4Å; T405-K413 PolarHBondContact N-O 2.89Å; T405-K413 PolarHBondContact O-N 3.44Å; T405-W415 PolarHBondContact OG1-NE1 3.29Å; T405-A701 HydrophobicContact CG2-CB 4.03Å
406	V	98.5	Very high	95.6	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	151.7	176.5	-41.6	0	0	0	0	110.7	V391 R392 A393 L412 V444 L447	V391-V406 CarbonylContact C-O 3.58Å; V391-V406 WeakPolarHBondContact CA-O 3.23Å; V391-V406 VanDerWaalsContact CG1-O 3.3Å; V391-V406 WeakPolarHBondContact CG1-O 3.23Å; R392-V406 HydrophobicContact CB-CG2 4.29Å; R392-V406 PolarHBondContact N-O 2.89Å; A393-V406 HydrophobicContact CB-CG2 3.81Å; A393-V406 PolarHBondContact O-N 3.44Å; A393-V406 VanDerWaalsContact O-N 3.16Å; V406-L412 HydrophobicContact CB-CG 4.14Å; V406-L412 HydrophobicContact CG1-CB 4.19Å; V406-L412 HydrophobicContact CG1-CD2 3.7Å; V406-L412 HydrophobicContact CG1-CG 3.61Å; V406-V444 HydrophobicContact CB-CB 3.93Å; V406-V444 HydrophobicContact CB-CG1 3.67Å; V406-V444 HydrophobicContact CG1-CG1 4.12Å; V406-V444 HydrophobicContact CG2-CB 4.18Å; V406-V444 HydrophobicContact CG2-CG1 3.9Å; V406-L447 HydrophobicContact CG1-CB 3.74Å; V406-L447 HydrophobicContact CG1-CD1 3.94Å; V406-L447 HydrophobicContact CG1-CD2 3.8Å; V406-L447 HydrophobicContact CG1-CG 4.03Å; V406-L447 HydrophobicContact CG2-CB 4.47Å
407	S	98.4	Very high	95.3	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	161.6	-171.1	174.3	0	0	0	0	114.1	H387 D389 G390 D409 H410 T411 V444	H387-S407 VanDerWaalsContact CE1-CB 3.42Å; H387-S407 WeakPolarHBondContact CE1-CB 3.35Å; H387-S407 WeakPolarHBondContact ND1-CB 3.29Å; D389-S407 PolarHBondContact O-OG 3.33Å; G390-S407 CarbonylContact O-C 3.58Å; G390-S407 WeakPolarHBondContact O-CA 3.47Å; G390-S407 WeakPolarHBondContact O-CB 3.49Å; G390-S407 PolarHBondContact O-OG 2.83Å; S407-D409 WeakPolarHBondContact CB-OD1 3.3Å; S407-D409 PolarHBondContact O-N 2.99Å; S407-D409 PolarHBondContact OG-N 3.33Å; S407-H410 PolarHBondContact O-N 2.86Å; S407-T411 PolarHBondContact N-O 3.21Å; S407-T411 VanDerWaalsContact N-O 3.15Å; S407-V444 PolarHBondContact O-N 2.86Å
408	E	97.7	Very high	94.9	Very high	42 Å²	42	24.5 Å²	24.5	20%	0.196	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-10.9	167.3	-54.6	-178.8	132.4	0	0	112.4	D389 G390 R392 H410 P443	D389-E408 HydrophobicContact CB-CB 4.14Å; G390-E408 PolarHBondContact O-N 3.43Å; R392-E408 WeakPolarHBondContact CD-OE1 3.43Å; R392-E408 HydrophobicContact CG-CG 3.56Å; R392-E408 IonicContact CZ-OE1 3.97Å; R392-E408 IonicContact NE-OE1 2.87Å; R392-E408 IonicContact NH1-OE1 3.25Å; R392-E408 PolarHBondContact NH1-OE1 2.98Å; E408-H410 PolarHBondContact O-CD2 3.47Å; E408-H410 PolarHBondContact O-N 2.81Å; E408-H410 VanDerWaalsContact O-N 3.15Å; E408-P443 HydrophobicContact CB-CB 4.21Å; E408-P443 HydrophobicContact CB-CG 4.29Å; E408-P443 HydrophobicContact CG-CB 4.28Å
409	D	97.2	Very high	94.3	Very high	28 Å²	28	27.6 Å²	27.6	15%	0.15	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	11.4	169	77.6	10.9	0	0	0	115.2	H387 F388 S407 T411	H387-D409 WeakPolarHBondContact CA-OD2 3.36Å; H387-D409 WeakPolarHBondContact CB-OD2 3.47Å; H387-D409 IonicContact CE1-OD1 2.8Å; H387-D409 IonicContact CG-OD2 2.65Å; H387-D409 IonicContact ND1-OD1 3.42Å; H387-D409 PolarHBondContact ND1-OD1 3.47Å; H387-D409 IonicContact ND1-OD2 2.68Å; H387-D409 PolarHBondContact ND1-OD2 3.45Å; F388-D409 HydrophobicContact CB-CB 4.06Å; F388-D409 PolarHBondContact N-OD2 2.95Å; S407-D409 WeakPolarHBondContact CB-OD1 3.3Å; S407-D409 PolarHBondContact O-N 2.99Å; S407-D409 PolarHBondContact OG-N 3.33Å; D409-T411 PolarHBondContact O-N 3.15Å; D409-T411 WeakPolarHBondContact OD1-CA 3.43Å; D409-T411 VanDerWaalsContact OD1-CB 3.31Å; D409-T411 WeakPolarHBondContact OD1-CB 3.46Å; D409-T411 PolarHBondContact OD1-N 2.94Å; D409-T411 PolarHBondContact OD1-OG1 3.03Å
410	H	97.2	Very high	93.7	Very high	90 Å²	90	25.7 Å²	25.7	42%	0.417	14%	0.135	S	C	.	.	S	Bend	trans	66.6	4.9	-178.1	-42.9	172.3	0	0	0	114.9	S407 E408 G442 P443	S407-H410 PolarHBondContact O-N 2.86Å; E408-H410 PolarHBondContact O-CD2 3.47Å; E408-H410 PolarHBondContact O-N 2.81Å; E408-H410 VanDerWaalsContact O-N 3.15Å; H410-G442 WeakPolarHBondContact CA-O 3.29Å; H410-G442 WeakPolarHBondContact CB-O 3.39Å; H410-G442 VanDerWaalsContact CD2-CA 3.5Å; H410-G442 WeakPolarHBondContact CD2-CA 3.45Å; H410-G442 PolarHBondContact CD2-O 2.89Å; H410-P443 VanDerWaalsContact CD2-N 3.28Å
411	T	97.3	Very high	92.6	Very high	16 Å²	16	24.1 Å²	24.1	10%	0.098	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	159	-178.5	77.7	0	0	0	0	113.3	H387 S407 D409 T436 R438	H387-T411 PolarHBondContact CE1-OG1 2.87Å; H387-T411 PolarHBondContact ND1-OG1 3.16Å; S407-T411 PolarHBondContact N-O 3.21Å; S407-T411 VanDerWaalsContact N-O 3.15Å; D409-T411 PolarHBondContact O-N 3.15Å; D409-T411 WeakPolarHBondContact OD1-CA 3.43Å; D409-T411 VanDerWaalsContact OD1-CB 3.31Å; D409-T411 WeakPolarHBondContact OD1-CB 3.46Å; D409-T411 PolarHBondContact OD1-N 2.94Å; D409-T411 PolarHBondContact OD1-OG1 3.03Å; T411-T436 HydrophobicContact CG2-CG2 4.02Å; T411-R438 HydrophobicContact CG2-CG 4.14Å
412	L	97.7	Very high	91	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	151.4	160.5	-50.1	74.7	0	0	0	108.5	V404 T405 V406 T436 F437 V444 L447 W468	V404-L412 HydrophobicContact CG1-CB 4.44Å; V404-L412 HydrophobicContact CG1-CD2 4.37Å; T405-L412 CarbonylContact O-C 3.45Å; T405-L412 WeakPolarHBondContact O-CA 3.4Å; V406-L412 HydrophobicContact CB-CG 4.14Å; V406-L412 HydrophobicContact CG1-CB 4.19Å; V406-L412 HydrophobicContact CG1-CD2 3.7Å; V406-L412 HydrophobicContact CG1-CG 3.61Å; L412-T436 CarbonylContact O-C 3.59Å; L412-T436 WeakPolarHBondContact O-CA 3.46Å; L412-F437 HydrophobicContact CB-CB 4.03Å; L412-F437 HydrophobicContact CB-CD2 3.69Å; L412-F437 HydrophobicContact CB-CG 4.2Å; L412-F437 HydrophobicContact CD1-CB 4.15Å; L412-F437 PolarHBondContact N-O 2.59Å; L412-F437 PolarHBondContact O-N 3.45Å; L412-V444 HydrophobicContact CD1-CG1 4.38Å; L412-V444 HydrophobicContact CD1-CG2 4.22Å; L412-V444 HydrophobicContact CG-CG1 4.46Å; L412-L447 HydrophobicContact CD2-CD1 4.26Å; L412-W468 HydrophobicContact CD1-CZ2 3.95Å
413	K	96.3	Very high	89.2	Confident	8 Å²	8	31.7 Å²	31.7	4%	0.035	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	134.4	177.3	-66.2	173	-166.3	-93.2	0	111	S386 H387 V404 T405 W415 P433 Y435 T436	S386-K413 VanDerWaalsContact C-CE 3.49Å; S386-K413 WeakPolarHBondContact O-CE 3.48Å; S386-K413 PolarHBondContact O-NZ 2.94Å; S386-K413 PolarHBondContact OG-NZ 3.19Å; H387-K413 WeakPolarHBondContact ND1-CE 3.37Å; V404-K413 WeakPolarHBondContact CA-O 3.38Å; T405-K413 PolarHBondContact N-O 2.89Å; T405-K413 PolarHBondContact O-N 3.44Å; K413-W415 HydrophobicContact CB-CZ2 4.12Å; K413-W415 HydrophobicContact CD-CZ2 3.87Å; K413-W415 VanDerWaalsContact O-CD1 3.32Å; K413-W415 PolarHBondContact O-NE1 2.91Å; K413-P433 HydrophobicContact CB-CB 4.03Å; K413-P433 HydrophobicContact CD-CB 4.34Å; K413-P433 HydrophobicContact CD-CG 4.46Å; K413-P433 HydrophobicContact CG-CB 4.32Å; K413-Y435 WeakPolarHBondContact CA-O 3.21Å; K413-T436 HydrophobicContact CG-CG2 4.14Å
414	L	95.9	Very high	87.1	Confident	2 Å²	2	41.6 Å²	41.6	1%	0.01	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	130.4	171.6	179.8	66.9	0	0	0	109	C402 V404 P433 I434 Y435 F437 I470 P471	C402-L414 HydrophobicContact CB-CD1 4.1Å; V404-L414 HydrophobicContact CG2-CD1 3.53Å; L414-P433 CarbonylContact O-C 3.51Å; L414-P433 VanDerWaalsContact O-CA 3.3Å; L414-P433 WeakPolarHBondContact O-CA 3.38Å; L414-I434 HydrophobicContact CB-CG1 4.17Å; L414-I434 HydrophobicContact CD2-CD1 3.57Å; L414-I434 HydrophobicContact CD2-CG1 3.95Å; L414-I434 HydrophobicContact CG-CD1 3.8Å; L414-I434 HydrophobicContact CG-CG1 3.79Å; L414-I434 VanDerWaalsContact O-CG1 3.3Å; L414-I434 WeakPolarHBondContact O-CG1 3.37Å; L414-I434 PolarHBondContact O-N 3.42Å; L414-Y435 PolarHBondContact N-O 3.15Å; L414-Y435 PolarHBondContact O-N 2.81Å; L414-F437 HydrophobicContact CB-CE2 3.87Å; L414-F437 HydrophobicContact CB-CZ 4.28Å; L414-I470 HydrophobicContact CD2-CG2 4.26Å; L414-P471 HydrophobicContact CD2-CG 3.89Å
415	W	94.8	Very high	85.1	Confident	1 Å²	1	51.2 Å²	51.2	0%	0.004	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	129.6	-176.5	-50.9	80.3	0	0	0	110.1	L384 C402 L403 T405 K413 V431 P433	L384-W415 HydrophobicContact CB-CD2 4.16Å; L384-W415 HydrophobicContact CB-CE3 3.99Å; L384-W415 HydrophobicContact CB-CH2 3.72Å; L384-W415 HydrophobicContact CB-CZ2 3.93Å; L384-W415 HydrophobicContact CB-CZ3 3.77Å; L384-W415 HydrophobicContact CD1-CB 4.33Å; L384-W415 HydrophobicContact CD1-CD2 3.93Å; L384-W415 HydrophobicContact CD1-CE3 4.35Å; L384-W415 HydrophobicContact CD1-CG 3.94Å; L384-W415 HydrophobicContact CD2-CD2 4.26Å; L384-W415 HydrophobicContact CD2-CE3 3.86Å; L384-W415 HydrophobicContact CD2-CZ3 4.26Å; L384-W415 HydrophobicContact CG-CD2 4.34Å; L384-W415 HydrophobicContact CG-CE3 4.28Å; C402-W415 VanDerWaalsContact CA-O 3.23Å; C402-W415 WeakPolarHBondContact CA-O 3.25Å; L403-W415 PolarHBondContact N-O 2.69Å; L403-W415 PolarHBondContact O-N 2.65Å; T405-W415 PolarHBondContact OG1-NE1 3.29Å; K413-W415 HydrophobicContact CB-CZ2 4.12Å; K413-W415 HydrophobicContact CD-CZ2 3.87Å; K413-W415 VanDerWaalsContact O-CD1 3.32Å; K413-W415 PolarHBondContact O-NE1 2.91Å; W415-V431 HydrophobicContact CE3-CG1 4.43Å; W415-V431 WeakPolarHBondContact CZ3-O 3.34Å; W415-P433 HydrophobicContact CD2-CB 4.12Å; W415-P433 HydrophobicContact CE3-CB 4.06Å; W415-P433 HydrophobicContact CH2-CB 4.44Å; W415-P433 HydrophobicContact CH2-CG 4.49Å; W415-P433 HydrophobicContact CZ2-CB 4.45Å; W415-P433 HydrophobicContact CZ3-CB 4.23Å; W415-P433 HydrophobicContact CZ3-CG 4.33Å
416	N	92.2	Very high	82.8	Confident	4 Å²	4	52.6 Å²	52.6	2%	0.021	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	106.5	176.6	-178.8	-24.9	0	0	0	110.2	T418 K419 V431 I434 S473	N416-T418 PolarHBondContact O-N 2.97Å; N416-T418 PolarHBondContact OD1-N 2.91Å; N416-T418 PolarHBondContact OD1-OG1 2.82Å; N416-K419 HydrophobicContact CB-CB 4.28Å; N416-K419 HydrophobicContact CB-CD 4.39Å; N416-K419 HydrophobicContact CB-CG 4.43Å; N416-K419 PolarHBondContact O-N 2.95Å; N416-K419 PolarHBondContact OD1-N 2.89Å; N416-V431 WeakPolarHBondContact O-CG1 3.49Å; N416-I434 HydrophobicContact CB-CD1 4.04Å; N416-I434 HydrophobicContact CB-CG1 4.36Å; N416-I434 HydrophobicContact CB-CG2 3.95Å; N416-S473 PolarHBondContact ND2-O 2.98Å
417	L	91.3	Very high	80.5	Confident	1 Å²	1	58.3 Å²	58.3	1%	0.005	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	8.1	-174.6	-50.1	174.9	0	0	0	113.7	Y382 L384 F396 P401 L403 V703	Y382-L417 HydrophobicContact CD2-CD2 4.07Å; Y382-L417 HydrophobicContact CE2-CB 4.06Å; Y382-L417 HydrophobicContact CE2-CD2 4.44Å; Y382-L417 PolarHBondContact OH-O 3.05Å; L384-L417 HydrophobicContact CD2-CD2 4.45Å; F396-L417 HydrophobicContact CD1-CD1 4.48Å; F396-L417 HydrophobicContact CE1-CD1 3.84Å; P401-L417 WeakPolarHBondContact O-CB 3.37Å; P401-L417 WeakPolarHBondContact O-CG 3.48Å; P401-L417 PolarHBondContact O-N 3.25Å; L403-L417 HydrophobicContact CB-CD1 4.38Å; L417-V703 HydrophobicContact CD1-CG1 4.19Å; L417-V703 HydrophobicContact CD2-CG2 4.23Å
418	T	87.8	Confident	78.5	Confident	93 Å²	93	60.8 Å²	60.8	57%	0.571	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.5	-16.6	165.8	58.8	0	0	0	0	113.7	P401 N416 T420	P401-T418 HydrophobicContact CB-CG2 4.13Å; P401-T418 HydrophobicContact CG-CG2 3.48Å; P401-T418 VanDerWaalsContact CG-CG2 3.48Å; N416-T418 PolarHBondContact O-N 2.97Å; N416-T418 PolarHBondContact OD1-N 2.91Å; N416-T418 PolarHBondContact OD1-OG1 2.82Å; T418-T420 PolarHBondContact O-N 2.89Å
419	K	80.9	Confident	76.8	Confident	86 Å²	86	62.5 Å²	62.5	37%	0.374	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	71	179	-69.2	-177.7	179.2	173.5	0	110.3	N416 S473 N474	N416-K419 HydrophobicContact CB-CB 4.28Å; N416-K419 HydrophobicContact CB-CD 4.39Å; N416-K419 HydrophobicContact CB-CG 4.43Å; N416-K419 PolarHBondContact O-N 2.95Å; N416-K419 PolarHBondContact OD1-N 2.89Å; K419-S473 PolarHBondContact NZ-O 3.25Å; K419-N474 WeakPolarHBondContact CE-OD1 3.1Å; K419-N474 PolarHBondContact NZ-OD1 3.45Å
420	T	75.4	Confident	75.5	Confident	68 Å²	68	64.4 Å²	64.4	42%	0.417	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	135.6	174.6	54.5	0	0	0	0	111.1	Y382 T418 D430 V431	Y382-T420 HydrophobicContact CD1-CG2 4.45Å; Y382-T420 HydrophobicContact CE1-CG2 3.45Å; Y382-T420 VanDerWaalsContact CE1-CG2 3.45Å; Y382-T420 WeakPolarHBondContact OH-CG2 3.38Å; T418-T420 PolarHBondContact O-N 2.89Å; T420-D430 WeakPolarHBondContact CA-O 3.27Å; T420-V431 HydrophobicContact CG2-CG2 4.21Å
421	V	68.3	Low	75	Confident	35 Å²	35	60.1 Å²	60.1	21%	0.212	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-72.6	131.9	175.8	-178.2	0	0	0	0	109.5	A423 D430 E432	V421-A423 PolarHBondContact O-N 2.93Å; V421-A423 VanDerWaalsContact O-N 3.16Å; V421-D430 PolarHBondContact N-O 3.37Å; V421-E432 HydrophobicContact CG2-CB 4.35Å; V421-E432 HydrophobicContact CG2-CG 3.8Å
422	P	56.8	Low	74.5	Confident	102 Å²	102	63.7 Å²	63.7	66%	0.662	36%	0.358	S	S	*	.	P	Polyproline II helix	trans	-65.5	116.2	176.3	-22.7	34.4	0	0	0	111.6	K424 K425	P422-K424 PolarHBondContact O-N 2.58Å; P422-K425 PolarHBondContact O-N 3.01Å
423	A	57.3	Low	74.2	Confident	89 Å²	89	64.8 Å²	64.8	74%	0.736	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-3.4	-175.9	0	0	0	0	0	116.6	V421 K425	V421-A423 PolarHBondContact O-N 2.93Å; V421-A423 VanDerWaalsContact O-N 3.16Å; A423-K425 VanDerWaalsContact C-N 3.28Å; A423-K425 PolarHBondContact O-N 3.3Å
424	K	52.7	Low	74	Confident	208 Å²	208	64.9 Å²	64.9	90%	0.904	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-4.4	172.8	-68.2	-168.7	175.2	-172.7	0	114.5	P422	P422-K424 PolarHBondContact O-N 2.58Å
425	K	55.3	Low	73.8	Confident	202 Å²	202	66.8 Å²	66.8	88%	0.878	37%	0.373	S	S	*	.	S	Bend	trans	-121.6	-15.2	178.1	-75.5	-165.8	172.4	-169.9	0	115.7	P422 A423	P422-K425 PolarHBondContact O-N 3.01Å; A423-K425 VanDerWaalsContact C-N 3.28Å; A423-K425 PolarHBondContact O-N 3.3Å
426	S	49.2	Very low	73.8	Confident	29 Å²	29	68 Å²	68	20%	0.203	38%	0.381	C	S	.	.			trans	-152.4	125.3	-177.1	51.2	0	0	0	0	110.9	S428	S426-S428 PolarHBondContact O-N 3.42Å
427	A	50.6	Low	73.9	Confident	120 Å²	120	67.9 Å²	67.9	99%	0.992	38%	0.381	S	S	*	.	S	Bend	trans	-84.9	8.2	176	0	0	0	0	0	113.6
428	S	57	Low	74	Confident	52 Å²	52	75.6 Å²	75.6	36%	0.364	41%	0.409	S	S	.	.	S	Bend	trans	-118.9	-27.8	-163	48.9	0	0	0	0	115.6	R385 S426	R385-S428 VanDerWaalsContact CD-O 3.24Å; R385-S428 WeakPolarHBondContact CD-O 3.5Å; R385-S428 PolarHBondContact NE-O 3.45Å; S426-S428 PolarHBondContact O-N 3.42Å
429	F	60.8	Low	74.2	Confident	78 Å²	78	73 Å²	73	34%	0.342	40%	0.401	S	S	.	.			trans	-129.7	122.4	-168.5	-51.5	-60.9	0	0	0	111.8	R385 E432	R385-F429 HydrophobicContact CB-CD1 4.04Å; R385-F429 HydrophobicContact CB-CE1 4.08Å; R385-F429 WeakPolarHBondContact O-CD1 3.28Å; R385-F429 WeakPolarHBondContact O-CE1 3.39Å; F429-E432 HydrophobicContact CB-CG 4.46Å
430	D	69.9	Low	74.9	Confident	68 Å²	68	69.6 Å²	69.6	36%	0.364	39%	0.387	S	S	.	.	S	Bend	trans	-81.7	-37.1	174.5	-59	-37.6	0	0	0	111.6	Y382 T383 T420 V421	Y382-D430 HydrophobicContact CD1-CB 4.05Å; T383-D430 PolarHBondContact N-OD2 3.36Å; T420-D430 WeakPolarHBondContact CA-O 3.27Å; V421-D430 PolarHBondContact N-O 3.37Å
431	V	86.9	Confident	75.9	Confident	0 Å²	0	73.4 Å²	73.4	0%	0	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	137.3	-179.5	-179.7	0	0	0	0	107.2	Y382 L384 W415 N416 T420	Y382-V431 HydrophobicContact CD1-CG2 3.85Å; Y382-V431 HydrophobicContact CD2-CG2 4.43Å; Y382-V431 HydrophobicContact CE1-CG2 4.12Å; Y382-V431 HydrophobicContact CG-CG2 4.02Å; L384-V431 HydrophobicContact CD2-CB 3.8Å; L384-V431 HydrophobicContact CD2-CG1 4.38Å; L384-V431 HydrophobicContact CD2-CG2 4.31Å; W415-V431 HydrophobicContact CE3-CG1 4.43Å; W415-V431 WeakPolarHBondContact CZ3-O 3.34Å; N416-V431 WeakPolarHBondContact O-CG1 3.49Å; T420-V431 HydrophobicContact CG2-CG2 4.21Å
432	E	87.7	Confident	77.2	Confident	91 Å²	91	72 Å²	72	43%	0.425	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	152.6	173.4	-77.4	170.7	178.7	0	0	111	V421 F429 I434	V421-E432 HydrophobicContact CG2-CB 4.35Å; V421-E432 HydrophobicContact CG2-CG 3.8Å; F429-E432 HydrophobicContact CB-CG 4.46Å; E432-I434 PolarHBondContact O-N 2.93Å
433	P	91.1	Very high	79.2	Confident	23 Å²	23	69 Å²	69	15%	0.149	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	126.9	174.6	31.7	-34.3	0	0	0	109.8	K413 L414 W415 Y435	K413-P433 HydrophobicContact CB-CB 4.03Å; K413-P433 HydrophobicContact CD-CB 4.34Å; K413-P433 HydrophobicContact CD-CG 4.46Å; K413-P433 HydrophobicContact CG-CB 4.32Å; L414-P433 CarbonylContact O-C 3.51Å; L414-P433 VanDerWaalsContact O-CA 3.3Å; L414-P433 WeakPolarHBondContact O-CA 3.38Å; W415-P433 HydrophobicContact CD2-CB 4.12Å; W415-P433 HydrophobicContact CE3-CB 4.06Å; W415-P433 HydrophobicContact CH2-CB 4.44Å; W415-P433 HydrophobicContact CH2-CG 4.49Å; W415-P433 HydrophobicContact CZ2-CB 4.45Å; W415-P433 HydrophobicContact CZ3-CB 4.23Å; W415-P433 HydrophobicContact CZ3-CG 4.33Å; P433-Y435 VanDerWaalsContact C-N 3.34Å
434	I	91.2	Very high	81.1	Confident	11 Å²	11	64.7 Å²	64.7	6%	0.056	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	-17.5	178.1	55.2	157.8	0	0	0	113	L414 N416 E432	L414-I434 HydrophobicContact CB-CG1 4.17Å; L414-I434 HydrophobicContact CD2-CD1 3.57Å; L414-I434 HydrophobicContact CD2-CG1 3.95Å; L414-I434 HydrophobicContact CG-CD1 3.8Å; L414-I434 HydrophobicContact CG-CG1 3.79Å; L414-I434 VanDerWaalsContact O-CG1 3.3Å; L414-I434 WeakPolarHBondContact O-CG1 3.37Å; L414-I434 PolarHBondContact O-N 3.42Å; N416-I434 HydrophobicContact CB-CD1 4.04Å; N416-I434 HydrophobicContact CB-CG1 4.36Å; N416-I434 HydrophobicContact CB-CG2 3.95Å; E432-I434 PolarHBondContact O-N 2.93Å
435	Y	92.6	Very high	83.3	Confident	41 Å²	41	55.7 Å²	55.7	16%	0.161	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	148.4	172.4	-162.6	-96.8	0	0	0	110.8	K413 L414 P433 F437 P471 V485	K413-Y435 WeakPolarHBondContact CA-O 3.21Å; L414-Y435 PolarHBondContact N-O 3.15Å; L414-Y435 PolarHBondContact O-N 2.81Å; P433-Y435 VanDerWaalsContact C-N 3.34Å; Y435-F437 AromaticContact CD1-CD1 3.8Å; Y435-F437 HydrophobicContact CD1-CD1 3.8Å; Y435-F437 AromaticContact CD1-CD2 3.94Å; Y435-F437 HydrophobicContact CD1-CD2 3.94Å; Y435-F437 AromaticContact CD1-CE1 3.92Å; Y435-F437 HydrophobicContact CD1-CE1 3.92Å; Y435-F437 HydrophobicContact CD1-CE2 4.08Å; Y435-F437 AromaticContact CD1-CG 3.81Å; Y435-F437 HydrophobicContact CD1-CG 3.81Å; Y435-F437 HydrophobicContact CD1-CZ 4.07Å; Y435-F437 HydrophobicContact CE1-CB 4.4Å; Y435-F437 AromaticContact CE1-CD1 3.74Å; Y435-F437 HydrophobicContact CE1-CD1 3.74Å; Y435-F437 HydrophobicContact CE1-CE1 4.15Å; Y435-F437 AromaticContact CE1-CG 3.95Å; Y435-F437 HydrophobicContact CE1-CG 3.95Å; Y435-P471 HydrophobicContact CD1-CG 4.16Å; Y435-P471 HydrophobicContact CD2-CG 4.13Å; Y435-P471 HydrophobicContact CG-CG 3.82Å; Y435-V485 HydrophobicContact CE1-CG1 3.69Å
436	T	94.2	Very high	85.3	Confident	28 Å²	28	46.2 Å²	46.2	17%	0.172	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	106	172.3	-59.5	0	0	0	0	109.8	T411 L412 K413 R438	T411-T436 HydrophobicContact CG2-CG2 4.02Å; L412-T436 CarbonylContact O-C 3.59Å; L412-T436 WeakPolarHBondContact O-CA 3.46Å; K413-T436 HydrophobicContact CG-CG2 4.14Å; T436-R438 HydrophobicContact CG2-CG 4.45Å; T436-R438 PolarHBondContact O-NH1 3.21Å
437	F	94.8	Very high	87.6	Confident	1 Å²	1	45.6 Å²	45.6	0%	0.004	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	141.2	177.6	-46.2	-104.5	0	0	0	110	L412 L414 Y435 W468 I470 P471 V485	L412-F437 HydrophobicContact CB-CB 4.03Å; L412-F437 HydrophobicContact CB-CD2 3.69Å; L412-F437 HydrophobicContact CB-CG 4.2Å; L412-F437 HydrophobicContact CD1-CB 4.15Å; L412-F437 PolarHBondContact N-O 2.59Å; L412-F437 PolarHBondContact O-N 3.45Å; L414-F437 HydrophobicContact CB-CE2 3.87Å; L414-F437 HydrophobicContact CB-CZ 4.28Å; Y435-F437 AromaticContact CD1-CD1 3.8Å; Y435-F437 HydrophobicContact CD1-CD1 3.8Å; Y435-F437 AromaticContact CD1-CD2 3.94Å; Y435-F437 HydrophobicContact CD1-CD2 3.94Å; Y435-F437 AromaticContact CD1-CE1 3.92Å; Y435-F437 HydrophobicContact CD1-CE1 3.92Å; Y435-F437 HydrophobicContact CD1-CE2 4.08Å; Y435-F437 AromaticContact CD1-CG 3.81Å; Y435-F437 HydrophobicContact CD1-CG 3.81Å; Y435-F437 HydrophobicContact CD1-CZ 4.07Å; Y435-F437 HydrophobicContact CE1-CB 4.4Å; Y435-F437 AromaticContact CE1-CD1 3.74Å; Y435-F437 HydrophobicContact CE1-CD1 3.74Å; Y435-F437 HydrophobicContact CE1-CE1 4.15Å; Y435-F437 AromaticContact CE1-CG 3.95Å; Y435-F437 HydrophobicContact CE1-CG 3.95Å; F437-W468 HydrophobicContact CB-CD2 4.32Å; F437-W468 HydrophobicContact CB-CE3 4.03Å; F437-W468 HydrophobicContact CB-CH2 4.17Å; F437-W468 HydrophobicContact CB-CZ2 4.45Å; F437-W468 HydrophobicContact CB-CZ3 3.94Å; F437-W468 HydrophobicContact CD1-CB 4.17Å; F437-W468 AromaticContact CD1-CD2 3.97Å; F437-W468 HydrophobicContact CD1-CD2 3.97Å; F437-W468 AromaticContact CD1-CE3 3.73Å; F437-W468 HydrophobicContact CD1-CE3 3.73Å; F437-W468 HydrophobicContact CD1-CG 4.18Å; F437-W468 HydrophobicContact CD1-CZ3 4.42Å; F437-W468 HydrophobicContact CE1-CB 4.12Å; F437-W468 HydrophobicContact CG-CD2 4.48Å; F437-W468 HydrophobicContact CG-CE3 4.33Å; F437-I470 HydrophobicContact CZ-CD1 4.08Å; F437-P471 HydrophobicContact CE1-CG 4.5Å; F437-P471 HydrophobicContact CZ-CG 4.39Å; F437-V485 HydrophobicContact CD1-CG1 3.53Å; F437-V485 HydrophobicContact CE1-CG1 3.6Å
438	R	93.7	Very high	89.9	Confident	162 Å²	162	40.3 Å²	40.3	61%	0.611	21%	0.212	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-141.9	135.4	-179.9	-63.6	-178.4	177.4	85.8	-8.7	109	T411 T436	T411-R438 HydrophobicContact CG2-CG 4.14Å; T436-R438 HydrophobicContact CG2-CG 4.45Å; T436-R438 PolarHBondContact O-NH1 3.21Å
439	G	91.6	Very high	91.7	Very high	39 Å²	39	38.9 Å²	38.9	40%	0.402	20%	0.2	S	C	.	.			trans	167.2	-23.2	-179.6	0	0	0	0	0	115.3
440	H	95.9	Very high	93.4	Very high	14 Å²	14	35.5 Å²	35.5	7%	0.065	19%	0.186	C	C	.	.			trans	-68	151.5	168.5	-82.1	-71.8	0	0	0	112	V444 S458 G460 D462 T464 Q466	H440-V444 HydrophobicContact CB-CG2 3.87Å; H440-S458 PolarHBondContact CE1-O 3.2Å; H440-S458 VanDerWaalsContact CE1-O 3.31Å; H440-S458 PolarHBondContact NE2-O 3.28Å; H440-S458 VanDerWaalsContact NE2-O 3.16Å; H440-S458 PolarHBondContact NE2-OG 3.44Å; H440-G460 PolarHBondContact CE1-N 3.17Å; H440-G460 VanDerWaalsContact CE1-N 3.3Å; H440-D462 VanDerWaalsContact CA-OD2 3.29Å; H440-D462 WeakPolarHBondContact CA-OD2 3.36Å; H440-D462 WeakPolarHBondContact CB-OD2 3.46Å; H440-D462 IonicContact CE1-OD1 3.49Å; H440-D462 IonicContact CG-OD2 3.62Å; H440-D462 IonicContact ND1-OD1 3.28Å; H440-D462 PolarHBondContact ND1-OD1 2.88Å; H440-D462 IonicContact ND1-OD2 2.77Å; H440-D462 PolarHBondContact ND1-OD2 2.86Å; H440-T464 PolarHBondContact ND1-OG1 2.86Å; H440-Q466 VanDerWaalsContact CE1-CG 3.49Å; H440-Q466 WeakPolarHBondContact CE1-CG 3.35Å
441	I	95.6	Very high	94.4	Very high	149 Å²	149	35.9 Å²	35.9	76%	0.764	19%	0.193	S	C	*	.	S	Bend	trans	-110.5	55.7	-178.3	-45.1	-177.9	0	0	0	109.4	D462	I441-D462 HydrophobicContact CB-CB 4.24Å; I441-D462 PolarHBondContact N-OD2 2.6Å
442	G	96.6	Very high	94.6	Very high	5 Å²	5	38.5 Å²	38.5	5%	0.052	21%	0.212	C	C	.	.	S	Bend	trans	144.9	-178.4	-177.5	0	0	0	0	0	111.8	H410 V444	H410-G442 WeakPolarHBondContact CA-O 3.29Å; H410-G442 WeakPolarHBondContact CB-O 3.39Å; H410-G442 VanDerWaalsContact CD2-CA 3.5Å; H410-G442 WeakPolarHBondContact CD2-CA 3.45Å; H410-G442 PolarHBondContact CD2-O 2.89Å; G442-V444 PolarHBondContact O-N 2.87Å
443	P	97.9	Very high	94.8	Very high	38 Å²	38	34.2 Å²	34.2	25%	0.247	19%	0.192	C	C	.	.			trans	-43.8	132.7	173.2	-36.9	37.8	0	0	0	114.6	E408 H410 L445 G460 I461	E408-P443 HydrophobicContact CB-CB 4.21Å; E408-P443 HydrophobicContact CB-CG 4.29Å; E408-P443 HydrophobicContact CG-CB 4.28Å; H410-P443 VanDerWaalsContact CD2-N 3.28Å; P443-L445 HydrophobicContact CB-CD2 3.96Å; P443-G460 WeakPolarHBondContact O-CA 3.31Å; P443-I461 HydrophobicContact CB-CG2 4.44Å; P443-I461 PolarHBondContact O-N 2.85Å
444	V	98.4	Very high	94.9	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	118.6	171.1	-166.9	0	0	0	0	107.6	R392 V406 S407 L412 H440 G442	R392-V444 WeakPolarHBondContact CB-O 3.44Å; V406-V444 HydrophobicContact CB-CB 3.93Å; V406-V444 HydrophobicContact CB-CG1 3.67Å; V406-V444 HydrophobicContact CG1-CG1 4.12Å; V406-V444 HydrophobicContact CG2-CB 4.18Å; V406-V444 HydrophobicContact CG2-CG1 3.9Å; S407-V444 PolarHBondContact O-N 2.86Å; L412-V444 HydrophobicContact CD1-CG1 4.38Å; L412-V444 HydrophobicContact CD1-CG2 4.22Å; L412-V444 HydrophobicContact CG-CG1 4.46Å; H440-V444 HydrophobicContact CB-CG2 3.87Å; G442-V444 PolarHBondContact O-N 2.87Å
445	L	98.1	Very high	95.1	Very high	19 Å²	19	41 Å²	41	10%	0.099	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	-27.5	-166.4	-56.7	177.6	0	0	0	112.5	P443 G459 I461 W498	P443-L445 HydrophobicContact CB-CD2 3.96Å; L445-G459 PolarHBondContact N-O 3.3Å; L445-I461 HydrophobicContact CD1-CB 4.27Å; L445-I461 HydrophobicContact CD1-CD1 4.14Å; L445-W498 HydrophobicContact CB-CB 4.2Å; L445-W498 HydrophobicContact CD1-CB 4.24Å
446	S	97.8	Very high	95.3	Very high	3 Å²	3	39 Å²	39	2%	0.021	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	156.7	-171.7	59.6	0	0	0	0	113.2	S458 G459 V497 W498 L500	S446-S458 VanDerWaalsContact O-CA 3.27Å; S446-S458 WeakPolarHBondContact O-CA 3.44Å; S446-S458 WeakPolarHBondContact O-CB 3.46Å; S446-G459 PolarHBondContact N-O 2.96Å; S446-G459 PolarHBondContact O-N 2.85Å; S446-G459 VanDerWaalsContact O-N 3.14Å; S446-G459 VanDerWaalsContact OG-CA 3.25Å; S446-G459 WeakPolarHBondContact OG-CA 3.43Å; S446-G459 PolarHBondContact OG-N 2.8Å; S446-V497 PolarHBondContact OG-O 3Å; S446-W498 WeakPolarHBondContact CB-O 3.44Å; S446-L500 WeakPolarHBondContact OG-CG 3.18Å
447	L	98.3	Very high	95.5	Very high	15 Å²	15	37.7 Å²	37.7	8%	0.079	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	136.9	-177.7	179.4	63.7	0	0	0	110.4	A393 A395 V404 V406 L412 C456 F457	A393-L447 HydrophobicContact CB-CB 3.84Å; A395-L447 HydrophobicContact CB-CD2 3.63Å; A395-L447 HydrophobicContact CB-CG 3.84Å; V404-L447 HydrophobicContact CB-CD2 3.92Å; V404-L447 HydrophobicContact CG1-CD1 4.03Å; V404-L447 HydrophobicContact CG1-CD2 3.75Å; V404-L447 VanDerWaalsContact O-CD2 3.3Å; V404-L447 WeakPolarHBondContact O-CD2 3.46Å; V406-L447 HydrophobicContact CG1-CB 3.74Å; V406-L447 HydrophobicContact CG1-CD1 3.94Å; V406-L447 HydrophobicContact CG1-CD2 3.8Å; V406-L447 HydrophobicContact CG1-CG 4.03Å; V406-L447 HydrophobicContact CG2-CB 4.47Å; L412-L447 HydrophobicContact CD2-CD1 4.26Å; L447-C456 HydrophobicContact CD1-CB 4.16Å; L447-F457 CarbonylContact C-O 3.55Å; L447-F457 WeakPolarHBondContact CA-O 3.43Å
448	A	97.3	Very high	95.7	Very high	9 Å²	9	37.7 Å²	37.7	7%	0.074	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	152.8	165.5	0	0	0	0	0	110.1	C456 F457 L500 L509	A448-C456 CarbonylContact O-C 3.54Å; A448-C456 WeakPolarHBondContact O-CA 3.25Å; A448-C456 WeakPolarHBondContact O-CB 3.49Å; A448-F457 PolarHBondContact N-O 3.37Å; A448-F457 PolarHBondContact O-N 2.99Å; A448-L500 HydrophobicContact CB-CB 3.84Å; A448-L509 HydrophobicContact CB-CD1 4.01Å
449	M	95.8	Very high	95.9	Very high	23 Å²	23	30 Å²	30	11%	0.113	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	144.6	177.7	-164.1	173.5	-66.1	0	0	111.7	A395 H397 V404 Q455 C456 I470 Y502	A395-M449 HydrophobicContact CB-CB 4.04Å; A395-M449 HydrophobicContact CB-CE 4.29Å; H397-M449 VanDerWaalsContact CA-SD 3.58Å; H397-M449 HydrophobicContact CB-SD 4.12Å; V404-M449 HydrophobicContact CB-CE 4Å; V404-M449 HydrophobicContact CG2-CE 3.52Å; M449-Q455 WeakPolarHBondContact CG-O 3.42Å; M449-C456 HydrophobicContact CB-CB 4.4Å; M449-C456 HydrophobicContact CE-CB 4.35Å; M449-C456 HydrophobicContact CG-CB 4.2Å; M449-I470 HydrophobicContact CE-CD1 4.33Å; M449-Y502 WeakPolarHBondContact O-CD1 3.3Å
450	T	95.3	Very high	96.2	Very high	7 Å²	7	28.1 Å²	28.1	4%	0.043	16%	0.157	C	C	.	.			trans	-62.9	150.7	171.9	53.7	0	0	0	0	111.9	S452 G453 Q455 F457 Y502	T450-S452 PolarHBondContact O-N 2.82Å; T450-G453 PolarHBondContact O-N 3.4Å; T450-G453 PolarHBondContact OG1-N 3.29Å; T450-Q455 WeakPolarHBondContact CB-O 3.5Å; T450-Q455 HydrophobicContact CG2-CB 3.83Å; T450-Q455 WeakPolarHBondContact CG2-O 3.44Å; T450-Q455 PolarHBondContact N-O 3.38Å; T450-Q455 PolarHBondContact OG1-N 3.15Å; T450-Q455 VanDerWaalsContact OG1-N 3.08Å; T450-Q455 PolarHBondContact OG1-O 3.33Å; T450-F457 HydrophobicContact CG2-CE2 3.77Å; T450-F457 HydrophobicContact CG2-CZ 4.45Å; T450-Y502 HydrophobicContact CG2-CE1 4.46Å; T450-Y502 HydrophobicContact CG2-CE2 4.02Å
451	S	91.4	Very high	96.2	Very high	75 Å²	75	31.2 Å²	31.2	52%	0.524	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-13.9	179	-50.5	0	0	0	0	114.3	P398 G504	P398-S451 WeakPolarHBondContact CG-O 3.37Å; S451-G504 VanDerWaalsContact OG-CA 3.26Å; S451-G504 WeakPolarHBondContact OG-CA 3.28Å
452	S	91.7	Very high	96.3	Very high	56 Å²	56	25.6 Å²	25.6	39%	0.392	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-28.7	165.6	58.7	0	0	0	0	112.3	T450 E454	T450-S452 PolarHBondContact O-N 2.82Å; S452-E454 VanDerWaalsContact C-N 3.3Å; S452-E454 WeakPolarHBondContact CB-OE2 3.41Å; S452-E454 PolarHBondContact OG-N 2.96Å; S452-E454 PolarHBondContact OG-OE2 3.16Å
453	G	92.7	Very high	96.3	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.154	C	C	.	.	S	Bend	trans	86.5	-4.1	-173.3	0	0	0	0	0	114	H397 T450 Q455 I470	H397-G453 PolarHBondContact CD2-O 2.6Å; H397-G453 PolarHBondContact NE2-O 3.4Å; T450-G453 PolarHBondContact O-N 3.4Å; T450-G453 PolarHBondContact OG1-N 3.29Å; G453-Q455 PolarHBondContact O-N 2.68Å; G453-I470 WeakPolarHBondContact O-CB 3.4Å; G453-I470 VanDerWaalsContact O-CG1 3.25Å; G453-I470 WeakPolarHBondContact O-CG1 3.28Å
454	E	93.1	Very high	96.2	Very high	136 Å²	136	26 Å²	26	64%	0.636	15%	0.147	S	C	*	.	S	Bend	trans	-69	-22.7	-178.7	-63.4	162.6	132.2	0	0	112.7	S452 I470	S452-E454 VanDerWaalsContact C-N 3.3Å; S452-E454 WeakPolarHBondContact CB-OE2 3.41Å; S452-E454 PolarHBondContact OG-N 2.96Å; S452-E454 PolarHBondContact OG-OE2 3.16Å; E454-I470 PolarHBondContact O-N 3.16Å
455	Q	95.1	Very high	96.2	Very high	41 Å²	41	26 Å²	26	19%	0.192	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	152.5	-178.6	-54.5	-174	-48	0	0	113.5	M449 T450 G453 W467 W468 N469	M449-Q455 WeakPolarHBondContact CG-O 3.42Å; T450-Q455 WeakPolarHBondContact CB-O 3.5Å; T450-Q455 HydrophobicContact CG2-CB 3.83Å; T450-Q455 WeakPolarHBondContact CG2-O 3.44Å; T450-Q455 PolarHBondContact N-O 3.38Å; T450-Q455 PolarHBondContact OG1-N 3.15Å; T450-Q455 VanDerWaalsContact OG1-N 3.08Å; T450-Q455 PolarHBondContact OG1-O 3.33Å; G453-Q455 PolarHBondContact O-N 2.68Å; Q455-W467 VanDerWaalsContact OE1-CZ3 3.27Å; Q455-W468 CarbonylContact C-O 3.58Å; Q455-W468 WeakPolarHBondContact CA-O 2.94Å; Q455-W468 WeakPolarHBondContact CB-O 3.38Å; Q455-N469 PolarHBondContact NE2-OD1 2.78Å
456	C	96.8	Very high	96.1	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	162.5	167.9	72.4	0	0	0	0	112.7	L447 A448 M449 W467 W468 I470	L447-C456 HydrophobicContact CD1-CB 4.16Å; A448-C456 CarbonylContact O-C 3.54Å; A448-C456 WeakPolarHBondContact O-CA 3.25Å; A448-C456 WeakPolarHBondContact O-CB 3.49Å; M449-C456 HydrophobicContact CB-CB 4.4Å; M449-C456 HydrophobicContact CE-CB 4.35Å; M449-C456 HydrophobicContact CG-CB 4.2Å; C456-W467 WeakPolarHBondContact O-CA 3.14Å; C456-W468 PolarHBondContact N-O 3.4Å; C456-W468 PolarHBondContact O-N 3.16Å; C456-I470 HydrophobicContact CB-CD1 4.03Å
457	F	97.8	Very high	96	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	137.3	-179.7	-59.2	-86.5	0	0	0	109.2	L447 A448 T450 I465 Q466 W467 L500 Y502 L509 P523	L447-F457 CarbonylContact C-O 3.55Å; L447-F457 WeakPolarHBondContact CA-O 3.43Å; A448-F457 PolarHBondContact N-O 3.37Å; A448-F457 PolarHBondContact O-N 2.99Å; T450-F457 HydrophobicContact CG2-CE2 3.77Å; T450-F457 HydrophobicContact CG2-CZ 4.45Å; F457-I465 HydrophobicContact CB-CG2 4.21Å; F457-Q466 WeakPolarHBondContact CA-O 3.41Å; F457-W467 HydrophobicContact CD1-CB 3.39Å; F457-W467 HydrophobicContact CD1-CG 4.45Å; F457-W467 HydrophobicContact CE1-CB 3.38Å; F457-W467 HydrophobicContact CE1-CD2 4.25Å; F457-W467 HydrophobicContact CE1-CE3 4.01Å; F457-W467 HydrophobicContact CE1-CG 4.05Å; F457-W467 HydrophobicContact CG-CB 4.38Å; F457-W467 HydrophobicContact CZ-CB 4.37Å; F457-W467 HydrophobicContact CZ-CE3 4.21Å; F457-L500 HydrophobicContact CB-CD1 4.16Å; F457-L500 WeakPolarHBondContact O-CD1 3.32Å; F457-Y502 HydrophobicContact CD2-CD2 4.43Å; F457-Y502 AromaticContact CE2-CD2 3.99Å; F457-Y502 HydrophobicContact CE2-CD2 3.99Å; F457-Y502 HydrophobicContact CE2-CE2 4.23Å; F457-L509 HydrophobicContact CB-CD1 3.94Å; F457-L509 HydrophobicContact CB-CD2 3.95Å; F457-L509 HydrophobicContact CD1-CD2 3.74Å; F457-L509 HydrophobicContact CD2-CD1 3.84Å; F457-L509 HydrophobicContact CD2-CD2 4.45Å; F457-L509 HydrophobicContact CE1-CD2 4.44Å; F457-L509 HydrophobicContact CG-CD1 3.86Å; F457-L509 HydrophobicContact CG-CD2 3.78Å; F457-L509 HydrophobicContact CG-CG 4.44Å; F457-P523 HydrophobicContact CE1-CB 3.7Å; F457-P523 HydrophobicContact CE1-CG 4.05Å; F457-P523 HydrophobicContact CZ-CB 3.83Å; F457-P523 HydrophobicContact CZ-CG 3.68Å
458	S	98.3	Very high	95.9	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	135.4	177.2	58.6	0	0	0	0	112.5	H440 S446 I465 Q466 W468	H440-S458 PolarHBondContact CE1-O 3.2Å; H440-S458 VanDerWaalsContact CE1-O 3.31Å; H440-S458 PolarHBondContact NE2-O 3.28Å; H440-S458 VanDerWaalsContact NE2-O 3.16Å; H440-S458 PolarHBondContact NE2-OG 3.44Å; S446-S458 VanDerWaalsContact O-CA 3.27Å; S446-S458 WeakPolarHBondContact O-CA 3.44Å; S446-S458 WeakPolarHBondContact O-CB 3.46Å; S458-I465 CarbonylContact O-C 3.6Å; S458-I465 VanDerWaalsContact O-CA 3.26Å; S458-I465 WeakPolarHBondContact O-CA 3.19Å; S458-Q466 PolarHBondContact N-O 2.86Å; S458-Q466 PolarHBondContact O-N 2.95Å; S458-W468 PolarHBondContact OG-NE1 3.22Å
459	G	98.1	Very high	95.8	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	131.9	177.1	0	0	0	0	0	110.7	L445 S446 V497	L445-G459 PolarHBondContact N-O 3.3Å; S446-G459 PolarHBondContact N-O 2.96Å; S446-G459 PolarHBondContact O-N 2.85Å; S446-G459 VanDerWaalsContact O-N 3.14Å; S446-G459 VanDerWaalsContact OG-CA 3.25Å; S446-G459 WeakPolarHBondContact OG-CA 3.43Å; S446-G459 PolarHBondContact OG-N 2.8Å; G459-V497 CarbonylContact C-O 3.33Å
460	G	97.6	Very high	95.7	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	169.9	178.2	0	0	0	0	0	112.9	H440 P443 D462 T464 G496 V497	H440-G460 PolarHBondContact CE1-N 3.17Å; H440-G460 VanDerWaalsContact CE1-N 3.3Å; P443-G460 WeakPolarHBondContact O-CA 3.31Å; G460-D462 PolarHBondContact O-N 3.01Å; G460-T464 PolarHBondContact N-O 2.95Å; G460-T464 VanDerWaalsContact N-O 3.17Å; G460-G496 WeakPolarHBondContact O-CA 3.33Å; G460-V497 PolarHBondContact O-N 2.87Å
461	I	97.7	Very high	95.5	Very high	79 Å²	79	30.7 Å²	30.7	41%	0.405	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-20.6	162.6	-164.5	64.6	0	0	0	111.7	P443 L445 S463	P443-I461 HydrophobicContact CB-CG2 4.44Å; P443-I461 PolarHBondContact O-N 2.85Å; L445-I461 HydrophobicContact CD1-CB 4.27Å; L445-I461 HydrophobicContact CD1-CD1 4.14Å; I461-S463 PolarHBondContact O-N 3.49Å
462	D	96.5	Very high	95.3	Very high	31 Å²	31	30.4 Å²	30.4	17%	0.166	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	11.5	-179.7	61.4	21.6	0	0	0	115	H440 I441 G460 T464	H440-D462 VanDerWaalsContact CA-OD2 3.29Å; H440-D462 WeakPolarHBondContact CA-OD2 3.36Å; H440-D462 WeakPolarHBondContact CB-OD2 3.46Å; H440-D462 IonicContact CE1-OD1 3.49Å; H440-D462 IonicContact CG-OD2 3.62Å; H440-D462 IonicContact ND1-OD1 3.28Å; H440-D462 PolarHBondContact ND1-OD1 2.88Å; H440-D462 IonicContact ND1-OD2 2.77Å; H440-D462 PolarHBondContact ND1-OD2 2.86Å; I441-D462 HydrophobicContact CB-CB 4.24Å; I441-D462 PolarHBondContact N-OD2 2.6Å; G460-D462 PolarHBondContact O-N 3.01Å; D462-T464 VanDerWaalsContact CG-OG1 3.26Å; D462-T464 WeakPolarHBondContact O-CG2 3.4Å; D462-T464 PolarHBondContact O-N 3.5Å; D462-T464 VanDerWaalsContact O-N 3.11Å; D462-T464 WeakPolarHBondContact OD1-CB 3.46Å; D462-T464 PolarHBondContact OD1-N 3.44Å; D462-T464 PolarHBondContact OD1-OG1 2.8Å; D462-T464 PolarHBondContact OD2-OG1 3.43Å
463	S	96.4	Very high	94.9	Very high	34 Å²	34	28.3 Å²	28.3	24%	0.238	15%	0.15	C	C	.	.	S	Bend	trans	59.3	5.6	-173.2	72.7	0	0	0	0	116	I461 D495	I461-S463 PolarHBondContact O-N 3.49Å; S463-D495 WeakPolarHBondContact CA-O 3.4Å; S463-D495 WeakPolarHBondContact CB-O 3.49Å
464	T	96.6	Very high	94.5	Very high	18 Å²	18	34 Å²	34	11%	0.11	18%	0.181	C	C	.	.			trans	-96.3	151.3	-179.9	76.7	0	0	0	0	112.2	H440 G460 D462 Q466 L491	H440-T464 PolarHBondContact ND1-OG1 2.86Å; G460-T464 PolarHBondContact N-O 2.95Å; G460-T464 VanDerWaalsContact N-O 3.17Å; D462-T464 VanDerWaalsContact CG-OG1 3.26Å; D462-T464 WeakPolarHBondContact O-CG2 3.4Å; D462-T464 PolarHBondContact O-N 3.5Å; D462-T464 VanDerWaalsContact O-N 3.11Å; D462-T464 WeakPolarHBondContact OD1-CB 3.46Å; D462-T464 PolarHBondContact OD1-N 3.44Å; D462-T464 PolarHBondContact OD1-OG1 2.8Å; D462-T464 PolarHBondContact OD2-OG1 3.43Å; T464-Q466 PolarHBondContact OG1-NE2 3.16Å; T464-L491 HydrophobicContact CG2-CD2 3.66Å
465	I	97.7	Very high	94	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.005	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	108.1	162.3	-56.8	167.7	0	0	0	107.2	F457 S458 S489 L490 V497 L500 L509 W521	F457-I465 HydrophobicContact CB-CG2 4.21Å; S458-I465 CarbonylContact O-C 3.6Å; S458-I465 VanDerWaalsContact O-CA 3.26Å; S458-I465 WeakPolarHBondContact O-CA 3.19Å; I465-S489 CarbonylContact O-C 3.41Å; I465-S489 WeakPolarHBondContact O-CA 3.42Å; I465-L490 HydrophobicContact CB-CB 4.19Å; I465-L490 HydrophobicContact CB-CD1 4.48Å; I465-L490 HydrophobicContact CB-CG 4.48Å; I465-L490 HydrophobicContact CG2-CD1 4.29Å; I465-L490 PolarHBondContact N-O 3.1Å; I465-L490 VanDerWaalsContact N-O 3.15Å; I465-L490 PolarHBondContact O-N 2.87Å; I465-V497 HydrophobicContact CD1-CG1 4.25Å; I465-V497 HydrophobicContact CG1-CB 4.47Å; I465-V497 HydrophobicContact CG1-CG1 4.02Å; I465-V497 HydrophobicContact CG1-CG2 4.26Å; I465-L500 HydrophobicContact CD1-CD2 3.98Å; I465-L500 HydrophobicContact CG1-CD2 4.33Å; I465-L500 HydrophobicContact CG2-CD1 4.34Å; I465-L500 HydrophobicContact CG2-CD2 4.38Å; I465-L509 HydrophobicContact CD1-CD2 4.47Å; I465-L509 HydrophobicContact CG2-CD2 3.97Å; I465-W521 HydrophobicContact CD1-CZ2 3.86Å
466	Q	96.4	Very high	93.3	Very high	19 Å²	19	31.2 Å²	31.2	9%	0.089	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	145.3	173.2	-55.8	-61.9	-34.7	0	0	109.1	H440 F457 S458 T464 W468 L486 G488 S489	H440-Q466 VanDerWaalsContact CE1-CG 3.49Å; H440-Q466 WeakPolarHBondContact CE1-CG 3.35Å; F457-Q466 WeakPolarHBondContact CA-O 3.41Å; S458-Q466 PolarHBondContact N-O 2.86Å; S458-Q466 PolarHBondContact O-N 2.95Å; T464-Q466 PolarHBondContact OG1-NE2 3.16Å; Q466-W468 HydrophobicContact CB-CZ2 3.7Å; Q466-W468 HydrophobicContact CG-CZ2 4.18Å; Q466-L486 HydrophobicContact CB-CD1 4.26Å; Q466-G488 PolarHBondContact OE1-O 3.22Å; Q466-S489 PolarHBondContact NE2-OG 2.97Å
467	W	95.1	Very high	92.4	Very high	50 Å²	50	34.8 Å²	34.8	19%	0.189	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	137	171.7	74.7	-54.3	0	0	0	111.1	Q455 C456 F457 A487 G488 P523	Q455-W467 VanDerWaalsContact OE1-CZ3 3.27Å; C456-W467 WeakPolarHBondContact O-CA 3.14Å; F457-W467 HydrophobicContact CD1-CB 3.39Å; F457-W467 HydrophobicContact CD1-CG 4.45Å; F457-W467 HydrophobicContact CE1-CB 3.38Å; F457-W467 HydrophobicContact CE1-CD2 4.25Å; F457-W467 HydrophobicContact CE1-CE3 4.01Å; F457-W467 HydrophobicContact CE1-CG 4.05Å; F457-W467 HydrophobicContact CG-CB 4.38Å; F457-W467 HydrophobicContact CZ-CB 4.37Å; F457-W467 HydrophobicContact CZ-CE3 4.21Å; W467-A487 HydrophobicContact CD2-CB 3.66Å; W467-A487 HydrophobicContact CE3-CB 4.19Å; W467-A487 HydrophobicContact CG-CB 4.01Å; W467-A487 HydrophobicContact CH2-CB 4.4Å; W467-A487 HydrophobicContact CZ2-CB 3.88Å; W467-A487 VanDerWaalsContact NE1-C 3.29Å; W467-A487 PolarHBondContact NE1-O 2.77Å; W467-A487 WeakPolarHBondContact O-CB 3.3Å; W467-A487 PolarHBondContact O-N 3.26Å; W467-G488 VanDerWaalsContact CD1-O 3.26Å; W467-G488 PolarHBondContact N-O 3.03Å; W467-G488 PolarHBondContact O-N 3Å; W467-P523 HydrophobicContact CE3-CB 4.16Å; W467-P523 HydrophobicContact CZ3-CB 4.25Å
468	W	96.2	Very high	91.5	Very high	4 Å²	4	44.9 Å²	44.9	2%	0.015	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	137.6	-166.2	-46.9	87.6	0	0	0	110.2	L412 F437 Q455 C456 S458 Q466 V485 L486	L412-W468 HydrophobicContact CD1-CZ2 3.95Å; F437-W468 HydrophobicContact CB-CD2 4.32Å; F437-W468 HydrophobicContact CB-CE3 4.03Å; F437-W468 HydrophobicContact CB-CH2 4.17Å; F437-W468 HydrophobicContact CB-CZ2 4.45Å; F437-W468 HydrophobicContact CB-CZ3 3.94Å; F437-W468 HydrophobicContact CD1-CB 4.17Å; F437-W468 AromaticContact CD1-CD2 3.97Å; F437-W468 HydrophobicContact CD1-CD2 3.97Å; F437-W468 AromaticContact CD1-CE3 3.73Å; F437-W468 HydrophobicContact CD1-CE3 3.73Å; F437-W468 HydrophobicContact CD1-CG 4.18Å; F437-W468 HydrophobicContact CD1-CZ3 4.42Å; F437-W468 HydrophobicContact CE1-CB 4.12Å; F437-W468 HydrophobicContact CG-CD2 4.48Å; F437-W468 HydrophobicContact CG-CE3 4.33Å; Q455-W468 CarbonylContact C-O 3.58Å; Q455-W468 WeakPolarHBondContact CA-O 2.94Å; Q455-W468 WeakPolarHBondContact CB-O 3.38Å; C456-W468 PolarHBondContact N-O 3.4Å; C456-W468 PolarHBondContact O-N 3.16Å; S458-W468 PolarHBondContact OG-NE1 3.22Å; Q466-W468 HydrophobicContact CB-CZ2 3.7Å; Q466-W468 HydrophobicContact CG-CZ2 4.18Å; W468-V485 CarbonylContact C-O 3.49Å; W468-V485 WeakPolarHBondContact CA-O 3.43Å; W468-V485 WeakPolarHBondContact CB-O 3.19Å; W468-V485 HydrophobicContact CE3-CG1 4.42Å; W468-L486 HydrophobicContact CD2-CD1 4.16Å; W468-L486 HydrophobicContact CE3-CB 3.96Å; W468-L486 HydrophobicContact CE3-CD1 3.81Å; W468-L486 HydrophobicContact CE3-CG 4.44Å; W468-L486 HydrophobicContact CH2-CD1 3.98Å; W468-L486 HydrophobicContact CZ2-CD1 4.31Å; W468-L486 HydrophobicContact CZ3-CB 3.84Å; W468-L486 HydrophobicContact CZ3-CD1 3.73Å; W468-L486 HydrophobicContact CZ3-CD2 4.38Å; W468-L486 HydrophobicContact CZ3-CG 4.18Å
469	N	95.4	Very high	90.7	Very high	54 Å²	54	49.6 Å²	49.6	29%	0.289	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	128.3	164.7	-64.1	-48	0	0	0	108.1	Q455 P471 S484 V485	Q455-N469 PolarHBondContact NE2-OD1 2.78Å; N469-P471 WeakPolarHBondContact O-CD 3.42Å; N469-S484 PolarHBondContact ND2-O 2.88Å; N469-V485 PolarHBondContact N-O 2.94Å
470	I	94.3	Very high	90	Very high	29 Å²	29	55.9 Å²	55.9	15%	0.149	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-73.6	118.9	180	-65.4	-59.8	0	0	0	109	V404 L414 F437 M449 G453 E454 C456	V404-I470 HydrophobicContact CG2-CD1 4.1Å; L414-I470 HydrophobicContact CD2-CG2 4.26Å; F437-I470 HydrophobicContact CZ-CD1 4.08Å; M449-I470 HydrophobicContact CE-CD1 4.33Å; G453-I470 WeakPolarHBondContact O-CB 3.4Å; G453-I470 VanDerWaalsContact O-CG1 3.25Å; G453-I470 WeakPolarHBondContact O-CG1 3.28Å; E454-I470 PolarHBondContact O-N 3.16Å; C456-I470 HydrophobicContact CB-CD1 4.03Å
471	P	91.8	Very high	89.3	Confident	18 Å²	18	63.5 Å²	63.5	12%	0.117	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-67.6	153.4	175.7	27.9	-33.1	0	0	0	110.6	L414 Y435 F437 N469 S473 V475	L414-P471 HydrophobicContact CD2-CG 3.89Å; Y435-P471 HydrophobicContact CD1-CG 4.16Å; Y435-P471 HydrophobicContact CD2-CG 4.13Å; Y435-P471 HydrophobicContact CG-CG 3.82Å; F437-P471 HydrophobicContact CE1-CG 4.5Å; F437-P471 HydrophobicContact CZ-CG 4.39Å; N469-P471 WeakPolarHBondContact O-CD 3.42Å; P471-S473 PolarHBondContact O-N 2.91Å; P471-V475 HydrophobicContact CB-CG2 4.06Å
472	S	86.8	Confident	88.6	Confident	69 Å²	69	63.1 Å²	63.1	48%	0.483	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-55.9	141	178.1	-177.9	0	0	0	0	111.2	N474 V475	S472-N474 PolarHBondContact O-N 2.85Å; S472-N474 PolarHBondContact OG-N 2.85Å; S472-V475 WeakPolarHBondContact O-CG2 3.47Å; S472-V475 PolarHBondContact O-N 3.45Å
473	S	83.4	Confident	88.1	Confident	11 Å²	11	66 Å²	66	8%	0.077	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	2.7	174.5	60.7	0	0	0	0	114.9	E400 N416 K419 P471	E400-S473 WeakPolarHBondContact OE2-CB 3.49Å; E400-S473 PolarHBondContact OE2-OG 3.42Å; N416-S473 PolarHBondContact ND2-O 2.98Å; K419-S473 PolarHBondContact NZ-O 3.25Å; P471-S473 PolarHBondContact O-N 2.91Å
474	N	82.9	Confident	87.7	Confident	119 Å²	119	67.3 Å²	67.3	64%	0.636	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.2	7.8	173.4	-68.4	-50.6	0	0	0	116	K419 S472	K419-N474 WeakPolarHBondContact CE-OD1 3.1Å; K419-N474 PolarHBondContact NZ-OD1 3.45Å; S472-N474 PolarHBondContact O-N 2.85Å; S472-N474 PolarHBondContact OG-N 2.85Å
475	V	83.7	Confident	87.5	Confident	37 Å²	37	66.7 Å²	66.7	22%	0.224	36%	0.355	C	S	.	.			trans	-58.7	144.8	165.9	166	0	0	0	0	110.7	P471 S472 D479	P471-V475 HydrophobicContact CB-CG2 4.06Å; S472-V475 WeakPolarHBondContact O-CG2 3.47Å; S472-V475 PolarHBondContact O-N 3.45Å; V475-D479 HydrophobicContact CG1-CB 4.25Å
476	D	79.1	Confident	87.3	Confident	83 Å²	83	69.1 Å²	69.1	44%	0.444	37%	0.367	S	S	.	.			trans	-81.1	131.9	171.6	-166.3	-54.5	0	0	0	109.3	Y478 D479	D476-Y478 PolarHBondContact O-N 3.34Å; D476-Y478 WeakPolarHBondContact OD1-CB 3.49Å; D476-Y478 WeakPolarHBondContact OD1-CD2 3.16Å; D476-Y478 PolarHBondContact OD1-N 2.76Å; D476-D479 HydrophobicContact CB-CB 4.43Å; D476-D479 WeakPolarHBondContact CB-OD2 3.25Å; D476-D479 PolarHBondContact N-OD2 3.25Å; D476-D479 WeakPolarHBondContact O-CB 3.13Å; D476-D479 PolarHBondContact O-N 3.07Å
477	P	78.3	Confident	87.1	Confident	74 Å²	74	70 Å²	70	48%	0.481	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-17.1	175.5	-25.9	35	0	0	0	115
478	Y	78.7	Confident	87	Confident	213 Å²	213	68.8 Å²	68.8	84%	0.835	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.1	8.8	177.7	-55	-79	0	0	0	114	D476	D476-Y478 PolarHBondContact O-N 3.34Å; D476-Y478 WeakPolarHBondContact OD1-CB 3.49Å; D476-Y478 WeakPolarHBondContact OD1-CD2 3.16Å; D476-Y478 PolarHBondContact OD1-N 2.76Å
479	D	81.8	Confident	86.9	Confident	98 Å²	98	71 Å²	71	52%	0.524	40%	0.397	S	S	.	.	S	Bend	trans	-59.3	154.1	172.2	-89.4	-41.3	0	0	0	112	V475 D476	V475-D479 HydrophobicContact CG1-CB 4.25Å; D476-D479 HydrophobicContact CB-CB 4.43Å; D476-D479 WeakPolarHBondContact CB-OD2 3.25Å; D476-D479 PolarHBondContact N-OD2 3.25Å; D476-D479 WeakPolarHBondContact O-CB 3.13Å; D476-D479 PolarHBondContact O-N 3.07Å
480	T	83.1	Confident	86.8	Confident	132 Å²	132	68.8 Å²	68.8	81%	0.81	39%	0.386	S	S	*	.	P	Polyproline II helix	trans	-63	138.9	176.2	51.8	0	0	0	0	111.6	D482	T480-D482 PolarHBondContact O-N 3.32Å; T480-D482 VanDerWaalsContact O-N 3.1Å
481	Y	83.1	Confident	86.8	Confident	161 Å²	161	73.1 Å²	73.1	63%	0.631	41%	0.408	S	S	*	.	P	Polyproline II helix	trans	-51.3	116.4	177.2	171.2	-101	0	0	0	112.4	C483	Y481-C483 HydrophobicContact CE1-CB 3.98Å
482	D	83.8	Confident	86.8	Confident	71 Å²	71	74.3 Å²	74.3	38%	0.38	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-92.3	116.2	171	-179.8	18.2	0	0	0	111.1	T480 S484 V485	T480-D482 PolarHBondContact O-N 3.32Å; T480-D482 VanDerWaalsContact O-N 3.1Å; D482-S484 PolarHBondContact O-N 2.85Å; D482-S484 WeakPolarHBondContact OD1-CB 3.34Å; D482-S484 PolarHBondContact OD1-N 3.25Å; D482-S484 PolarHBondContact OD1-OG 2.8Å; D482-S484 WeakPolarHBondContact OD2-CB 3.35Å; D482-S484 PolarHBondContact OD2-OG 3.03Å; D482-V485 HydrophobicContact CB-CG2 4.16Å; D482-V485 PolarHBondContact O-N 2.75Å
483	C	85.4	Confident	87.3	Confident	90 Å²	90	71.7 Å²	71.7	61%	0.608	40%	0.404	S	S	*	.	G	3₁₀ helix	trans	-65.1	-20.3	173.9	63.7	0	0	0	0	113.9	Y481 V485 L486	Y481-C483 HydrophobicContact CE1-CB 3.98Å; C483-V485 PolarHBondContact O-N 2.96Å; C483-L486 PolarHBondContact O-N 3.24Å
484	S	88.3	Confident	87.9	Confident	62 Å²	62	75.3 Å²	75.3	43%	0.434	44%	0.435	S	S	.	.	G	3₁₀ helix	trans	-70.2	-17.5	179.4	96.6	0	0	0	0	113.2	N469 D482 L486	N469-S484 PolarHBondContact ND2-O 2.88Å; D482-S484 PolarHBondContact O-N 2.85Å; D482-S484 WeakPolarHBondContact OD1-CB 3.34Å; D482-S484 PolarHBondContact OD1-N 3.25Å; D482-S484 PolarHBondContact OD1-OG 2.8Å; D482-S484 WeakPolarHBondContact OD2-CB 3.35Å; D482-S484 PolarHBondContact OD2-OG 3.03Å; S484-L486 VanDerWaalsContact C-N 3.31Å; S484-L486 PolarHBondContact O-N 2.8Å
485	V	93	Very high	88.5	Confident	6 Å²	6	73.2 Å²	73.2	4%	0.036	42%	0.423	C	S	.	.	G	3₁₀ helix	trans	-65.7	-32.3	177.6	173.9	0	0	0	0	112	Y435 F437 W468 N469 D482 C483	Y435-V485 HydrophobicContact CE1-CG1 3.69Å; F437-V485 HydrophobicContact CD1-CG1 3.53Å; F437-V485 HydrophobicContact CE1-CG1 3.6Å; W468-V485 CarbonylContact C-O 3.49Å; W468-V485 WeakPolarHBondContact CA-O 3.43Å; W468-V485 WeakPolarHBondContact CB-O 3.19Å; W468-V485 HydrophobicContact CE3-CG1 4.42Å; N469-V485 PolarHBondContact N-O 2.94Å; D482-V485 HydrophobicContact CB-CG2 4.16Å; D482-V485 PolarHBondContact O-N 2.75Å; C483-V485 PolarHBondContact O-N 2.96Å
486	L	94	Very high	89.2	Confident	51 Å²	51	71.5 Å²	71.5	27%	0.267	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	100.4	170.5	177.6	55.2	0	0	0	109.4	Q466 W468 C483 S484 G488	Q466-L486 HydrophobicContact CB-CD1 4.26Å; W468-L486 HydrophobicContact CD2-CD1 4.16Å; W468-L486 HydrophobicContact CE3-CB 3.96Å; W468-L486 HydrophobicContact CE3-CD1 3.81Å; W468-L486 HydrophobicContact CE3-CG 4.44Å; W468-L486 HydrophobicContact CH2-CD1 3.98Å; W468-L486 HydrophobicContact CZ2-CD1 4.31Å; W468-L486 HydrophobicContact CZ3-CB 3.84Å; W468-L486 HydrophobicContact CZ3-CD1 3.73Å; W468-L486 HydrophobicContact CZ3-CD2 4.38Å; W468-L486 HydrophobicContact CZ3-CG 4.18Å; C483-L486 PolarHBondContact O-N 3.24Å; S484-L486 VanDerWaalsContact C-N 3.31Å; S484-L486 PolarHBondContact O-N 2.8Å; L486-G488 VanDerWaalsContact C-N 3.3Å; L486-G488 WeakPolarHBondContact CD1-O 3.41Å; L486-G488 PolarHBondContact O-N 3.01Å
487	A	91.8	Very high	90.1	Very high	38 Å²	38	67.5 Å²	67.5	31%	0.314	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	-22.5	-178.6	0	0	0	0	0	112.7	W467	W467-A487 HydrophobicContact CD2-CB 3.66Å; W467-A487 HydrophobicContact CE3-CB 4.19Å; W467-A487 HydrophobicContact CG-CB 4.01Å; W467-A487 HydrophobicContact CH2-CB 4.4Å; W467-A487 HydrophobicContact CZ2-CB 3.88Å; W467-A487 VanDerWaalsContact NE1-C 3.29Å; W467-A487 PolarHBondContact NE1-O 2.77Å; W467-A487 WeakPolarHBondContact O-CB 3.3Å; W467-A487 PolarHBondContact O-N 3.26Å
488	G	91.9	Very high	91	Very high	25 Å²	25	68.4 Å²	68.4	26%	0.258	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	148.6	-155.6	172.1	0	0	0	0	0	113.2	Q466 W467 L486	Q466-G488 PolarHBondContact OE1-O 3.22Å; W467-G488 VanDerWaalsContact CD1-O 3.26Å; W467-G488 PolarHBondContact N-O 3.03Å; W467-G488 PolarHBondContact O-N 3Å; L486-G488 VanDerWaalsContact C-N 3.3Å; L486-G488 WeakPolarHBondContact CD1-O 3.41Å; L486-G488 PolarHBondContact O-N 3.01Å
489	S	93.8	Very high	91.9	Very high	49 Å²	49	58.8 Å²	58.8	34%	0.343	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	137.7	-177.1	-168.8	0	0	0	0	111.2	I465 Q466	I465-S489 CarbonylContact O-C 3.41Å; I465-S489 WeakPolarHBondContact O-CA 3.42Å; Q466-S489 PolarHBondContact NE2-OG 2.97Å
490	L	94.8	Very high	92.6	Very high	9 Å²	9	55.1 Å²	55.1	5%	0.047	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	124.5	167.9	-40.1	179	0	0	0	108	I465 L509 W521 P528	I465-L490 HydrophobicContact CB-CB 4.19Å; I465-L490 HydrophobicContact CB-CD1 4.48Å; I465-L490 HydrophobicContact CB-CG 4.48Å; I465-L490 HydrophobicContact CG2-CD1 4.29Å; I465-L490 PolarHBondContact N-O 3.1Å; I465-L490 VanDerWaalsContact N-O 3.15Å; I465-L490 PolarHBondContact O-N 2.87Å; L490-L509 HydrophobicContact CD1-CD2 4.14Å; L490-W521 HydrophobicContact CB-CE3 4.05Å; L490-W521 HydrophobicContact CB-CH2 4.41Å; L490-W521 HydrophobicContact CB-CZ3 3.95Å; L490-W521 HydrophobicContact CD1-CB 4.3Å; L490-W521 HydrophobicContact CD1-CD2 4.2Å; L490-W521 HydrophobicContact CD1-CE3 4.21Å; L490-W521 HydrophobicContact CD1-CG 4.27Å; L490-P528 HydrophobicContact CD2-CB 3.92Å; L490-P528 HydrophobicContact CD2-CG 4.07Å
491	L	94.1	Very high	93.3	Very high	120 Å²	120	49.4 Å²	49.4	63%	0.628	30%	0.297	S	S	*	.			trans	-116.1	138.8	-178.5	-57.6	177.8	0	0	0	109	T464	T464-L491 HydrophobicContact CG2-CD2 3.66Å
492	G	91.6	Very high	93.9	Very high	43 Å²	43	43.9 Å²	43.9	44%	0.443	28%	0.276	S	S	.	.			trans	155.8	-9.4	178.1	0	0	0	0	0	116.1	K519	G492-K519 WeakPolarHBondContact O-CE 3.31Å; G492-K519 PolarHBondContact O-NZ 2.9Å
493	H	96.6	Very high	94.3	Very high	14 Å²	14	41 Å²	41	7%	0.065	26%	0.261	C	S	.	.			trans	-81.8	158.1	158.6	-81.3	-62.8	0	0	0	110.6	V497 S511 S513 D515 T517 K519	H493-V497 HydrophobicContact CB-CG2 4.04Å; H493-S511 PolarHBondContact CD2-OG 3.42Å; H493-S511 PolarHBondContact NE2-OG 2.74Å; H493-S513 WeakPolarHBondContact CE1-CB 3.37Å; H493-S513 WeakPolarHBondContact ND1-CB 3.32Å; H493-D515 WeakPolarHBondContact CA-OD2 3.11Å; H493-D515 WeakPolarHBondContact CB-OD2 3.34Å; H493-D515 IonicContact CE1-OD1 3.22Å; H493-D515 IonicContact CE1-OD2 3.54Å; H493-D515 IonicContact CG-OD2 2.86Å; H493-D515 IonicContact ND1-OD1 3.8Å; H493-D515 PolarHBondContact ND1-OD1 3.22Å; H493-D515 IonicContact ND1-OD2 2.58Å; H493-D515 PolarHBondContact ND1-OD2 3.34Å; H493-T517 PolarHBondContact CE1-O 2.9Å; H493-T517 PolarHBondContact CE1-OG1 3.42Å; H493-T517 VanDerWaalsContact CE1-OG1 3.28Å; H493-T517 PolarHBondContact ND1-OG1 2.9Å; H493-K519 VanDerWaalsContact ND1-CE 3.34Å; H493-K519 WeakPolarHBondContact ND1-CE 3.46Å
494	A	96.2	Very high	94.3	Very high	87 Å²	87	38.7 Å²	38.7	72%	0.719	25%	0.252	S	S	*	.	S	Bend	trans	-105.2	-11.1	179.1	0	0	0	0	0	113.9	D515	A494-D515 HydrophobicContact CB-CB 3.97Å; A494-D515 PolarHBondContact N-OD2 3.47Å
495	D	96.7	Very high	94.2	Very high	75 Å²	75	41.6 Å²	41.6	40%	0.401	26%	0.262	S	S	.	.	S	Bend	trans	-150.2	176.3	-177.3	-156.2	-16.9	0	0	0	109.9	S463 S513 A514 D515	S463-D495 WeakPolarHBondContact CA-O 3.4Å; S463-D495 WeakPolarHBondContact CB-O 3.49Å; D495-S513 PolarHBondContact O-OG 3.28Å; D495-A514 HydrophobicContact CB-CB 3.89Å; D495-D515 HydrophobicContact CB-CB 4.05Å
496	G	97.1	Very high	93.9	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	27%	0.274	C	S	.	.			trans	-53.8	144.1	-169.8	0	0	0	0	0	115.8	G460 S513 A514	G460-G496 WeakPolarHBondContact O-CA 3.33Å; G496-S513 WeakPolarHBondContact O-CA 3.4Å; G496-S513 WeakPolarHBondContact O-CB 3.21Å; G496-S513 PolarHBondContact O-OG 2.8Å; G496-A514 PolarHBondContact O-N 3.4Å
497	V	98.2	Very high	93.7	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	96.1	-174.4	-176.3	0	0	0	0	110.7	S446 G459 G460 I465 H493 L500	S446-V497 PolarHBondContact OG-O 3Å; G459-V497 CarbonylContact C-O 3.33Å; G460-V497 PolarHBondContact O-N 2.87Å; I465-V497 HydrophobicContact CD1-CG1 4.25Å; I465-V497 HydrophobicContact CG1-CB 4.47Å; I465-V497 HydrophobicContact CG1-CG1 4.02Å; I465-V497 HydrophobicContact CG1-CG2 4.26Å; H493-V497 HydrophobicContact CB-CG2 4.04Å; V497-L500 HydrophobicContact CG1-CD2 4.11Å; V497-L500 HydrophobicContact CG1-CG 4.48Å
498	W	97.3	Very high	93.8	Very high	93 Å²	93	45.4 Å²	45.4	35%	0.352	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	-6.4	-171.9	50.8	48.8	0	0	0	115.8	L445 S446 C512 A514 I541 P542	L445-W498 HydrophobicContact CB-CB 4.2Å; L445-W498 HydrophobicContact CD1-CB 4.24Å; S446-W498 WeakPolarHBondContact CB-O 3.44Å; W498-C512 PolarHBondContact N-O 2.81Å; W498-A514 HydrophobicContact CE3-CB 4.21Å; W498-A514 VanDerWaalsContact CH2-CA 3.41Å; W498-A514 HydrophobicContact CH2-CB 3.46Å; W498-A514 VanDerWaalsContact CH2-CB 3.46Å; W498-A514 HydrophobicContact CZ2-CB 4.14Å; W498-A514 HydrophobicContact CZ3-CB 3.5Å; W498-A514 VanDerWaalsContact CZ3-CB 3.5Å; W498-I541 HydrophobicContact CH2-CG2 4.01Å; W498-I541 HydrophobicContact CZ2-CG2 3.64Å; W498-P542 PolarHBondContact NE1-O 2.88Å
499	G	96.6	Very high	94	Very high	11 Å²	11	44.2 Å²	44.2	11%	0.113	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	136.5	173.4	0	0	0	0	0	111.9	S511 C512	G499-S511 VanDerWaalsContact O-CA 3.29Å; G499-S511 WeakPolarHBondContact O-CA 3.24Å; G499-C512 VanDerWaalsContact CA-SG 3.51Å; G499-C512 PolarHBondContact O-N 3.25Å
500	L	97.9	Very high	94.2	Very high	21 Å²	21	41.9 Å²	41.9	11%	0.11	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	140.7	174.2	-70.8	177	0	0	0	109.8	S446 A448 F457 I465 V497 L509 L510	S446-L500 WeakPolarHBondContact OG-CG 3.18Å; A448-L500 HydrophobicContact CB-CB 3.84Å; F457-L500 HydrophobicContact CB-CD1 4.16Å; F457-L500 WeakPolarHBondContact O-CD1 3.32Å; I465-L500 HydrophobicContact CD1-CD2 3.98Å; I465-L500 HydrophobicContact CG1-CD2 4.33Å; I465-L500 HydrophobicContact CG2-CD1 4.34Å; I465-L500 HydrophobicContact CG2-CD2 4.38Å; V497-L500 HydrophobicContact CG1-CD2 4.11Å; V497-L500 HydrophobicContact CG1-CG 4.48Å; L500-L509 HydrophobicContact CD2-CD1 4.37Å; L500-L509 HydrophobicContact CD2-CD2 4.14Å; L500-L509 HydrophobicContact CD2-CG 4.29Å; L500-L510 VanDerWaalsContact CA-O 3.32Å; L500-L510 WeakPolarHBondContact CA-O 3.3Å; L500-L510 WeakPolarHBondContact CD2-O 3.39Å
501	A	96.8	Very high	94.4	Very high	11 Å²	11	41.4 Å²	41.4	9%	0.091	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	145.5	170.4	0	0	0	0	0	109.9	L509 L510 F547	A501-L509 CarbonylContact O-C 3.49Å; A501-L509 WeakPolarHBondContact O-CA 3.35Å; A501-L509 WeakPolarHBondContact O-CD1 3.11Å; A501-L510 HydrophobicContact CB-CB 4.43Å; A501-L510 PolarHBondContact N-O 2.8Å; A501-L510 VanDerWaalsContact N-O 3.09Å; A501-L510 PolarHBondContact O-N 3.48Å; A501-F547 HydrophobicContact CB-CD2 4.21Å; A501-F547 HydrophobicContact CB-CE2 4.47Å
502	Y	95.4	Very high	94.5	Very high	45 Å²	45	35.7 Å²	35.7	18%	0.176	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	131	-177.4	175.3	-87.2	0	0	0	111.8	M449 T450 F457 N507 L509	M449-Y502 WeakPolarHBondContact O-CD1 3.3Å; T450-Y502 HydrophobicContact CG2-CE1 4.46Å; T450-Y502 HydrophobicContact CG2-CE2 4.02Å; F457-Y502 HydrophobicContact CD2-CD2 4.43Å; F457-Y502 AromaticContact CE2-CD2 3.99Å; F457-Y502 HydrophobicContact CE2-CD2 3.99Å; F457-Y502 HydrophobicContact CE2-CE2 4.23Å; Y502-N507 PolarHBondContact OH-OD1 2.92Å; Y502-N507 VanDerWaalsContact OH-OD1 3.1Å; Y502-L509 HydrophobicContact CD2-CD1 4.47Å
503	S	93	Very high	94.8	Very high	12 Å²	12	33.7 Å²	33.7	8%	0.084	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	112.1	175.8	178.6	0	0	0	0	111.3	I505 N507 R508 F547	S503-I505 PolarHBondContact O-N 2.61Å; S503-I505 PolarHBondContact OG-N 3.49Å; S503-N507 VanDerWaalsContact O-CA 3.27Å; S503-N507 WeakPolarHBondContact O-CA 3.41Å; S503-N507 PolarHBondContact O-N 2.8Å; S503-R508 PolarHBondContact N-O 2.94Å; S503-R508 PolarHBondContact O-N 2.91Å; S503-F547 VanDerWaalsContact CB-CZ 3.47Å; S503-F547 VanDerWaalsContact N-CE2 3.27Å
504	G	86.2	Confident	94.8	Very high	40 Å²	40	34.1 Å²	34.1	41%	0.412	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-17.3	171.1	0	0	0	0	0	114.6	S451	S451-G504 VanDerWaalsContact OG-CA 3.26Å; S451-G504 WeakPolarHBondContact OG-CA 3.28Å
505	I	86.2	Confident	94.7	Very high	124 Å²	124	32 Å²	32	64%	0.636	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77	-44.7	-176.4	-59.3	173.3	0	0	0	111.1	S503 P552	S503-I505 PolarHBondContact O-N 2.61Å; S503-I505 PolarHBondContact OG-N 3.49Å; I505-P552 HydrophobicContact CD1-CB 4.49Å; I505-P552 HydrophobicContact CD1-CG 3.73Å; I505-P552 HydrophobicContact CG2-CB 4.04Å; I505-P552 HydrophobicContact CG2-CG 3.96Å
506	K	85.6	Confident	94.7	Very high	66 Å²	66	28.6 Å²	28.6	29%	0.287	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103	-2.7	179.2	-74	-176.2	168.2	174.9	0	113.7	R508 P552 E570	K506-R508 HydrophobicContact CB-CG 3.77Å; K506-R508 PolarHBondContact O-NH1 3.02Å; K506-P552 WeakPolarHBondContact CD-O 3.37Å; K506-P552 WeakPolarHBondContact CE-O 3Å; K506-P552 PolarHBondContact NZ-O 3.46Å; K506-E570 IonicContact NZ-OE1 2.69Å; K506-E570 PolarHBondContact NZ-OE1 2.94Å
507	N	90.8	Very high	94.6	Very high	58 Å²	58	29.4 Å²	29.4	31%	0.31	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.6	71.2	-165.2	-173.6	-2.9	0	0	0	110.5	Y502 S503	Y502-N507 PolarHBondContact OH-OD1 2.92Å; Y502-N507 VanDerWaalsContact OH-OD1 3.1Å; S503-N507 VanDerWaalsContact O-CA 3.27Å; S503-N507 WeakPolarHBondContact O-CA 3.41Å; S503-N507 PolarHBondContact O-N 2.8Å
508	R	93.4	Very high	94.6	Very high	50 Å²	50	29.4 Å²	29.4	19%	0.189	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	142.2	-176.5	-66.5	-63.5	-179.7	-107.3	24.6	110.6	S503 K506 L520 W521 N522 E525 F547	S503-R508 PolarHBondContact N-O 2.94Å; S503-R508 PolarHBondContact O-N 2.91Å; K506-R508 HydrophobicContact CB-CG 3.77Å; K506-R508 PolarHBondContact O-NH1 3.02Å; R508-L520 HydrophobicContact CB-CD1 3.84Å; R508-L520 HydrophobicContact CG-CD1 4.17Å; R508-W521 WeakPolarHBondContact CA-O 3.48Å; R508-W521 VanDerWaalsContact CD-O 3.26Å; R508-W521 WeakPolarHBondContact CD-O 3.45Å; R508-N522 PolarHBondContact NH1-ND2 3.05Å; R508-N522 PolarHBondContact NH2-ND2 3.43Å; R508-E525 IonicContact NH2-OE1 2.75Å; R508-E525 PolarHBondContact NH2-OE1 3.34Å; R508-F547 HydrophobicContact CB-CE1 4.39Å; R508-F547 HydrophobicContact CB-CZ 3.93Å
509	L	96.7	Very high	94.6	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	141.5	171.5	-173.9	75.6	0	0	0	109	A448 F457 I465 L490 L500 A501 Y502 W521	A448-L509 HydrophobicContact CB-CD1 4.01Å; F457-L509 HydrophobicContact CB-CD1 3.94Å; F457-L509 HydrophobicContact CB-CD2 3.95Å; F457-L509 HydrophobicContact CD1-CD2 3.74Å; F457-L509 HydrophobicContact CD2-CD1 3.84Å; F457-L509 HydrophobicContact CD2-CD2 4.45Å; F457-L509 HydrophobicContact CE1-CD2 4.44Å; F457-L509 HydrophobicContact CG-CD1 3.86Å; F457-L509 HydrophobicContact CG-CD2 3.78Å; F457-L509 HydrophobicContact CG-CG 4.44Å; I465-L509 HydrophobicContact CD1-CD2 4.47Å; I465-L509 HydrophobicContact CG2-CD2 3.97Å; L490-L509 HydrophobicContact CD1-CD2 4.14Å; L500-L509 HydrophobicContact CD2-CD1 4.37Å; L500-L509 HydrophobicContact CD2-CD2 4.14Å; L500-L509 HydrophobicContact CD2-CG 4.29Å; A501-L509 CarbonylContact O-C 3.49Å; A501-L509 WeakPolarHBondContact O-CA 3.35Å; A501-L509 WeakPolarHBondContact O-CD1 3.11Å; Y502-L509 HydrophobicContact CD2-CD1 4.47Å; L509-W521 HydrophobicContact CB-CB 4.27Å; L509-W521 PolarHBondContact N-O 2.97Å; L509-W521 PolarHBondContact O-N 2.96Å
510	L	97.5	Very high	94.6	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	146.8	165.2	-70.6	172.7	0	0	0	109.8	L500 A501 K519 L520 V545 F547 M555	L500-L510 VanDerWaalsContact CA-O 3.32Å; L500-L510 WeakPolarHBondContact CA-O 3.3Å; L500-L510 WeakPolarHBondContact CD2-O 3.39Å; A501-L510 HydrophobicContact CB-CB 4.43Å; A501-L510 PolarHBondContact N-O 2.8Å; A501-L510 VanDerWaalsContact N-O 3.09Å; A501-L510 PolarHBondContact O-N 3.48Å; L510-K519 WeakPolarHBondContact CA-O 3.36Å; L510-L520 HydrophobicContact CD2-CB 4.12Å; L510-L520 HydrophobicContact CD2-CD1 3.7Å; L510-L520 HydrophobicContact CG-CD1 4.44Å; L510-V545 HydrophobicContact CB-CG2 4.12Å; L510-F547 HydrophobicContact CB-CE2 4.27Å; L510-F547 HydrophobicContact CB-CZ 4.46Å; L510-F547 HydrophobicContact CD1-CD1 3.93Å; L510-F547 HydrophobicContact CD1-CD2 3.82Å; L510-F547 HydrophobicContact CD1-CE1 3.8Å; L510-F547 HydrophobicContact CD1-CE2 3.68Å; L510-F547 HydrophobicContact CD1-CG 3.96Å; L510-F547 HydrophobicContact CD1-CZ 3.69Å; L510-F547 HydrophobicContact CD2-CZ 4.39Å; L510-F547 HydrophobicContact CG-CD2 4.34Å; L510-F547 HydrophobicContact CG-CE1 3.97Å; L510-F547 HydrophobicContact CG-CE2 3.68Å; L510-F547 HydrophobicContact CG-CZ 3.49Å; L510-F547 VanDerWaalsContact CG-CZ 3.49Å; L510-M555 HydrophobicContact CD1-CB 3.66Å; L510-M555 HydrophobicContact CD1-CG 4.41Å; L510-M555 HydrophobicContact CD1-SD 3.91Å; L510-M555 HydrophobicContact CD2-SD 3.33Å; L510-M555 WeakPolarHBondContact CD2-SD 3.47Å; L510-M555 HydrophobicContact CG-SD 4.27Å
511	S	98.1	Very high	94.5	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	146.8	169.8	60.3	0	0	0	0	112.1	H493 G499 V518 K519 W521	H493-S511 PolarHBondContact CD2-OG 3.42Å; H493-S511 PolarHBondContact NE2-OG 2.74Å; G499-S511 VanDerWaalsContact O-CA 3.29Å; G499-S511 WeakPolarHBondContact O-CA 3.24Å; S511-V518 CarbonylContact O-C 3.55Å; S511-V518 VanDerWaalsContact O-CA 3.26Å; S511-V518 WeakPolarHBondContact O-CA 3.45Å; S511-V518 WeakPolarHBondContact O-CG1 3.46Å; S511-K519 PolarHBondContact N-O 2.88Å; S511-K519 PolarHBondContact O-N 3.31Å; S511-W521 PolarHBondContact OG-NE1 2.81Å
512	C	97.4	Very high	94.3	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	149.9	162.4	55	0	0	0	0	111	W498 G499 V518 P542 V545	W498-C512 PolarHBondContact N-O 2.81Å; G499-C512 VanDerWaalsContact CA-SG 3.51Å; G499-C512 PolarHBondContact O-N 3.25Å; C512-V518 HydrophobicContact CB-CG2 4.13Å; C512-P542 HydrophobicContact CB-CB 3.86Å; C512-P542 HydrophobicContact CB-CG 3.94Å; C512-V545 HydrophobicContact CB-CG1 3.78Å; C512-V545 HydrophobicContact CB-CG2 4.39Å
513	S	97.6	Very high	93.8	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	158.1	-173.8	170.1	0	0	0	0	112.1	H493 D495 G496 D515 G516 T517	H493-S513 WeakPolarHBondContact CE1-CB 3.37Å; H493-S513 WeakPolarHBondContact ND1-CB 3.32Å; D495-S513 PolarHBondContact O-OG 3.28Å; G496-S513 WeakPolarHBondContact O-CA 3.4Å; G496-S513 WeakPolarHBondContact O-CB 3.21Å; G496-S513 PolarHBondContact O-OG 2.8Å; S513-D515 WeakPolarHBondContact CB-OD1 3.44Å; S513-D515 PolarHBondContact O-N 3.39Å; S513-D515 VanDerWaalsContact OG-CG 3.3Å; S513-D515 PolarHBondContact OG-N 3.09Å; S513-G516 PolarHBondContact O-N 2.96Å; S513-T517 PolarHBondContact N-O 2.75Å
514	A	96.1	Very high	93.4	Very high	23 Å²	23	27.7 Å²	27.7	19%	0.19	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-20.3	166.9	0	0	0	0	0	113.7	D495 G496 W498 G516	D495-A514 HydrophobicContact CB-CB 3.89Å; G496-A514 PolarHBondContact O-N 3.4Å; W498-A514 HydrophobicContact CE3-CB 4.21Å; W498-A514 VanDerWaalsContact CH2-CA 3.41Å; W498-A514 HydrophobicContact CH2-CB 3.46Å; W498-A514 VanDerWaalsContact CH2-CB 3.46Å; W498-A514 HydrophobicContact CZ2-CB 4.14Å; W498-A514 HydrophobicContact CZ3-CB 3.5Å; W498-A514 VanDerWaalsContact CZ3-CB 3.5Å; A514-G516 PolarHBondContact O-N 3.14Å
515	D	95.1	Very high	93.4	Very high	43 Å²	43	30.5 Å²	30.5	23%	0.23	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	0.4	176.8	74.8	13.6	0	0	0	114.6	H493 A494 D495 S513 T517	H493-D515 WeakPolarHBondContact CA-OD2 3.11Å; H493-D515 WeakPolarHBondContact CB-OD2 3.34Å; H493-D515 IonicContact CE1-OD1 3.22Å; H493-D515 IonicContact CE1-OD2 3.54Å; H493-D515 IonicContact CG-OD2 2.86Å; H493-D515 IonicContact ND1-OD1 3.8Å; H493-D515 PolarHBondContact ND1-OD1 3.22Å; H493-D515 IonicContact ND1-OD2 2.58Å; H493-D515 PolarHBondContact ND1-OD2 3.34Å; A494-D515 HydrophobicContact CB-CB 3.97Å; A494-D515 PolarHBondContact N-OD2 3.47Å; D495-D515 HydrophobicContact CB-CB 4.05Å; S513-D515 WeakPolarHBondContact CB-OD1 3.44Å; S513-D515 PolarHBondContact O-N 3.39Å; S513-D515 VanDerWaalsContact OG-CG 3.3Å; S513-D515 PolarHBondContact OG-N 3.09Å; D515-T517 VanDerWaalsContact C-N 3.31Å; D515-T517 WeakPolarHBondContact OD1-CA 3.33Å; D515-T517 WeakPolarHBondContact OD1-CB 3.34Å; D515-T517 PolarHBondContact OD1-N 2.77Å; D515-T517 PolarHBondContact OD1-OG1 2.96Å; D515-T517 PolarHBondContact OD2-OG1 3.47Å
516	G	94.8	Very high	93.2	Very high	4 Å²	4	35 Å²	35	4%	0.041	18%	0.175	C	C	.	.	S	Bend	trans	87.6	-9.1	179.8	0	0	0	0	0	113.6	S513 A514 N534 P542	S513-G516 PolarHBondContact O-N 2.96Å; A514-G516 PolarHBondContact O-N 3.14Å; G516-N534 PolarHBondContact O-ND2 3.39Å; G516-P542 VanDerWaalsContact C-CD 3.43Å; G516-P542 VanDerWaalsContact O-CD 3.24Å; G516-P542 WeakPolarHBondContact O-CD 3.23Å
517	T	96.5	Very high	93.2	Very high	17 Å²	17	37.7 Å²	37.7	10%	0.104	19%	0.192	C	C	.	.			trans	-101.4	152.6	-173.1	71.6	0	0	0	0	113.7	H493 S513 D515 K519 T532	H493-T517 PolarHBondContact CE1-O 2.9Å; H493-T517 PolarHBondContact CE1-OG1 3.42Å; H493-T517 VanDerWaalsContact CE1-OG1 3.28Å; H493-T517 PolarHBondContact ND1-OG1 2.9Å; S513-T517 PolarHBondContact N-O 2.75Å; D515-T517 VanDerWaalsContact C-N 3.31Å; D515-T517 WeakPolarHBondContact OD1-CA 3.33Å; D515-T517 WeakPolarHBondContact OD1-CB 3.34Å; D515-T517 PolarHBondContact OD1-N 2.77Å; D515-T517 PolarHBondContact OD1-OG1 2.96Å; D515-T517 PolarHBondContact OD2-OG1 3.47Å; T517-K519 VanDerWaalsContact OG1-CE 3.27Å; T517-K519 WeakPolarHBondContact OG1-CE 3.44Å; T517-T532 HydrophobicContact CG2-CG2 3.79Å
518	V	97.3	Very high	93.2	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	138.7	162.8	174.2	0	0	0	0	108	S511 C512 T532 F533 P542 V545 M555 A557	S511-V518 CarbonylContact O-C 3.55Å; S511-V518 VanDerWaalsContact O-CA 3.26Å; S511-V518 WeakPolarHBondContact O-CA 3.45Å; S511-V518 WeakPolarHBondContact O-CG1 3.46Å; C512-V518 HydrophobicContact CB-CG2 4.13Å; V518-T532 CarbonylContact O-C 3.4Å; V518-T532 WeakPolarHBondContact O-CA 3.25Å; V518-F533 HydrophobicContact CB-CB 4.28Å; V518-F533 HydrophobicContact CG1-CD2 4.48Å; V518-F533 PolarHBondContact N-O 3.35Å; V518-F533 PolarHBondContact O-N 2.65Å; V518-P542 HydrophobicContact CG2-CB 3.63Å; V518-P542 HydrophobicContact CG2-CG 3.91Å; V518-V545 HydrophobicContact CB-CG1 4.46Å; V518-V545 HydrophobicContact CG1-CG1 3.8Å; V518-V545 HydrophobicContact CG2-CG1 3.79Å; V518-M555 HydrophobicContact CB-CE 4.42Å; V518-M555 HydrophobicContact CG1-CE 3.66Å; V518-M555 HydrophobicContact CG1-SD 4.19Å; V518-A557 HydrophobicContact CG2-CB 4.01Å
519	K	96.8	Very high	93.2	Very high	20 Å²	20	35.5 Å²	35.5	9%	0.087	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	141	-179.1	-67.8	176.8	-169.1	-86.6	0	112.2	G492 H493 L510 S511 T517 W521 S531 T532	G492-K519 WeakPolarHBondContact O-CE 3.31Å; G492-K519 PolarHBondContact O-NZ 2.9Å; H493-K519 VanDerWaalsContact ND1-CE 3.34Å; H493-K519 WeakPolarHBondContact ND1-CE 3.46Å; L510-K519 WeakPolarHBondContact CA-O 3.36Å; S511-K519 PolarHBondContact N-O 2.88Å; S511-K519 PolarHBondContact O-N 3.31Å; T517-K519 VanDerWaalsContact OG1-CE 3.27Å; T517-K519 WeakPolarHBondContact OG1-CE 3.44Å; K519-W521 HydrophobicContact CB-CZ2 3.87Å; K519-W521 HydrophobicContact CD-CH2 4.06Å; K519-W521 HydrophobicContact CD-CZ2 3.58Å; K519-W521 HydrophobicContact CG-CZ2 4.36Å; K519-S531 WeakPolarHBondContact CA-O 3.39Å; K519-T532 HydrophobicContact CG-CG2 3.96Å; K519-T532 PolarHBondContact NZ-OG1 2.68Å
520	L	96.8	Very high	93	Very high	6 Å²	6	39 Å²	39	3%	0.031	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	129.2	172.3	177.7	73.4	0	0	0	109.4	R508 L510 I530 S531 F533 F547 L569	R508-L520 HydrophobicContact CB-CD1 3.84Å; R508-L520 HydrophobicContact CG-CD1 4.17Å; L510-L520 HydrophobicContact CD2-CB 4.12Å; L510-L520 HydrophobicContact CD2-CD1 3.7Å; L510-L520 HydrophobicContact CG-CD1 4.44Å; L520-I530 HydrophobicContact CD2-CB 4.2Å; L520-I530 HydrophobicContact CD2-CD1 4.42Å; L520-I530 HydrophobicContact CD2-CG2 4.18Å; L520-I530 HydrophobicContact CG-CB 4.41Å; L520-I530 PolarHBondContact O-N 3.33Å; L520-S531 PolarHBondContact N-O 2.9Å; L520-F533 HydrophobicContact CB-CE2 4.04Å; L520-F547 HydrophobicContact CD1-CZ 4.48Å; L520-L569 HydrophobicContact CD1-CD2 4.06Å; L520-L569 HydrophobicContact CD2-CD2 4.1Å
521	W	96.1	Very high	92.9	Very high	1 Å²	1	39.9 Å²	39.9	0%	0.004	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	148.7	-176.9	-43.8	79.9	0	0	0	113.2	I465 L490 R508 L509 S511 K519 P528 C529	I465-W521 HydrophobicContact CD1-CZ2 3.86Å; L490-W521 HydrophobicContact CB-CE3 4.05Å; L490-W521 HydrophobicContact CB-CH2 4.41Å; L490-W521 HydrophobicContact CB-CZ3 3.95Å; L490-W521 HydrophobicContact CD1-CB 4.3Å; L490-W521 HydrophobicContact CD1-CD2 4.2Å; L490-W521 HydrophobicContact CD1-CE3 4.21Å; L490-W521 HydrophobicContact CD1-CG 4.27Å; R508-W521 WeakPolarHBondContact CA-O 3.48Å; R508-W521 VanDerWaalsContact CD-O 3.26Å; R508-W521 WeakPolarHBondContact CD-O 3.45Å; L509-W521 HydrophobicContact CB-CB 4.27Å; L509-W521 PolarHBondContact N-O 2.97Å; L509-W521 PolarHBondContact O-N 2.96Å; S511-W521 PolarHBondContact OG-NE1 2.81Å; K519-W521 HydrophobicContact CB-CZ2 3.87Å; K519-W521 HydrophobicContact CD-CH2 4.06Å; K519-W521 HydrophobicContact CD-CZ2 3.58Å; K519-W521 HydrophobicContact CG-CZ2 4.36Å; W521-P528 CarbonylContact C-O 3.59Å; W521-P528 WeakPolarHBondContact CA-O 3.46Å; W521-P528 WeakPolarHBondContact CB-O 3.16Å; W521-P528 HydrophobicContact CE3-CB 4.19Å; W521-P528 HydrophobicContact CE3-CG 4.2Å; W521-P528 HydrophobicContact CZ3-CG 4.38Å; W521-C529 HydrophobicContact CE3-CB 3.73Å; W521-C529 HydrophobicContact CH2-CB 4.44Å; W521-C529 HydrophobicContact CZ3-CB 3.69Å
522	N	93.2	Very high	92.7	Very high	13 Å²	13	42.3 Å²	42.3	7%	0.07	23%	0.227	C	C	.	.			trans	-114.1	110	157	-177.4	-1.4	0	0	0	109.7	R508 V524 E525 P528 I530	R508-N522 PolarHBondContact NH1-ND2 3.05Å; R508-N522 PolarHBondContact NH2-ND2 3.43Å; N522-V524 PolarHBondContact O-N 2.81Å; N522-V524 VanDerWaalsContact O-N 3.14Å; N522-V524 WeakPolarHBondContact OD1-CB 3.17Å; N522-V524 PolarHBondContact OD1-N 3.06Å; N522-E525 HydrophobicContact CB-CB 4.31Å; N522-E525 HydrophobicContact CB-CG 4.36Å; N522-E525 WeakPolarHBondContact ND2-CG 3.21Å; N522-E525 PolarHBondContact ND2-OE1 2.93Å; N522-E525 PolarHBondContact O-N 2.66Å; N522-P528 PolarHBondContact N-O 3.17Å; N522-P528 WeakPolarHBondContact O-CA 3.3Å; N522-I530 HydrophobicContact CB-CD1 3.87Å
523	P	85.1	Confident	92.6	Very high	11 Å²	11	42.7 Å²	42.7	7%	0.071	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-11.1	-178.9	30.4	-36.8	0	0	0	114	F457 W467	F457-P523 HydrophobicContact CE1-CB 3.7Å; F457-P523 HydrophobicContact CE1-CG 4.05Å; F457-P523 HydrophobicContact CZ-CB 3.83Å; F457-P523 HydrophobicContact CZ-CG 3.68Å; W467-P523 HydrophobicContact CE3-CB 4.16Å; W467-P523 HydrophobicContact CZ3-CB 4.25Å
524	V	84.4	Confident	92.3	Very high	105 Å²	105	42.9 Å²	42.9	64%	0.636	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-16.2	179.7	-167.8	0	0	0	0	112.3	N522	N522-V524 PolarHBondContact O-N 2.81Å; N522-V524 VanDerWaalsContact O-N 3.14Å; N522-V524 WeakPolarHBondContact OD1-CB 3.17Å; N522-V524 PolarHBondContact OD1-N 3.06Å
525	E	86.1	Confident	91.9	Very high	100 Å²	100	46.3 Å²	46.3	47%	0.467	25%	0.248	S	C	.	.	S	Bend	trans	-91	150.3	-178.4	-78.6	177.4	-115.5	0	0	112.5	R508 N522 D527	R508-E525 IonicContact NH2-OE1 2.75Å; R508-E525 PolarHBondContact NH2-OE1 3.34Å; N522-E525 HydrophobicContact CB-CB 4.31Å; N522-E525 HydrophobicContact CB-CG 4.36Å; N522-E525 WeakPolarHBondContact ND2-CG 3.21Å; N522-E525 PolarHBondContact ND2-OE1 2.93Å; N522-E525 PolarHBondContact O-N 2.66Å; E525-D527 VanDerWaalsContact C-N 3.32Å; E525-D527 PolarHBondContact O-N 3.06Å
526	K	82	Confident	91.4	Very high	219 Å²	219	50.6 Å²	50.6	95%	0.952	27%	0.271	S	S	*	.	S	Bend	trans	-67.6	-32.6	-176.4	-176.8	-176.1	173.8	-168.8	0	112.8
527	D	85.9	Confident	90.9	Very high	122 Å²	122	54.6 Å²	54.6	65%	0.652	29%	0.292	S	S	*	.	S	Bend	trans	-106	103.9	164.1	-167.4	-11	0	0	0	106.1	E525 C529	E525-D527 VanDerWaalsContact C-N 3.32Å; E525-D527 PolarHBondContact O-N 3.06Å; D527-C529 VanDerWaalsContact C-N 3.34Å; D527-C529 PolarHBondContact O-N 3.17Å
528	P	90.7	Very high	90.3	Very high	26 Å²	26	59.1 Å²	59.1	17%	0.169	31%	0.312	C	S	.	.			trans	-80.4	-15.6	-167	30.9	-35.6	0	0	0	113	L490 W521 N522	L490-P528 HydrophobicContact CD2-CB 3.92Å; L490-P528 HydrophobicContact CD2-CG 4.07Å; W521-P528 CarbonylContact C-O 3.59Å; W521-P528 WeakPolarHBondContact CA-O 3.46Å; W521-P528 WeakPolarHBondContact CB-O 3.16Å; W521-P528 HydrophobicContact CE3-CB 4.19Å; W521-P528 HydrophobicContact CE3-CG 4.2Å; W521-P528 HydrophobicContact CZ3-CG 4.38Å; N522-P528 PolarHBondContact N-O 3.17Å; N522-P528 WeakPolarHBondContact O-CA 3.3Å
529	C	93.5	Very high	89.7	Confident	35 Å²	35	60.2 Å²	60.2	24%	0.236	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	114.6	-177	-162.7	0	0	0	0	110.6	W521 D527	W521-C529 HydrophobicContact CE3-CB 3.73Å; W521-C529 HydrophobicContact CH2-CB 4.44Å; W521-C529 HydrophobicContact CZ3-CB 3.69Å; D527-C529 VanDerWaalsContact C-N 3.34Å; D527-C529 PolarHBondContact O-N 3.17Å
530	I	93.1	Very high	89.3	Confident	75 Å²	75	60.1 Å²	60.1	39%	0.385	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	-51.9	-177.1	-60.5	173.2	0	0	0	110.7	L520 N522	L520-I530 HydrophobicContact CD2-CB 4.2Å; L520-I530 HydrophobicContact CD2-CD1 4.42Å; L520-I530 HydrophobicContact CD2-CG2 4.18Å; L520-I530 HydrophobicContact CG-CB 4.41Å; L520-I530 PolarHBondContact O-N 3.33Å; N522-I530 HydrophobicContact CB-CD1 3.87Å
531	S	93.6	Very high	89.2	Confident	17 Å²	17	62.5 Å²	62.5	12%	0.119	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	142	-174.6	-59.4	0	0	0	0	110.3	K519 L520 S572	K519-S531 WeakPolarHBondContact CA-O 3.39Å; L520-S531 PolarHBondContact N-O 2.9Å; S531-S572 PolarHBondContact OG-OG 3.43Å
532	T	95.3	Very high	89.2	Confident	52 Å²	52	62.5 Å²	62.5	32%	0.319	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	129.7	166.9	-58.3	0	0	0	0	108.3	T517 V518 K519 T535	T517-T532 HydrophobicContact CG2-CG2 3.79Å; V518-T532 CarbonylContact O-C 3.4Å; V518-T532 WeakPolarHBondContact O-CA 3.25Å; K519-T532 HydrophobicContact CG-CG2 3.96Å; K519-T532 PolarHBondContact NZ-OG1 2.68Å; T532-T535 HydrophobicContact CG2-CG2 3.58Å
533	F	94.5	Very high	89.4	Confident	7 Å²	7	62.9 Å²	62.9	3%	0.031	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	161.5	-177	-54.9	-101.7	0	0	0	110.3	V518 L520 T535 M555 Y567 L569	V518-F533 HydrophobicContact CB-CB 4.28Å; V518-F533 HydrophobicContact CG1-CD2 4.48Å; V518-F533 PolarHBondContact N-O 3.35Å; V518-F533 PolarHBondContact O-N 2.65Å; L520-F533 HydrophobicContact CB-CE2 4.04Å; F533-T535 PolarHBondContact O-N 3.44Å; F533-M555 HydrophobicContact CB-CE 4.16Å; F533-M555 HydrophobicContact CD1-CE 3.72Å; F533-M555 HydrophobicContact CD2-CE 3.41Å; F533-M555 VanDerWaalsContact CD2-CE 3.41Å; F533-M555 HydrophobicContact CD2-SD 4.44Å; F533-M555 HydrophobicContact CE1-CE 3.81Å; F533-M555 HydrophobicContact CE2-CE 3.55Å; F533-M555 HydrophobicContact CE2-SD 4.09Å; F533-M555 HydrophobicContact CG-CE 3.51Å; F533-M555 HydrophobicContact CZ-CE 3.74Å; F533-M555 HydrophobicContact CZ-SD 4.25Å; F533-Y567 HydrophobicContact CB-CD1 4.37Å; F533-Y567 HydrophobicContact CB-CE1 4.05Å; F533-Y567 AromaticContact CD1-CD1 3.43Å; F533-Y567 HydrophobicContact CD1-CD1 3.43Å; F533-Y567 VanDerWaalsContact CD1-CD1 3.43Å; F533-Y567 AromaticContact CD1-CE1 3.94Å; F533-Y567 HydrophobicContact CD1-CE1 3.94Å; F533-Y567 AromaticContact CD1-CG 3.75Å; F533-Y567 HydrophobicContact CD1-CG 3.75Å; F533-Y567 HydrophobicContact CE1-CD1 4.08Å; F533-Y567 HydrophobicContact CE1-CG 4.13Å; F533-Y567 HydrophobicContact CG-CD1 4.28Å; F533-Y567 HydrophobicContact CG-CE1 4.46Å; F533-Y567 HydrophobicContact CG-CG 4.47Å; F533-L569 HydrophobicContact CZ-CD2 4.18Å
534	N	92.4	Very high	89.9	Confident	4 Å²	4	62.7 Å²	62.7	2%	0.021	34%	0.336	C	S	.	.			trans	55.7	29.7	-176.3	-164.6	52.6	0	0	0	114	G516 N536 N537 E538 H539 G540 F559	G516-N534 PolarHBondContact O-ND2 3.39Å; N534-N536 PolarHBondContact O-N 3.32Å; N534-N536 VanDerWaalsContact O-N 3.12Å; N534-N537 PolarHBondContact O-N 2.86Å; N534-E538 WeakPolarHBondContact OD1-CG 3.32Å; N534-E538 PolarHBondContact OD1-N 3.4Å; N534-H539 PolarHBondContact OD1-N 3.38Å; N534-G540 PolarHBondContact ND2-O 2.88Å; N534-F559 HydrophobicContact CB-CE1 4.18Å; N534-F559 HydrophobicContact CB-CZ 4.48Å
535	T	86.4	Confident	90.6	Very high	95 Å²	95	58.3 Å²	58.3	58%	0.583	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-21.7	-178	45.8	0	0	0	0	114.4	T532 F533	T532-T535 HydrophobicContact CG2-CG2 3.58Å; F533-T535 PolarHBondContact O-N 3.44Å
536	N	84.9	Confident	91.1	Very high	134 Å²	134	55.4 Å²	55.4	72%	0.717	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	2.7	174.9	-62.4	-37.6	0	0	0	113.3	N534 E538	N534-N536 PolarHBondContact O-N 3.32Å; N534-N536 VanDerWaalsContact O-N 3.12Å; N536-E538 PolarHBondContact O-N 2.96Å
537	N	83.9	Confident	91.7	Very high	88 Å²	88	45.9 Å²	45.9	47%	0.471	26%	0.255	S	S	.	.			trans	54.5	35.6	-172.1	-158.4	16.7	0	0	0	113.3	N534 H539 G540	N534-N537 PolarHBondContact O-N 2.86Å; N537-H539 VanDerWaalsContact C-N 3.31Å; N537-H539 PolarHBondContact O-N 2.92Å; N537-G540 PolarHBondContact O-N 3.47Å; N537-G540 WeakPolarHBondContact OD1-CA 3.38Å; N537-G540 PolarHBondContact OD1-O 3.28Å
538	E	84.4	Confident	92	Very high	112 Å²	112	40.6 Å²	40.6	52%	0.523	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-26.4	-172.9	54.8	-173.7	155.7	0	0	113.9	N534 N536	N534-E538 WeakPolarHBondContact OD1-CG 3.32Å; N534-E538 PolarHBondContact OD1-N 3.4Å; N536-E538 PolarHBondContact O-N 2.96Å
539	H	83.8	Confident	91.5	Very high	22 Å²	22	41.2 Å²	41.2	10%	0.102	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.5	3.7	175.3	-66.3	-62.5	0	0	0	114	N534 N537 F559 N561 D563	N534-H539 PolarHBondContact OD1-N 3.38Å; N537-H539 VanDerWaalsContact C-N 3.31Å; N537-H539 PolarHBondContact O-N 2.92Å; H539-F559 HydrophobicContact CB-CB 4.35Å; H539-F559 HydrophobicContact CB-CD1 3.6Å; H539-F559 HydrophobicContact CB-CD2 3.72Å; H539-F559 HydrophobicContact CB-CE1 3.74Å; H539-F559 HydrophobicContact CB-CE2 3.88Å; H539-F559 HydrophobicContact CB-CG 3.6Å; H539-F559 HydrophobicContact CB-CZ 3.89Å; H539-F559 VanDerWaalsContact O-CB 3.25Å; H539-F559 WeakPolarHBondContact O-CB 3.3Å; H539-N561 VanDerWaalsContact O-CG 3.25Å; H539-N561 PolarHBondContact O-ND2 3.04Å; H539-N561 PolarHBondContact O-OD1 3.29Å; H539-D563 IonicContact ND1-OD2 3.86Å
540	G	89.9	Confident	91	Very high	18 Å²	18	42.3 Å²	42.3	19%	0.186	25%	0.245	C	C	.	.			trans	79.1	-159.8	-169.6	0	0	0	0	0	112.4	N534 N537 F559	N534-G540 PolarHBondContact ND2-O 2.88Å; N537-G540 PolarHBondContact O-N 3.47Å; N537-G540 WeakPolarHBondContact OD1-CA 3.38Å; N537-G540 PolarHBondContact OD1-O 3.28Å; G540-F559 VanDerWaalsContact O-CD1 3.32Å; G540-F559 WeakPolarHBondContact O-CD1 3.24Å
541	I	94.1	Very high	90.8	Very high	57 Å²	57	41.6 Å²	41.6	29%	0.292	24%	0.243	S	C	.	.			trans	-85	128.2	-170.3	-52.5	178.6	0	0	0	110.2	W498 T543 F559 N560	W498-I541 HydrophobicContact CH2-CG2 4.01Å; W498-I541 HydrophobicContact CZ2-CG2 3.64Å; I541-T543 PolarHBondContact O-N 3.43Å; I541-F559 CarbonylContact O-C 3.59Å; I541-F559 WeakPolarHBondContact O-CA 3.4Å; I541-N560 HydrophobicContact CB-CB 4.49Å; I541-N560 PolarHBondContact N-OD1 3.44Å; I541-N560 PolarHBondContact O-N 3.44Å
542	P	96.3	Very high	90.5	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	122.9	-178	29.2	-32.5	0	0	0	111.6	W498 C512 G516 V518 S558 F559	W498-P542 PolarHBondContact NE1-O 2.88Å; C512-P542 HydrophobicContact CB-CB 3.86Å; C512-P542 HydrophobicContact CB-CG 3.94Å; G516-P542 VanDerWaalsContact C-CD 3.43Å; G516-P542 VanDerWaalsContact O-CD 3.24Å; G516-P542 WeakPolarHBondContact O-CD 3.23Å; V518-P542 HydrophobicContact CG2-CB 3.63Å; V518-P542 HydrophobicContact CG2-CG 3.91Å; P542-S558 CarbonylContact C-O 3.58Å; P542-S558 VanDerWaalsContact CA-O 3.31Å; P542-S558 WeakPolarHBondContact CA-O 3.32Å; P542-F559 HydrophobicContact CB-CD1 3.91Å; P542-F559 HydrophobicContact CB-CE1 3.65Å; P542-F559 HydrophobicContact CB-CZ 4.34Å; P542-F559 HydrophobicContact CG-CE1 4.35Å
543	T	96.2	Very high	90.3	Very high	22 Å²	22	41.1 Å²	41.1	14%	0.135	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	-43.4	-176.4	54.7	0	0	0	0	112.5	I541 S558 N560 I592	I541-T543 PolarHBondContact O-N 3.43Å; T543-S558 PolarHBondContact N-O 3.25Å; T543-S558 PolarHBondContact OG1-O 2.93Å; T543-S558 PolarHBondContact OG1-OG 3.14Å; T543-N560 HydrophobicContact CG2-CB 4.04Å; T543-I592 WeakPolarHBondContact CB-O 3.45Å; T543-I592 WeakPolarHBondContact CG2-O 3.41Å; T543-I592 PolarHBondContact OG1-O 3.07Å
544	A	97.4	Very high	90.2	Very high	7 Å²	7	42.9 Å²	42.9	6%	0.058	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	158.5	179.9	0	0	0	0	0	111.7	A557 S558 V595	A544-A557 WeakPolarHBondContact O-CA 3.02Å; A544-S558 PolarHBondContact N-OG 2.96Å; A544-S558 PolarHBondContact O-N 3.48Å; A544-S558 PolarHBondContact O-OG 3.35Å; A544-V595 HydrophobicContact CB-CG1 3.93Å; A544-V595 WeakPolarHBondContact O-CG1 3.34Å
545	V	97.6	Very high	90.4	Very high	12 Å²	12	42.7 Å²	42.7	7%	0.073	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	146.7	-179.1	-70.6	0	0	0	0	111.2	L510 C512 V518 V556 A557	L510-V545 HydrophobicContact CB-CG2 4.12Å; C512-V545 HydrophobicContact CB-CG1 3.78Å; C512-V545 HydrophobicContact CB-CG2 4.39Å; V518-V545 HydrophobicContact CB-CG1 4.46Å; V518-V545 HydrophobicContact CG1-CG1 3.8Å; V518-V545 HydrophobicContact CG2-CG1 3.79Å; V545-V556 WeakPolarHBondContact CA-O 3.47Å; V545-A557 HydrophobicContact CG1-CB 3.9Å
546	D	96.9	Very high	90.9	Very high	39 Å²	39	38.2 Å²	38.2	21%	0.209	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	160.7	171.5	-167.6	18.6	0	0	0	111.5	V556 V596 S597	D546-V556 PolarHBondContact N-O 2.88Å; D546-V556 PolarHBondContact O-N 2.91Å; D546-V596 WeakPolarHBondContact OD2-CA 3.35Å; D546-S597 PolarHBondContact OD2-N 2.8Å
547	F	95.2	Very high	91.4	Very high	19 Å²	19	31.8 Å²	31.8	8%	0.083	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	145.2	171.7	-75	-85.1	0	0	0	111	A501 S503 R508 L510 L520 G549 L569 S597	A501-F547 HydrophobicContact CB-CD2 4.21Å; A501-F547 HydrophobicContact CB-CE2 4.47Å; S503-F547 VanDerWaalsContact CB-CZ 3.47Å; S503-F547 VanDerWaalsContact N-CE2 3.27Å; R508-F547 HydrophobicContact CB-CE1 4.39Å; R508-F547 HydrophobicContact CB-CZ 3.93Å; L510-F547 HydrophobicContact CB-CE2 4.27Å; L510-F547 HydrophobicContact CB-CZ 4.46Å; L510-F547 HydrophobicContact CD1-CD1 3.93Å; L510-F547 HydrophobicContact CD1-CD2 3.82Å; L510-F547 HydrophobicContact CD1-CE1 3.8Å; L510-F547 HydrophobicContact CD1-CE2 3.68Å; L510-F547 HydrophobicContact CD1-CG 3.96Å; L510-F547 HydrophobicContact CD1-CZ 3.69Å; L510-F547 HydrophobicContact CD2-CZ 4.39Å; L510-F547 HydrophobicContact CG-CD2 4.34Å; L510-F547 HydrophobicContact CG-CE1 3.97Å; L510-F547 HydrophobicContact CG-CE2 3.68Å; L510-F547 HydrophobicContact CG-CZ 3.49Å; L510-F547 VanDerWaalsContact CG-CZ 3.49Å; L520-F547 HydrophobicContact CD1-CZ 4.48Å; F547-G549 PolarHBondContact O-N 3.43Å; F547-G549 VanDerWaalsContact O-N 3.13Å; F547-L569 HydrophobicContact CD1-CD1 4.16Å; F547-L569 HydrophobicContact CE1-CD1 3.94Å; F547-S597 WeakPolarHBondContact O-CB 3.4Å; F547-S597 PolarHBondContact O-OG 3.27Å; F547-S597 VanDerWaalsContact O-OG 3.08Å
548	N	91.1	Very high	92	Very high	12 Å²	12	27.6 Å²	27.6	6%	0.064	17%	0.165	C	C	.	.			trans	-74	106.1	173.2	-178.3	-7.7	0	0	0	110	C550 D551 H554	N548-C550 PolarHBondContact O-N 2.89Å; N548-C550 VanDerWaalsContact O-N 3.14Å; N548-C550 PolarHBondContact OD1-N 3.43Å; N548-D551 CarbonylContact O-C 3.49Å; N548-D551 PolarHBondContact O-N 3.36Å; N548-H554 HydrophobicContact CB-CB 3.89Å; N548-H554 WeakPolarHBondContact CB-O 3.32Å; N548-H554 PolarHBondContact N-O 3.46Å
549	G	81.6	Confident	92.5	Very high	38 Å²	38	22.3 Å²	22.3	39%	0.392	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-29	-177.3	0	0	0	0	0	114.8	F547 P599	F547-G549 PolarHBondContact O-N 3.43Å; F547-G549 VanDerWaalsContact O-N 3.13Å; G549-P599 CarbonylContact C-O 3.52Å
550	C	83.5	Confident	92.8	Very high	58 Å²	58	24.1 Å²	24.1	39%	0.392	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-24.7	176.1	-79.7	0	0	0	0	115	N548 L601	N548-C550 PolarHBondContact O-N 2.89Å; N548-C550 VanDerWaalsContact O-N 3.14Å; N548-C550 PolarHBondContact OD1-N 3.43Å; C550-L601 WeakPolarHBondContact SG-CA 3.33Å; C550-L601 PolarHBondContact SG-N 3.47Å; C550-L601 PolarHBondContact SG-O 2.91Å; C550-L601 VanDerWaalsContact SG-O 3.36Å
551	D	88.2	Confident	92.6	Very high	61 Å²	61	26.9 Å²	26.9	33%	0.326	16%	0.161	S	C	.	.			trans	-145.3	96.9	-169	-172.8	-6.8	0	0	0	110.8	N548 A553 H554	N548-D551 CarbonylContact O-C 3.49Å; N548-D551 PolarHBondContact O-N 3.36Å; D551-A553 PolarHBondContact O-N 3.18Å; D551-A553 VanDerWaalsContact OD1-CB 3.29Å; D551-A553 WeakPolarHBondContact OD1-CB 3.48Å; D551-A553 PolarHBondContact OD1-N 2.82Å; D551-H554 PolarHBondContact O-N 3.4Å; D551-H554 IonicContact OD1-ND1 3.39Å; D551-H554 IonicContact OD2-CE1 2.68Å; D551-H554 PolarHBondContact OD2-CE1 3.34Å; D551-H554 IonicContact OD2-CG 3.64Å; D551-H554 IonicContact OD2-ND1 3.99Å; D551-H554 PolarHBondContact OD2-ND1 3.05Å
552	P	87	Confident	92.3	Very high	40 Å²	40	24.3 Å²	24.3	26%	0.26	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-2	178.5	-22.3	34.6	0	0	0	115.1	I505 K506	I505-P552 HydrophobicContact CD1-CB 4.49Å; I505-P552 HydrophobicContact CD1-CG 3.73Å; I505-P552 HydrophobicContact CG2-CB 4.04Å; I505-P552 HydrophobicContact CG2-CG 3.96Å; K506-P552 WeakPolarHBondContact CD-O 3.37Å; K506-P552 WeakPolarHBondContact CE-O 3Å; K506-P552 PolarHBondContact NZ-O 3.46Å
553	A	90.8	Very high	92	Very high	19 Å²	19	25 Å²	25	16%	0.157	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-24.1	165.1	0	0	0	0	0	112.4	D551 L569	D551-A553 PolarHBondContact O-N 3.18Å; D551-A553 VanDerWaalsContact OD1-CB 3.29Å; D551-A553 WeakPolarHBondContact OD1-CB 3.48Å; D551-A553 PolarHBondContact OD1-N 2.82Å; A553-L569 VanDerWaalsContact O-CB 3.24Å; A553-L569 WeakPolarHBondContact O-CB 3.44Å; A553-L569 VanDerWaalsContact O-CG 3.28Å; A553-L569 WeakPolarHBondContact O-CG 3.48Å; A553-L569 PolarHBondContact O-N 3.37Å
554	H	93.4	Very high	92	Very high	43 Å²	43	23.9 Å²	23.9	20%	0.199	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	146.2	-170.6	-70.4	103.6	0	0	0	114	N548 D551 I566 Y567	N548-H554 HydrophobicContact CB-CB 3.89Å; N548-H554 WeakPolarHBondContact CB-O 3.32Å; N548-H554 PolarHBondContact N-O 3.46Å; D551-H554 PolarHBondContact O-N 3.4Å; D551-H554 IonicContact OD1-ND1 3.39Å; D551-H554 IonicContact OD2-CE1 2.68Å; D551-H554 PolarHBondContact OD2-CE1 3.34Å; D551-H554 IonicContact OD2-CG 3.64Å; D551-H554 IonicContact OD2-ND1 3.99Å; D551-H554 PolarHBondContact OD2-ND1 3.05Å; H554-I566 HydrophobicContact CB-CG2 4.01Å; H554-Y567 WeakPolarHBondContact CA-O 3.34Å
555	M	95	Very high	91.9	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.005	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	163.3	166.3	69.1	171.2	-159	0	0	111.1	L510 V518 F533 I566 Y567 L569	L510-M555 HydrophobicContact CD1-CB 3.66Å; L510-M555 HydrophobicContact CD1-CG 4.41Å; L510-M555 HydrophobicContact CD1-SD 3.91Å; L510-M555 HydrophobicContact CD2-SD 3.33Å; L510-M555 WeakPolarHBondContact CD2-SD 3.47Å; L510-M555 HydrophobicContact CG-SD 4.27Å; V518-M555 HydrophobicContact CB-CE 4.42Å; V518-M555 HydrophobicContact CG1-CE 3.66Å; V518-M555 HydrophobicContact CG1-SD 4.19Å; F533-M555 HydrophobicContact CB-CE 4.16Å; F533-M555 HydrophobicContact CD1-CE 3.72Å; F533-M555 HydrophobicContact CD2-CE 3.41Å; F533-M555 VanDerWaalsContact CD2-CE 3.41Å; F533-M555 HydrophobicContact CD2-SD 4.44Å; F533-M555 HydrophobicContact CE1-CE 3.81Å; F533-M555 HydrophobicContact CE2-CE 3.55Å; F533-M555 HydrophobicContact CE2-SD 4.09Å; F533-M555 HydrophobicContact CG-CE 3.51Å; F533-M555 HydrophobicContact CZ-CE 3.74Å; F533-M555 HydrophobicContact CZ-SD 4.25Å; M555-I566 CarbonylContact O-C 3.57Å; M555-I566 VanDerWaalsContact O-CA 3.3Å; M555-I566 WeakPolarHBondContact O-CA 3.49Å; M555-I566 WeakPolarHBondContact O-CG2 3.44Å; M555-Y567 HydrophobicContact CE-CD2 3.42Å; M555-Y567 VanDerWaalsContact CE-CD2 3.42Å; M555-Y567 HydrophobicContact CE-CE2 4.15Å; M555-Y567 HydrophobicContact CE-CG 3.66Å; M555-Y567 HydrophobicContact CG-CD2 4.49Å; M555-Y567 PolarHBondContact N-O 2.81Å; M555-Y567 PolarHBondContact O-N 3.42Å; M555-L569 HydrophobicContact CB-CD2 3.92Å; M555-L569 HydrophobicContact CB-CG 4.34Å; M555-L569 HydrophobicContact CG-CD2 3.64Å; M555-L569 HydrophobicContact CG-CG 4.34Å; M555-L569 HydrophobicContact SD-CD2 3.59Å; M555-L569 VanDerWaalsContact SD-CD2 3.59Å
556	V	96.8	Very high	91.8	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	131.8	-177.6	-173.5	0	0	0	0	108.9	V545 D546 V564 I566 V595 T604	V545-V556 WeakPolarHBondContact CA-O 3.47Å; D546-V556 PolarHBondContact N-O 2.88Å; D546-V556 PolarHBondContact O-N 2.91Å; V556-V564 HydrophobicContact CG1-CG1 3.34Å; V556-I566 HydrophobicContact CG2-CG1 4.39Å; V556-V595 HydrophobicContact CG1-CG2 3.74Å; V556-T604 HydrophobicContact CG1-CG2 3.82Å
557	A	97	Very high	91.7	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	129.2	174.6	0	0	0	0	0	110.3	V518 A544 V545 F559 V564 A565 Y567	V518-A557 HydrophobicContact CG2-CB 4.01Å; A544-A557 WeakPolarHBondContact O-CA 3.02Å; V545-A557 HydrophobicContact CG1-CB 3.9Å; A557-F559 HydrophobicContact CB-CE2 3.83Å; A557-F559 HydrophobicContact CB-CZ 3.91Å; A557-F559 WeakPolarHBondContact O-CD2 3.45Å; A557-F559 VanDerWaalsContact O-CE2 3.24Å; A557-F559 WeakPolarHBondContact O-CE2 3.21Å; A557-V564 CarbonylContact O-C 3.58Å; A557-V564 VanDerWaalsContact O-CA 3.31Å; A557-V564 WeakPolarHBondContact O-CA 3.45Å; A557-V564 VanDerWaalsContact O-CG1 3.32Å; A557-V564 WeakPolarHBondContact O-CG1 3.45Å; A557-A565 PolarHBondContact N-O 3.45Å; A557-A565 PolarHBondContact O-N 2.83Å; A557-Y567 HydrophobicContact CB-CE2 4.16Å
558	S	95.7	Very high	91.7	Very high	0 Å²	0	22 Å²	22	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	151.5	171.1	58.3	0	0	0	0	111.4	P542 T543 A544 I592	P542-S558 CarbonylContact C-O 3.58Å; P542-S558 VanDerWaalsContact CA-O 3.31Å; P542-S558 WeakPolarHBondContact CA-O 3.32Å; T543-S558 PolarHBondContact N-O 3.25Å; T543-S558 PolarHBondContact OG1-O 2.93Å; T543-S558 PolarHBondContact OG1-OG 3.14Å; A544-S558 PolarHBondContact N-OG 2.96Å; A544-S558 PolarHBondContact O-N 3.48Å; A544-S558 PolarHBondContact O-OG 3.35Å; S558-I592 VanDerWaalsContact CB-CG2 3.48Å
559	F	94.2	Very high	91.7	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	157.5	-175.9	-63.2	-91.3	0	0	0	112.5	N534 H539 G540 I541 P542 A557 N561 G562 D563 A565 Y567	N534-F559 HydrophobicContact CB-CE1 4.18Å; N534-F559 HydrophobicContact CB-CZ 4.48Å; H539-F559 HydrophobicContact CB-CB 4.35Å; H539-F559 HydrophobicContact CB-CD1 3.6Å; H539-F559 HydrophobicContact CB-CD2 3.72Å; H539-F559 HydrophobicContact CB-CE1 3.74Å; H539-F559 HydrophobicContact CB-CE2 3.88Å; H539-F559 HydrophobicContact CB-CG 3.6Å; H539-F559 HydrophobicContact CB-CZ 3.89Å; H539-F559 VanDerWaalsContact O-CB 3.25Å; H539-F559 WeakPolarHBondContact O-CB 3.3Å; G540-F559 VanDerWaalsContact O-CD1 3.32Å; G540-F559 WeakPolarHBondContact O-CD1 3.24Å; I541-F559 CarbonylContact O-C 3.59Å; I541-F559 WeakPolarHBondContact O-CA 3.4Å; P542-F559 HydrophobicContact CB-CD1 3.91Å; P542-F559 HydrophobicContact CB-CE1 3.65Å; P542-F559 HydrophobicContact CB-CZ 4.34Å; P542-F559 HydrophobicContact CG-CE1 4.35Å; A557-F559 HydrophobicContact CB-CE2 3.83Å; A557-F559 HydrophobicContact CB-CZ 3.91Å; A557-F559 WeakPolarHBondContact O-CD2 3.45Å; A557-F559 VanDerWaalsContact O-CE2 3.24Å; A557-F559 WeakPolarHBondContact O-CE2 3.21Å; F559-N561 WeakPolarHBondContact CB-OD1 3.3Å; F559-N561 PolarHBondContact O-N 2.9Å; F559-N561 VanDerWaalsContact O-N 3.11Å; F559-G562 PolarHBondContact O-N 3.39Å; F559-D563 PolarHBondContact N-O 2.91Å; F559-A565 HydrophobicContact CE2-CB 3.74Å; F559-A565 HydrophobicContact CZ-CB 4.49Å; F559-Y567 HydrophobicContact CZ-CE2 4.26Å
560	N	90.5	Very high	92.1	Very high	61 Å²	61	27 Å²	27	33%	0.326	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-15.1	-177.2	71.5	-21.3	0	0	0	114.1	I541 T543 H591	I541-N560 HydrophobicContact CB-CB 4.49Å; I541-N560 PolarHBondContact N-OD1 3.44Å; I541-N560 PolarHBondContact O-N 3.44Å; T543-N560 HydrophobicContact CG2-CB 4.04Å; N560-H591 WeakPolarHBondContact CA-ND1 3.39Å; N560-H591 PolarHBondContact O-ND1 3.16Å
561	N	86.2	Confident	92.5	Very high	75 Å²	75	28 Å²	28	40%	0.401	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-9.4	175.4	76.7	-19.1	0	0	0	114.2	H539 F559 D563	H539-N561 VanDerWaalsContact O-CG 3.25Å; H539-N561 PolarHBondContact O-ND2 3.04Å; H539-N561 PolarHBondContact O-OD1 3.29Å; F559-N561 WeakPolarHBondContact CB-OD1 3.3Å; F559-N561 PolarHBondContact O-N 2.9Å; F559-N561 VanDerWaalsContact O-N 3.11Å; N561-D563 PolarHBondContact ND2-OD2 3.25Å; N561-D563 WeakPolarHBondContact OD1-CB 3.19Å; N561-D563 PolarHBondContact OD1-N 3.44Å
562	G	87.4	Confident	92.6	Very high	4 Å²	4	27.5 Å²	27.5	4%	0.041	15%	0.153	C	C	.	.	S	Bend	trans	89.5	5.9	-176.5	0	0	0	0	0	116.3	F559 N590	F559-G562 PolarHBondContact O-N 3.39Å; G562-N590 WeakPolarHBondContact CA-O 3.46Å
563	D	91.1	Very high	92.7	Very high	13 Å²	13	31.9 Å²	31.9	7%	0.07	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	153.3	163.3	-71.8	-25.2	0	0	0	110.8	H539 F559 N561 V577 K579	H539-D563 IonicContact ND1-OD2 3.86Å; F559-D563 PolarHBondContact N-O 2.91Å; N561-D563 PolarHBondContact ND2-OD2 3.25Å; N561-D563 WeakPolarHBondContact OD1-CB 3.19Å; N561-D563 PolarHBondContact OD1-N 3.44Å; D563-V577 HydrophobicContact CB-CG1 4.15Å; D563-K579 WeakPolarHBondContact OD1-CG 3.42Å; D563-K579 IonicContact OD1-NZ 2.68Å; D563-K579 PolarHBondContact OD1-NZ 2.95Å; D563-K579 IonicContact OD2-NZ 2.72Å; D563-K579 PolarHBondContact OD2-NZ 2.92Å
564	V	95	Very high	92.8	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	123.8	163.3	-175.8	0	0	0	0	108.3	V556 A557 V577 L578 I592 V595 T604 T606	V556-V564 HydrophobicContact CG1-CG1 3.34Å; A557-V564 CarbonylContact O-C 3.58Å; A557-V564 VanDerWaalsContact O-CA 3.31Å; A557-V564 WeakPolarHBondContact O-CA 3.45Å; A557-V564 VanDerWaalsContact O-CG1 3.32Å; A557-V564 WeakPolarHBondContact O-CG1 3.45Å; V564-V577 CarbonylContact O-C 3.5Å; V564-V577 WeakPolarHBondContact O-CA 3.41Å; V564-L578 HydrophobicContact CB-CB 4.14Å; V564-L578 HydrophobicContact CB-CD1 4.07Å; V564-L578 HydrophobicContact CB-CG 4.27Å; V564-L578 HydrophobicContact CG1-CD1 4.03Å; V564-L578 PolarHBondContact N-O 3.46Å; V564-L578 PolarHBondContact O-N 3.48Å; V564-I592 HydrophobicContact CG2-CD1 3.59Å; V564-V595 HydrophobicContact CG1-CG2 4.36Å; V564-T604 HydrophobicContact CG1-CG2 4.32Å; V564-T606 HydrophobicContact CG2-CG2 3.79Å
565	A	95.1	Very high	92.7	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	132.3	174.1	0	0	0	0	0	110.3	A557 F559 Y567 T574	A557-A565 PolarHBondContact N-O 3.45Å; A557-A565 PolarHBondContact O-N 2.83Å; F559-A565 HydrophobicContact CE2-CB 3.74Å; F559-A565 HydrophobicContact CZ-CB 4.49Å; A565-Y567 HydrophobicContact CB-CD2 4.08Å; A565-Y567 HydrophobicContact CB-CE2 3.47Å; A565-Y567 VanDerWaalsContact CB-CE2 3.47Å; A565-T574 HydrophobicContact CB-CG2 4.15Å
566	I	95.8	Very high	92.6	Very high	6 Å²	6	36.6 Å²	36.6	3%	0.031	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	122.3	164.6	-52.7	-172.7	0	0	0	107	H554 M555 V556 A575 L576 L578 N618	H554-I566 HydrophobicContact CB-CG2 4.01Å; M555-I566 CarbonylContact O-C 3.57Å; M555-I566 VanDerWaalsContact O-CA 3.3Å; M555-I566 WeakPolarHBondContact O-CA 3.49Å; M555-I566 WeakPolarHBondContact O-CG2 3.44Å; V556-I566 HydrophobicContact CG2-CG1 4.39Å; I566-A575 PolarHBondContact O-N 3.13Å; I566-L576 HydrophobicContact CB-CB 4.26Å; I566-L576 HydrophobicContact CD1-CD2 4.36Å; I566-L576 PolarHBondContact N-O 3.13Å; I566-L576 PolarHBondContact O-N 3.18Å; I566-L578 HydrophobicContact CD1-CD1 4.19Å; I566-L578 HydrophobicContact CD1-CD2 4.03Å; I566-L578 HydrophobicContact CD1-CG 4.37Å; I566-L578 HydrophobicContact CG1-CD1 4.27Å; I566-L578 HydrophobicContact CG1-CD2 4.4Å; I566-L578 HydrophobicContact CG1-CG 4.32Å; I566-N618 HydrophobicContact CD1-CB 3.6Å
567	Y	95.4	Very high	92.5	Very high	3 Å²	3	38.8 Å²	38.8	1%	0.012	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	141.1	177.5	-64.3	-90	0	0	0	110.5	F533 H554 M555 A557 F559 A565 Q573 T574	F533-Y567 HydrophobicContact CB-CD1 4.37Å; F533-Y567 HydrophobicContact CB-CE1 4.05Å; F533-Y567 AromaticContact CD1-CD1 3.43Å; F533-Y567 HydrophobicContact CD1-CD1 3.43Å; F533-Y567 VanDerWaalsContact CD1-CD1 3.43Å; F533-Y567 AromaticContact CD1-CE1 3.94Å; F533-Y567 HydrophobicContact CD1-CE1 3.94Å; F533-Y567 AromaticContact CD1-CG 3.75Å; F533-Y567 HydrophobicContact CD1-CG 3.75Å; F533-Y567 HydrophobicContact CE1-CD1 4.08Å; F533-Y567 HydrophobicContact CE1-CG 4.13Å; F533-Y567 HydrophobicContact CG-CD1 4.28Å; F533-Y567 HydrophobicContact CG-CE1 4.46Å; F533-Y567 HydrophobicContact CG-CG 4.47Å; H554-Y567 WeakPolarHBondContact CA-O 3.34Å; M555-Y567 HydrophobicContact CE-CD2 3.42Å; M555-Y567 VanDerWaalsContact CE-CD2 3.42Å; M555-Y567 HydrophobicContact CE-CE2 4.15Å; M555-Y567 HydrophobicContact CE-CG 3.66Å; M555-Y567 HydrophobicContact CG-CD2 4.49Å; M555-Y567 PolarHBondContact N-O 2.81Å; M555-Y567 PolarHBondContact O-N 3.42Å; A557-Y567 HydrophobicContact CB-CE2 4.16Å; F559-Y567 HydrophobicContact CZ-CE2 4.26Å; A565-Y567 HydrophobicContact CB-CD2 4.08Å; A565-Y567 HydrophobicContact CB-CE2 3.47Å; A565-Y567 VanDerWaalsContact CB-CE2 3.47Å; Y567-Q573 WeakPolarHBondContact CA-O 3.31Å; Y567-T574 WeakPolarHBondContact CE1-OG1 3.43Å
568	D	94.1	Very high	92.1	Very high	28 Å²	28	38.8 Å²	38.8	15%	0.15	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	124.5	164.3	168.5	24.6	0	0	0	109.2	E570 T571 S572 Q573 A575	D568-E570 VanDerWaalsContact C-N 3.29Å; D568-E570 PolarHBondContact O-N 2.88Å; D568-E570 PolarHBondContact OD1-N 3.23Å; D568-T571 VanDerWaalsContact OD2-CB 3.24Å; D568-T571 WeakPolarHBondContact OD2-CB 3.34Å; D568-T571 WeakPolarHBondContact OD2-CG2 3.44Å; D568-T571 PolarHBondContact OD2-N 2.86Å; D568-T571 PolarHBondContact OD2-OG1 3.2Å; D568-S572 WeakPolarHBondContact O-CA 3.44Å; D568-S572 PolarHBondContact O-N 3.41Å; D568-Q573 PolarHBondContact N-O 3.16Å; D568-Q573 PolarHBondContact O-N 3.03Å; D568-A575 HydrophobicContact CB-CB 4.48Å
569	L	92.2	Very high	91.6	Very high	16 Å²	16	44.5 Å²	44.5	8%	0.084	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-19.3	-179.8	-62	172.6	0	0	0	112.8	L520 F533 F547 A553 M555	L520-L569 HydrophobicContact CD1-CD2 4.06Å; L520-L569 HydrophobicContact CD2-CD2 4.1Å; F533-L569 HydrophobicContact CZ-CD2 4.18Å; F547-L569 HydrophobicContact CD1-CD1 4.16Å; F547-L569 HydrophobicContact CE1-CD1 3.94Å; A553-L569 VanDerWaalsContact O-CB 3.24Å; A553-L569 WeakPolarHBondContact O-CB 3.44Å; A553-L569 VanDerWaalsContact O-CG 3.28Å; A553-L569 WeakPolarHBondContact O-CG 3.48Å; A553-L569 PolarHBondContact O-N 3.37Å; M555-L569 HydrophobicContact CB-CD2 3.92Å; M555-L569 HydrophobicContact CB-CG 4.34Å; M555-L569 HydrophobicContact CG-CD2 3.64Å; M555-L569 HydrophobicContact CG-CG 4.34Å; M555-L569 HydrophobicContact SD-CD2 3.59Å; M555-L569 VanDerWaalsContact SD-CD2 3.59Å
570	E	89.9	Confident	90.3	Very high	138 Å²	138	45.3 Å²	45.3	65%	0.645	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	-39.5	-175	-62.1	-175.4	-166.2	0	0	111.9	K506 D568	K506-E570 IonicContact NZ-OE1 2.69Å; K506-E570 PolarHBondContact NZ-OE1 2.94Å; D568-E570 VanDerWaalsContact C-N 3.29Å; D568-E570 PolarHBondContact O-N 2.88Å; D568-E570 PolarHBondContact OD1-N 3.23Å
571	T	90.7	Very high	88.6	Confident	81 Å²	81	50.2 Å²	50.2	50%	0.497	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-16.1	167.2	60	0	0	0	0	114.1	D568 Q573	D568-T571 VanDerWaalsContact OD2-CB 3.24Å; D568-T571 WeakPolarHBondContact OD2-CB 3.34Å; D568-T571 WeakPolarHBondContact OD2-CG2 3.44Å; D568-T571 PolarHBondContact OD2-N 2.86Å; D568-T571 PolarHBondContact OD2-OG1 3.2Å; T571-Q573 VanDerWaalsContact C-N 3.3Å; T571-Q573 PolarHBondContact O-N 2.9Å
572	S	90.8	Very high	87	Confident	49 Å²	49	48.3 Å²	48.3	34%	0.343	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.7	37.3	-170.6	-61.3	0	0	0	0	113.9	S531 D568	S531-S572 PolarHBondContact OG-OG 3.43Å; D568-S572 WeakPolarHBondContact O-CA 3.44Å; D568-S572 PolarHBondContact O-N 3.41Å
573	Q	89.6	Confident	84.8	Confident	132 Å²	132	56.1 Å²	56.1	62%	0.617	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.9	156.5	-178.6	-67	179.4	23.7	0	0	112.3	Y567 D568 T571 A575	Y567-Q573 WeakPolarHBondContact CA-O 3.31Å; D568-Q573 PolarHBondContact N-O 3.16Å; D568-Q573 PolarHBondContact O-N 3.03Å; T571-Q573 VanDerWaalsContact C-N 3.3Å; T571-Q573 PolarHBondContact O-N 2.9Å; Q573-A575 PolarHBondContact O-N 3.46Å
574	T	92.8	Very high	82.8	Confident	52 Å²	52	58.6 Å²	58.6	32%	0.319	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	108.6	174.1	-47.7	0	0	0	0	109.9	A565 Y567 V577	A565-T574 HydrophobicContact CB-CG2 4.15Å; Y567-T574 WeakPolarHBondContact CE1-OG1 3.43Å; T574-V577 HydrophobicContact CG2-CG2 3.68Å
575	A	92.1	Very high	80.3	Confident	57 Å²	57	65 Å²	65	47%	0.471	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	-35.9	179.7	0	0	0	0	0	111.9	I566 D568 Q573	I566-A575 PolarHBondContact O-N 3.13Å; D568-A575 HydrophobicContact CB-CB 4.48Å; Q573-A575 PolarHBondContact O-N 3.46Å
576	L	92.9	Very high	78.1	Confident	53 Å²	53	69.2 Å²	69.2	28%	0.277	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	148.5	-178.8	-173.5	58.2	0	0	0	111	I566 L578 N618	I566-L576 HydrophobicContact CB-CB 4.26Å; I566-L576 HydrophobicContact CD1-CD2 4.36Å; I566-L576 PolarHBondContact N-O 3.13Å; I566-L576 PolarHBondContact O-N 3.18Å; L576-L578 HydrophobicContact CD2-CD2 3.77Å; L576-L578 HydrophobicContact CG-CD2 3.95Å; L576-N618 WeakPolarHBondContact CD2-O 3.44Å
577	V	93.3	Very high	75.8	Confident	46 Å²	46	75 Å²	75	28%	0.279	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	115.6	171.4	-175.5	0	0	0	0	108.7	D563 V564 T574 K579	D563-V577 HydrophobicContact CB-CG1 4.15Å; V564-V577 CarbonylContact O-C 3.5Å; V564-V577 WeakPolarHBondContact O-CA 3.41Å; T574-V577 HydrophobicContact CG2-CG2 3.68Å; V577-K579 HydrophobicContact CG1-CG 4.17Å
578	L	90.4	Very high	74	Confident	0 Å²	0	77.3 Å²	77.3	0%	0	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	109.2	173.4	-33.7	173.5	0	0	0	106.8	V564 I566 L576 T604 F616	V564-L578 HydrophobicContact CB-CB 4.14Å; V564-L578 HydrophobicContact CB-CD1 4.07Å; V564-L578 HydrophobicContact CB-CG 4.27Å; V564-L578 HydrophobicContact CG1-CD1 4.03Å; V564-L578 PolarHBondContact N-O 3.46Å; V564-L578 PolarHBondContact O-N 3.48Å; I566-L578 HydrophobicContact CD1-CD1 4.19Å; I566-L578 HydrophobicContact CD1-CD2 4.03Å; I566-L578 HydrophobicContact CD1-CG 4.37Å; I566-L578 HydrophobicContact CG1-CD1 4.27Å; I566-L578 HydrophobicContact CG1-CD2 4.4Å; I566-L578 HydrophobicContact CG1-CG 4.32Å; L576-L578 HydrophobicContact CD2-CD2 3.77Å; L576-L578 HydrophobicContact CG-CD2 3.95Å; L578-T604 HydrophobicContact CD1-CG2 4.16Å; L578-F616 HydrophobicContact CB-CB 4.44Å; L578-F616 HydrophobicContact CB-CD1 3.87Å; L578-F616 HydrophobicContact CB-CE1 4.34Å; L578-F616 HydrophobicContact CB-CG 4.17Å; L578-F616 HydrophobicContact CD1-CB 3.79Å; L578-F616 HydrophobicContact CD1-CG 4.19Å
579	K	84.3	Confident	72.5	Confident	120 Å²	120	79.7 Å²	79.7	52%	0.522	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	129.3	175.8	-62.3	-158.2	156.7	-79.4	0	110	D563 V577 Q581	D563-K579 WeakPolarHBondContact OD1-CG 3.42Å; D563-K579 IonicContact OD1-NZ 2.68Å; D563-K579 PolarHBondContact OD1-NZ 2.95Å; D563-K579 IonicContact OD2-NZ 2.72Å; D563-K579 PolarHBondContact OD2-NZ 2.92Å; V577-K579 HydrophobicContact CG1-CG 4.17Å; K579-Q581 PolarHBondContact O-N 3.42Å
580	G	65.9	Low	71.7	Confident	18 Å²	18	80.5 Å²	80.5	19%	0.186	47%	0.473	C	S	.	.			trans	-61.5	107.2	167.7	0	0	0	0	0	110.4	G582	G580-G582 VanDerWaalsContact C-N 3.26Å; G580-G582 PolarHBondContact O-N 2.99Å
581	Q	56.4	Low	71.7	Confident	164 Å²	164	76.7 Å²	76.7	77%	0.766	46%	0.455	S	S	*	.			trans	-74.6	82.2	173.4	-73.4	-159.1	-71.7	0	0	110.4	K579	K579-Q581 PolarHBondContact O-N 3.42Å
582	G	51.4	Low	71.9	Confident	34 Å²	34	72.9 Å²	72.9	35%	0.351	43%	0.432	S	S	.	.			trans	-132.1	111.7	166.6	0	0	0	0	0	109.2	G580 S584	G580-G582 VanDerWaalsContact C-N 3.26Å; G580-G582 PolarHBondContact O-N 2.99Å; G582-S584 PolarHBondContact O-N 2.93Å
583	D	41.3	Very low	72.1	Confident	168 Å²	168	72.4 Å²	72.4	90%	0.898	43%	0.426	S	S	*	.			trans	-76.6	45.4	178.4	-158.7	20	0	0	0	111.3	T585	D583-T585 PolarHBondContact O-N 2.97Å
584	S	49.4	Very low	72.5	Confident	65 Å²	65	68.9 Å²	68.9	46%	0.455	41%	0.408	S	S	.	.			trans	-85	107.1	176.3	-76.6	0	0	0	0	109.1	G582 V586	G582-S584 PolarHBondContact O-N 2.93Å; S584-V586 PolarHBondContact O-N 2.95Å; S584-V586 VanDerWaalsContact O-N 3.09Å
585	T	41.6	Very low	72.7	Confident	135 Å²	135	66.5 Å²	66.5	83%	0.828	39%	0.394	S	S	*	.			trans	-68.7	2.1	174.5	51	0	0	0	0	113.9	D583	D583-T585 PolarHBondContact O-N 2.97Å
586	V	49.8	Very low	73	Confident	88 Å²	88	64.4 Å²	64.4	53%	0.533	38%	0.375	S	S	.	.	S	Bend	trans	-99	117.2	179.8	-173.9	0	0	0	0	109.8	S584 L589	S584-V586 PolarHBondContact O-N 2.95Å; S584-V586 VanDerWaalsContact O-N 3.09Å; V586-L589 HydrophobicContact CB-CD1 4.01Å; V586-L589 HydrophobicContact CG1-CD1 4.41Å
587	P	47.9	Very low	73.1	Confident	127 Å²	127	62.3 Å²	62.3	83%	0.825	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	138.1	175.4	-24.3	34.7	0	0	0	112.5
588	G	57.1	Low	73.3	Confident	53 Å²	53	60.6 Å²	60.6	55%	0.546	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	105.4	-27.6	171.8	0	0	0	0	0	116.2	N590 H591	G588-N590 VanDerWaalsContact C-N 3.28Å; G588-N590 PolarHBondContact O-N 3.46Å; G588-N590 VanDerWaalsContact O-N 3.16Å; G588-H591 WeakPolarHBondContact O-CB 3.36Å; G588-H591 PolarHBondContact O-N 3.04Å; G588-H591 VanDerWaalsContact O-N 3.12Å
589	L	62.5	Low	73.4	Confident	78 Å²	78	62.6 Å²	62.6	41%	0.408	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-26.4	-173.1	-70.5	176.2	0	0	0	115	V586 H591 D610	V586-L589 HydrophobicContact CB-CD1 4.01Å; V586-L589 HydrophobicContact CG1-CD1 4.41Å; L589-H591 VanDerWaalsContact C-N 3.32Å; L589-H591 PolarHBondContact O-N 2.88Å; L589-D610 WeakPolarHBondContact O-CB 3.45Å
590	N	75.4	Confident	73.7	Confident	32 Å²	32	61.1 Å²	61.1	17%	0.171	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	17	178.1	-73.4	-55	0	0	0	113.9	G562 G588 I592 K614	G562-N590 WeakPolarHBondContact CA-O 3.46Å; G588-N590 VanDerWaalsContact C-N 3.28Å; G588-N590 PolarHBondContact O-N 3.46Å; G588-N590 VanDerWaalsContact O-N 3.16Å; N590-I592 PolarHBondContact O-N 3.42Å; N590-K614 PolarHBondContact OD1-NZ 2.87Å
591	H	89.9	Confident	75	Confident	58 Å²	58	64.4 Å²	64.4	27%	0.269	38%	0.381	S	S	.	.			trans	-63.3	129.6	179.4	-168.5	73.9	0	0	0	111.8	N560 G588 L589 N593 H608 E609	N560-H591 WeakPolarHBondContact CA-ND1 3.39Å; N560-H591 PolarHBondContact O-ND1 3.16Å; G588-H591 WeakPolarHBondContact O-CB 3.36Å; G588-H591 PolarHBondContact O-N 3.04Å; G588-H591 VanDerWaalsContact O-N 3.12Å; L589-H591 VanDerWaalsContact C-N 3.32Å; L589-H591 PolarHBondContact O-N 2.88Å; H591-N593 PolarHBondContact CD2-OD1 2.94Å; H591-N593 VanDerWaalsContact CD2-OD1 3.28Å; H591-H608 WeakPolarHBondContact O-CA 3.23Å; H591-E609 HydrophobicContact CB-CB 4Å; H591-E609 PolarHBondContact O-N 2.99Å
592	I	95.1	Very high	76.8	Confident	1 Å²	1	58.1 Å²	58.1	1%	0.005	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	118.1	-177.7	-60.3	167.7	0	0	0	109.5	T543 S558 V564 N590 T606 A607 H608	T543-I592 WeakPolarHBondContact CB-O 3.45Å; T543-I592 WeakPolarHBondContact CG2-O 3.41Å; T543-I592 PolarHBondContact OG1-O 3.07Å; S558-I592 VanDerWaalsContact CB-CG2 3.48Å; V564-I592 HydrophobicContact CG2-CD1 3.59Å; N590-I592 PolarHBondContact O-N 3.42Å; I592-T606 HydrophobicContact CD1-CG2 4.31Å; I592-T606 HydrophobicContact CG2-CG2 4.1Å; I592-A607 CarbonylContact C-O 3.49Å; I592-A607 WeakPolarHBondContact CA-O 3.47Å; I592-H608 VanDerWaalsContact CG1-CE1 3.42Å; I592-H608 WeakPolarHBondContact CG1-CE1 3.37Å
593	N	95.8	Very high	78.8	Confident	40 Å²	40	57.5 Å²	57.5	21%	0.214	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	-36.6	179.9	-66.8	-36.3	0	0	0	113	H591 A607 E609 V634	H591-N593 PolarHBondContact CD2-OD1 2.94Å; H591-N593 VanDerWaalsContact CD2-OD1 3.28Å; N593-A607 PolarHBondContact N-O 3.23Å; N593-E609 PolarHBondContact ND2-OE2 3.34Å; N593-V634 WeakPolarHBondContact CB-O 3.5Å; N593-V634 PolarHBondContact ND2-O 3.27Å
594	K	97.6	Very high	81.5	Confident	57 Å²	57	49.5 Å²	49.5	25%	0.248	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	141.8	179.6	-158	98.3	175.7	-165.4	0	111	T606 A607 L637 D682	K594-T606 WeakPolarHBondContact O-CA 3.24Å; K594-A607 HydrophobicContact CB-CB 4.28Å; K594-A607 PolarHBondContact O-N 3.25Å; K594-L637 HydrophobicContact CG-CB 4.4Å; K594-D682 IonicContact NZ-OD1 2.83Å; K594-D682 PolarHBondContact NZ-OD1 2.94Å
595	V	97.4	Very high	83.7	Confident	2 Å²	2	46.4 Å²	46.4	1%	0.012	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	141.3	167.1	69.2	0	0	0	0	109.5	A544 V556 V564 T604 I605 T606	A544-V595 HydrophobicContact CB-CG1 3.93Å; A544-V595 WeakPolarHBondContact O-CG1 3.34Å; V556-V595 HydrophobicContact CG1-CG2 3.74Å; V564-V595 HydrophobicContact CG1-CG2 4.36Å; V595-T604 HydrophobicContact CG2-CG2 3.44Å; V595-T604 VanDerWaalsContact CG2-CG2 3.44Å; V595-I605 WeakPolarHBondContact CA-O 3.24Å; V595-T606 HydrophobicContact CB-CG2 4.25Å; V595-T606 HydrophobicContact CG2-CG2 3.83Å
596	V	97.3	Very high	86.4	Confident	14 Å²	14	40 Å²	40	9%	0.085	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	143.7	171.6	-64.7	0	0	0	0	110	D546 I605 L637 V639 L646	D546-V596 WeakPolarHBondContact OD2-CA 3.35Å; V596-I605 HydrophobicContact CG2-CB 3.93Å; V596-I605 PolarHBondContact N-O 3.18Å; V596-I605 PolarHBondContact O-N 3.24Å; V596-L637 HydrophobicContact CG1-CB 4.06Å; V596-L637 WeakPolarHBondContact CG1-O 3.43Å; V596-L637 HydrophobicContact CG2-CB 3.86Å; V596-L637 HydrophobicContact CG2-CD1 4.08Å; V596-V639 HydrophobicContact CB-CG2 4.27Å; V596-V639 HydrophobicContact CG2-CG2 3.7Å; V596-L646 HydrophobicContact CG2-CD1 4.33Å
597	S	96.1	Very high	88.6	Confident	9 Å²	9	35.8 Å²	35.8	6%	0.063	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	144.4	173.9	-59.1	0	0	0	0	110.5	D546 F547	D546-S597 PolarHBondContact OD2-N 2.8Å; F547-S597 WeakPolarHBondContact O-CB 3.4Å; F547-S597 PolarHBondContact O-OG 3.27Å; F547-S597 VanDerWaalsContact O-OG 3.08Å
598	H	95.9	Very high	90.9	Very high	10 Å²	10	29.8 Å²	29.8	5%	0.046	18%	0.175	C	C	.	.			trans	-70.7	133.9	171.1	-167.2	-88	0	0	0	110.2	T600 L601 V603 G643	H598-T600 VanDerWaalsContact C-N 3.26Å; H598-T600 PolarHBondContact CE1-OG1 2.98Å; H598-T600 VanDerWaalsContact CE1-OG1 3.23Å; H598-T600 PolarHBondContact ND1-N 2.97Å; H598-T600 PolarHBondContact ND1-OG1 3.27Å; H598-T600 PolarHBondContact O-N 3.46Å; H598-L601 HydrophobicContact CB-CB 4.29Å; H598-L601 VanDerWaalsContact ND1-CB 3.34Å; H598-L601 WeakPolarHBondContact ND1-CB 3.23Å; H598-L601 WeakPolarHBondContact ND1-CG 3.35Å; H598-L601 PolarHBondContact ND1-N 3.46Å; H598-V603 HydrophobicContact CB-CB 4.14Å; H598-V603 WeakPolarHBondContact CB-O 3.25Å; H598-V603 PolarHBondContact N-O 3.47Å; H598-G643 WeakPolarHBondContact NE2-CA 3.4Å; H598-G643 PolarHBondContact NE2-O 2.79Å
599	P	92.4	Very high	92.7	Very high	41 Å²	41	31.3 Å²	31.3	27%	0.266	17%	0.168	S	C	.	.	S	Bend	trans	-67.3	-24.6	-171.6	25	-34.7	0	0	0	113.8	G549 V639	G549-P599 CarbonylContact C-O 3.52Å; P599-V639 HydrophobicContact CG-CG1 4.29Å
600	T	91.1	Very high	94.1	Very high	89 Å²	89	29.4 Å²	29.4	55%	0.546	16%	0.158	S	C	.	.	S	Bend	trans	-132.6	1.9	-170.8	57	0	0	0	0	115	H598	H598-T600 VanDerWaalsContact C-N 3.26Å; H598-T600 PolarHBondContact CE1-OG1 2.98Å; H598-T600 VanDerWaalsContact CE1-OG1 3.23Å; H598-T600 PolarHBondContact ND1-N 2.97Å; H598-T600 PolarHBondContact ND1-OG1 3.27Å; H598-T600 PolarHBondContact O-N 3.46Å
601	L	93.2	Very high	95	Very high	88 Å²	88	33.8 Å²	33.8	46%	0.461	17%	0.172	S	C	.	.	S	Bend	trans	-131.3	147.6	177.3	-61.1	173.7	0	0	0	109.2	C550 H598 V603	C550-L601 WeakPolarHBondContact SG-CA 3.33Å; C550-L601 PolarHBondContact SG-N 3.47Å; C550-L601 PolarHBondContact SG-O 2.91Å; C550-L601 VanDerWaalsContact SG-O 3.36Å; H598-L601 HydrophobicContact CB-CB 4.29Å; H598-L601 VanDerWaalsContact ND1-CB 3.34Å; H598-L601 WeakPolarHBondContact ND1-CB 3.23Å; H598-L601 WeakPolarHBondContact ND1-CG 3.35Å; H598-L601 PolarHBondContact ND1-N 3.46Å; L601-V603 HydrophobicContact CB-CG2 4.14Å; L601-V603 PolarHBondContact O-N 2.92Å
602	P	93.8	Very high	95.2	Very high	31 Å²	31	33.6 Å²	33.6	20%	0.201	17%	0.172	C	C	.	.	S	Bend	trans	-77.6	59	-179.1	34.9	-38.1	0	0	0	110.7	N618 K619	P602-N618 HydrophobicContact CB-CB 4.39Å; P602-N618 WeakPolarHBondContact O-CB 3.45Å; P602-N618 PolarHBondContact O-N 2.94Å; P602-K619 HydrophobicContact CB-CD 4.44Å; P602-K619 HydrophobicContact CB-CG 4.33Å; P602-K619 HydrophobicContact CG-CD 4.16Å; P602-K619 HydrophobicContact CG-CG 4.5Å
603	V	94.9	Very high	95.3	Very high	22 Å²	22	33.6 Å²	33.6	13%	0.133	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	125.7	-172.7	175.4	0	0	0	0	109.4	H598 L601 I605 F615 F616 I624	H598-V603 HydrophobicContact CB-CB 4.14Å; H598-V603 WeakPolarHBondContact CB-O 3.25Å; H598-V603 PolarHBondContact N-O 3.47Å; L601-V603 HydrophobicContact CB-CG2 4.14Å; L601-V603 PolarHBondContact O-N 2.92Å; V603-I605 HydrophobicContact CG1-CG1 4.27Å; V603-F615 HydrophobicContact CG1-CD1 4.29Å; V603-F616 VanDerWaalsContact CA-O 3.27Å; V603-F616 WeakPolarHBondContact CA-O 3.33Å; V603-I624 HydrophobicContact CG1-CD1 4.08Å; V603-I624 HydrophobicContact CG2-CD1 4Å
604	T	96.6	Very high	95.3	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	135.6	169.7	-76.6	0	0	0	0	109.8	V556 V564 L578 V595 T606 F615 F616 N618	V556-T604 HydrophobicContact CG1-CG2 3.82Å; V564-T604 HydrophobicContact CG1-CG2 4.32Å; L578-T604 HydrophobicContact CD1-CG2 4.16Å; V595-T604 HydrophobicContact CG2-CG2 3.44Å; V595-T604 VanDerWaalsContact CG2-CG2 3.44Å; T604-T606 HydrophobicContact CG2-CG2 4.28Å; T604-F615 WeakPolarHBondContact O-CA 3.48Å; T604-F616 PolarHBondContact N-O 3.49Å; T604-F616 PolarHBondContact O-N 3.46Å; T604-N618 VanDerWaalsContact CB-OD1 3.32Å; T604-N618 WeakPolarHBondContact CB-OD1 3.39Å; T604-N618 PolarHBondContact N-OD1 2.9Å; T604-N618 VanDerWaalsContact N-OD1 3.1Å; T604-N618 PolarHBondContact OG1-ND2 3.44Å; T604-N618 PolarHBondContact OG1-OD1 3Å
605	I	97.3	Very high	95.2	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	136.2	-179.4	-45.9	176.7	0	0	0	107.7	V595 V596 V603 I613 F615 L637 V639 L646 L660	V595-I605 WeakPolarHBondContact CA-O 3.24Å; V596-I605 HydrophobicContact CG2-CB 3.93Å; V596-I605 PolarHBondContact N-O 3.18Å; V596-I605 PolarHBondContact O-N 3.24Å; V603-I605 HydrophobicContact CG1-CG1 4.27Å; I605-I613 HydrophobicContact CG2-CG2 3.45Å; I605-I613 VanDerWaalsContact CG2-CG2 3.45Å; I605-F615 HydrophobicContact CB-CD1 4.44Å; I605-F615 HydrophobicContact CB-CE1 4.49Å; I605-F615 HydrophobicContact CD1-CD1 4.16Å; I605-F615 HydrophobicContact CD1-CE1 3.8Å; I605-F615 HydrophobicContact CG1-CD1 3.79Å; I605-F615 HydrophobicContact CG1-CE1 3.9Å; I605-F615 HydrophobicContact CG2-CD1 4.09Å; I605-F615 HydrophobicContact CG2-CE1 3.84Å; I605-F615 HydrophobicContact CG2-CZ 4.12Å; I605-L637 HydrophobicContact CG2-CD1 3.96Å; I605-V639 HydrophobicContact CD1-CG2 4.06Å; I605-L646 HydrophobicContact CD1-CD1 4.15Å; I605-L646 HydrophobicContact CG2-CD1 4.41Å; I605-L646 HydrophobicContact CG2-CD2 4.09Å; I605-L660 HydrophobicContact CD1-CD2 3.94Å
606	T	97.3	Very high	95.2	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	140.7	-175.9	48.3	0	0	0	0	111.3	V564 I592 K594 V595 T604 H608 I613 K614 F616	V564-T606 HydrophobicContact CG2-CG2 3.79Å; I592-T606 HydrophobicContact CD1-CG2 4.31Å; I592-T606 HydrophobicContact CG2-CG2 4.1Å; K594-T606 WeakPolarHBondContact O-CA 3.24Å; V595-T606 HydrophobicContact CB-CG2 4.25Å; V595-T606 HydrophobicContact CG2-CG2 3.83Å; T604-T606 HydrophobicContact CG2-CG2 4.28Å; T606-H608 WeakPolarHBondContact CB-NE2 3.29Å; T606-H608 PolarHBondContact O-CD2 3.05Å; T606-H608 PolarHBondContact OG1-NE2 3.25Å; T606-I613 VanDerWaalsContact O-CA 3.29Å; T606-I613 WeakPolarHBondContact O-CA 3.29Å; T606-K614 PolarHBondContact N-O 3.35Å; T606-K614 PolarHBondContact O-N 3.46Å; T606-K614 PolarHBondContact OG1-O 2.9Å; T606-F616 HydrophobicContact CG2-CE2 4.46Å
607	A	97.1	Very high	95	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	131.8	173	0	0	0	0	0	110.1	I592 N593 K594 V634 L637	I592-A607 CarbonylContact C-O 3.49Å; I592-A607 WeakPolarHBondContact CA-O 3.47Å; N593-A607 PolarHBondContact N-O 3.23Å; K594-A607 HydrophobicContact CB-CB 4.28Å; K594-A607 PolarHBondContact O-N 3.25Å; A607-V634 HydrophobicContact CB-CB 3.72Å; A607-V634 HydrophobicContact CB-CG1 3.49Å; A607-V634 VanDerWaalsContact CB-CG1 3.49Å; A607-L637 HydrophobicContact CB-CD1 3.68Å; A607-L637 HydrophobicContact CB-CD2 4.13Å; A607-L637 HydrophobicContact CB-CG 3.62Å
608	H	95.6	Very high	94.8	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	153.6	-170.2	-67.8	-109.2	0	0	0	112.4	H591 I592 T606 D610 R611 H612 K614 V634	H591-H608 WeakPolarHBondContact O-CA 3.23Å; I592-H608 VanDerWaalsContact CG1-CE1 3.42Å; I592-H608 WeakPolarHBondContact CG1-CE1 3.37Å; T606-H608 WeakPolarHBondContact CB-NE2 3.29Å; T606-H608 PolarHBondContact O-CD2 3.05Å; T606-H608 PolarHBondContact OG1-NE2 3.25Å; H608-D610 WeakPolarHBondContact CB-OD1 3.44Å; H608-D610 IonicContact CG-OD1 2.85Å; H608-D610 PolarHBondContact O-N 2.83Å; H608-R611 PolarHBondContact O-N 3.04Å; H608-H612 PolarHBondContact N-O 3.33Å; H608-K614 PolarHBondContact CE1-NZ 3.3Å; H608-K614 PolarHBondContact ND1-NZ 3.25Å; H608-V634 PolarHBondContact O-N 2.96Å; H608-V634 VanDerWaalsContact O-N 3.09Å
609	E	94.1	Very high	94.6	Very high	84 Å²	84	38.9 Å²	38.9	39%	0.393	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-30.8	172	-160.8	64.6	-168.8	0	0	111.9	H591 N593 R611 A633	H591-E609 HydrophobicContact CB-CB 4Å; H591-E609 PolarHBondContact O-N 2.99Å; N593-E609 PolarHBondContact ND2-OE2 3.34Å; E609-R611 PolarHBondContact O-N 3.1Å; E609-A633 VanDerWaalsContact CD-CB 3.45Å; E609-A633 HydrophobicContact CG-CB 4.34Å; E609-A633 VanDerWaalsContact OE2-CB 3.26Å; E609-A633 WeakPolarHBondContact OE2-CB 3.45Å
610	D	91.7	Very high	94.6	Very high	38 Å²	38	39.9 Å²	39.9	20%	0.203	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	15.1	171.7	73.7	10.7	0	0	0	115	L589 H608 H612 K614	L589-D610 WeakPolarHBondContact O-CB 3.45Å; H608-D610 WeakPolarHBondContact CB-OD1 3.44Å; H608-D610 IonicContact CG-OD1 2.85Å; H608-D610 PolarHBondContact O-N 2.83Å; D610-H612 PolarHBondContact O-N 2.94Å; D610-H612 PolarHBondContact O-ND1 2.85Å; D610-H612 WeakPolarHBondContact OD1-CB 3.45Å; D610-H612 IonicContact OD1-CG 3.76Å; D610-H612 PolarHBondContact OD1-N 3.5Å; D610-H612 IonicContact OD1-ND1 3.25Å; D610-H612 PolarHBondContact OD1-ND1 3.16Å; D610-H612 IonicContact OD2-ND1 3.8Å; D610-K614 IonicContact OD1-NZ 3.96Å; D610-K614 WeakPolarHBondContact OD2-CE 3.19Å; D610-K614 IonicContact OD2-NZ 2.76Å; D610-K614 PolarHBondContact OD2-NZ 2.91Å
611	R	94.8	Very high	94.5	Very high	125 Å²	125	36.3 Å²	36.3	47%	0.472	18%	0.181	S	C	.	.	S	Bend	trans	70.7	5.1	176.7	-37.8	175.7	-179.1	169.3	3	114.6	H608 E609 A629 H630 L631 D632 V634	H608-R611 PolarHBondContact O-N 3.04Å; E609-R611 PolarHBondContact O-N 3.1Å; R611-A629 PolarHBondContact O-N 2.85Å; R611-H630 PolarHBondContact O-N 3.43Å; R611-L631 VanDerWaalsContact CD-O 3.3Å; R611-L631 WeakPolarHBondContact CD-O 3.33Å; R611-L631 VanDerWaalsContact CZ-O 3.22Å; R611-L631 PolarHBondContact NE-O 2.95Å; R611-L631 PolarHBondContact NH1-O 3.1Å; R611-D632 WeakPolarHBondContact CG-O 3.46Å; R611-V634 WeakPolarHBondContact O-CG2 3.42Å
612	H	95.2	Very high	94.3	Very high	54 Å²	54	38.6 Å²	38.6	25%	0.25	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	156	179.6	-64.6	69.3	0	0	0	113.5	H608 D610 K614 M627 V628	H608-H612 PolarHBondContact N-O 3.33Å; D610-H612 PolarHBondContact O-N 2.94Å; D610-H612 PolarHBondContact O-ND1 2.85Å; D610-H612 WeakPolarHBondContact OD1-CB 3.45Å; D610-H612 IonicContact OD1-CG 3.76Å; D610-H612 PolarHBondContact OD1-N 3.5Å; D610-H612 IonicContact OD1-ND1 3.25Å; D610-H612 PolarHBondContact OD1-ND1 3.16Å; D610-H612 IonicContact OD2-ND1 3.8Å; H612-K614 HydrophobicContact CB-CG 4.1Å; H612-M627 CarbonylContact C-O 3.6Å; H612-M627 WeakPolarHBondContact CA-O 3.36Å; H612-M627 WeakPolarHBondContact CB-O 3.45Å; H612-M627 PolarHBondContact CD2-O 3.45Å; H612-V628 WeakPolarHBondContact NE2-CG2 3.17Å
613	I	96.9	Very high	94.3	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	122.9	156.2	-63.6	168.5	0	0	0	107.5	I605 T606 F615 A626 M627 A629 V634 L637 L646	I605-I613 HydrophobicContact CG2-CG2 3.45Å; I605-I613 VanDerWaalsContact CG2-CG2 3.45Å; T606-I613 VanDerWaalsContact O-CA 3.29Å; T606-I613 WeakPolarHBondContact O-CA 3.29Å; I613-F615 HydrophobicContact CB-CE2 4.37Å; I613-F615 HydrophobicContact CG2-CD2 4.28Å; I613-F615 HydrophobicContact CG2-CE2 3.61Å; I613-F615 HydrophobicContact CG2-CZ 3.86Å; I613-A626 WeakPolarHBondContact O-CA 3.33Å; I613-M627 HydrophobicContact CB-CG 4.03Å; I613-M627 HydrophobicContact CB-SD 4.46Å; I613-M627 PolarHBondContact N-O 3.18Å; I613-M627 PolarHBondContact O-N 3.38Å; I613-A629 HydrophobicContact CB-CB 4.25Å; I613-A629 HydrophobicContact CD1-CB 3.48Å; I613-A629 VanDerWaalsContact CD1-CB 3.48Å; I613-A629 HydrophobicContact CG1-CB 3.54Å; I613-V634 HydrophobicContact CG1-CG1 4.27Å; I613-V634 HydrophobicContact CG1-CG2 4.45Å; I613-L637 HydrophobicContact CD1-CD2 3.82Å; I613-L637 HydrophobicContact CG1-CD2 4.14Å; I613-L646 HydrophobicContact CD1-CD2 4.08Å; I613-L646 HydrophobicContact CG2-CD2 4.15Å
614	K	95.5	Very high	94.3	Very high	13 Å²	13	43.6 Å²	43.6	6%	0.057	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	135.1	-178.5	-53.5	-179.6	-164.6	148.5	0	109.9	N590 T606 H608 D610 H612 F616 M623 A626	N590-K614 PolarHBondContact OD1-NZ 2.87Å; T606-K614 PolarHBondContact N-O 3.35Å; T606-K614 PolarHBondContact O-N 3.46Å; T606-K614 PolarHBondContact OG1-O 2.9Å; H608-K614 PolarHBondContact CE1-NZ 3.3Å; H608-K614 PolarHBondContact ND1-NZ 3.25Å; D610-K614 IonicContact OD1-NZ 3.96Å; D610-K614 WeakPolarHBondContact OD2-CE 3.19Å; D610-K614 IonicContact OD2-NZ 2.76Å; D610-K614 PolarHBondContact OD2-NZ 2.91Å; H612-K614 HydrophobicContact CB-CG 4.1Å; K614-F616 HydrophobicContact CB-CE2 3.89Å; K614-F616 HydrophobicContact CB-CZ 4.34Å; K614-M623 HydrophobicContact CB-SD 4.13Å; K614-M623 HydrophobicContact CD-SD 4.14Å; K614-M623 HydrophobicContact CG-SD 4.29Å; K614-A626 HydrophobicContact CG-CB 4.05Å
615	F	96.1	Very high	94.2	Very high	11 Å²	11	46.7 Å²	46.7	5%	0.048	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	134	-174.5	-63	-104.6	0	0	0	109.7	V603 T604 I605 I613 M623 I624 H625 M627 L646 L660	V603-F615 HydrophobicContact CG1-CD1 4.29Å; T604-F615 WeakPolarHBondContact O-CA 3.48Å; I605-F615 HydrophobicContact CB-CD1 4.44Å; I605-F615 HydrophobicContact CB-CE1 4.49Å; I605-F615 HydrophobicContact CD1-CD1 4.16Å; I605-F615 HydrophobicContact CD1-CE1 3.8Å; I605-F615 HydrophobicContact CG1-CD1 3.79Å; I605-F615 HydrophobicContact CG1-CE1 3.9Å; I605-F615 HydrophobicContact CG2-CD1 4.09Å; I605-F615 HydrophobicContact CG2-CE1 3.84Å; I605-F615 HydrophobicContact CG2-CZ 4.12Å; I613-F615 HydrophobicContact CB-CE2 4.37Å; I613-F615 HydrophobicContact CG2-CD2 4.28Å; I613-F615 HydrophobicContact CG2-CE2 3.61Å; I613-F615 HydrophobicContact CG2-CZ 3.86Å; F615-M623 CarbonylContact O-C 3.59Å; F615-M623 WeakPolarHBondContact O-CA 3.5Å; F615-M623 WeakPolarHBondContact O-CG 3.36Å; F615-I624 HydrophobicContact CB-CD1 4.27Å; F615-I624 HydrophobicContact CB-CG1 3.76Å; F615-I624 WeakPolarHBondContact O-CG1 3.21Å; F615-I624 PolarHBondContact O-N 3.3Å; F615-H625 HydrophobicContact CB-CB 4.14Å; F615-H625 HydrophobicContact CD2-CB 4.08Å; F615-H625 AromaticContact CD2-CD2 3.86Å; F615-H625 AromaticContact CE2-CD2 3.95Å; F615-H625 HydrophobicContact CG-CB 4.33Å; F615-H625 PolarHBondContact N-O 3.31Å; F615-H625 PolarHBondContact O-N 2.95Å; F615-M627 HydrophobicContact CE2-CE 3.92Å; F615-M627 HydrophobicContact CE2-CG 4.28Å; F615-M627 HydrophobicContact CE2-SD 4.24Å; F615-M627 HydrophobicContact CZ-CE 4.24Å; F615-L646 HydrophobicContact CZ-CD2 4.33Å; F615-L660 HydrophobicContact CE1-CD2 3.67Å; F615-L660 HydrophobicContact CZ-CD2 4.21Å
616	F	95.5	Very high	94	Very high	1 Å²	1	48.6 Å²	48.6	0%	0.004	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	143.6	-178.4	-62.6	-94.9	0	0	0	111	L578 V603 T604 T606 K614 N618 K622 M623	L578-F616 HydrophobicContact CB-CB 4.44Å; L578-F616 HydrophobicContact CB-CD1 3.87Å; L578-F616 HydrophobicContact CB-CE1 4.34Å; L578-F616 HydrophobicContact CB-CG 4.17Å; L578-F616 HydrophobicContact CD1-CB 3.79Å; L578-F616 HydrophobicContact CD1-CG 4.19Å; V603-F616 VanDerWaalsContact CA-O 3.27Å; V603-F616 WeakPolarHBondContact CA-O 3.33Å; T604-F616 PolarHBondContact N-O 3.49Å; T604-F616 PolarHBondContact O-N 3.46Å; T606-F616 HydrophobicContact CG2-CE2 4.46Å; K614-F616 HydrophobicContact CB-CE2 3.89Å; K614-F616 HydrophobicContact CB-CZ 4.34Å; F616-N618 PolarHBondContact O-OD1 3.44Å; F616-K622 WeakPolarHBondContact CA-O 3.47Å; F616-M623 HydrophobicContact CD1-CB 3.91Å; F616-M623 HydrophobicContact CE1-CB 3.73Å; F616-M623 HydrophobicContact CE1-CG 4.2Å; F616-M623 HydrophobicContact CZ-CB 4.39Å; F616-M623 HydrophobicContact CZ-CG 4.39Å; F616-M623 HydrophobicContact CZ-SD 4.47Å
617	D	94	Very high	93.9	Very high	32 Å²	32	49.6 Å²	49.6	17%	0.171	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	121.4	168.9	160.1	44.6	0	0	0	110.4	K619 S620 G621 K622 I624	D617-K619 PolarHBondContact O-N 3.22Å; D617-K619 VanDerWaalsContact O-N 3.15Å; D617-K619 WeakPolarHBondContact OD1-CB 3.47Å; D617-K619 PolarHBondContact OD1-N 2.99Å; D617-S620 PolarHBondContact O-N 2.86Å; D617-S620 WeakPolarHBondContact OD2-CB 3.33Å; D617-S620 PolarHBondContact OD2-N 3.06Å; D617-S620 PolarHBondContact OD2-OG 3.48Å; D617-G621 WeakPolarHBondContact O-CA 3.2Å; D617-G621 PolarHBondContact O-N 3.03Å; D617-K622 PolarHBondContact N-O 3.42Å; D617-I624 HydrophobicContact CB-CG2 3.6Å
618	N	92.7	Very high	93.8	Very high	17 Å²	17	54.2 Å²	54.2	9%	0.091	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-4.4	-174.5	-62.9	6	0	0	0	112.7	I566 L576 P602 T604 F616	I566-N618 HydrophobicContact CD1-CB 3.6Å; L576-N618 WeakPolarHBondContact CD2-O 3.44Å; P602-N618 HydrophobicContact CB-CB 4.39Å; P602-N618 WeakPolarHBondContact O-CB 3.45Å; P602-N618 PolarHBondContact O-N 2.94Å; T604-N618 VanDerWaalsContact CB-OD1 3.32Å; T604-N618 WeakPolarHBondContact CB-OD1 3.39Å; T604-N618 PolarHBondContact N-OD1 2.9Å; T604-N618 VanDerWaalsContact N-OD1 3.1Å; T604-N618 PolarHBondContact OG1-ND2 3.44Å; T604-N618 PolarHBondContact OG1-OD1 3Å; F616-N618 PolarHBondContact O-OD1 3.44Å
619	K	91.4	Very high	93.8	Very high	170 Å²	170	54.1 Å²	54.1	74%	0.739	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	-40.2	175.4	-64.9	177.2	176.6	174.7	0	113.5	P602 D617	P602-K619 HydrophobicContact CB-CD 4.44Å; P602-K619 HydrophobicContact CB-CG 4.33Å; P602-K619 HydrophobicContact CG-CD 4.16Å; P602-K619 HydrophobicContact CG-CG 4.5Å; D617-K619 PolarHBondContact O-N 3.22Å; D617-K619 VanDerWaalsContact O-N 3.15Å; D617-K619 WeakPolarHBondContact OD1-CB 3.47Å; D617-K619 PolarHBondContact OD1-N 2.99Å
620	S	91	Very high	93.9	Very high	62 Å²	62	50.3 Å²	50.3	43%	0.434	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-13.7	179.3	66.6	0	0	0	0	114.4	D617 K622	D617-S620 PolarHBondContact O-N 2.86Å; D617-S620 WeakPolarHBondContact OD2-CB 3.33Å; D617-S620 PolarHBondContact OD2-N 3.06Å; D617-S620 PolarHBondContact OD2-OG 3.48Å; S620-K622 PolarHBondContact O-N 3.45Å
621	G	88.9	Confident	94.1	Very high	14 Å²	14	54.5 Å²	54.5	14%	0.144	28%	0.276	C	S	.	.			trans	75.1	8	-177.8	0	0	0	0	0	114.5	D617	D617-G621 WeakPolarHBondContact O-CA 3.2Å; D617-G621 PolarHBondContact O-N 3.03Å
622	K	91	Very high	94.2	Very high	136 Å²	136	50.5 Å²	50.5	59%	0.591	26%	0.264	S	S	*	.			trans	-99.7	146.6	-172.8	-63.9	-175.5	179.4	-175.2	0	112	F616 D617 S620 I624	F616-K622 WeakPolarHBondContact CA-O 3.47Å; D617-K622 PolarHBondContact N-O 3.42Å; S620-K622 PolarHBondContact O-N 3.45Å; K622-I624 PolarHBondContact O-N 2.91Å
623	M	93.4	Very high	94.2	Very high	62 Å²	62	48 Å²	48	31%	0.305	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	121.3	164.6	-170	169.8	65.5	0	0	108.8	K614 F615 F616 A626	K614-M623 HydrophobicContact CB-SD 4.13Å; K614-M623 HydrophobicContact CD-SD 4.14Å; K614-M623 HydrophobicContact CG-SD 4.29Å; F615-M623 CarbonylContact O-C 3.59Å; F615-M623 WeakPolarHBondContact O-CA 3.5Å; F615-M623 WeakPolarHBondContact O-CG 3.36Å; F616-M623 HydrophobicContact CD1-CB 3.91Å; F616-M623 HydrophobicContact CE1-CB 3.73Å; F616-M623 HydrophobicContact CE1-CG 4.2Å; F616-M623 HydrophobicContact CZ-CB 4.39Å; F616-M623 HydrophobicContact CZ-CG 4.39Å; F616-M623 HydrophobicContact CZ-SD 4.47Å; M623-A626 HydrophobicContact CE-CB 4.48Å; M623-A626 HydrophobicContact SD-CB 4.04Å
624	I	94.1	Very high	94.3	Very high	95 Å²	95	48 Å²	48	49%	0.487	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	-25	179.6	57.5	171.6	0	0	0	112.4	V603 F615 D617 K622	V603-I624 HydrophobicContact CG1-CD1 4.08Å; V603-I624 HydrophobicContact CG2-CD1 4Å; F615-I624 HydrophobicContact CB-CD1 4.27Å; F615-I624 HydrophobicContact CB-CG1 3.76Å; F615-I624 WeakPolarHBondContact O-CG1 3.21Å; F615-I624 PolarHBondContact O-N 3.3Å; D617-I624 HydrophobicContact CB-CG2 3.6Å; K622-I624 PolarHBondContact O-N 2.91Å
625	H	93.8	Very high	94.3	Very high	66 Å²	66	48 Å²	48	31%	0.306	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	154.1	178.3	-171.6	60.8	0	0	0	111	F615	F615-H625 HydrophobicContact CB-CB 4.14Å; F615-H625 HydrophobicContact CD2-CB 4.08Å; F615-H625 AromaticContact CD2-CD2 3.86Å; F615-H625 AromaticContact CE2-CD2 3.95Å; F615-H625 HydrophobicContact CG-CB 4.33Å; F615-H625 PolarHBondContact N-O 3.31Å; F615-H625 PolarHBondContact O-N 2.95Å
626	A	93.8	Very high	94.4	Very high	40 Å²	40	47.5 Å²	47.5	33%	0.331	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	145.3	168.4	0	0	0	0	0	108.9	I613 K614 M623	I613-A626 WeakPolarHBondContact O-CA 3.33Å; K614-A626 HydrophobicContact CG-CB 4.05Å; M623-A626 HydrophobicContact CE-CB 4.48Å; M623-A626 HydrophobicContact SD-CB 4.04Å
627	M	94.8	Very high	94.5	Very high	20 Å²	20	47.6 Å²	47.6	10%	0.099	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	140.7	178.5	56.5	174.5	60.7	0	0	110.4	H612 I613 F615 A629 W658 K663	H612-M627 CarbonylContact C-O 3.6Å; H612-M627 WeakPolarHBondContact CA-O 3.36Å; H612-M627 WeakPolarHBondContact CB-O 3.45Å; H612-M627 PolarHBondContact CD2-O 3.45Å; I613-M627 HydrophobicContact CB-CG 4.03Å; I613-M627 HydrophobicContact CB-SD 4.46Å; I613-M627 PolarHBondContact N-O 3.18Å; I613-M627 PolarHBondContact O-N 3.38Å; F615-M627 HydrophobicContact CE2-CE 3.92Å; F615-M627 HydrophobicContact CE2-CG 4.28Å; F615-M627 HydrophobicContact CE2-SD 4.24Å; F615-M627 HydrophobicContact CZ-CE 4.24Å; M627-A629 PolarHBondContact O-N 3.46Å; M627-W658 HydrophobicContact CE-CE3 4.25Å; M627-W658 HydrophobicContact SD-CD2 4.05Å; M627-W658 HydrophobicContact SD-CE3 3.58Å; M627-W658 VanDerWaalsContact SD-CE3 3.58Å; M627-W658 HydrophobicContact SD-CH2 4.17Å; M627-W658 HydrophobicContact SD-CZ3 3.64Å; M627-K663 HydrophobicContact CE-CB 3.62Å; M627-K663 HydrophobicContact CE-CG 4.15Å; M627-K663 WeakPolarHBondContact CE-O 3.27Å
628	V	95.4	Very high	94.7	Very high	97 Å²	97	46.6 Å²	46.6	59%	0.588	25%	0.248	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-69.2	111.2	163.8	-179.8	0	0	0	0	106.8	H612	H612-V628 WeakPolarHBondContact NE2-CG2 3.17Å
629	A	95.4	Very high	94.9	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.251	C	S	.	.			trans	-96	-35.4	-170.9	0	0	0	0	0	112.7	R611 I613 M627 V634 R656 W658	R611-A629 PolarHBondContact O-N 2.85Å; I613-A629 HydrophobicContact CB-CB 4.25Å; I613-A629 HydrophobicContact CD1-CB 3.48Å; I613-A629 VanDerWaalsContact CD1-CB 3.48Å; I613-A629 HydrophobicContact CG1-CB 3.54Å; M627-A629 PolarHBondContact O-N 3.46Å; A629-V634 HydrophobicContact CB-CG2 4.09Å; A629-R656 WeakPolarHBondContact O-CD 3.47Å; A629-R656 PolarHBondContact O-NH1 2.88Å; A629-W658 HydrophobicContact CB-CH2 4.3Å; A629-W658 HydrophobicContact CB-CZ2 3.82Å; A629-W658 WeakPolarHBondContact O-CZ2 3.45Å
630	H	97.3	Very high	95	Very high	3 Å²	3	40 Å²	40	1%	0.014	22%	0.222	C	C	.	.			trans	-139	171.5	-170.4	-82.2	-87.4	0	0	0	112.6	R611 D632 V634 S648 S650 D652 S654	R611-H630 PolarHBondContact O-N 3.43Å; H630-D632 WeakPolarHBondContact CB-O 3.47Å; H630-V634 HydrophobicContact CB-CG2 4.21Å; H630-S648 PolarHBondContact NE2-OG 2.9Å; H630-S650 WeakPolarHBondContact ND1-CB 3.42Å; H630-D652 VanDerWaalsContact CB-OD2 3.29Å; H630-D652 WeakPolarHBondContact CB-OD2 3.24Å; H630-D652 IonicContact CE1-OD1 3.99Å; H630-D652 IonicContact CG-OD2 2.67Å; H630-D652 VanDerWaalsContact ND1-CG 3.35Å; H630-D652 IonicContact ND1-OD1 3.83Å; H630-D652 PolarHBondContact ND1-OD1 3.21Å; H630-D652 VanDerWaalsContact ND1-OD1 3.14Å; H630-D652 IonicContact ND1-OD2 3.26Å; H630-D652 PolarHBondContact ND1-OD2 2.89Å; H630-S654 PolarHBondContact CE1-O 2.9Å; H630-S654 PolarHBondContact CE1-OG 3.42Å; H630-S654 VanDerWaalsContact CE1-OG 3.22Å; H630-S654 PolarHBondContact ND1-OG 2.93Å
631	L	96	Very high	95.1	Very high	126 Å²	126	39.7 Å²	39.7	66%	0.66	22%	0.218	S	C	*	.	S	Bend	trans	-86.1	-17	175.4	-63.6	179.5	0	0	0	113.1	R611 D652	R611-L631 VanDerWaalsContact CD-O 3.3Å; R611-L631 WeakPolarHBondContact CD-O 3.33Å; R611-L631 VanDerWaalsContact CZ-O 3.22Å; R611-L631 PolarHBondContact NE-O 2.95Å; R611-L631 PolarHBondContact NH1-O 3.1Å; L631-D652 HydrophobicContact CB-CB 4.01Å; L631-D652 PolarHBondContact N-OD2 2.75Å
632	D	95.8	Very high	95.2	Very high	41 Å²	41	44.2 Å²	44.2	22%	0.219	24%	0.239	C	C	.	.	S	Bend	trans	-135.2	178.8	177.4	-151.1	-14.7	0	0	0	109	R611 H630 S650 H651 D652 K674	R611-D632 WeakPolarHBondContact CG-O 3.46Å; H630-D632 WeakPolarHBondContact CB-O 3.47Å; D632-S650 PolarHBondContact O-OG 3.24Å; D632-S650 VanDerWaalsContact O-OG 3.13Å; D632-H651 HydrophobicContact CB-CB 4.1Å; D632-D652 HydrophobicContact CB-CB 3.78Å; D632-K674 IonicContact OD2-NZ 3.91Å; D632-K674 PolarHBondContact OD2-NZ 3.41Å
633	A	95.8	Very high	95.2	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.008	22%	0.215	C	C	.	.			trans	-50.6	140.4	-177.2	0	0	0	0	0	113.3	E609 S650 H651	E609-A633 VanDerWaalsContact CD-CB 3.45Å; E609-A633 HydrophobicContact CG-CB 4.34Å; E609-A633 VanDerWaalsContact OE2-CB 3.26Å; E609-A633 WeakPolarHBondContact OE2-CB 3.45Å; A633-S650 VanDerWaalsContact O-CA 3.23Å; A633-S650 WeakPolarHBondContact O-CA 3.43Å; A633-S650 VanDerWaalsContact O-CB 3.23Å; A633-S650 WeakPolarHBondContact O-CB 3.46Å; A633-S650 PolarHBondContact O-OG 2.98Å; A633-H651 PolarHBondContact O-N 2.93Å
634	V	97.8	Very high	95.2	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	117.9	174.6	-166.2	0	0	0	0	107.8	N593 A607 H608 R611 I613 A629 H630 L637 G649	N593-V634 WeakPolarHBondContact CB-O 3.5Å; N593-V634 PolarHBondContact ND2-O 3.27Å; A607-V634 HydrophobicContact CB-CB 3.72Å; A607-V634 HydrophobicContact CB-CG1 3.49Å; A607-V634 VanDerWaalsContact CB-CG1 3.49Å; H608-V634 PolarHBondContact O-N 2.96Å; H608-V634 VanDerWaalsContact O-N 3.09Å; R611-V634 WeakPolarHBondContact O-CG2 3.42Å; I613-V634 HydrophobicContact CG1-CG1 4.27Å; I613-V634 HydrophobicContact CG1-CG2 4.45Å; A629-V634 HydrophobicContact CB-CG2 4.09Å; H630-V634 HydrophobicContact CB-CG2 4.21Å; V634-L637 HydrophobicContact CG1-CD2 4.28Å; V634-G649 WeakPolarHBondContact CG1-O 3.34Å
635	T	97.2	Very high	95.3	Very high	14 Å²	14	38 Å²	38	9%	0.086	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	-31.8	-170.5	62	0	0	0	0	112.7	G649 H651 I680	T635-G649 PolarHBondContact N-O 3.45Å; T635-G649 PolarHBondContact OG1-O 2.97Å; T635-H651 VanDerWaalsContact CG2-CE1 3.4Å; T635-H651 WeakPolarHBondContact CG2-CE1 3.39Å; T635-H651 WeakPolarHBondContact CG2-NE2 3.46Å; T635-I680 VanDerWaalsContact CB-O 3.31Å; T635-I680 WeakPolarHBondContact CB-O 3.36Å; T635-I680 WeakPolarHBondContact CG2-O 3.42Å; T635-I680 PolarHBondContact OG1-O 3.09Å
636	S	97.4	Very high	95.4	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	145.9	-163.6	49.9	0	0	0	0	111.9	S648 G649 Y681	S636-S648 WeakPolarHBondContact O-CA 3.38Å; S636-G649 PolarHBondContact N-O 3.37Å; S636-G649 PolarHBondContact O-N 3.31Å; S636-Y681 WeakPolarHBondContact CB-O 3.23Å
637	L	98.4	Very high	95.6	Very high	3 Å²	3	33.3 Å²	33.3	2%	0.016	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	145.9	179.7	-64.7	178.3	0	0	0	110	K594 V596 I605 A607 I613 V634 L646 I647	K594-L637 HydrophobicContact CG-CB 4.4Å; V596-L637 HydrophobicContact CG1-CB 4.06Å; V596-L637 WeakPolarHBondContact CG1-O 3.43Å; V596-L637 HydrophobicContact CG2-CB 3.86Å; V596-L637 HydrophobicContact CG2-CD1 4.08Å; I605-L637 HydrophobicContact CG2-CD1 3.96Å; A607-L637 HydrophobicContact CB-CD1 3.68Å; A607-L637 HydrophobicContact CB-CD2 4.13Å; A607-L637 HydrophobicContact CB-CG 3.62Å; I613-L637 HydrophobicContact CD1-CD2 3.82Å; I613-L637 HydrophobicContact CG1-CD2 4.14Å; V634-L637 HydrophobicContact CG1-CD2 4.28Å; L637-L646 HydrophobicContact CB-CD1 4.33Å; L637-L646 HydrophobicContact CD2-CD1 4.26Å; L637-L646 HydrophobicContact CD2-CD2 4.33Å; L637-L646 HydrophobicContact CD2-CG 4.43Å; L637-I647 WeakPolarHBondContact CA-O 3.3Å
638	A	97.7	Very high	95.8	Very high	12 Å²	12	32.3 Å²	32.3	10%	0.099	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	143.5	160.5	0	0	0	0	0	110.5	I647 V683 F685	A638-I647 HydrophobicContact CB-CG2 3.99Å; A638-I647 PolarHBondContact N-O 3.46Å; A638-I647 PolarHBondContact O-N 2.95Å; A638-V683 HydrophobicContact CB-CG2 4.27Å; A638-V683 WeakPolarHBondContact CB-O 3.18Å; A638-F685 HydrophobicContact CB-CD2 4.03Å; A638-F685 WeakPolarHBondContact O-CE2 3.42Å
639	V	96.8	Very high	96	Very high	24 Å²	24	27.7 Å²	27.7	15%	0.145	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	141	175.5	-171.5	0	0	0	0	109.1	V596 P599 I605 L646 L660 F685	V596-V639 HydrophobicContact CB-CG2 4.27Å; V596-V639 HydrophobicContact CG2-CG2 3.7Å; P599-V639 HydrophobicContact CG-CG1 4.29Å; I605-V639 HydrophobicContact CD1-CG2 4.06Å; V639-L646 HydrophobicContact CG2-CD1 3.84Å; V639-L660 HydrophobicContact CG1-CD1 3.87Å; V639-F685 VanDerWaalsContact C-CD2 3.49Å
640	D	94.1	Very high	96.1	Very high	23 Å²	23	27.7 Å²	27.7	12%	0.123	15%	0.149	C	C	.	.			trans	-61.7	140.8	171.3	172.1	86.4	0	0	0	110.2	N642 G643 Y645 F685	D640-N642 PolarHBondContact O-N 2.98Å; D640-N642 WeakPolarHBondContact OD2-CA 3.45Å; D640-N642 WeakPolarHBondContact OD2-CB 3.29Å; D640-N642 PolarHBondContact OD2-N 3.4Å; D640-N642 PolarHBondContact OD2-ND2 2.73Å; D640-G643 PolarHBondContact O-N 2.8Å; D640-Y645 WeakPolarHBondContact CB-O 3.31Å; D640-Y645 PolarHBondContact N-O 2.99Å; D640-F685 HydrophobicContact CB-CD1 4.19Å; D640-F685 HydrophobicContact CB-CD2 4.4Å; D640-F685 HydrophobicContact CB-CE1 3.96Å; D640-F685 HydrophobicContact CB-CE2 4.17Å; D640-F685 HydrophobicContact CB-CG 4.42Å; D640-F685 HydrophobicContact CB-CZ 3.95Å
641	P	91.3	Very high	96.1	Very high	56 Å²	56	29 Å²	29	36%	0.364	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-20.7	-177.8	-28.3	34.9	0	0	0	115.9
642	N	91.1	Very high	96.1	Very high	110 Å²	110	24.7 Å²	24.7	59%	0.588	13%	0.132	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91	-8.8	177.3	-46	-89.7	0	0	0	112.9	D640 I644	D640-N642 PolarHBondContact O-N 2.98Å; D640-N642 WeakPolarHBondContact OD2-CA 3.45Å; D640-N642 WeakPolarHBondContact OD2-CB 3.29Å; D640-N642 PolarHBondContact OD2-N 3.4Å; D640-N642 PolarHBondContact OD2-ND2 2.73Å; N642-I644 HydrophobicContact CB-CD1 4.04Å; N642-I644 HydrophobicContact CB-CG1 4.1Å
643	G	92.2	Very high	96.2	Very high	7 Å²	7	23.7 Å²	23.7	7%	0.072	13%	0.128	C	C	.	.	S	Bend	trans	80.1	8.6	-176.1	0	0	0	0	0	115.3	H598 D640 L660	H598-G643 WeakPolarHBondContact NE2-CA 3.4Å; H598-G643 PolarHBondContact NE2-O 2.79Å; D640-G643 PolarHBondContact O-N 2.8Å; G643-L660 VanDerWaalsContact O-CD1 3.28Å; G643-L660 WeakPolarHBondContact O-CD1 3.5Å
644	I	93.3	Very high	96.3	Very high	72 Å²	72	23.8 Å²	23.8	37%	0.369	13%	0.129	S	C	.	.	S	Bend	trans	-85.6	-32.3	-172.4	-57.7	172.7	0	0	0	111.9	N642 L660	N642-I644 HydrophobicContact CB-CD1 4.04Å; N642-I644 HydrophobicContact CB-CG1 4.1Å; I644-L660 PolarHBondContact O-N 2.9Å
645	Y	95.4	Very high	96.3	Very high	84 Å²	84	23.9 Å²	23.9	33%	0.329	13%	0.129	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	152.6	-176	-60.7	-80.9	0	0	0	112.5	D640 L657 W658 N659	D640-Y645 WeakPolarHBondContact CB-O 3.31Å; D640-Y645 PolarHBondContact N-O 2.99Å; Y645-L657 HydrophobicContact CD1-CD1 4.45Å; Y645-L657 HydrophobicContact CD1-CD2 4.39Å; Y645-L657 HydrophobicContact CD1-CG 4.28Å; Y645-L657 HydrophobicContact CG-CD1 4.47Å; Y645-W658 VanDerWaalsContact CA-O 3.25Å; Y645-W658 WeakPolarHBondContact CA-O 3.48Å; Y645-N659 HydrophobicContact CD1-CB 4.45Å; Y645-N659 HydrophobicContact CE1-CB 4.36Å
646	L	97.4	Very high	96.3	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	136.4	169.3	175.1	79	0	0	0	107.5	V596 I605 I613 F615 L637 V639 W658 L660	V596-L646 HydrophobicContact CG2-CD1 4.33Å; I605-L646 HydrophobicContact CD1-CD1 4.15Å; I605-L646 HydrophobicContact CG2-CD1 4.41Å; I605-L646 HydrophobicContact CG2-CD2 4.09Å; I613-L646 HydrophobicContact CD1-CD2 4.08Å; I613-L646 HydrophobicContact CG2-CD2 4.15Å; F615-L646 HydrophobicContact CZ-CD2 4.33Å; L637-L646 HydrophobicContact CB-CD1 4.33Å; L637-L646 HydrophobicContact CD2-CD1 4.26Å; L637-L646 HydrophobicContact CD2-CD2 4.33Å; L637-L646 HydrophobicContact CD2-CG 4.43Å; V639-L646 HydrophobicContact CG2-CD1 3.84Å; L646-W658 HydrophobicContact CB-CB 4.33Å; L646-W658 PolarHBondContact N-O 2.8Å; L646-W658 PolarHBondContact O-N 2.91Å; L646-L660 HydrophobicContact CB-CD1 4.12Å; L646-L660 HydrophobicContact CB-CD2 3.88Å; L646-L660 HydrophobicContact CB-CG 3.97Å; L646-L660 HydrophobicContact CD2-CD2 4.38Å
647	I	97.9	Very high	96.3	Very high	6 Å²	6	25.5 Å²	25.5	3%	0.031	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	138.2	165.7	-170.7	169.3	0	0	0	109.5	L637 A638 L655 R656 L657 V683 F685 I692	L637-I647 WeakPolarHBondContact CA-O 3.3Å; A638-I647 HydrophobicContact CB-CG2 3.99Å; A638-I647 PolarHBondContact N-O 3.46Å; A638-I647 PolarHBondContact O-N 2.95Å; I647-L655 HydrophobicContact CD1-CB 4.26Å; I647-L655 HydrophobicContact CD1-CD1 4.4Å; I647-L655 HydrophobicContact CD1-CD2 4.31Å; I647-R656 WeakPolarHBondContact CA-O 3.46Å; I647-L657 HydrophobicContact CB-CD1 4.33Å; I647-V683 HydrophobicContact CG2-CB 4.06Å; I647-V683 HydrophobicContact CG2-CG2 3.86Å; I647-F685 HydrophobicContact CB-CE2 3.97Å; I647-F685 HydrophobicContact CB-CZ 4.26Å; I647-F685 HydrophobicContact CG2-CD2 3.96Å; I647-F685 HydrophobicContact CG2-CE2 3.53Å; I647-F685 HydrophobicContact CG2-CZ 4.22Å; I647-I692 HydrophobicContact CD1-CD1 4.22Å; I647-I692 HydrophobicContact CD1-CG2 3.54Å
648	S	98.4	Very high	96.2	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	144.5	172.5	58.3	0	0	0	0	111.6	H630 S636 L655 R656 W658	H630-S648 PolarHBondContact NE2-OG 2.9Å; S636-S648 WeakPolarHBondContact O-CA 3.38Å; S648-L655 WeakPolarHBondContact O-CA 3.21Å; S648-R656 PolarHBondContact N-O 2.7Å; S648-R656 PolarHBondContact O-N 3.45Å; S648-R656 PolarHBondContact OG-O 3.28Å; S648-W658 PolarHBondContact OG-NE1 3.45Å
649	G	98.3	Very high	96.1	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	152.8	169.3	0	0	0	0	0	111.3	V634 T635 S636	V634-G649 WeakPolarHBondContact CG1-O 3.34Å; T635-G649 PolarHBondContact N-O 3.45Å; T635-G649 PolarHBondContact OG1-O 2.97Å; S636-G649 PolarHBondContact N-O 3.37Å; S636-G649 PolarHBondContact O-N 3.31Å
650	S	98.1	Very high	95.9	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	162.3	-173.6	173.7	0	0	0	0	113.2	H630 D632 A633 D652 C653 S654	H630-S650 WeakPolarHBondContact ND1-CB 3.42Å; D632-S650 PolarHBondContact O-OG 3.24Å; D632-S650 VanDerWaalsContact O-OG 3.13Å; A633-S650 VanDerWaalsContact O-CA 3.23Å; A633-S650 WeakPolarHBondContact O-CA 3.43Å; A633-S650 VanDerWaalsContact O-CB 3.23Å; A633-S650 WeakPolarHBondContact O-CB 3.46Å; A633-S650 PolarHBondContact O-OG 2.98Å; S650-D652 WeakPolarHBondContact CB-OD1 3.35Å; S650-D652 PolarHBondContact O-N 3.01Å; S650-D652 PolarHBondContact OG-N 3.18Å; S650-C653 PolarHBondContact O-N 3.3Å; S650-S654 PolarHBondContact N-O 3.35Å
651	H	97.6	Very high	95.8	Very high	30 Å²	30	31.2 Å²	31.2	14%	0.139	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-12.4	165.8	-67.7	-37.7	0	0	0	113.8	D632 A633 T635 C653 K674 E678 A679	D632-H651 HydrophobicContact CB-CB 4.1Å; A633-H651 PolarHBondContact O-N 2.93Å; T635-H651 VanDerWaalsContact CG2-CE1 3.4Å; T635-H651 WeakPolarHBondContact CG2-CE1 3.39Å; T635-H651 WeakPolarHBondContact CG2-NE2 3.46Å; H651-C653 PolarHBondContact O-N 3.47Å; H651-K674 WeakPolarHBondContact O-CE 3.37Å; H651-E678 WeakPolarHBondContact ND1-CA 3.41Å; H651-A679 PolarHBondContact ND1-N 3.11Å
652	D	96.9	Very high	95.9	Very high	35 Å²	35	31.7 Å²	31.7	19%	0.187	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	7.4	170.7	76.5	11.8	0	0	0	114.2	H630 L631 D632 S650 S654	H630-D652 VanDerWaalsContact CB-OD2 3.29Å; H630-D652 WeakPolarHBondContact CB-OD2 3.24Å; H630-D652 IonicContact CE1-OD1 3.99Å; H630-D652 IonicContact CG-OD2 2.67Å; H630-D652 VanDerWaalsContact ND1-CG 3.35Å; H630-D652 IonicContact ND1-OD1 3.83Å; H630-D652 PolarHBondContact ND1-OD1 3.21Å; H630-D652 VanDerWaalsContact ND1-OD1 3.14Å; H630-D652 IonicContact ND1-OD2 3.26Å; H630-D652 PolarHBondContact ND1-OD2 2.89Å; L631-D652 HydrophobicContact CB-CB 4.01Å; L631-D652 PolarHBondContact N-OD2 2.75Å; D632-D652 HydrophobicContact CB-CB 3.78Å; S650-D652 WeakPolarHBondContact CB-OD1 3.35Å; S650-D652 PolarHBondContact O-N 3.01Å; S650-D652 PolarHBondContact OG-N 3.18Å; D652-S654 PolarHBondContact O-N 3.21Å; D652-S654 WeakPolarHBondContact OD1-CA 3.39Å; D652-S654 VanDerWaalsContact OD1-CB 3.24Å; D652-S654 WeakPolarHBondContact OD1-CB 3.42Å; D652-S654 PolarHBondContact OD1-N 2.72Å; D652-S654 PolarHBondContact OD1-OG 3.5Å; D652-S654 PolarHBondContact OD2-OG 3.45Å
653	C	97.1	Very high	96	Very high	20 Å²	20	30.5 Å²	30.5	14%	0.135	16%	0.156	C	C	.	.	S	Bend	trans	65.3	4.4	-178.5	-58.3	0	0	0	0	115.2	S650 H651 A671 H672 K674 A679	S650-C653 PolarHBondContact O-N 3.3Å; H651-C653 PolarHBondContact O-N 3.47Å; C653-A671 PolarHBondContact O-N 2.88Å; C653-H672 WeakPolarHBondContact CB-O 3.42Å; C653-K674 PolarHBondContact SG-N 3.01Å; C653-K674 VanDerWaalsContact SG-N 3.38Å; C653-A679 VanDerWaalsContact SG-CB 3.57Å
654	S	97.1	Very high	96	Very high	3 Å²	3	33.6 Å²	33.6	2%	0.021	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	148.9	178.8	80.9	0	0	0	0	113.5	H630 S650 D652 I669 I680	H630-S654 PolarHBondContact CE1-O 2.9Å; H630-S654 PolarHBondContact CE1-OG 3.42Å; H630-S654 VanDerWaalsContact CE1-OG 3.22Å; H630-S654 PolarHBondContact ND1-OG 2.93Å; S650-S654 PolarHBondContact N-O 3.35Å; D652-S654 PolarHBondContact O-N 3.21Å; D652-S654 WeakPolarHBondContact OD1-CA 3.39Å; D652-S654 VanDerWaalsContact OD1-CB 3.24Å; D652-S654 WeakPolarHBondContact OD1-CB 3.42Å; D652-S654 PolarHBondContact OD1-N 2.72Å; D652-S654 PolarHBondContact OD1-OG 3.5Å; D652-S654 PolarHBondContact OD2-OG 3.45Å; S654-I669 CarbonylContact C-O 3.45Å; S654-I669 WeakPolarHBondContact CA-O 3.36Å; S654-I680 VanDerWaalsContact O-CD1 3.3Å; S654-I680 WeakPolarHBondContact O-CD1 3.41Å
655	L	98.1	Very high	96.1	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.01	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	136.9	159.2	-61.5	169.9	0	0	0	108.4	I647 S648 E668 I669 A671 I680 V683 Y704	I647-L655 HydrophobicContact CD1-CB 4.26Å; I647-L655 HydrophobicContact CD1-CD1 4.4Å; I647-L655 HydrophobicContact CD1-CD2 4.31Å; S648-L655 WeakPolarHBondContact O-CA 3.21Å; L655-E668 CarbonylContact O-C 3.53Å; L655-E668 WeakPolarHBondContact O-CA 3.49Å; L655-I669 HydrophobicContact CB-CB 4.38Å; L655-I669 PolarHBondContact N-O 3.25Å; L655-I669 PolarHBondContact O-N 3.04Å; L655-A671 HydrophobicContact CD1-CB 3.7Å; L655-A671 HydrophobicContact CG-CB 3.73Å; L655-I680 HydrophobicContact CD2-CD1 3.78Å; L655-I680 HydrophobicContact CD2-CG2 4.33Å; L655-I680 HydrophobicContact CG-CD1 4.08Å; L655-V683 HydrophobicContact CD2-CG1 3.39Å; L655-Y704 HydrophobicContact CD1-CE1 4.49Å; L655-Y704 HydrophobicContact CD1-CE2 3.75Å
656	R	97.6	Very high	96.1	Very high	37 Å²	37	32 Å²	32	14%	0.14	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	129.4	173.9	-69.5	176	176.9	-165	-5.1	110.4	A629 I647 S648 W658 E668	A629-R656 WeakPolarHBondContact O-CD 3.47Å; A629-R656 PolarHBondContact O-NH1 2.88Å; I647-R656 WeakPolarHBondContact CA-O 3.46Å; S648-R656 PolarHBondContact N-O 2.7Å; S648-R656 PolarHBondContact O-N 3.45Å; S648-R656 PolarHBondContact OG-O 3.28Å; R656-W658 HydrophobicContact CB-CZ2 3.96Å; R656-W658 PolarHBondContact O-NE1 2.91Å; R656-E668 HydrophobicContact CG-CB 4.22Å; R656-E668 HydrophobicContact CG-CG 4.01Å; R656-E668 IonicContact CZ-OE1 3.45Å; R656-E668 VanDerWaalsContact CZ-OE1 3.25Å; R656-E668 IonicContact CZ-OE2 3.06Å; R656-E668 IonicContact NE-OE1 3.8Å; R656-E668 PolarHBondContact NE-OE1 3.34Å; R656-E668 IonicContact NE-OE2 3.72Å; R656-E668 IonicContact NH2-OE1 2.67Å; R656-E668 PolarHBondContact NH2-OE1 2.86Å; R656-E668 IonicContact NH2-OE2 3.29Å; R656-E668 PolarHBondContact NH2-OE2 3.35Å
657	L	96.9	Very high	96	Very high	11 Å²	11	33.7 Å²	33.7	6%	0.058	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	121.9	178.6	-177	74.4	0	0	0	109.4	Y645 I647 V666 Q667 F685 I692	Y645-L657 HydrophobicContact CD1-CD1 4.45Å; Y645-L657 HydrophobicContact CD1-CD2 4.39Å; Y645-L657 HydrophobicContact CD1-CG 4.28Å; Y645-L657 HydrophobicContact CG-CD1 4.47Å; I647-L657 HydrophobicContact CB-CD1 4.33Å; L657-V666 PolarHBondContact O-N 2.97Å; L657-Q667 HydrophobicContact CB-CB 4.37Å; L657-Q667 PolarHBondContact N-O 2.98Å; L657-Q667 PolarHBondContact O-N 3.3Å; L657-F685 HydrophobicContact CD1-CZ 3.87Å; L657-I692 HydrophobicContact CD1-CD1 4.39Å
658	W	96.9	Very high	95.9	Very high	18 Å²	18	38.2 Å²	38.2	7%	0.068	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	139.2	-176	-51.6	83.6	0	0	0	110.2	M627 A629 Y645 L646 S648 R656 T664 C665	M627-W658 HydrophobicContact CE-CE3 4.25Å; M627-W658 HydrophobicContact SD-CD2 4.05Å; M627-W658 HydrophobicContact SD-CE3 3.58Å; M627-W658 VanDerWaalsContact SD-CE3 3.58Å; M627-W658 HydrophobicContact SD-CH2 4.17Å; M627-W658 HydrophobicContact SD-CZ3 3.64Å; A629-W658 HydrophobicContact CB-CH2 4.3Å; A629-W658 HydrophobicContact CB-CZ2 3.82Å; A629-W658 WeakPolarHBondContact O-CZ2 3.45Å; Y645-W658 VanDerWaalsContact CA-O 3.25Å; Y645-W658 WeakPolarHBondContact CA-O 3.48Å; L646-W658 HydrophobicContact CB-CB 4.33Å; L646-W658 PolarHBondContact N-O 2.8Å; L646-W658 PolarHBondContact O-N 2.91Å; S648-W658 PolarHBondContact OG-NE1 3.45Å; R656-W658 HydrophobicContact CB-CZ2 3.96Å; R656-W658 PolarHBondContact O-NE1 2.91Å; W658-T664 WeakPolarHBondContact CA-O 3.41Å; W658-C665 HydrophobicContact CD2-CB 4.27Å; W658-C665 HydrophobicContact CE3-CB 3.86Å; W658-C665 VanDerWaalsContact CE3-N 3.3Å; W658-C665 HydrophobicContact CH2-CB 3.96Å; W658-C665 HydrophobicContact CZ2-CB 4.36Å; W658-C665 HydrophobicContact CZ3-CB 3.7Å
659	N	94.7	Very high	95.8	Very high	28 Å²	28	39.7 Å²	39.7	15%	0.15	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	129.3	162	174.9	-78.7	0	0	0	108.6	Y645 D661 S662 K663 T664 V666	Y645-N659 HydrophobicContact CD1-CB 4.45Å; Y645-N659 HydrophobicContact CE1-CB 4.36Å; N659-D661 WeakPolarHBondContact OD1-CB 3.36Å; N659-D661 PolarHBondContact OD1-N 2.95Å; N659-S662 WeakPolarHBondContact CB-OG 3.3Å; N659-S662 PolarHBondContact OD1-N 3.14Å; N659-S662 PolarHBondContact OD1-OG 2.83Å; N659-S662 VanDerWaalsContact OD1-OG 3.09Å; N659-K663 VanDerWaalsContact O-CA 3.25Å; N659-K663 WeakPolarHBondContact O-CA 3.45Å; N659-K663 PolarHBondContact O-N 3.34Å; N659-T664 PolarHBondContact N-O 3.3Å; N659-V666 HydrophobicContact CB-CG2 3.83Å
660	L	93.7	Very high	95.6	Very high	17 Å²	17	45.3 Å²	45.3	9%	0.089	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-27.2	-172.3	-79.5	165.8	0	0	0	113.7	I605 F615 V639 G643 I644 L646 K663	I605-L660 HydrophobicContact CD1-CD2 3.94Å; F615-L660 HydrophobicContact CE1-CD2 3.67Å; F615-L660 HydrophobicContact CZ-CD2 4.21Å; V639-L660 HydrophobicContact CG1-CD1 3.87Å; G643-L660 VanDerWaalsContact O-CD1 3.28Å; G643-L660 WeakPolarHBondContact O-CD1 3.5Å; I644-L660 PolarHBondContact O-N 2.9Å; L646-L660 HydrophobicContact CB-CD1 4.12Å; L646-L660 HydrophobicContact CB-CD2 3.88Å; L646-L660 HydrophobicContact CB-CG 3.97Å; L646-L660 HydrophobicContact CD2-CD2 4.38Å; L660-K663 PolarHBondContact O-NZ 3.36Å
661	D	92.1	Very high	95.4	Very high	120 Å²	120	45.8 Å²	45.8	64%	0.642	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-57	175.2	-62.7	-52	0	0	0	110.6	N659 K663	N659-D661 WeakPolarHBondContact OD1-CB 3.36Å; N659-D661 PolarHBondContact OD1-N 2.95Å; D661-K663 PolarHBondContact O-NZ 3.41Å
662	S	92.1	Very high	95.3	Very high	65 Å²	65	44.8 Å²	44.8	46%	0.455	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-16.9	-177.2	66.4	0	0	0	0	114.3	N659 T664	N659-S662 WeakPolarHBondContact CB-OG 3.3Å; N659-S662 PolarHBondContact OD1-N 3.14Å; N659-S662 PolarHBondContact OD1-OG 2.83Å; N659-S662 VanDerWaalsContact OD1-OG 3.09Å; S662-T664 PolarHBondContact O-N 2.89Å; S662-T664 PolarHBondContact OG-OG1 2.95Å
663	K	93.6	Very high	95.2	Very high	86 Å²	86	52.2 Å²	52.2	37%	0.374	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.9	27.4	-176.8	-66	141.1	-167	62.3	0	113.5	M627 N659 L660 D661	M627-K663 HydrophobicContact CE-CB 3.62Å; M627-K663 HydrophobicContact CE-CG 4.15Å; M627-K663 WeakPolarHBondContact CE-O 3.27Å; N659-K663 VanDerWaalsContact O-CA 3.25Å; N659-K663 WeakPolarHBondContact O-CA 3.45Å; N659-K663 PolarHBondContact O-N 3.34Å; L660-K663 PolarHBondContact O-NZ 3.36Å; D661-K663 PolarHBondContact O-NZ 3.41Å
664	T	93.8	Very high	95.1	Very high	72 Å²	72	55 Å²	55	44%	0.442	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	138.9	-180	56.5	0	0	0	0	111.8	W658 N659 S662 V666	W658-T664 WeakPolarHBondContact CA-O 3.41Å; N659-T664 PolarHBondContact N-O 3.3Å; S662-T664 PolarHBondContact O-N 2.89Å; S662-T664 PolarHBondContact OG-OG1 2.95Å; T664-V666 PolarHBondContact O-N 3.16Å
665	C	95.1	Very high	94.9	Very high	54 Å²	54	59.1 Å²	59.1	37%	0.365	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	124.6	163.9	-175.1	0	0	0	0	109.4	W658 Q667	W658-C665 HydrophobicContact CD2-CB 4.27Å; W658-C665 HydrophobicContact CE3-CB 3.86Å; W658-C665 VanDerWaalsContact CE3-N 3.3Å; W658-C665 HydrophobicContact CH2-CB 3.96Å; W658-C665 HydrophobicContact CZ2-CB 4.36Å; W658-C665 HydrophobicContact CZ3-CB 3.7Å; C665-Q667 PolarHBondContact SG-O 2.62Å
666	V	94.4	Very high	94.6	Very high	68 Å²	68	63.8 Å²	63.8	41%	0.412	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	-34	-179.5	-178.4	0	0	0	0	110.7	L657 N659 T664	L657-V666 PolarHBondContact O-N 2.97Å; N659-V666 HydrophobicContact CB-CG2 3.83Å; T664-V666 PolarHBondContact O-N 3.16Å
667	Q	95.2	Very high	94.3	Very high	35 Å²	35	68.3 Å²	68.3	16%	0.164	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	141.3	-179.3	-174.5	177.3	-5.7	0	0	111.2	T377 W378 L657 C665 I669	T377-Q667 VanDerWaalsContact CA-OE1 3.28Å; W378-Q667 PolarHBondContact O-NE2 3.32Å; L657-Q667 HydrophobicContact CB-CB 4.37Å; L657-Q667 PolarHBondContact N-O 2.98Å; L657-Q667 PolarHBondContact O-N 3.3Å; C665-Q667 PolarHBondContact SG-O 2.62Å; Q667-I669 HydrophobicContact CG-CD1 4.46Å; Q667-I669 HydrophobicContact CG-CG1 4.02Å
668	E	95.9	Very high	94.2	Very high	102 Å²	102	71 Å²	71	48%	0.477	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	142.3	171	178.2	168.5	-160.2	0	0	109.6	L655 R656	L655-E668 CarbonylContact O-C 3.53Å; L655-E668 WeakPolarHBondContact O-CA 3.49Å; R656-E668 HydrophobicContact CG-CB 4.22Å; R656-E668 HydrophobicContact CG-CG 4.01Å; R656-E668 IonicContact CZ-OE1 3.45Å; R656-E668 VanDerWaalsContact CZ-OE1 3.25Å; R656-E668 IonicContact CZ-OE2 3.06Å; R656-E668 IonicContact NE-OE1 3.8Å; R656-E668 PolarHBondContact NE-OE1 3.34Å; R656-E668 IonicContact NE-OE2 3.72Å; R656-E668 IonicContact NH2-OE1 2.67Å; R656-E668 PolarHBondContact NH2-OE1 2.86Å; R656-E668 IonicContact NH2-OE2 3.29Å; R656-E668 PolarHBondContact NH2-OE2 3.35Å
669	I	95.9	Very high	94.2	Very high	31 Å²	31	70.1 Å²	70.1	16%	0.159	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	111.9	-177.5	-48	176.8	0	0	0	109.5	W378 S654 L655 Q667 A671 Y704	W378-I669 HydrophobicContact CB-CD1 4.33Å; W378-I669 WeakPolarHBondContact O-CD1 3.36Å; S654-I669 CarbonylContact C-O 3.45Å; S654-I669 WeakPolarHBondContact CA-O 3.36Å; L655-I669 HydrophobicContact CB-CB 4.38Å; L655-I669 PolarHBondContact N-O 3.25Å; L655-I669 PolarHBondContact O-N 3.04Å; Q667-I669 HydrophobicContact CG-CD1 4.46Å; Q667-I669 HydrophobicContact CG-CG1 4.02Å; I669-A671 PolarHBondContact O-N 3.44Å; I669-Y704 HydrophobicContact CD1-CD1 4.08Å; I669-Y704 HydrophobicContact CD1-CE1 4.22Å; I669-Y704 HydrophobicContact CG2-CE1 3.9Å
670	T	95.9	Very high	94.3	Very high	118 Å²	118	68.8 Å²	68.8	72%	0.724	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.9	117.8	166.3	-43.9	0	0	0	0	108.9
671	A	93	Very high	94.5	Very high	10 Å²	10	69.3 Å²	69.3	8%	0.083	36%	0.358	C	S	.	.			trans	-114.2	-67.4	-165.7	0	0	0	0	0	112.5	C653 L655 I669 I680 R702 Y704	C653-A671 PolarHBondContact O-N 2.88Å; L655-A671 HydrophobicContact CD1-CB 3.7Å; L655-A671 HydrophobicContact CG-CB 3.73Å; I669-A671 PolarHBondContact O-N 3.44Å; A671-I680 HydrophobicContact CB-CD1 4.26Å; A671-R702 WeakPolarHBondContact O-CD 3.42Å; A671-R702 PolarHBondContact O-NE 3.39Å; A671-R702 PolarHBondContact O-NH2 3.08Å; A671-Y704 VanDerWaalsContact CB-OH 3.32Å; A671-Y704 WeakPolarHBondContact CB-OH 3.46Å
672	H	95.7	Very high	94.8	Very high	8 Å²	8	64 Å²	64	4%	0.037	33%	0.33	C	S	.	.	S	Bend	trans	-99.8	-179.8	-174.4	-66.3	-102.7	0	0	0	111.6	C653 I680 S694 A695 G696 D698 L700 R702	C653-H672 WeakPolarHBondContact CB-O 3.42Å; H672-I680 HydrophobicContact CB-CG1 4Å; H672-S694 PolarHBondContact NE2-O 2.96Å; H672-S694 PolarHBondContact NE2-OG 3.19Å; H672-A695 VanDerWaalsContact CE1-C 3.43Å; H672-G696 PolarHBondContact CE1-N 2.73Å; H672-D698 IonicContact CE1-OD1 2.72Å; H672-D698 IonicContact CG-OD1 2.8Å; H672-D698 IonicContact ND1-OD1 2.87Å; H672-D698 PolarHBondContact ND1-OD1 2.97Å; H672-D698 IonicContact ND1-OD2 3.88Å; H672-L700 PolarHBondContact CE1-O 3.01Å; H672-L700 VanDerWaalsContact CE1-O 3.25Å; H672-R702 PolarHBondContact CE1-NH1 2.92Å; H672-R702 PolarHBondContact ND1-NH1 3.39Å
673	R	94	Very high	95.1	Very high	192 Å²	192	61 Å²	61	73%	0.725	31%	0.309	S	S	*	.			trans	-110	147.9	169.2	-65.4	-178.7	176.2	179.9	-1.3	110	D698	R673-D698 HydrophobicContact CB-CB 4.12Å; R673-D698 PolarHBondContact N-OD2 3.39Å
674	K	94.6	Very high	95.3	Very high	79 Å²	79	58.1 Å²	58.1	34%	0.343	30%	0.298	S	S	.	.			trans	-70.1	135.2	173.1	-142.9	170.7	-165.6	-175.1	0	110	D632 H651 C653 E677 E678 A679	D632-K674 IonicContact OD2-NZ 3.91Å; D632-K674 PolarHBondContact OD2-NZ 3.41Å; H651-K674 WeakPolarHBondContact O-CE 3.37Å; C653-K674 PolarHBondContact SG-N 3.01Å; C653-K674 VanDerWaalsContact SG-N 3.38Å; K674-E677 WeakPolarHBondContact CE-O 3.45Å; K674-E677 VanDerWaalsContact CE-OE2 3.28Å; K674-E677 WeakPolarHBondContact CE-OE2 3.38Å; K674-E677 IonicContact NZ-OE2 3.33Å; K674-E677 PolarHBondContact NZ-OE2 3.05Å; K674-E678 CarbonylContact C-O 3.56Å; K674-E678 WeakPolarHBondContact CA-O 3.42Å; K674-E678 WeakPolarHBondContact CG-O 3.32Å; K674-A679 HydrophobicContact CG-CB 4.33Å
675	K	93.9	Very high	95.4	Very high	89 Å²	89	55.3 Å²	55.3	39%	0.387	28%	0.28	S	S	.	.	B	Isolated β-bridge	trans	-141.8	124	174.9	174.6	-165.7	173.7	-177.2	0	106.6	D389 E677 E678 A697	D389-K675 IonicContact OD1-NZ 3.75Å; D389-K675 PolarHBondContact OD1-NZ 3.14Å; D389-K675 IonicContact OD2-NZ 2.75Å; K675-E677 VanDerWaalsContact C-N 3.26Å; K675-E677 PolarHBondContact O-N 3.17Å; K675-E678 PolarHBondContact N-O 2.79Å; K675-E678 WeakPolarHBondContact O-CA 3.43Å; K675-E678 PolarHBondContact O-N 3.27Å; K675-E678 VanDerWaalsContact O-O 3.12Å; K675-A697 HydrophobicContact CB-CB 4.01Å; K675-A697 HydrophobicContact CD-CB 4.45Å; K675-A697 WeakPolarHBondContact CD-O 3.27Å
676	S	91.1	Very high	95.4	Very high	99 Å²	99	53 Å²	53	69%	0.692	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.5	38.4	-179.4	-52.8	0	0	0	0	114	E678	S676-E678 PolarHBondContact O-N 2.79Å; S676-E678 VanDerWaalsContact O-N 3.1Å
677	E	91.8	Very high	95.3	Very high	132 Å²	132	52.9 Å²	52.9	62%	0.617	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	61	-3	-167.5	-64.5	-54.9	98	0	0	117.3	K674 K675	K674-E677 WeakPolarHBondContact CE-O 3.45Å; K674-E677 VanDerWaalsContact CE-OE2 3.28Å; K674-E677 WeakPolarHBondContact CE-OE2 3.38Å; K674-E677 IonicContact NZ-OE2 3.33Å; K674-E677 PolarHBondContact NZ-OE2 3.05Å; K675-E677 VanDerWaalsContact C-N 3.26Å; K675-E677 PolarHBondContact O-N 3.17Å
678	E	94.5	Very high	95	Very high	68 Å²	68	55.4 Å²	55.4	32%	0.318	29%	0.286	S	S	.	.	B	Isolated β-bridge	trans	-90.3	160	172.3	-63.9	170.4	113.8	0	0	111.3	H651 K674 K675 S676 Y681 A697	H651-E678 WeakPolarHBondContact ND1-CA 3.41Å; K674-E678 CarbonylContact C-O 3.56Å; K674-E678 WeakPolarHBondContact CA-O 3.42Å; K674-E678 WeakPolarHBondContact CG-O 3.32Å; K675-E678 PolarHBondContact N-O 2.79Å; K675-E678 WeakPolarHBondContact O-CA 3.43Å; K675-E678 PolarHBondContact O-N 3.27Å; K675-E678 VanDerWaalsContact O-O 3.12Å; S676-E678 PolarHBondContact O-N 2.79Å; S676-E678 VanDerWaalsContact O-N 3.1Å; E678-Y681 HydrophobicContact CB-CE1 3.94Å; E678-Y681 VanDerWaalsContact CD-OH 3.32Å; E678-Y681 HydrophobicContact CG-CE1 4.21Å; E678-Y681 WeakPolarHBondContact OE1-CE1 3.42Å; E678-Y681 PolarHBondContact OE1-OH 2.93Å; E678-Y681 PolarHBondContact OE2-OH 3.04Å; E678-A697 HydrophobicContact CB-CB 3.99Å
679	A	96.4	Very high	94.7	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.277	C	S	.	.			trans	-150.3	-65.6	-178.7	0	0	0	0	0	114.3	H651 C653 K674 G696 A697	H651-A679 PolarHBondContact ND1-N 3.11Å; C653-A679 VanDerWaalsContact SG-CB 3.57Å; K674-A679 HydrophobicContact CG-CB 4.33Å; A679-G696 CarbonylContact O-C 3.48Å; A679-G696 WeakPolarHBondContact O-CA 3.26Å; A679-A697 PolarHBondContact O-N 3.41Å
680	I	98.1	Very high	94.4	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	128.3	177.3	-55.3	-176.3	0	0	0	107.9	T635 S654 L655 A671 H672 V683 A695	T635-I680 VanDerWaalsContact CB-O 3.31Å; T635-I680 WeakPolarHBondContact CB-O 3.36Å; T635-I680 WeakPolarHBondContact CG2-O 3.42Å; T635-I680 PolarHBondContact OG1-O 3.09Å; S654-I680 VanDerWaalsContact O-CD1 3.3Å; S654-I680 WeakPolarHBondContact O-CD1 3.41Å; L655-I680 HydrophobicContact CD2-CD1 3.78Å; L655-I680 HydrophobicContact CD2-CG2 4.33Å; L655-I680 HydrophobicContact CG-CD1 4.08Å; A671-I680 HydrophobicContact CB-CD1 4.26Å; H672-I680 HydrophobicContact CB-CG1 4Å; I680-V683 HydrophobicContact CG2-CG1 4.09Å; I680-A695 CarbonylContact C-O 3.46Å; I680-A695 WeakPolarHBondContact CA-O 3.29Å; I680-A695 WeakPolarHBondContact CG2-O 3.47Å
681	Y	98	Very high	94.3	Very high	27 Å²	27	50 Å²	50	11%	0.106	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	-36.7	179.8	-68.5	-48.8	0	0	0	112.9	V391 S636 E678 A695 A697	V391-Y681 WeakPolarHBondContact O-CD2 3.26Å; S636-Y681 WeakPolarHBondContact CB-O 3.23Å; E678-Y681 HydrophobicContact CB-CE1 3.94Å; E678-Y681 VanDerWaalsContact CD-OH 3.32Å; E678-Y681 HydrophobicContact CG-CE1 4.21Å; E678-Y681 WeakPolarHBondContact OE1-CE1 3.42Å; E678-Y681 PolarHBondContact OE1-OH 2.93Å; E678-Y681 PolarHBondContact OE2-OH 3.04Å; Y681-A695 PolarHBondContact N-O 3.33Å; Y681-A697 HydrophobicContact CE2-CB 3.84Å
682	D	98.3	Very high	94.5	Very high	9 Å²	9	49.7 Å²	49.7	5%	0.048	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	152.9	-175.9	-159.7	34.9	0	0	0	113.1	A393 L394 K594 S694 A695	A393-D682 WeakPolarHBondContact CA-OD2 3.44Å; L394-D682 PolarHBondContact N-OD2 2.74Å; K594-D682 IonicContact NZ-OD1 2.83Å; K594-D682 PolarHBondContact NZ-OD1 2.94Å; D682-S694 CarbonylContact O-C 3.57Å; D682-S694 WeakPolarHBondContact O-CA 3.4Å; D682-A695 PolarHBondContact N-O 2.83Å; D682-A695 PolarHBondContact O-N 3.12Å
683	V	98.2	Very high	94.6	Very high	3 Å²	3	49.3 Å²	49.3	2%	0.018	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	143.8	179.6	-62.9	0	0	0	0	109.3	A638 I647 L655 I680 A693	A638-V683 HydrophobicContact CB-CG2 4.27Å; A638-V683 WeakPolarHBondContact CB-O 3.18Å; I647-V683 HydrophobicContact CG2-CB 4.06Å; I647-V683 HydrophobicContact CG2-CG2 3.86Å; L655-V683 HydrophobicContact CD2-CG1 3.39Å; I680-V683 HydrophobicContact CG2-CG1 4.09Å; V683-A693 WeakPolarHBondContact CA-O 3.41Å
684	T	97.4	Very high	94.8	Very high	24 Å²	24	40.2 Å²	40.2	15%	0.147	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	144.9	-178.3	-172.7	0	0	0	0	113.1	L394 F396 I692 A693	L394-T684 HydrophobicContact CB-CG2 3.51Å; L394-T684 HydrophobicContact CD1-CG2 4.09Å; L394-T684 HydrophobicContact CG-CG2 4.48Å; F396-T684 HydrophobicContact CD2-CG2 3.74Å; F396-T684 HydrophobicContact CE2-CG2 3.82Å; T684-I692 WeakPolarHBondContact O-CA 3.47Å; T684-A693 HydrophobicContact CG2-CB 4.09Å; T684-A693 PolarHBondContact N-O 2.85Å; T684-A693 PolarHBondContact O-N 3.34Å
685	F	96.4	Very high	94.9	Very high	14 Å²	14	36.4 Å²	36.4	6%	0.061	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	144.3	168.4	-79.8	-87.7	0	0	0	110.1	W378 A638 V639 D640 I647 L657 I692	W378-F685 HydrophobicContact CZ2-CE1 4.35Å; A638-F685 HydrophobicContact CB-CD2 4.03Å; A638-F685 WeakPolarHBondContact O-CE2 3.42Å; V639-F685 VanDerWaalsContact C-CD2 3.49Å; D640-F685 HydrophobicContact CB-CD1 4.19Å; D640-F685 HydrophobicContact CB-CD2 4.4Å; D640-F685 HydrophobicContact CB-CE1 3.96Å; D640-F685 HydrophobicContact CB-CE2 4.17Å; D640-F685 HydrophobicContact CB-CG 4.42Å; D640-F685 HydrophobicContact CB-CZ 3.95Å; I647-F685 HydrophobicContact CB-CE2 3.97Å; I647-F685 HydrophobicContact CB-CZ 4.26Å; I647-F685 HydrophobicContact CG2-CD2 3.96Å; I647-F685 HydrophobicContact CG2-CE2 3.53Å; I647-F685 HydrophobicContact CG2-CZ 4.22Å; L657-F685 HydrophobicContact CD1-CZ 3.87Å; F685-I692 HydrophobicContact CD1-CD1 3.98Å; F685-I692 HydrophobicContact CD1-CG1 3.62Å; F685-I692 HydrophobicContact CE1-CD1 3.48Å; F685-I692 VanDerWaalsContact CE1-CD1 3.48Å; F685-I692 HydrophobicContact CE1-CG1 3.69Å; F685-I692 HydrophobicContact CG-CG1 4.31Å; F685-I692 HydrophobicContact CZ-CD1 3.95Å; F685-I692 HydrophobicContact CZ-CG1 4.42Å
686	H	95.5	Very high	95.1	Very high	4 Å²	4	32.2 Å²	32.2	2%	0.019	18%	0.183	C	C	.	.			trans	-74.1	131.6	168.8	-173.8	-35.7	0	0	0	110.3	F396 H397 P398 S688 K689 Y691	F396-H686 HydrophobicContact CB-CB 4.19Å; F396-H686 HydrophobicContact CD1-CB 4.07Å; F396-H686 AromaticContact CD1-CD2 3.64Å; F396-H686 VanDerWaalsContact CD2-CA 3.5Å; F396-H686 HydrophobicContact CD2-CB 3.73Å; F396-H686 HydrophobicContact CE1-CB 4.35Å; F396-H686 HydrophobicContact CE2-CB 4.03Å; F396-H686 HydrophobicContact CG-CB 3.74Å; F396-H686 AromaticContact CG-CG 3.96Å; F396-H686 HydrophobicContact CZ-CB 4.33Å; H397-H686 PolarHBondContact O-CE1 3.28Å; P398-H686 PolarHBondContact O-CE1 2.72Å; H686-S688 PolarHBondContact CE1-OG 2.73Å; H686-S688 VanDerWaalsContact CE1-OG 3.28Å; H686-S688 PolarHBondContact ND1-N 3.3Å; H686-S688 PolarHBondContact ND1-OG 3.23Å; H686-S688 PolarHBondContact O-N 2.78Å; H686-K689 PolarHBondContact CE1-NZ 2.86Å; H686-K689 WeakPolarHBondContact NE2-CD 3.24Å; H686-K689 PolarHBondContact NE2-NZ 2.91Å; H686-Y691 WeakPolarHBondContact CB-O 3.25Å; H686-Y691 AromaticContact CD2-CD2 3.8Å; H686-Y691 PolarHBondContact N-O 2.71Å
687	P	91.7	Very high	95.4	Very high	67 Å²	67	27.5 Å²	27.5	44%	0.435	15%	0.15	S	C	.	.	S	Bend	trans	-58.2	-2.9	-175.4	-31.5	37	0	0	0	119	P398	P398-P687 HydrophobicContact CB-CB 4.47Å; P398-P687 HydrophobicContact CB-CG 4.37Å
688	S	89.2	Confident	95.6	Very high	87 Å²	87	22.7 Å²	22.7	61%	0.608	13%	0.129	S	C	*	.	S	Bend	trans	-161.9	-27.2	-166.9	59	0	0	0	0	114.8	P398 H686	P398-S688 PolarHBondContact O-OG 2.76Å; H686-S688 PolarHBondContact CE1-OG 2.73Å; H686-S688 VanDerWaalsContact CE1-OG 3.28Å; H686-S688 PolarHBondContact ND1-N 3.3Å; H686-S688 PolarHBondContact ND1-OG 3.23Å; H686-S688 PolarHBondContact O-N 2.78Å
689	K	89.4	Confident	95.7	Very high	67 Å²	67	20.3 Å²	20.3	29%	0.291	12%	0.121	S	C	.	.	S	Bend	trans	-104.2	159.2	178.6	-57.2	-173.1	-165.2	71	0	110.7	V399 E400 P401 H686 Y691	V399-K689 PolarHBondContact O-NZ 3.25Å; E400-K689 VanDerWaalsContact C-NZ 3.32Å; E400-K689 PolarHBondContact O-NZ 3.09Å; E400-K689 VanDerWaalsContact O-NZ 3.16Å; P401-K689 HydrophobicContact CB-CD 4.49Å; H686-K689 PolarHBondContact CE1-NZ 2.86Å; H686-K689 WeakPolarHBondContact NE2-CD 3.24Å; H686-K689 PolarHBondContact NE2-NZ 2.91Å; K689-Y691 HydrophobicContact CB-CD2 3.77Å; K689-Y691 HydrophobicContact CB-CE2 4.42Å; K689-Y691 HydrophobicContact CD-CD2 3.95Å; K689-Y691 HydrophobicContact CD-CE2 3.95Å; K689-Y691 PolarHBondContact O-N 3.07Å
690	A	90	Very high	95.6	Very high	41 Å²	41	21.3 Å²	21.3	34%	0.339	13%	0.126	S	C	.	.	S	Bend	trans	-72.6	74.7	164.2	0	0	0	0	0	110.8	W378	W378-A690 HydrophobicContact CH2-CB 4.08Å; W378-A690 VanDerWaalsContact CZ3-C 3.44Å; W378-A690 HydrophobicContact CZ3-CB 4.33Å
691	Y	93.6	Very high	95.6	Very high	30 Å²	30	21.3 Å²	21.3	12%	0.118	13%	0.126	C	C	.	.			trans	-133.5	135.5	167.6	-78.5	-67	0	0	0	109.3	K381 F396 H686 K689 V703 Y704 V705	K381-Y691 HydrophobicContact CD-CE1 4.21Å; K381-Y691 PolarHBondContact NZ-OH 3.2Å; F396-Y691 HydrophobicContact CE1-CG 4.41Å; H686-Y691 WeakPolarHBondContact CB-O 3.25Å; H686-Y691 AromaticContact CD2-CD2 3.8Å; H686-Y691 PolarHBondContact N-O 2.71Å; K689-Y691 HydrophobicContact CB-CD2 3.77Å; K689-Y691 HydrophobicContact CB-CE2 4.42Å; K689-Y691 HydrophobicContact CD-CD2 3.95Å; K689-Y691 HydrophobicContact CD-CE2 3.95Å; K689-Y691 PolarHBondContact O-N 3.07Å; Y691-V703 HydrophobicContact CD1-CG1 3.62Å; Y691-V703 HydrophobicContact CE1-CG1 4.16Å; Y691-Y704 WeakPolarHBondContact CA-O 3.38Å; Y691-V705 HydrophobicContact CD1-CG1 3.37Å; Y691-V705 HydrophobicContact CE1-CG1 3.2Å; Y691-V705 HydrophobicContact CG-CG1 4.38Å
692	I	96.3	Very high	95.5	Very high	4 Å²	4	21.6 Å²	21.6	2%	0.021	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	148.3	165.9	-74	174.2	0	0	0	107.2	W378 I647 L657 T684 F685 V703 Y704	W378-I692 HydrophobicContact CD2-CD1 3.55Å; W378-I692 HydrophobicContact CD2-CG1 4.14Å; W378-I692 VanDerWaalsContact CE2-CD1 3.46Å; W378-I692 HydrophobicContact CE3-CB 4.15Å; W378-I692 HydrophobicContact CE3-CD1 3.89Å; W378-I692 HydrophobicContact CE3-CG1 3.95Å; W378-I692 HydrophobicContact CG-CD1 4.02Å; W378-I692 HydrophobicContact CH2-CD1 3.97Å; W378-I692 HydrophobicContact CH2-CG1 3.72Å; W378-I692 HydrophobicContact CZ2-CD1 3.68Å; W378-I692 HydrophobicContact CZ2-CG1 3.96Å; W378-I692 HydrophobicContact CZ3-CB 4.13Å; W378-I692 HydrophobicContact CZ3-CD1 4.1Å; W378-I692 HydrophobicContact CZ3-CG1 3.75Å; I647-I692 HydrophobicContact CD1-CD1 4.22Å; I647-I692 HydrophobicContact CD1-CG2 3.54Å; L657-I692 HydrophobicContact CD1-CD1 4.39Å; T684-I692 WeakPolarHBondContact O-CA 3.47Å; F685-I692 HydrophobicContact CD1-CD1 3.98Å; F685-I692 HydrophobicContact CD1-CG1 3.62Å; F685-I692 HydrophobicContact CE1-CD1 3.48Å; F685-I692 VanDerWaalsContact CE1-CD1 3.48Å; F685-I692 HydrophobicContact CE1-CG1 3.69Å; F685-I692 HydrophobicContact CG-CG1 4.31Å; F685-I692 HydrophobicContact CZ-CD1 3.95Å; F685-I692 HydrophobicContact CZ-CG1 4.42Å; I692-V703 CarbonylContact O-C 3.56Å; I692-V703 WeakPolarHBondContact O-CA 3.36Å; I692-Y704 HydrophobicContact CG2-CD2 4.24Å; I692-Y704 PolarHBondContact N-O 3.39Å; I692-Y704 VanDerWaalsContact N-O 3.16Å; I692-Y704 PolarHBondContact O-N 3.29Å
693	A	97.8	Very high	95.5	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	153.4	169	0	0	0	0	0	112.2	L394 F396 L403 V683 T684 R702 V703	L394-A693 HydrophobicContact CD1-CB 3.75Å; F396-A693 HydrophobicContact CE2-CB 3.71Å; F396-A693 HydrophobicContact CZ-CB 3.6Å; L403-A693 HydrophobicContact CD1-CB 4.16Å; L403-A693 HydrophobicContact CD2-CB 4.08Å; V683-A693 WeakPolarHBondContact CA-O 3.41Å; T684-A693 HydrophobicContact CG2-CB 4.09Å; T684-A693 PolarHBondContact N-O 2.85Å; T684-A693 PolarHBondContact O-N 3.34Å; A693-R702 CarbonylContact C-O 3.47Å; A693-R702 WeakPolarHBondContact CA-O 3.39Å; A693-R702 WeakPolarHBondContact CB-O 3.33Å; A693-V703 HydrophobicContact CB-CG2 4.23Å
694	S	98.3	Very high	95.3	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	148.8	174.1	66.5	0	0	0	0	111.5	L394 H672 D682 A701 R702	L394-S694 VanDerWaalsContact CD1-C 3.41Å; H672-S694 PolarHBondContact NE2-O 2.96Å; H672-S694 PolarHBondContact NE2-OG 3.19Å; D682-S694 CarbonylContact O-C 3.57Å; D682-S694 WeakPolarHBondContact O-CA 3.4Å; S694-A701 CarbonylContact O-C 3.44Å; S694-A701 VanDerWaalsContact O-CA 3.3Å; S694-A701 WeakPolarHBondContact O-CA 3.38Å; S694-R702 PolarHBondContact N-O 3.13Å; S694-R702 PolarHBondContact O-N 3.14Å
695	A	98	Very high	95	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	152.3	-178	0	0	0	0	0	110.9	V391 L394 H672 I680 Y681 D682	V391-A695 HydrophobicContact CB-CB 3.89Å; V391-A695 HydrophobicContact CG1-CB 3.68Å; V391-A695 VanDerWaalsContact O-CB 3.28Å; V391-A695 WeakPolarHBondContact O-CB 3.38Å; L394-A695 HydrophobicContact CD1-CB 3.68Å; L394-A695 HydrophobicContact CD2-CB 3.86Å; L394-A695 HydrophobicContact CG-CB 3.58Å; H672-A695 VanDerWaalsContact CE1-C 3.43Å; I680-A695 CarbonylContact C-O 3.46Å; I680-A695 WeakPolarHBondContact CA-O 3.29Å; I680-A695 WeakPolarHBondContact CG2-O 3.47Å; Y681-A695 PolarHBondContact N-O 3.33Å; D682-A695 PolarHBondContact N-O 2.83Å; D682-A695 PolarHBondContact O-N 3.12Å
696	G	97.1	Very high	94.9	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.6	176.8	-171.8	0	0	0	0	0	116.5	V391 H672 A679 D698 A699 L700	V391-G696 PolarHBondContact N-O 2.99Å; V391-G696 PolarHBondContact O-N 2.86Å; H672-G696 PolarHBondContact CE1-N 2.73Å; A679-G696 CarbonylContact O-C 3.48Å; A679-G696 WeakPolarHBondContact O-CA 3.26Å; G696-D698 PolarHBondContact O-N 2.87Å; G696-A699 PolarHBondContact O-N 3.5Å; G696-L700 PolarHBondContact N-O 3.1Å
697	A	97.3	Very high	94.9	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.008	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-16.1	-177.8	0	0	0	0	0	113	K675 E678 A679 Y681 A699	K675-A697 HydrophobicContact CB-CB 4.01Å; K675-A697 HydrophobicContact CD-CB 4.45Å; K675-A697 WeakPolarHBondContact CD-O 3.27Å; E678-A697 HydrophobicContact CB-CB 3.99Å; A679-A697 PolarHBondContact O-N 3.41Å; Y681-A697 HydrophobicContact CE2-CB 3.84Å; A697-A699 PolarHBondContact O-N 3.29Å
698	D	96.1	Very high	95	Very high	31 Å²	31	21.8 Å²	21.8	17%	0.166	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	11.6	174.6	70.6	-14.1	0	0	0	114.7	H672 R673 G696 L700 R702	H672-D698 IonicContact CE1-OD1 2.72Å; H672-D698 IonicContact CG-OD1 2.8Å; H672-D698 IonicContact ND1-OD1 2.87Å; H672-D698 PolarHBondContact ND1-OD1 2.97Å; H672-D698 IonicContact ND1-OD2 3.88Å; R673-D698 HydrophobicContact CB-CB 4.12Å; R673-D698 PolarHBondContact N-OD2 3.39Å; G696-D698 PolarHBondContact O-N 2.87Å; D698-L700 WeakPolarHBondContact O-CG 3.28Å; D698-L700 PolarHBondContact O-N 2.83Å; D698-L700 WeakPolarHBondContact OD1-CB 3.5Å; D698-R702 IonicContact OD1-NH1 3.71Å; D698-R702 PolarHBondContact OD1-NH1 3.2Å; D698-R702 IonicContact OD2-CZ 3.19Å; D698-R702 VanDerWaalsContact OD2-CZ 3.28Å; D698-R702 IonicContact OD2-NH1 3.53Å; D698-R702 PolarHBondContact OD2-NH1 2.95Å; D698-R702 IonicContact OD2-NH2 2.73Å; D698-R702 PolarHBondContact OD2-NH2 3.22Å
699	A	96	Very high	95.4	Very high	18 Å²	18	17.9 Å²	17.9	15%	0.149	10%	0.099	C	C	.	.	S	Bend	trans	61.4	20.4	-176.4	0	0	0	0	0	114.9	D389 G696 A697	D389-A699 WeakPolarHBondContact O-CA 3.45Å; D389-A699 WeakPolarHBondContact O-CB 3.49Å; G696-A699 PolarHBondContact O-N 3.5Å; A697-A699 PolarHBondContact O-N 3.29Å
700	L	95.9	Very high	95.8	Very high	20 Å²	20	14.9 Å²	14.9	11%	0.105	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	150.1	-178.2	-56.1	177.5	0	0	0	111.6	T383 R385 H672 G696 D698	T383-L700 HydrophobicContact CG2-CB 4.45Å; T383-L700 HydrophobicContact CG2-CD1 3.9Å; T383-L700 HydrophobicContact CG2-CD2 4.37Å; T383-L700 HydrophobicContact CG2-CG 4.47Å; R385-L700 HydrophobicContact CB-CD2 4.03Å; R385-L700 HydrophobicContact CG-CD2 3.79Å; R385-L700 VanDerWaalsContact NH1-CD1 3.26Å; H672-L700 PolarHBondContact CE1-O 3.01Å; H672-L700 VanDerWaalsContact CE1-O 3.25Å; G696-L700 PolarHBondContact N-O 3.1Å; D698-L700 WeakPolarHBondContact O-CG 3.28Å; D698-L700 PolarHBondContact O-N 2.83Å; D698-L700 WeakPolarHBondContact OD1-CB 3.5Å
701	A	97.3	Very high	96.1	Very high	1 Å²	1	13.1 Å²	13.1	1%	0.008	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	145.4	157.1	0	0	0	0	0	109.4	L384 V391 L394 T405 S694	L384-A701 HydrophobicContact CB-CB 4.21Å; L384-A701 WeakPolarHBondContact CB-O 3.49Å; L384-A701 HydrophobicContact CD1-CB 4.11Å; L384-A701 PolarHBondContact N-O 3.17Å; L384-A701 PolarHBondContact O-N 3.24Å; V391-A701 HydrophobicContact CG1-CB 4.47Å; L394-A701 HydrophobicContact CD2-CB 4.17Å; T405-A701 HydrophobicContact CG2-CB 4.03Å; S694-A701 CarbonylContact O-C 3.44Å; S694-A701 VanDerWaalsContact O-CA 3.3Å; S694-A701 WeakPolarHBondContact O-CA 3.38Å
702	R	96.4	Very high	96.3	Very high	33 Å²	33	11.9 Å²	11.9	13%	0.125	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	144.1	-179.7	-69.9	172.8	176.9	82.1	-14.9	109.9	Y382 T383 A671 H672 A693 S694 D698 Y704	Y382-R702 WeakPolarHBondContact O-CA 3.24Å; T383-R702 HydrophobicContact CG2-CG 4.22Å; A671-R702 WeakPolarHBondContact O-CD 3.42Å; A671-R702 PolarHBondContact O-NE 3.39Å; A671-R702 PolarHBondContact O-NH2 3.08Å; H672-R702 PolarHBondContact CE1-NH1 2.92Å; H672-R702 PolarHBondContact ND1-NH1 3.39Å; A693-R702 CarbonylContact C-O 3.47Å; A693-R702 WeakPolarHBondContact CA-O 3.39Å; A693-R702 WeakPolarHBondContact CB-O 3.33Å; S694-R702 PolarHBondContact N-O 3.13Å; S694-R702 PolarHBondContact O-N 3.14Å; D698-R702 IonicContact OD1-NH1 3.71Å; D698-R702 PolarHBondContact OD1-NH1 3.2Å; D698-R702 IonicContact OD2-CZ 3.19Å; D698-R702 VanDerWaalsContact OD2-CZ 3.28Å; D698-R702 IonicContact OD2-NH1 3.53Å; D698-R702 PolarHBondContact OD2-NH1 2.95Å; D698-R702 IonicContact OD2-NH2 2.73Å; D698-R702 PolarHBondContact OD2-NH2 3.22Å; R702-Y704 HydrophobicContact CB-CE2 3.72Å; R702-Y704 WeakPolarHBondContact CD-OH 3.43Å
703	V	96.7	Very high	96.3	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	137.2	-178.8	-176.5	0	0	0	0	110.2	K381 Y382 L384 F396 L403 L417 Y691 I692 A693	K381-V703 PolarHBondContact N-O 3.48Å; Y382-V703 HydrophobicContact CD2-CB 4.13Å; Y382-V703 HydrophobicContact CD2-CG1 4.26Å; Y382-V703 PolarHBondContact N-O 3.39Å; Y382-V703 PolarHBondContact O-N 3Å; L384-V703 HydrophobicContact CD1-CG2 4.07Å; L384-V703 HydrophobicContact CG-CG2 4.48Å; F396-V703 HydrophobicContact CZ-CG1 4.45Å; L403-V703 HydrophobicContact CD2-CG2 4.06Å; L417-V703 HydrophobicContact CD1-CG1 4.19Å; L417-V703 HydrophobicContact CD2-CG2 4.23Å; Y691-V703 HydrophobicContact CD1-CG1 3.62Å; Y691-V703 HydrophobicContact CE1-CG1 4.16Å; I692-V703 CarbonylContact O-C 3.56Å; I692-V703 WeakPolarHBondContact O-CA 3.36Å; A693-V703 HydrophobicContact CB-CG2 4.23Å
704	Y	95	Very high	96.2	Very high	3 Å²	3	13.6 Å²	13.6	1%	0.012	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	151.4	-172	-53.9	-99.7	0	0	0	111.5	N379 P380 L655 I669 A671 Y691 I692 R702	N379-Y704 VanDerWaalsContact O-CA 3.25Å; N379-Y704 WeakPolarHBondContact O-CA 3.22Å; P380-Y704 HydrophobicContact CB-CD1 3.95Å; P380-Y704 HydrophobicContact CB-CE1 3.73Å; P380-Y704 HydrophobicContact CG-CE1 4.42Å; L655-Y704 HydrophobicContact CD1-CE1 4.49Å; L655-Y704 HydrophobicContact CD1-CE2 3.75Å; I669-Y704 HydrophobicContact CD1-CD1 4.08Å; I669-Y704 HydrophobicContact CD1-CE1 4.22Å; I669-Y704 HydrophobicContact CG2-CE1 3.9Å; A671-Y704 VanDerWaalsContact CB-OH 3.32Å; A671-Y704 WeakPolarHBondContact CB-OH 3.46Å; Y691-Y704 WeakPolarHBondContact CA-O 3.38Å; I692-Y704 HydrophobicContact CG2-CD2 4.24Å; I692-Y704 PolarHBondContact N-O 3.39Å; I692-Y704 VanDerWaalsContact N-O 3.16Å; I692-Y704 PolarHBondContact O-N 3.29Å; R702-Y704 HydrophobicContact CB-CE2 3.72Å; R702-Y704 WeakPolarHBondContact CD-OH 3.43Å
705	V	90.6	Very high	96	Very high	56 Å²	56	14.8 Å²	14.8	34%	0.339	8%	0.083	S	C	.	.			trans	-137.7	0	176.4	-64.8	0	0	0	0	114	W378 N379 K381 Y691	W378-V705 CarbonylContact C-O 3.58Å; W378-V705 VanDerWaalsContact CA-O 3.32Å; W378-V705 WeakPolarHBondContact CA-O 3.25Å; N379-V705 PolarHBondContact N-O 3.21Å; N379-V705 PolarHBondContact O-N 3.14Å; N379-V705 VanDerWaalsContact O-N 3.09Å; K381-V705 HydrophobicContact CB-CG2 4.16Å; K381-V705 HydrophobicContact CD-CB 4.44Å; K381-V705 HydrophobicContact CD-CG1 3.67Å; K381-V705 HydrophobicContact CD-CG2 3.89Å; K381-V705 HydrophobicContact CG-CG2 4.26Å; Y691-V705 HydrophobicContact CD1-CG1 3.37Å; Y691-V705 HydrophobicContact CE1-CG1 3.2Å; Y691-V705 HydrophobicContact CG-CG1 4.38Å

Retrieved 705 of 705 residues in 1374 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).